smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(-c2n[nH]c([C@H](C)[NH3+])n2)cc(OC)c1OC ZINC000082510301 178076491 /nfs/dbraw/zinc/07/64/91/178076491.db2.gz STODMWSQRKWEED-ZETCQYMHSA-N 1 2 278.312 1.517 40 0 CDABLO COC[C@H]1CN(C(=O)[C@@H]2CC=CCC2)Cc2[nH+]cn(C)c21 ZINC000096044801 185071306 /nfs/dbraw/zinc/07/13/06/185071306.db2.gz PGHWEOWLYBDVAY-CHWSQXEVSA-N 1 2 289.379 1.849 40 0 CDABLO CC(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1ccc(C)o1)CCO2 ZINC000096049098 185072549 /nfs/dbraw/zinc/07/25/49/185072549.db2.gz OWNHKUYXZFXBMO-INIZCTEOSA-N 1 2 292.379 1.801 40 0 CDABLO CC(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1ccc(C)o1)CCO2 ZINC000096049098 185072551 /nfs/dbraw/zinc/07/25/51/185072551.db2.gz OWNHKUYXZFXBMO-INIZCTEOSA-N 1 2 292.379 1.801 40 0 CDABLO CO[C@@]1(CCC(=O)N(C)C)CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000585276406 342256209 /nfs/dbraw/zinc/25/62/09/342256209.db2.gz OIZPBLMLUIUUMO-OAHLLOKOSA-N 1 2 294.399 1.259 40 0 CDABLO CO[C@@]1(CCC(=O)N(C)C)CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000585276406 342256210 /nfs/dbraw/zinc/25/62/10/342256210.db2.gz OIZPBLMLUIUUMO-OAHLLOKOSA-N 1 2 294.399 1.259 40 0 CDABLO CO[C@@H]1CCOC2(C[NH+](Cc3cccc(C)n3)C2)C1 ZINC000247860953 362136515 /nfs/dbraw/zinc/13/65/15/362136515.db2.gz GGILXRQPQSPMPP-CQSZACIVSA-N 1 2 262.353 1.770 40 0 CDABLO COC[C@H]1CN(C(=O)c2cc(C)oc2C)Cc2c[nH+]cn21 ZINC000247896374 362138252 /nfs/dbraw/zinc/13/82/52/362138252.db2.gz UXWOMFXXKZKMCO-CYBMUJFWSA-N 1 2 289.335 1.936 40 0 CDABLO CCOc1ccc([C@@H]([NH3+])c2nnc[nH]2)cc1OCC ZINC000087878901 362163583 /nfs/dbraw/zinc/16/35/83/362163583.db2.gz LPMCBHLKXFPGLH-GFCCVEGCSA-N 1 2 262.313 1.650 40 0 CDABLO Cc1ccnc([C@H]2CN(c3cc(C)[nH+]cn3)CCO2)n1 ZINC000257249336 362581342 /nfs/dbraw/zinc/58/13/42/362581342.db2.gz JHUBAOLXTCCRII-GFCCVEGCSA-N 1 2 271.324 1.461 40 0 CDABLO C[N@H+](Cc1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000065521660 363303371 /nfs/dbraw/zinc/30/33/71/363303371.db2.gz STNAQMSPSVCRHG-GFCCVEGCSA-N 1 2 297.376 1.077 40 0 CDABLO C[N@@H+](Cc1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000065521660 363303375 /nfs/dbraw/zinc/30/33/75/363303375.db2.gz STNAQMSPSVCRHG-GFCCVEGCSA-N 1 2 297.376 1.077 40 0 CDABLO O=C(C[NH+]1CCC(O)CC1)Nc1cccc(F)c1 ZINC000047865972 356746895 /nfs/dbraw/zinc/74/68/95/356746895.db2.gz BKIBQJISOPEMAN-UHFFFAOYSA-N 1 2 252.289 1.221 40 0 CDABLO COC[C@H]1Cn2ccnc2C[N@H+](Cc2cccnc2)C1 ZINC000096059078 358707506 /nfs/dbraw/zinc/70/75/06/358707506.db2.gz VSPIAIQDGXGGNY-CQSZACIVSA-N 1 2 272.352 1.557 40 0 CDABLO COC[C@H]1Cn2ccnc2C[N@@H+](Cc2cccnc2)C1 ZINC000096059078 358707509 /nfs/dbraw/zinc/70/75/09/358707509.db2.gz VSPIAIQDGXGGNY-CQSZACIVSA-N 1 2 272.352 1.557 40 0 CDABLO CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccccn1 ZINC000096260279 358729801 /nfs/dbraw/zinc/72/98/01/358729801.db2.gz NMJWOISCOFCCGM-OAHLLOKOSA-N 1 2 286.379 1.951 40 0 CDABLO CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccccn1 ZINC000096260279 358729804 /nfs/dbraw/zinc/72/98/04/358729804.db2.gz NMJWOISCOFCCGM-OAHLLOKOSA-N 1 2 286.379 1.951 40 0 CDABLO COc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3)n2)cc1 ZINC000015675958 360775667 /nfs/dbraw/zinc/77/56/67/360775667.db2.gz BMXGBVRNOBQZBD-LBPRGKRZSA-N 1 2 297.318 1.855 40 0 biogenic,in-vitro CDABLO CNC(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000048689043 373979128 /nfs/dbraw/zinc/97/91/28/373979128.db2.gz RLYPUVKOMAUEFI-UHFFFAOYSA-N 1 2 291.332 1.242 40 0 CDABLO Cc1ncsc1C[N@@H+](C)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000079354221 374795366 /nfs/dbraw/zinc/79/53/66/374795366.db2.gz ZNXYWGOBPRAKAC-NEPJUHHUSA-N 1 2 297.424 1.567 40 0 CDABLO Cc1ncsc1C[N@H+](C)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000079354221 374795371 /nfs/dbraw/zinc/79/53/71/374795371.db2.gz ZNXYWGOBPRAKAC-NEPJUHHUSA-N 1 2 297.424 1.567 40 0 CDABLO CNc1nc(NC[C@@H](C)CO)[nH+]cc1Br ZINC000131761799 375339200 /nfs/dbraw/zinc/33/92/00/375339200.db2.gz VRGACDBELPCJRL-ZCFIWIBFSA-N 1 2 275.150 1.321 40 0 CDABLO Cc1cc(C[NH2+]Cc2ccn(CC(C)C)n2)n(C)n1 ZINC000256054767 190005674 /nfs/dbraw/zinc/00/56/74/190005674.db2.gz XQLPMYOEWVTEFB-UHFFFAOYSA-N 1 2 261.373 1.871 40 0 CDABLO c1cnc(Nc2nccc(C3CC[NH2+]CC3)n2)nc1 ZINC000257219281 190013717 /nfs/dbraw/zinc/01/37/17/190013717.db2.gz DGHDCAXQFADASL-UHFFFAOYSA-N 1 2 256.313 1.477 40 0 CDABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3cnc(C)cn3)C2)[nH+]1 ZINC000257221026 190014942 /nfs/dbraw/zinc/01/49/42/190014942.db2.gz DNEZCQYUWMEXSC-LBPRGKRZSA-N 1 2 285.351 1.457 40 0 CDABLO Cc1[nH+]c2ccccn2c1CC(=O)NCc1ccnnc1 ZINC000257239850 190017529 /nfs/dbraw/zinc/01/75/29/190017529.db2.gz HRBMTEPIZBWPKT-UHFFFAOYSA-N 1 2 281.319 1.292 40 0 CDABLO O=C1CO[C@H]2C[N@H+](Cc3ccc(F)cc3Cl)C[C@@H]2N1 ZINC000257249782 190019922 /nfs/dbraw/zinc/01/99/22/190019922.db2.gz JJSPHEDWEKIDBF-RYUDHWBXSA-N 1 2 284.718 1.178 40 0 CDABLO O=C1CO[C@H]2C[N@@H+](Cc3ccc(F)cc3Cl)C[C@@H]2N1 ZINC000257249782 190019923 /nfs/dbraw/zinc/01/99/23/190019923.db2.gz JJSPHEDWEKIDBF-RYUDHWBXSA-N 1 2 284.718 1.178 40 0 CDABLO CNc1cc([C@@H]2CCCN2C(=O)Cn2cccn2)cc[nH+]1 ZINC000257264276 190023363 /nfs/dbraw/zinc/02/33/63/190023363.db2.gz LTRTZNCWIGSUPV-ZDUSSCGKSA-N 1 2 285.351 1.684 40 0 CDABLO COCC(=O)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257256109 190021559 /nfs/dbraw/zinc/02/15/59/190021559.db2.gz KKDDDQINJSPSGL-CYBMUJFWSA-N 1 2 271.320 1.613 40 0 CDABLO Cn1cccc1C(=O)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257305917 190031224 /nfs/dbraw/zinc/03/12/24/190031224.db2.gz SSBWFPMRKNLIQN-JSGCOSHPSA-N 1 2 288.351 1.060 40 0 CDABLO CCn1cc(C[N@@H+]2CC[C@H](c3ccn[nH]3)C2)c(C)n1 ZINC000257316310 190033078 /nfs/dbraw/zinc/03/30/78/190033078.db2.gz VFAADGJUSSYEKO-LBPRGKRZSA-N 1 2 259.357 1.924 40 0 CDABLO CCn1cc(C[N@H+]2CC[C@H](c3ccn[nH]3)C2)c(C)n1 ZINC000257316310 190033079 /nfs/dbraw/zinc/03/30/79/190033079.db2.gz VFAADGJUSSYEKO-LBPRGKRZSA-N 1 2 259.357 1.924 40 0 CDABLO O[C@H]1C[N@H+](Cc2ncccc2F)CC[C@@]12CCCO2 ZINC000257325300 190034026 /nfs/dbraw/zinc/03/40/26/190034026.db2.gz WSILHMQCUUHAAF-KBPBESRZSA-N 1 2 266.316 1.337 40 0 CDABLO O[C@H]1C[N@@H+](Cc2ncccc2F)CC[C@@]12CCCO2 ZINC000257325300 190034027 /nfs/dbraw/zinc/03/40/27/190034027.db2.gz WSILHMQCUUHAAF-KBPBESRZSA-N 1 2 266.316 1.337 40 0 CDABLO Cc1cc(=O)[nH]c([C@H]2CCC[N@@H+](Cc3nccn3C)C2)n1 ZINC000072351243 176374528 /nfs/dbraw/zinc/37/45/28/176374528.db2.gz FNWATAVFRQAPCC-LBPRGKRZSA-N 1 2 287.367 1.604 40 0 CDABLO Cc1cc(=O)[nH]c([C@H]2CCC[N@H+](Cc3nccn3C)C2)n1 ZINC000072351243 176374529 /nfs/dbraw/zinc/37/45/29/176374529.db2.gz FNWATAVFRQAPCC-LBPRGKRZSA-N 1 2 287.367 1.604 40 0 CDABLO NC(=O)C[N@@H+]1CCC[C@@H]1c1ccnc(-c2ccccn2)n1 ZINC000072379439 176386814 /nfs/dbraw/zinc/38/68/14/176386814.db2.gz BDEWZWPQDHYGMQ-CYBMUJFWSA-N 1 2 283.335 1.161 40 0 CDABLO NC(=O)C[N@H+]1CCC[C@@H]1c1ccnc(-c2ccccn2)n1 ZINC000072379439 176386816 /nfs/dbraw/zinc/38/68/16/176386816.db2.gz BDEWZWPQDHYGMQ-CYBMUJFWSA-N 1 2 283.335 1.161 40 0 CDABLO CO[C@H]1C[N@H+](Cc2cnc[nH]2)CC[C@@]12CCCO2 ZINC000257233441 277343970 /nfs/dbraw/zinc/34/39/70/277343970.db2.gz GPGMWJYTDYWCMQ-STQMWFEESA-N 1 2 251.330 1.180 40 0 CDABLO CO[C@H]1C[N@@H+](Cc2cnc[nH]2)CC[C@@]12CCCO2 ZINC000257233441 277343971 /nfs/dbraw/zinc/34/39/71/277343971.db2.gz GPGMWJYTDYWCMQ-STQMWFEESA-N 1 2 251.330 1.180 40 0 CDABLO Cc1ccnc([C@@H]2C[N@H+](CC3(O)CCCCC3)CCO2)n1 ZINC000257214171 302281911 /nfs/dbraw/zinc/28/19/11/302281911.db2.gz CKWYEMHWBHGTFQ-AWEZNQCLSA-N 1 2 291.395 1.854 40 0 CDABLO Cc1ccnc([C@@H]2C[N@@H+](CC3(O)CCCCC3)CCO2)n1 ZINC000257214171 302281914 /nfs/dbraw/zinc/28/19/14/302281914.db2.gz CKWYEMHWBHGTFQ-AWEZNQCLSA-N 1 2 291.395 1.854 40 0 CDABLO CCOC(=O)CN1CC[NH+](CCC(F)(F)F)CC1 ZINC000575441309 329119992 /nfs/dbraw/zinc/11/99/92/329119992.db2.gz BEOFURLNJTXMKE-UHFFFAOYSA-N 1 2 268.279 1.120 40 0 CDABLO CCOc1cc([C@H]([NH3+])c2nc(COC)n[nH]2)ccc1OC ZINC000095534416 185006766 /nfs/dbraw/zinc/00/67/66/185006766.db2.gz KOODHBAPUCCTGE-ZDUSSCGKSA-N 1 2 292.339 1.407 40 0 CDABLO [NH3+][C@H](Cc1ccccc1)c1nnc([C@H]2CCCO2)[nH]1 ZINC000095534907 185008064 /nfs/dbraw/zinc/00/80/64/185008064.db2.gz CSEGQTQTHWYHON-VXGBXAGGSA-N 1 2 258.325 1.899 40 0 CDABLO COC[C@@H]1Cc2c([nH+]cn2C)CN1Cc1cc(C)on1 ZINC000585094962 342211343 /nfs/dbraw/zinc/21/13/43/342211343.db2.gz XCQXUEZDDXOHLP-LBPRGKRZSA-N 1 2 276.340 1.290 40 0 CDABLO Cn1cnc2c1C[C@@H](COc1ncccn1)[N@@H+](C1CCC1)C2 ZINC000585094924 342211383 /nfs/dbraw/zinc/21/13/83/342211383.db2.gz UOJLAXFEEGFRKY-ZDUSSCGKSA-N 1 2 299.378 1.568 40 0 CDABLO Cn1cnc2c1C[C@@H](COc1ncccn1)[N@H+](C1CCC1)C2 ZINC000585094924 342211384 /nfs/dbraw/zinc/21/13/84/342211384.db2.gz UOJLAXFEEGFRKY-ZDUSSCGKSA-N 1 2 299.378 1.568 40 0 CDABLO Cn1c[nH+]c2c1C[C@@H](COc1ncccn1)N(C1CCC1)C2 ZINC000585094924 342211385 /nfs/dbraw/zinc/21/13/85/342211385.db2.gz UOJLAXFEEGFRKY-ZDUSSCGKSA-N 1 2 299.378 1.568 40 0 CDABLO O=C(Nc1nccs1)[C@H]1CN(c2cccc[nH+]2)CCO1 ZINC000257331919 362587244 /nfs/dbraw/zinc/58/72/44/362587244.db2.gz XUWMLMPBMREIGQ-SNVBAGLBSA-N 1 2 290.348 1.382 40 0 CDABLO C[NH+]1CCN(C(=S)c2ccc(O)c(Cl)c2)CC1 ZINC000008091784 348733400 /nfs/dbraw/zinc/73/34/00/348733400.db2.gz ZNIIBYHUJHAFNW-UHFFFAOYSA-N 1 2 270.785 1.969 40 0 CDABLO CNc1cc([C@H]2CCCN(S(C)(=O)=O)C2)cc[nH+]1 ZINC000205686887 348744041 /nfs/dbraw/zinc/74/40/41/348744041.db2.gz VIPMGRYBSIFBQI-NSHDSACASA-N 1 2 269.370 1.262 40 0 CDABLO CCOc1ccc([NH2+]C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000016741332 356446385 /nfs/dbraw/zinc/44/63/85/356446385.db2.gz SFOFBVJUHLSHGY-NSHDSACASA-N 1 2 269.366 1.932 40 0 CDABLO CC(C)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000023379283 356641624 /nfs/dbraw/zinc/64/16/24/356641624.db2.gz AQFNQYBXWQKPHM-UHFFFAOYSA-N 1 2 290.363 1.716 40 0 CDABLO COC[C@@H]1Cn2c[nH+]cc2CN(C(=O)Cc2ccco2)C1 ZINC000096206513 358720478 /nfs/dbraw/zinc/72/04/78/358720478.db2.gz UGCRRNOXHSHRDQ-LBPRGKRZSA-N 1 2 289.335 1.324 40 0 CDABLO CCO[C@@H]1CC[N@H+](Cc2nccs2)[C@H]2CCO[C@@H]21 ZINC000096218803 358722020 /nfs/dbraw/zinc/72/20/20/358722020.db2.gz JXQTWWHYXQFPMY-LOWVWBTDSA-N 1 2 268.382 1.911 40 0 CDABLO CCO[C@@H]1CC[N@@H+](Cc2nccs2)[C@H]2CCO[C@@H]21 ZINC000096218803 358722023 /nfs/dbraw/zinc/72/20/23/358722023.db2.gz JXQTWWHYXQFPMY-LOWVWBTDSA-N 1 2 268.382 1.911 40 0 CDABLO COC(=O)c1c(NC(C)=O)sc2c1CC[N@H+](C)C2 ZINC000006692598 364866984 /nfs/dbraw/zinc/86/69/84/364866984.db2.gz AOQJVXCAYGIBRD-UHFFFAOYSA-N 1 2 268.338 1.481 40 0 CDABLO COC(=O)c1c(NC(C)=O)sc2c1CC[N@@H+](C)C2 ZINC000006692598 364866986 /nfs/dbraw/zinc/86/69/86/364866986.db2.gz AOQJVXCAYGIBRD-UHFFFAOYSA-N 1 2 268.338 1.481 40 0 CDABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3cnn(C)c3)C2)[nH+]1 ZINC000257213130 190012824 /nfs/dbraw/zinc/01/28/24/190012824.db2.gz CGGWSSKWYBRVLI-NSHDSACASA-N 1 2 273.340 1.092 40 0 CDABLO CS(=O)(=O)C1(CO)CC[NH+](Cc2ccccc2)CC1 ZINC000217928201 375762614 /nfs/dbraw/zinc/76/26/14/375762614.db2.gz HGVAYERQHZHGNV-UHFFFAOYSA-N 1 2 283.393 1.058 40 0 CDABLO COc1ccccc1[C@@H]1Cn2cc[nH+]c2CN1CCO ZINC000257254048 190021006 /nfs/dbraw/zinc/02/10/06/190021006.db2.gz KBIPVUZEZDKHHH-ZDUSSCGKSA-N 1 2 273.336 1.441 40 0 CDABLO Cc1nccc(C[N@@H+]2CCC[C@@H]2c2cnccn2)n1 ZINC000257292877 190027969 /nfs/dbraw/zinc/02/79/69/190027969.db2.gz QNHVVMTVMZNVSS-CQSZACIVSA-N 1 2 255.325 1.912 40 0 CDABLO Cc1nccc(C[N@H+]2CCC[C@@H]2c2cnccn2)n1 ZINC000257292877 190027970 /nfs/dbraw/zinc/02/79/70/190027970.db2.gz QNHVVMTVMZNVSS-CQSZACIVSA-N 1 2 255.325 1.912 40 0 CDABLO Cc1c[nH]c([C@H]2COCCN2Cc2cc(C)on2)[nH+]1 ZINC000257313882 190031898 /nfs/dbraw/zinc/03/18/98/190031898.db2.gz UUMJLPLXHLWGLT-GFCCVEGCSA-N 1 2 262.313 1.588 40 0 CDABLO O=C(N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O)c1cscn1 ZINC000257336282 190036455 /nfs/dbraw/zinc/03/64/55/190036455.db2.gz YNTSMDAMMXOADC-YUSALJHKSA-N 1 2 292.364 1.224 40 0 CDABLO Cc1nc(CNc2[nH+]cnc3c2NC(=O)CN3)cs1 ZINC000041121558 379334027 /nfs/dbraw/zinc/33/40/27/379334027.db2.gz LSJDHJUPPXGMPM-UHFFFAOYSA-N 1 2 276.325 1.218 40 0 CDABLO Cc1nc(CNc2nc[nH+]c3c2NC(=O)CN3)cs1 ZINC000041121558 379334037 /nfs/dbraw/zinc/33/40/37/379334037.db2.gz LSJDHJUPPXGMPM-UHFFFAOYSA-N 1 2 276.325 1.218 40 0 CDABLO COC[C@@H]1Cn2cc[nH+]c2CN(C(=O)c2ccc(C)o2)C1 ZINC000096059100 285312895 /nfs/dbraw/zinc/31/28/95/285312895.db2.gz GHVJNOGRBBHLNW-GFCCVEGCSA-N 1 2 289.335 1.703 40 0 CDABLO NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000020160464 171040171 /nfs/dbraw/zinc/04/01/71/171040171.db2.gz MBZQXOMMLGHICF-UHFFFAOYSA-N 1 2 251.355 1.174 40 0 CDABLO O=C(NCCCn1cc[nH+]c1)c1cc(F)ccc1F ZINC000022250899 171382522 /nfs/dbraw/zinc/38/25/22/171382522.db2.gz NVOMGRNTXZNFQG-UHFFFAOYSA-N 1 2 265.263 1.981 40 0 CDABLO O=C(c1cnccn1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000072351055 176373640 /nfs/dbraw/zinc/37/36/40/176373640.db2.gz OOEZFHISDFWSNP-UHFFFAOYSA-N 1 2 283.335 1.224 40 0 CDABLO CNc1cccc([C@H]2CCCN(C(=O)c3cnccn3)C2)[nH+]1 ZINC000072363944 176379091 /nfs/dbraw/zinc/37/90/91/176379091.db2.gz TUKGSJZIUOFOMC-LBPRGKRZSA-N 1 2 297.362 1.933 40 0 CDABLO Cc1nc(C[N@@H+]2CCC[C@@H](Cc3ccc(N)nn3)C2)no1 ZINC000072387342 176392932 /nfs/dbraw/zinc/39/29/32/176392932.db2.gz DYXDCHXEJNPHOL-NSHDSACASA-N 1 2 288.355 1.205 40 0 CDABLO Cc1nc(C[N@H+]2CCC[C@@H](Cc3ccc(N)nn3)C2)no1 ZINC000072387342 176392933 /nfs/dbraw/zinc/39/29/33/176392933.db2.gz DYXDCHXEJNPHOL-NSHDSACASA-N 1 2 288.355 1.205 40 0 CDABLO COC[C@@H](C)[NH+]1CCN(C(=O)c2ncoc2C(C)C)CC1 ZINC000076616524 177043198 /nfs/dbraw/zinc/04/31/98/177043198.db2.gz USYFLOVOLBNTFK-GFCCVEGCSA-N 1 2 295.383 1.591 40 0 CDABLO C[C@H](C[C@@H]1Nc2ccccc2C[NH2+]1)n1[nH]c(=O)ccc1=O ZINC000409202483 261148462 /nfs/dbraw/zinc/14/84/62/261148462.db2.gz SUEAHWBBGNSXPD-MFKMUULPSA-N 1 2 286.335 1.441 40 0 CDABLO Cc1nc2ncnc(N3CCN(c4cccc[nH+]4)CC3)c2[nH]1 ZINC000046087321 423942445 /nfs/dbraw/zinc/94/24/45/423942445.db2.gz LHLNYSGZLTZVRW-UHFFFAOYSA-N 1 2 295.350 1.383 40 0 CDABLO Cc1nc([C@H]2C[C@@H]3CC[N@H+](Cc4cccnc4)C[C@H]3O2)n[nH]1 ZINC000096046204 185071837 /nfs/dbraw/zinc/07/18/37/185071837.db2.gz WGZNBQCNVHNYKM-RRFJBIMHSA-N 1 2 299.378 1.860 40 0 CDABLO Cc1nc([C@H]2C[C@@H]3CC[N@@H+](Cc4cccnc4)C[C@H]3O2)n[nH]1 ZINC000096046204 185071838 /nfs/dbraw/zinc/07/18/38/185071838.db2.gz WGZNBQCNVHNYKM-RRFJBIMHSA-N 1 2 299.378 1.860 40 0 CDABLO OC[C@@]1(Cc2ccccc2)CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000585276409 342256213 /nfs/dbraw/zinc/25/62/13/342256213.db2.gz OJCZQQFVKOTBDZ-MRXNPFEDSA-N 1 2 287.363 1.216 40 0 CDABLO Cc1cc(Cl)ccc1C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000136179543 362316580 /nfs/dbraw/zinc/31/65/80/362316580.db2.gz LHNDVELVSUUOKS-GFCCVEGCSA-N 1 2 268.744 1.335 40 0 CDABLO Cc1cc(Cl)ccc1C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000136179543 362316584 /nfs/dbraw/zinc/31/65/84/362316584.db2.gz LHNDVELVSUUOKS-GFCCVEGCSA-N 1 2 268.744 1.335 40 0 CDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cc(C)on2)[nH+]1 ZINC000257238538 362579563 /nfs/dbraw/zinc/57/95/63/362579563.db2.gz HLMJKIMVPJBPKD-NSHDSACASA-N 1 2 276.296 1.228 40 0 CDABLO CN(C(=O)c1ccnn1C)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257307418 362583943 /nfs/dbraw/zinc/58/39/43/362583943.db2.gz SYOBNSCEIPWBGA-ZDUSSCGKSA-N 1 2 299.378 1.556 40 0 CDABLO CC(=O)CCSc1nc(N2CCOCC2)cc(C)[nH+]1 ZINC000005922202 356064084 /nfs/dbraw/zinc/06/40/84/356064084.db2.gz VRXWTXNQAJLQCE-UHFFFAOYSA-N 1 2 281.381 1.693 40 0 CDABLO Cn1cnc2c1[C@@H](C(=O)N1CCCC1)[N@H+](CC1CC1)CC2 ZINC000096147177 358709617 /nfs/dbraw/zinc/70/96/17/358709617.db2.gz QZKQPWNEJNLLPU-HNNXBMFYSA-N 1 2 288.395 1.352 40 0 CDABLO Cn1cnc2c1[C@@H](C(=O)N1CCCC1)[N@@H+](CC1CC1)CC2 ZINC000096147177 358709622 /nfs/dbraw/zinc/70/96/22/358709622.db2.gz QZKQPWNEJNLLPU-HNNXBMFYSA-N 1 2 288.395 1.352 40 0 CDABLO CCc1cnc(N2CC[C@]3(C[C@H](n4cc[nH+]c4)CO3)C2)nc1 ZINC000096219666 358721923 /nfs/dbraw/zinc/72/19/23/358721923.db2.gz ROELZNJEZWFXGX-HOCLYGCPSA-N 1 2 299.378 1.846 40 0 CDABLO CC(C)Cn1cc(C[NH2+]Cc2ccn(CCF)n2)cn1 ZINC000256049673 190002186 /nfs/dbraw/zinc/00/21/86/190002186.db2.gz AWYDAIPQCNBETK-UHFFFAOYSA-N 1 2 279.363 1.995 40 0 CDABLO CCn1ccc(C[NH2+]Cc2cnn(CC)c2F)n1 ZINC000256049700 190002212 /nfs/dbraw/zinc/00/22/12/190002212.db2.gz BAQXIUBOHKEQIW-UHFFFAOYSA-N 1 2 251.309 1.548 40 0 CDABLO Cc1cnn(C)c1C[NH2+]Cc1ccn(CC(F)F)n1 ZINC000256051896 190003434 /nfs/dbraw/zinc/00/34/34/190003434.db2.gz KYXIDDPUKKXKCL-UHFFFAOYSA-N 1 2 269.299 1.480 40 0 CDABLO Cc1ccnc([C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)C2)n1 ZINC000257233783 190017148 /nfs/dbraw/zinc/01/71/48/190017148.db2.gz GQSFSXAAEXMJKC-CQSZACIVSA-N 1 2 299.378 1.778 40 0 CDABLO Cc1c[nH+]c2n1C[C@@H](c1ccccc1)N(S(C)(=O)=O)C2 ZINC000257257416 190021967 /nfs/dbraw/zinc/02/19/67/190021967.db2.gz KPMXCVFVIVGBIL-ZDUSSCGKSA-N 1 2 291.376 1.708 40 0 CDABLO CNc1cccc([C@H]2C[N@H+](Cc3c[nH]nc3C)CCO2)n1 ZINC000257280420 190025614 /nfs/dbraw/zinc/02/56/14/190025614.db2.gz OKTMBDMLXNHYAH-CQSZACIVSA-N 1 2 287.367 1.728 40 0 CDABLO CNc1cccc([C@H]2C[N@@H+](Cc3c[nH]nc3C)CCO2)n1 ZINC000257280420 190025615 /nfs/dbraw/zinc/02/56/15/190025615.db2.gz OKTMBDMLXNHYAH-CQSZACIVSA-N 1 2 287.367 1.728 40 0 CDABLO Cc1nc([C@@H]2C[N@H+](Cc3cncs3)CCO2)cc(=O)[nH]1 ZINC000257292357 190027511 /nfs/dbraw/zinc/02/75/11/190027511.db2.gz QLCNVHRJOASRHD-LBPRGKRZSA-N 1 2 292.364 1.521 40 0 CDABLO Cc1nc([C@@H]2C[N@@H+](Cc3cncs3)CCO2)cc(=O)[nH]1 ZINC000257292357 190027512 /nfs/dbraw/zinc/02/75/12/190027512.db2.gz QLCNVHRJOASRHD-LBPRGKRZSA-N 1 2 292.364 1.521 40 0 CDABLO CCc1nnc(C[N@H+]2CCC[C@@H](c3nncn3CC)C2)o1 ZINC000328604757 375890322 /nfs/dbraw/zinc/89/03/22/375890322.db2.gz IXCHJAUMKXGXCH-LLVKDONJSA-N 1 2 290.371 1.623 40 0 CDABLO CCc1nnc(C[N@@H+]2CCC[C@@H](c3nncn3CC)C2)o1 ZINC000328604757 375890331 /nfs/dbraw/zinc/89/03/31/375890331.db2.gz IXCHJAUMKXGXCH-LLVKDONJSA-N 1 2 290.371 1.623 40 0 CDABLO C[N@H+](Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000044868277 175268388 /nfs/dbraw/zinc/26/83/88/175268388.db2.gz YGYUTWQLOJYSES-GFCCVEGCSA-N 1 2 273.785 1.959 40 0 CDABLO C[N@@H+](Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000044868277 175268389 /nfs/dbraw/zinc/26/83/89/175268389.db2.gz YGYUTWQLOJYSES-GFCCVEGCSA-N 1 2 273.785 1.959 40 0 CDABLO CNC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000072366137 176381306 /nfs/dbraw/zinc/38/13/06/176381306.db2.gz MYLUZXCWYKFRKB-CYBMUJFWSA-N 1 2 285.351 1.501 40 0 CDABLO CNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+]1Cc1cccnc1 ZINC000072366137 176381308 /nfs/dbraw/zinc/38/13/08/176381308.db2.gz MYLUZXCWYKFRKB-CYBMUJFWSA-N 1 2 285.351 1.501 40 0 CDABLO Cn1ccnc1C[N@@H+]1CCC[C@H]1c1ccnc2nccn21 ZINC000072368057 176382370 /nfs/dbraw/zinc/38/23/70/176382370.db2.gz YYLIFTMRAWHGSW-LBPRGKRZSA-N 1 2 282.351 1.800 40 0 CDABLO Cn1ccnc1C[N@H+]1CCC[C@H]1c1ccnc2nccn21 ZINC000072368057 176382371 /nfs/dbraw/zinc/38/23/71/176382371.db2.gz YYLIFTMRAWHGSW-LBPRGKRZSA-N 1 2 282.351 1.800 40 0 CDABLO Cc1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccccn1)C2 ZINC000072373672 176385018 /nfs/dbraw/zinc/38/50/18/176385018.db2.gz FKTCKXHHXDHSQC-UHFFFAOYSA-N 1 2 256.309 1.444 40 0 CDABLO Cc1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccccn1)C2 ZINC000072373672 176385019 /nfs/dbraw/zinc/38/50/19/176385019.db2.gz FKTCKXHHXDHSQC-UHFFFAOYSA-N 1 2 256.309 1.444 40 0 CDABLO Cc1cncc([C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000072380909 176386971 /nfs/dbraw/zinc/38/69/71/176386971.db2.gz MNQSIQQPJXIIOH-GFCCVEGCSA-N 1 2 257.341 1.888 40 0 CDABLO Cc1cncc([C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000072380909 176386972 /nfs/dbraw/zinc/38/69/72/176386972.db2.gz MNQSIQQPJXIIOH-GFCCVEGCSA-N 1 2 257.341 1.888 40 0 CDABLO Cc1cnn(CC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000077613450 177287462 /nfs/dbraw/zinc/28/74/62/177287462.db2.gz RPMXDLLKDKHRLP-UHFFFAOYSA-N 1 2 295.346 1.694 40 0 CDABLO C[N@@H+]1C[C@H](O)C[C@H]1c1nc(Cc2ccccc2)no1 ZINC000015675058 1165597765 /nfs/dbraw/zinc/59/77/65/1165597765.db2.gz ZKHCRGHEPBSUAH-NEPJUHHUSA-N 1 2 259.309 1.398 40 0 biogenic,in-vitro CDABLO C[N@H+]1C[C@H](O)C[C@H]1c1nc(Cc2ccccc2)no1 ZINC000015675058 1165597773 /nfs/dbraw/zinc/59/77/73/1165597773.db2.gz ZKHCRGHEPBSUAH-NEPJUHHUSA-N 1 2 259.309 1.398 40 0 biogenic,in-vitro CDABLO COC[C@H]1Cn2cc[nH+]c2CN(C(=O)c2ccsc2)C1 ZINC000096059088 185078859 /nfs/dbraw/zinc/07/88/59/185078859.db2.gz UWZBIKMSNVIAQG-NSHDSACASA-N 1 2 291.376 1.863 40 0 CDABLO COC[C@H]1C[N@H+](Cc2ccco2)Cc2cn(C)nc21 ZINC000096059803 185080745 /nfs/dbraw/zinc/08/07/45/185080745.db2.gz PAYYNHDIPSKMTD-GFCCVEGCSA-N 1 2 261.325 1.759 40 0 CDABLO COC[C@H]1C[N@@H+](Cc2ccco2)Cc2cn(C)nc21 ZINC000096059803 185080746 /nfs/dbraw/zinc/08/07/46/185080746.db2.gz PAYYNHDIPSKMTD-GFCCVEGCSA-N 1 2 261.325 1.759 40 0 CDABLO COC[C@H](C)NC(=O)c1nc2c(o1)CC[N@@H+](C(C)C)C2 ZINC000585111718 342213350 /nfs/dbraw/zinc/21/33/50/342213350.db2.gz GPWCZSOCMXRRFN-JTQLQIEISA-N 1 2 281.356 1.206 40 0 CDABLO COC[C@H](C)NC(=O)c1nc2c(o1)CC[N@H+](C(C)C)C2 ZINC000585111718 342213351 /nfs/dbraw/zinc/21/33/51/342213351.db2.gz GPWCZSOCMXRRFN-JTQLQIEISA-N 1 2 281.356 1.206 40 0 CDABLO Cc1ccccc1OC[C@]1(O)CC[N@H+](Cc2cc[nH]n2)C1 ZINC000585275002 342256048 /nfs/dbraw/zinc/25/60/48/342256048.db2.gz SXEHZIGNODIFOQ-INIZCTEOSA-N 1 2 287.363 1.734 40 0 CDABLO Cc1ccccc1OC[C@]1(O)CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000585275002 342256049 /nfs/dbraw/zinc/25/60/49/342256049.db2.gz SXEHZIGNODIFOQ-INIZCTEOSA-N 1 2 287.363 1.734 40 0 CDABLO CO[C@@]1(CCC(=O)N(C)C)CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000585275513 342256137 /nfs/dbraw/zinc/25/61/37/342256137.db2.gz FLVXUSJCOBRKSH-OAHLLOKOSA-N 1 2 294.399 1.259 40 0 CDABLO CO[C@@]1(CCC(=O)N(C)C)CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000585275513 342256138 /nfs/dbraw/zinc/25/61/38/342256138.db2.gz FLVXUSJCOBRKSH-OAHLLOKOSA-N 1 2 294.399 1.259 40 0 CDABLO O=C(c1ccccc1Cl)N1CC[NH+](CCO)CC1 ZINC000019597508 356493259 /nfs/dbraw/zinc/49/32/59/356493259.db2.gz NTFLFFXQYBPCEI-UHFFFAOYSA-N 1 2 268.744 1.090 40 0 CDABLO C[C@@H]1CCCN(C(=O)c2cc3c(nc2N)CC[N@H+](C)C3)C1 ZINC000019700564 356495900 /nfs/dbraw/zinc/49/59/00/356495900.db2.gz IIGBDMGYHQMUNE-LLVKDONJSA-N 1 2 288.395 1.524 40 0 CDABLO C[C@@H]1CCCN(C(=O)c2cc3c(nc2N)CC[N@@H+](C)C3)C1 ZINC000019700564 356495902 /nfs/dbraw/zinc/49/59/02/356495902.db2.gz IIGBDMGYHQMUNE-LLVKDONJSA-N 1 2 288.395 1.524 40 0 CDABLO C[N@H+]1Cc2cc3c(c([Si](C)(C)C)c2[C@@H](O)C1)OCO3 ZINC000196807605 283252971 /nfs/dbraw/zinc/25/29/71/283252971.db2.gz QTHOGRWVGBVQIQ-JTQLQIEISA-N 1 2 279.412 1.439 40 0 CDABLO C[N@@H+]1Cc2cc3c(c([Si](C)(C)C)c2[C@@H](O)C1)OCO3 ZINC000196807605 283252974 /nfs/dbraw/zinc/25/29/74/283252974.db2.gz QTHOGRWVGBVQIQ-JTQLQIEISA-N 1 2 279.412 1.439 40 0 CDABLO c1cn([C@H]2CO[C@]3(C2)CCCN(c2ncccn2)C3)c[nH+]1 ZINC000107731423 359027977 /nfs/dbraw/zinc/02/79/77/359027977.db2.gz RWBDHZRCUVBBBH-HIFRSBDPSA-N 1 2 285.351 1.674 40 0 CDABLO O[C@H]1CCC[N@H+](Cc2ccc(Br)o2)C1 ZINC000050103508 359310900 /nfs/dbraw/zinc/31/09/00/359310900.db2.gz KEIPEOUCOBMYCZ-QMMMGPOBSA-N 1 2 260.131 1.999 40 0 CDABLO O[C@H]1CCC[N@@H+](Cc2ccc(Br)o2)C1 ZINC000050103508 359310903 /nfs/dbraw/zinc/31/09/03/359310903.db2.gz KEIPEOUCOBMYCZ-QMMMGPOBSA-N 1 2 260.131 1.999 40 0 CDABLO CCc1nc2c(c(=O)[nH]1)OCC[N@H+](Cc1ccco1)C2 ZINC000306137585 374970030 /nfs/dbraw/zinc/97/00/30/374970030.db2.gz RAPSHJSSQOFCRQ-UHFFFAOYSA-N 1 2 275.308 1.732 40 0 CDABLO CCc1nc2c(c(=O)[nH]1)OCC[N@@H+](Cc1ccco1)C2 ZINC000306137585 374970033 /nfs/dbraw/zinc/97/00/33/374970033.db2.gz RAPSHJSSQOFCRQ-UHFFFAOYSA-N 1 2 275.308 1.732 40 0 CDABLO CCOC[C@@H]1CN(Cc2cc(C)nn2C)Cc2c[nH+]cn21 ZINC000306139053 374970886 /nfs/dbraw/zinc/97/08/86/374970886.db2.gz SODTZGGZAYKZFE-HNNXBMFYSA-N 1 2 289.383 1.518 40 0 CDABLO Cc1ccc(OC[C@H]2C[N@H+](CCO)CCO2)cc1 ZINC000217490051 375657360 /nfs/dbraw/zinc/65/73/60/375657360.db2.gz PUWNRMGURSHTCV-CQSZACIVSA-N 1 2 251.326 1.067 40 0 CDABLO Cc1ccc(OC[C@H]2C[N@@H+](CCO)CCO2)cc1 ZINC000217490051 375657365 /nfs/dbraw/zinc/65/73/65/375657365.db2.gz PUWNRMGURSHTCV-CQSZACIVSA-N 1 2 251.326 1.067 40 0 CDABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3cncnc3)C2)[nH+]1 ZINC000257205493 190011252 /nfs/dbraw/zinc/01/12/52/190011252.db2.gz AZICSWIKSBYSIX-SNVBAGLBSA-N 1 2 257.297 1.138 40 0 CDABLO Cc1cc(C)nc([C@@]2(C)CCCN2C(=O)Cn2cc[nH+]c2)n1 ZINC000257236073 190016707 /nfs/dbraw/zinc/01/67/07/190016707.db2.gz HARDXQVZXNULSL-MRXNPFEDSA-N 1 2 299.378 1.828 40 0 CDABLO CCS(=O)(=O)N1CCC[C@H]1c1cc[nH+]c(NC)c1 ZINC000257243408 190018251 /nfs/dbraw/zinc/01/82/51/190018251.db2.gz IGVKKSKJQSRCER-NSHDSACASA-N 1 2 269.370 1.610 40 0 CDABLO Cc1c[nH]c([C@@H]2CCN(S(=O)(=O)c3cccnc3)C2)[nH+]1 ZINC000257276540 190025171 /nfs/dbraw/zinc/02/51/71/190025171.db2.gz NUFNHCCOBXHFKL-LLVKDONJSA-N 1 2 292.364 1.291 40 0 CDABLO O=C1CO[C@H]2C[N@H+](Cc3ccc(Cl)c(F)c3)C[C@@H]2N1 ZINC000257318650 190033191 /nfs/dbraw/zinc/03/31/91/190033191.db2.gz VOWKAKATLZYTIA-RYUDHWBXSA-N 1 2 284.718 1.178 40 0 CDABLO O=C1CO[C@H]2C[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@@H]2N1 ZINC000257318650 190033192 /nfs/dbraw/zinc/03/31/92/190033192.db2.gz VOWKAKATLZYTIA-RYUDHWBXSA-N 1 2 284.718 1.178 40 0 CDABLO CC(=O)N1CCC(c2cccc(N3CC[C@@H](O)C3)[nH+]2)CC1 ZINC000257337428 190036313 /nfs/dbraw/zinc/03/63/13/190036313.db2.gz YSSCLHFLGORROA-CQSZACIVSA-N 1 2 289.379 1.379 40 0 CDABLO COC(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@@H]1c1c[nH+]c[nH]1 ZINC000242688616 376063535 /nfs/dbraw/zinc/06/35/35/376063535.db2.gz VUYIUYOXVUMQSM-AMIZOPFISA-N 1 2 281.312 1.334 40 0 CDABLO COC(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@@H]1c1c[nH]c[nH+]1 ZINC000242688616 376063539 /nfs/dbraw/zinc/06/35/39/376063539.db2.gz VUYIUYOXVUMQSM-AMIZOPFISA-N 1 2 281.312 1.334 40 0 CDABLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+](C)Cc1ccoc1 ZINC000330937588 376353154 /nfs/dbraw/zinc/35/31/54/376353154.db2.gz APAFSALGQFRBOF-NSHDSACASA-N 1 2 293.367 1.874 40 0 CDABLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+](C)Cc1ccoc1 ZINC000330937588 376353156 /nfs/dbraw/zinc/35/31/56/376353156.db2.gz APAFSALGQFRBOF-NSHDSACASA-N 1 2 293.367 1.874 40 0 CDABLO c1[nH]nc2ncnc(N3CCN(c4cccc[nH+]4)CC3)c12 ZINC000041121118 134877305 /nfs/dbraw/zinc/87/73/05/134877305.db2.gz SDECJDHHQNFYQC-UHFFFAOYSA-N 1 2 281.323 1.075 40 0 CDABLO C[N@H+](CC(N)=O)Cc1cc(-c2ccc(F)cc2)no1 ZINC000040105841 174191157 /nfs/dbraw/zinc/19/11/57/174191157.db2.gz JGKHZEQBAOOQSH-UHFFFAOYSA-N 1 2 263.272 1.398 40 0 CDABLO C[N@@H+](CC(N)=O)Cc1cc(-c2ccc(F)cc2)no1 ZINC000040105841 174191159 /nfs/dbraw/zinc/19/11/59/174191159.db2.gz JGKHZEQBAOOQSH-UHFFFAOYSA-N 1 2 263.272 1.398 40 0 CDABLO CN(C)c1ncc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cn1 ZINC000072369532 176384331 /nfs/dbraw/zinc/38/43/31/176384331.db2.gz AYJQIRZWWSOVMB-CYBMUJFWSA-N 1 2 286.383 1.645 40 0 CDABLO CN(C)c1ncc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cn1 ZINC000072369532 176384332 /nfs/dbraw/zinc/38/43/32/176384332.db2.gz AYJQIRZWWSOVMB-CYBMUJFWSA-N 1 2 286.383 1.645 40 0 CDABLO CNc1ccnc([C@H]2CCCN2c2cc(C)[nH+]cn2)n1 ZINC000072385531 176389906 /nfs/dbraw/zinc/38/99/06/176389906.db2.gz UMDVWGAHJIJCIT-LLVKDONJSA-N 1 2 270.340 1.958 40 0 CDABLO CC(=O)N1CC[N@@H+](C)C[C@H]1c1cccc(C(=O)N(C)C)c1 ZINC000072366535 278039734 /nfs/dbraw/zinc/03/97/34/278039734.db2.gz MIVKCYVCEYACEW-HNNXBMFYSA-N 1 2 289.379 1.223 40 0 CDABLO CC(=O)N1CC[N@H+](C)C[C@H]1c1cccc(C(=O)N(C)C)c1 ZINC000072366535 278039736 /nfs/dbraw/zinc/03/97/36/278039736.db2.gz MIVKCYVCEYACEW-HNNXBMFYSA-N 1 2 289.379 1.223 40 0 CDABLO CC(C)C[C@H]1C(=O)N([C@@H]2CCn3cc[nH+]c3C2)C(=O)N1C ZINC000330295202 279197157 /nfs/dbraw/zinc/19/71/57/279197157.db2.gz FNXXSLMJJJINNS-NEPJUHHUSA-N 1 2 290.367 1.507 40 0 CDABLO Cc1occc1C(=O)N1CC[C@@H]2OCC[N@@H+](C(C)C)[C@H]2C1 ZINC000108526661 294049115 /nfs/dbraw/zinc/04/91/15/294049115.db2.gz GYBZOKHAMAJSHS-GJZGRUSLSA-N 1 2 292.379 1.912 40 0 CDABLO Cc1occc1C(=O)N1CC[C@@H]2OCC[N@H+](C(C)C)[C@H]2C1 ZINC000108526661 294049116 /nfs/dbraw/zinc/04/91/16/294049116.db2.gz GYBZOKHAMAJSHS-GJZGRUSLSA-N 1 2 292.379 1.912 40 0 CDABLO COCc1n[nH]c([C@@H]([NH3+])c2ccc(OC)c(OC)c2)n1 ZINC000095533845 185006721 /nfs/dbraw/zinc/00/67/21/185006721.db2.gz UEPOLWGITMMRMU-LBPRGKRZSA-N 1 2 278.312 1.016 40 0 CDABLO CNC(=O)[C@@H]1C[C@@H]2CC[N@H+](Cc3csc(C)n3)C[C@H]2O1 ZINC000096042981 185070048 /nfs/dbraw/zinc/07/00/48/185070048.db2.gz AFDRWLUYQASCHI-WCFLWFBJSA-N 1 2 295.408 1.177 40 0 CDABLO CNC(=O)[C@@H]1C[C@@H]2CC[N@@H+](Cc3csc(C)n3)C[C@H]2O1 ZINC000096042981 185070050 /nfs/dbraw/zinc/07/00/50/185070050.db2.gz AFDRWLUYQASCHI-WCFLWFBJSA-N 1 2 295.408 1.177 40 0 CDABLO O[C@@H]1CCN(c2cccc[nH+]2)[C@@H]1Cc1ccncc1 ZINC000096069969 185085949 /nfs/dbraw/zinc/08/59/49/185085949.db2.gz YHMIGBNDHVPWBB-ZIAGYGMSSA-N 1 2 255.321 1.659 40 0 CDABLO Cc1cccc(CN2Cc3[nH+]cn(C)c3C[C@@H]2CO)n1 ZINC000585094877 342211332 /nfs/dbraw/zinc/21/13/32/342211332.db2.gz RNHJLHBGGSNYFM-CYBMUJFWSA-N 1 2 272.352 1.043 40 0 CDABLO Cc1cc(C(=O)N2Cc3[nH+]cn(C)c3C[C@@H]2CO)c(C)o1 ZINC000585094939 342211345 /nfs/dbraw/zinc/21/13/45/342211345.db2.gz VLMBEKPACIPYHD-LLVKDONJSA-N 1 2 289.335 1.189 40 0 CDABLO C[N@H+]1Cc2ccnn2[C@@H](CCNC(=O)c2cscn2)C1 ZINC000585111800 342213447 /nfs/dbraw/zinc/21/34/47/342213447.db2.gz BZNPYXKZYORPNT-JTQLQIEISA-N 1 2 291.380 1.146 40 0 CDABLO C[N@@H+]1Cc2ccnn2[C@@H](CCNC(=O)c2cscn2)C1 ZINC000585111800 342213448 /nfs/dbraw/zinc/21/34/48/342213448.db2.gz BZNPYXKZYORPNT-JTQLQIEISA-N 1 2 291.380 1.146 40 0 CDABLO CO[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[C@]12CCCO2 ZINC000585291131 342258901 /nfs/dbraw/zinc/25/89/01/342258901.db2.gz KFTXTXPLNHKXIN-MXKYZYEVSA-N 1 2 291.351 1.219 40 0 CDABLO CO[C@@H]1CSC2(C[NH+](Cc3cc(C)nn3C)C2)C1 ZINC000248014823 362144835 /nfs/dbraw/zinc/14/48/35/362144835.db2.gz FUADGRMLWOEIDX-LBPRGKRZSA-N 1 2 267.398 1.435 40 0 CDABLO c1cc(C[N@H+]2CCO[C@@H]3[C@@H](Cn4cnnc4)CC[C@H]32)co1 ZINC000247924968 362139729 /nfs/dbraw/zinc/13/97/29/362139729.db2.gz AKJOKRVXLNGHNC-RBSFLKMASA-N 1 2 288.351 1.551 40 0 CDABLO c1cc(C[N@@H+]2CCO[C@@H]3[C@@H](Cn4cnnc4)CC[C@H]32)co1 ZINC000247924968 362139733 /nfs/dbraw/zinc/13/97/33/362139733.db2.gz AKJOKRVXLNGHNC-RBSFLKMASA-N 1 2 288.351 1.551 40 0 CDABLO CN(C(=O)c1ccn(C)n1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257310164 362586157 /nfs/dbraw/zinc/58/61/57/362586157.db2.gz UDYCQPRVYUYXKK-CYBMUJFWSA-N 1 2 299.378 1.556 40 0 CDABLO Cc1cccc(N2C(=[NH2+])S[C@@H]3CS(=O)(=O)C[C@H]32)c1C ZINC000137924820 346623296 /nfs/dbraw/zinc/62/32/96/346623296.db2.gz JEJGQAOQDYDXOB-VXGBXAGGSA-N 1 2 296.417 1.957 40 0 CDABLO COC(=O)[C@@H]1C[C@H](OC(F)(F)C(F)(F)F)C[NH2+]1 ZINC000091252435 180114656 /nfs/dbraw/zinc/11/46/56/180114656.db2.gz LUZWKJBKRPZRDY-WHFBIAKZSA-N 1 2 263.162 1.062 40 0 CDABLO Cc1ccc(S(=O)(=O)CC[NH+]2CCCC2)cc1 ZINC000001713418 355948591 /nfs/dbraw/zinc/94/85/91/355948591.db2.gz WIHMTJNZZPFMGZ-UHFFFAOYSA-N 1 2 253.367 1.865 40 0 CDABLO O=c1c2c([nH]c(=S)n1-c1ccccc1)[NH2+]CCC2 ZINC000006575954 356078588 /nfs/dbraw/zinc/07/85/88/356078588.db2.gz CMFBVTAKCDJQPN-UHFFFAOYSA-N 1 2 259.334 1.879 40 0 CDABLO Nc1[nH+]cnc(NCCOC[C@H]2CCCO2)c1Cl ZINC000225479246 374484923 /nfs/dbraw/zinc/48/49/23/374484923.db2.gz RGNUMGWDNWQXDP-MRVPVSSYSA-N 1 2 272.736 1.320 40 0 CDABLO Nc1nc[nH+]c(NCCOC[C@H]2CCCO2)c1Cl ZINC000225479246 374484929 /nfs/dbraw/zinc/48/49/29/374484929.db2.gz RGNUMGWDNWQXDP-MRVPVSSYSA-N 1 2 272.736 1.320 40 0 CDABLO O=C(NCC1CCOCC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000225512038 374626526 /nfs/dbraw/zinc/62/65/26/374626526.db2.gz WZUWGTLHELNYQL-NSHDSACASA-N 1 2 263.341 1.057 40 0 CDABLO O=C(NCC1CCOCC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000225512038 374626534 /nfs/dbraw/zinc/62/65/34/374626534.db2.gz WZUWGTLHELNYQL-NSHDSACASA-N 1 2 263.341 1.057 40 0 CDABLO Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)C(C)C)cc[nH+]1 ZINC000079001760 374755001 /nfs/dbraw/zinc/75/50/01/374755001.db2.gz IXFRLGRLWUNINX-ZDUSSCGKSA-N 1 2 275.352 1.976 40 0 CDABLO CCNC(=O)[C@@H]1CCC[N@@H+]1[C@@H](C(=O)NC)c1ccccc1 ZINC000096112965 375058288 /nfs/dbraw/zinc/05/82/88/375058288.db2.gz LEWVNSFIAIZCMP-UONOGXRCSA-N 1 2 289.379 1.074 40 0 biogenic,in-vitro CDABLO CCNC(=O)[C@@H]1CCC[N@H+]1[C@@H](C(=O)NC)c1ccccc1 ZINC000096112965 375058291 /nfs/dbraw/zinc/05/82/91/375058291.db2.gz LEWVNSFIAIZCMP-UONOGXRCSA-N 1 2 289.379 1.074 40 0 biogenic,in-vitro CDABLO Cc1nc(N2CCN(c3cccc[nH+]3)CC2)nc(C)c1N ZINC000217514567 375662171 /nfs/dbraw/zinc/66/21/71/375662171.db2.gz YDCNFGIDEDTAJE-UHFFFAOYSA-N 1 2 284.367 1.397 40 0 CDABLO CCn1cc(C(=O)N2CC[C@@H](c3[nH]cc(C)[nH+]3)C2)c(C)n1 ZINC000257296019 190028838 /nfs/dbraw/zinc/02/88/38/190028838.db2.gz RAWCQAMVYGXHFJ-GFCCVEGCSA-N 1 2 287.367 1.873 40 0 CDABLO CCn1cc(C[N@@H+]2CC[C@@H](c3ccn[nH]3)C2)c(C)n1 ZINC000257316309 190033001 /nfs/dbraw/zinc/03/30/01/190033001.db2.gz VFAADGJUSSYEKO-GFCCVEGCSA-N 1 2 259.357 1.924 40 0 CDABLO CCn1cc(C[N@H+]2CC[C@@H](c3ccn[nH]3)C2)c(C)n1 ZINC000257316309 190033002 /nfs/dbraw/zinc/03/30/02/190033002.db2.gz VFAADGJUSSYEKO-GFCCVEGCSA-N 1 2 259.357 1.924 40 0 CDABLO O=C1CO[C@H]2C[N@H+](Cc3ccco3)C[C@H]2N1CC1CC1 ZINC000067897110 377287310 /nfs/dbraw/zinc/28/73/10/377287310.db2.gz YKBNYOUDBSVBCE-KGLIPLIRSA-N 1 2 276.336 1.101 40 0 biogenic,in-vitro CDABLO O=C1CO[C@H]2C[N@@H+](Cc3ccco3)C[C@H]2N1CC1CC1 ZINC000067897110 377287316 /nfs/dbraw/zinc/28/73/16/377287316.db2.gz YKBNYOUDBSVBCE-KGLIPLIRSA-N 1 2 276.336 1.101 40 0 biogenic,in-vitro CDABLO Cc1noc(C[NH2+]Cc2cc3ccccc3n(C)c2=O)n1 ZINC000072206568 390615382 /nfs/dbraw/zinc/61/53/82/390615382.db2.gz CBFOXHYANCCYNL-UHFFFAOYSA-N 1 2 284.319 1.520 40 0 CDABLO COc1cc2c(cc1OC)C[N@@H+]1CCC(=O)C[C@H]1C2 ZINC000031689634 286259446 /nfs/dbraw/zinc/25/94/46/286259446.db2.gz LTRGVYPKENVTPE-GFCCVEGCSA-N 1 2 261.321 1.793 40 0 CDABLO COc1cc2c(cc1OC)C[N@H+]1CCC(=O)C[C@H]1C2 ZINC000031689634 286259448 /nfs/dbraw/zinc/25/94/48/286259448.db2.gz LTRGVYPKENVTPE-GFCCVEGCSA-N 1 2 261.321 1.793 40 0 CDABLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)OC(C)(C)C ZINC000006998388 170261428 /nfs/dbraw/zinc/26/14/28/170261428.db2.gz RWEVEEORUORBAX-SECBINFHSA-N 1 2 269.301 1.019 40 0 CDABLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)OC(C)(C)C ZINC000006998388 170261430 /nfs/dbraw/zinc/26/14/30/170261430.db2.gz RWEVEEORUORBAX-SECBINFHSA-N 1 2 269.301 1.019 40 0 CDABLO CC[C@@H](Oc1ccc(C)cc1)C(=O)N1CC[NH+](C)CC1 ZINC000008041334 170316102 /nfs/dbraw/zinc/31/61/02/170316102.db2.gz BGOGXVSNBWYANM-OAHLLOKOSA-N 1 2 276.380 1.926 40 0 CDABLO [NH3+]C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000035622881 172303995 /nfs/dbraw/zinc/30/39/95/172303995.db2.gz OFYQCQTXNGVHCI-JQWIXIFHSA-N 1 2 268.744 1.746 40 0 CDABLO [NH3+]C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000035622881 172303998 /nfs/dbraw/zinc/30/39/98/172303998.db2.gz OFYQCQTXNGVHCI-JQWIXIFHSA-N 1 2 268.744 1.746 40 0 CDABLO OC[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000070453128 175939885 /nfs/dbraw/zinc/93/98/85/175939885.db2.gz HIOTXWRERMMWHT-GFCCVEGCSA-N 1 2 291.269 1.951 40 0 CDABLO Cc1cc(N2CC(c3ccnc(N(C)C)n3)C2)nc[nH+]1 ZINC000072385587 176390353 /nfs/dbraw/zinc/39/03/53/176390353.db2.gz ONLDOSYHAJNDRC-UHFFFAOYSA-N 1 2 270.340 1.245 40 0 CDABLO COCCNC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000078550650 177352763 /nfs/dbraw/zinc/35/27/63/177352763.db2.gz HURNUUVOQOYIIT-UHFFFAOYSA-N 1 2 294.277 1.233 40 0 CDABLO Cc1ccc(O[C@H](C)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000048090282 327277712 /nfs/dbraw/zinc/27/77/12/327277712.db2.gz QVXPBEVQVWNCNG-CQSZACIVSA-N 1 2 292.379 1.211 40 0 CDABLO [NH3+][C@@H](c1nnc(Cn2cncn2)[nH]1)c1ccc(Cl)cc1 ZINC000095533973 185006618 /nfs/dbraw/zinc/00/66/18/185006618.db2.gz KVONAQANIZRGSB-LLVKDONJSA-N 1 2 289.730 1.146 40 0 CDABLO CCOC[C@H]1Cn2ccnc2C[N@H+](Cc2cnn(C)c2)C1 ZINC000096059118 185078743 /nfs/dbraw/zinc/07/87/43/185078743.db2.gz WERPHNOSRVUEAV-CQSZACIVSA-N 1 2 289.383 1.285 40 0 CDABLO CCOC[C@H]1Cn2ccnc2C[N@@H+](Cc2cnn(C)c2)C1 ZINC000096059118 185078744 /nfs/dbraw/zinc/07/87/44/185078744.db2.gz WERPHNOSRVUEAV-CQSZACIVSA-N 1 2 289.383 1.285 40 0 CDABLO Cn1ccnc1CN1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC000096084852 185092229 /nfs/dbraw/zinc/09/22/29/185092229.db2.gz WQWFGABPEDTFHS-UHFFFAOYSA-N 1 2 298.350 1.211 40 0 CDABLO Cn1nc(Cn2cc[nH+]c2)c2c1CN(C[C@@H]1CCOC1)C2 ZINC000096090994 185095528 /nfs/dbraw/zinc/09/55/28/185095528.db2.gz RKVBQFCJPUCLDL-LBPRGKRZSA-N 1 2 287.367 1.017 40 0 CDABLO CCOCC(=O)N(C)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000585182299 342232684 /nfs/dbraw/zinc/23/26/84/342232684.db2.gz DZMQQEAYGYCJMO-CYBMUJFWSA-N 1 2 277.368 1.545 40 0 CDABLO O[C@]1(COc2cccc(F)c2)CC[N@H+](Cc2cc[nH]n2)C1 ZINC000585268906 342254440 /nfs/dbraw/zinc/25/44/40/342254440.db2.gz DFGPEWVGHJUUFX-OAHLLOKOSA-N 1 2 291.326 1.565 40 0 CDABLO O[C@]1(COc2cccc(F)c2)CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000585268906 342254441 /nfs/dbraw/zinc/25/44/41/342254441.db2.gz DFGPEWVGHJUUFX-OAHLLOKOSA-N 1 2 291.326 1.565 40 0 CDABLO Cc1cc(N2CCC[C@@H](C(=O)N3CCCC3)C2)nc[nH+]1 ZINC000072368986 357830803 /nfs/dbraw/zinc/83/08/03/357830803.db2.gz YSIDZUHXSRGQIZ-CYBMUJFWSA-N 1 2 274.368 1.624 40 0 CDABLO c1cn(-c2nccnc2[C@@H]2CCCN2c2ncccn2)c[nH+]1 ZINC000072382200 357832437 /nfs/dbraw/zinc/83/24/37/357832437.db2.gz VLBOHWNFXWUTRJ-LBPRGKRZSA-N 1 2 293.334 1.794 40 0 CDABLO COC[C@H]1Cn2ccnc2C[N@H+](Cc2ccncc2)C1 ZINC000096059080 358707630 /nfs/dbraw/zinc/70/76/30/358707630.db2.gz LGIDBKLAKMKGJK-CQSZACIVSA-N 1 2 272.352 1.557 40 0 CDABLO COC[C@H]1Cn2ccnc2C[N@@H+](Cc2ccncc2)C1 ZINC000096059080 358707634 /nfs/dbraw/zinc/70/76/34/358707634.db2.gz LGIDBKLAKMKGJK-CQSZACIVSA-N 1 2 272.352 1.557 40 0 CDABLO CCCCC(=O)Nc1c[nH+]c(N(C)C)nc1N(C)C ZINC000224347786 359224606 /nfs/dbraw/zinc/22/46/06/359224606.db2.gz GCVHRQROBFVZNV-UHFFFAOYSA-N 1 2 265.361 1.737 40 0 CDABLO Cc1ccc2c(c1)c(=O)ccn2CC(=O)N1CC[NH+](C)CC1 ZINC000225746315 359614119 /nfs/dbraw/zinc/61/41/19/359614119.db2.gz WTZOTJMBVWTNCI-UHFFFAOYSA-N 1 2 299.374 1.084 40 0 CDABLO CC(=O)Nc1cnc(N2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000075161880 367948118 /nfs/dbraw/zinc/94/81/18/367948118.db2.gz ZPGSIWJOODRTAJ-UHFFFAOYSA-N 1 2 298.350 1.157 40 0 CDABLO Nc1cc(C[N@@H+]2CCO[C@H](COCC3CC3)C2)ccn1 ZINC000225617064 375172455 /nfs/dbraw/zinc/17/24/55/375172455.db2.gz VRZRVWMWZYSBFB-AWEZNQCLSA-N 1 2 277.368 1.291 40 0 CDABLO Nc1cc(C[N@H+]2CCO[C@H](COCC3CC3)C2)ccn1 ZINC000225617064 375172463 /nfs/dbraw/zinc/17/24/63/375172463.db2.gz VRZRVWMWZYSBFB-AWEZNQCLSA-N 1 2 277.368 1.291 40 0 CDABLO CCn1nc(C)c(C[NH2+]Cc2ccn(C)n2)c1F ZINC000256049520 190002067 /nfs/dbraw/zinc/00/20/67/190002067.db2.gz AHKHRLPGVUBLKH-UHFFFAOYSA-N 1 2 251.309 1.374 40 0 CDABLO CCn1cc(C[NH2+]Cc2ccn(CC(F)(F)F)n2)cn1 ZINC000256049538 190002681 /nfs/dbraw/zinc/00/26/81/190002681.db2.gz AJHVXNLCYCKYIY-UHFFFAOYSA-N 1 2 287.289 1.952 40 0 CDABLO Cc1c[nH]c([C@@H]2CCCN2S(=O)(=O)C(C)C)[nH+]1 ZINC000257271111 190024020 /nfs/dbraw/zinc/02/40/20/190024020.db2.gz MWXHTGSWLMJNOI-JTQLQIEISA-N 1 2 257.359 1.593 40 0 CDABLO Cc1c[nH]nc1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000257273052 190025109 /nfs/dbraw/zinc/02/51/09/190025109.db2.gz NFAPGRSRCUKHJQ-LBPRGKRZSA-N 1 2 273.340 1.321 40 0 CDABLO Cc1cn[nH]c1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000257273052 190025110 /nfs/dbraw/zinc/02/51/10/190025110.db2.gz NFAPGRSRCUKHJQ-LBPRGKRZSA-N 1 2 273.340 1.321 40 0 CDABLO CCOCC(=O)N1CCC[C@@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257309316 190031217 /nfs/dbraw/zinc/03/12/17/190031217.db2.gz UAKYVHFUTYQUMQ-LLVKDONJSA-N 1 2 251.330 1.461 40 0 CDABLO COc1cccc(F)c1C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1 ZINC000257325876 190034478 /nfs/dbraw/zinc/03/44/78/190034478.db2.gz WUUVLHXIRSBAFC-HOTGVXAUSA-N 1 2 295.354 1.950 40 0 CDABLO COc1cccc(F)c1C[N@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1 ZINC000257325876 190034479 /nfs/dbraw/zinc/03/44/79/190034479.db2.gz WUUVLHXIRSBAFC-HOTGVXAUSA-N 1 2 295.354 1.950 40 0 CDABLO C[NH+]1CCN([C@H]2CCCc3ccccc3C2=O)CC1 ZINC000022588771 390238887 /nfs/dbraw/zinc/23/88/87/390238887.db2.gz YNHKQOZBBSHFQT-HNNXBMFYSA-N 1 2 258.365 1.822 40 0 CDABLO CN1CC[NH+]([C@H]2CCCc3ccccc3C2=O)CC1 ZINC000022588771 390238893 /nfs/dbraw/zinc/23/88/93/390238893.db2.gz YNHKQOZBBSHFQT-HNNXBMFYSA-N 1 2 258.365 1.822 40 0 CDABLO CC(=O)N1CCN(c2ccc([C@@H](C)O)c(C)[nH+]2)CC1 ZINC000072224776 390624880 /nfs/dbraw/zinc/62/48/80/390624880.db2.gz MDBVLRHOGAPVND-LLVKDONJSA-N 1 2 263.341 1.112 40 0 CDABLO Cc1cc(N2CCC(c3cnccn3)CC2)nc[nH+]1 ZINC000072385543 390627869 /nfs/dbraw/zinc/62/78/69/390627869.db2.gz YHLSYAZXELXSSK-UHFFFAOYSA-N 1 2 255.325 1.959 40 0 CDABLO COc1ccc2ccccc2c1[C@H]1NC(=O)CC[NH2+]1 ZINC000209616338 392701796 /nfs/dbraw/zinc/70/17/96/392701796.db2.gz HSKBDAQLBPKUBA-OAHLLOKOSA-N 1 2 256.305 1.957 40 0 CDABLO CCOC(=O)[C@@]1(CC)C[NH2+]C[C@](CC)(C(=O)OCC)C1=O ZINC000031938597 285897947 /nfs/dbraw/zinc/89/79/47/285897947.db2.gz WGCCSOFWRUXEAE-GJZGRUSLSA-N 1 2 299.367 1.078 40 0 CDABLO Cc1cncnc1C1CC[NH+](Cc2nccn2C)CC1 ZINC000072364298 176379703 /nfs/dbraw/zinc/37/97/03/176379703.db2.gz MRCBEGUIMUVWGA-UHFFFAOYSA-N 1 2 271.368 1.898 40 0 CDABLO c1cnc(Nc2nccc([C@H]3CCCC[NH2+]3)n2)nc1 ZINC000072376730 176384952 /nfs/dbraw/zinc/38/49/52/176384952.db2.gz VWFZWPUTOFPTLV-SNVBAGLBSA-N 1 2 256.313 1.825 40 0 CDABLO Cn1c2ccccc2[nH+]c1N1CCC[C@H](C(N)=O)C1 ZINC000072389593 176393776 /nfs/dbraw/zinc/39/37/76/176393776.db2.gz LVDJUIFZKZSJBE-JTQLQIEISA-N 1 2 258.325 1.275 40 0 CDABLO CO[C@H]1CSC2(CN(c3cc(N(C)C)[nH+]cn3)C2)C1 ZINC000248076077 277345360 /nfs/dbraw/zinc/34/53/60/277345360.db2.gz BVLNYFKWXDPMMO-SNVBAGLBSA-N 1 2 280.397 1.253 40 0 CDABLO CO[C@H]1CSC2(CN(c3cc(N(C)C)nc[nH+]3)C2)C1 ZINC000248076077 277345361 /nfs/dbraw/zinc/34/53/61/277345361.db2.gz BVLNYFKWXDPMMO-SNVBAGLBSA-N 1 2 280.397 1.253 40 0 CDABLO O=c1[nH]n(-c2cc(C(F)(F)F)ccc2Cl)n[o+]1 ZINC000041154199 280454428 /nfs/dbraw/zinc/45/44/28/280454428.db2.gz BEBYAXVIZHFRDA-UHFFFAOYSA-O 1 2 266.586 1.724 40 0 CDABLO Cc1nc(C[N@@H+]2CCC[C@](C)(c3cc[nH]n3)C2)no1 ZINC000072386280 293264423 /nfs/dbraw/zinc/26/44/23/293264423.db2.gz UXTHRABHIRWMLA-ZDUSSCGKSA-N 1 2 261.329 1.655 40 0 CDABLO Cc1nc(C[N@H+]2CCC[C@](C)(c3cc[nH]n3)C2)no1 ZINC000072386280 293264426 /nfs/dbraw/zinc/26/44/26/293264426.db2.gz UXTHRABHIRWMLA-ZDUSSCGKSA-N 1 2 261.329 1.655 40 0 CDABLO Cc1cn(C(C)(C)C(=O)N[C@@H]2CCO[C@@H]2C)c[nH+]1 ZINC000897829186 621150150 /nfs/dbraw/zinc/15/01/50/621150150.db2.gz JAJYAUJEMJVYBW-GHMZBOCLSA-N 1 2 251.330 1.220 40 0 CDABLO CCOc1ccc([C@H]([NH3+])c2nc(COC)n[nH]2)cc1OC ZINC000095534272 185006259 /nfs/dbraw/zinc/00/62/59/185006259.db2.gz OTCGUPYHNUVFLB-ZDUSSCGKSA-N 1 2 292.339 1.407 40 0 CDABLO COC[C@@H]1C[N@H+](Cc2ccccn2)Cc2cnn(C)c21 ZINC000096060019 185081520 /nfs/dbraw/zinc/08/15/20/185081520.db2.gz AMWHMDKYVRDZGM-ZDUSSCGKSA-N 1 2 272.352 1.561 40 0 CDABLO COC[C@@H]1C[N@@H+](Cc2ccccn2)Cc2cnn(C)c21 ZINC000096060019 185081521 /nfs/dbraw/zinc/08/15/21/185081521.db2.gz AMWHMDKYVRDZGM-ZDUSSCGKSA-N 1 2 272.352 1.561 40 0 CDABLO CCOC[C@H]1c2c([nH+]cn2C)CCN1C(=O)c1ccoc1 ZINC000096066759 185084753 /nfs/dbraw/zinc/08/47/53/185084753.db2.gz ZOXNFVGJUXJEBA-ZDUSSCGKSA-N 1 2 289.335 1.789 40 0 CDABLO c1cncc(CN2CCn3c(C[NH+]4CCCC4)nnc3C2)c1 ZINC000096084940 185092597 /nfs/dbraw/zinc/09/25/97/185092597.db2.gz NIDWADZPWGBAMA-UHFFFAOYSA-N 1 2 298.394 1.285 40 0 CDABLO CC(=O)N1Cc2[nH+]cn(C)c2C[C@@H]1COCC1CC1 ZINC000585094557 342211244 /nfs/dbraw/zinc/21/12/44/342211244.db2.gz BAWCOUCYUOIEIC-GFCCVEGCSA-N 1 2 263.341 1.120 40 0 CDABLO COC(=O)[C@@H](c1ccccc1F)[N@@H+]1CC[C@H](CCO)C1 ZINC000072687210 342427622 /nfs/dbraw/zinc/42/76/22/342427622.db2.gz SDGLQXFBKMFULS-BXUZGUMPSA-N 1 2 281.327 1.744 40 0 CDABLO COC(=O)[C@@H](c1ccccc1F)[N@H+]1CC[C@H](CCO)C1 ZINC000072687210 342427623 /nfs/dbraw/zinc/42/76/23/342427623.db2.gz SDGLQXFBKMFULS-BXUZGUMPSA-N 1 2 281.327 1.744 40 0 CDABLO C[C@@H]1c2[nH+]cc(Cn3cccn3)n2CCN1[C@H]1CCOC1 ZINC000107218841 186163126 /nfs/dbraw/zinc/16/31/26/186163126.db2.gz IMAYFHAHRVZQKQ-OLZOCXBDSA-N 1 2 287.367 1.293 40 0 CDABLO CC[N@@H+]1CCO[C@H]2CCN(Cc3cccc(OC)n3)C[C@@H]21 ZINC000108524976 186220596 /nfs/dbraw/zinc/22/05/96/186220596.db2.gz VSYDPXCOZDCATF-GJZGRUSLSA-N 1 2 291.395 1.385 40 0 CDABLO CC[N@H+]1CCO[C@H]2CCN(Cc3cccc(OC)n3)C[C@@H]21 ZINC000108524976 186220598 /nfs/dbraw/zinc/22/05/98/186220598.db2.gz VSYDPXCOZDCATF-GJZGRUSLSA-N 1 2 291.395 1.385 40 0 CDABLO Cc1ccc(S(=O)(=O)N2CCCN3CCC[NH+]=C32)cc1 ZINC000016310107 356436800 /nfs/dbraw/zinc/43/68/00/356436800.db2.gz AUTNSYFXFMRAHD-UHFFFAOYSA-N 1 2 293.392 1.451 40 0 CDABLO Cc1nc([C@H]2CCCN(c3cc(C)[nH+]cn3)C2)no1 ZINC000072385549 357831881 /nfs/dbraw/zinc/83/18/81/357831881.db2.gz IOUYVRPNHBKIMS-NSHDSACASA-N 1 2 259.313 1.860 40 0 CDABLO CNC(=O)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)O1 ZINC000096187253 358715467 /nfs/dbraw/zinc/71/54/67/358715467.db2.gz AMKISBWEPSPZLI-GMTAPVOTSA-N 1 2 281.381 1.011 40 0 CDABLO CNC(=O)[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)O1 ZINC000096187253 358715472 /nfs/dbraw/zinc/71/54/72/358715472.db2.gz AMKISBWEPSPZLI-GMTAPVOTSA-N 1 2 281.381 1.011 40 0 CDABLO CC(C)(C)C(=O)N1CC[NH+](C[C@H](O)c2cccs2)CC1 ZINC000049031275 373981411 /nfs/dbraw/zinc/98/14/11/373981411.db2.gz HXFDBMHTCIJVBD-LBPRGKRZSA-N 1 2 296.436 1.972 40 0 CDABLO O=C(C[NH+]1CCCC1)N1CCC[C@H](c2ccncn2)C1 ZINC000257324692 190033949 /nfs/dbraw/zinc/03/39/49/190033949.db2.gz WPSNGZJRTAYKND-ZDUSSCGKSA-N 1 2 274.368 1.278 40 0 CDABLO COC(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1c1c[nH+]c[nH]1 ZINC000242688617 376063471 /nfs/dbraw/zinc/06/34/71/376063471.db2.gz VUYIUYOXVUMQSM-ISVAXAHUSA-N 1 2 281.312 1.334 40 0 CDABLO COC(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1c1c[nH]c[nH+]1 ZINC000242688617 376063476 /nfs/dbraw/zinc/06/34/76/376063476.db2.gz VUYIUYOXVUMQSM-ISVAXAHUSA-N 1 2 281.312 1.334 40 0 CDABLO CCn1cc[nH+]c1CNC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000331333800 376868762 /nfs/dbraw/zinc/86/87/62/376868762.db2.gz POVXLRYGWLDPTQ-LLVKDONJSA-N 1 2 292.383 1.166 40 0 CDABLO CCN(CC)c1cc(N2CCC[C@H](O)C2)nc[nH+]1 ZINC000040434354 378072007 /nfs/dbraw/zinc/07/20/07/378072007.db2.gz IRJPKTCLIARWBE-NSHDSACASA-N 1 2 250.346 1.284 40 0 CDABLO CCN(CC)c1cc(N2CCC[C@H](O)C2)[nH+]cn1 ZINC000040434354 378072013 /nfs/dbraw/zinc/07/20/13/378072013.db2.gz IRJPKTCLIARWBE-NSHDSACASA-N 1 2 250.346 1.284 40 0 CDABLO CCn1ccc(C[NH2+]Cc2cc(C(F)(F)F)nn2C)n1 ZINC000020349830 171155477 /nfs/dbraw/zinc/15/54/77/171155477.db2.gz OQXVRDYOQMCIRM-UHFFFAOYSA-N 1 2 287.289 1.945 40 0 CDABLO Cc1cc(N2CC[C@@H](c3nn(C)c4nccnc34)C2)nc[nH+]1 ZINC000072364119 176378862 /nfs/dbraw/zinc/37/88/62/176378862.db2.gz JPZIMMVFQYUJKD-LLVKDONJSA-N 1 2 295.350 1.456 40 0 CDABLO C[C@@H]1C[N@H+](Cc2ccco2)CCN1C(=O)c1cnccn1 ZINC000072324131 288219970 /nfs/dbraw/zinc/21/99/70/288219970.db2.gz NPWTYVRTSAUYFN-GFCCVEGCSA-N 1 2 286.335 1.416 40 0 CDABLO C[C@@H]1C[N@@H+](Cc2ccco2)CCN1C(=O)c1cnccn1 ZINC000072324131 288219971 /nfs/dbraw/zinc/21/99/71/288219971.db2.gz NPWTYVRTSAUYFN-GFCCVEGCSA-N 1 2 286.335 1.416 40 0 CDABLO Cn1cccc1C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000096060912 294378570 /nfs/dbraw/zinc/37/85/70/294378570.db2.gz LINJPDIELDVDKX-UHFFFAOYSA-N 1 2 270.336 1.512 40 0 CDABLO CCOC(=O)[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1ccccc1 ZINC000199815702 570372635 /nfs/dbraw/zinc/37/26/35/570372635.db2.gz MXMJGAMEFKMLPX-KBPBESRZSA-N 1 2 263.337 1.575 40 0 CDABLO CCOC(=O)[C@@H]1C[C@@H](O)CC[N@H+]1Cc1ccccc1 ZINC000199815702 570372636 /nfs/dbraw/zinc/37/26/36/570372636.db2.gz MXMJGAMEFKMLPX-KBPBESRZSA-N 1 2 263.337 1.575 40 0 CDABLO [NH3+][C@@H](c1nnc(Cn2cccn2)[nH]1)c1ccc(Cl)cc1 ZINC000095533982 185006762 /nfs/dbraw/zinc/00/67/62/185006762.db2.gz OPGRSSIDJJUONS-GFCCVEGCSA-N 1 2 288.742 1.751 40 0 CDABLO Cc1csc(NC(=O)[C@]2(C)C[N@H+](C)CCO2)n1 ZINC000205679820 348743995 /nfs/dbraw/zinc/74/39/95/348743995.db2.gz ABVRMTPGCGMBML-NSHDSACASA-N 1 2 255.343 1.111 40 0 CDABLO Cc1csc(NC(=O)[C@]2(C)C[N@@H+](C)CCO2)n1 ZINC000205679820 348743996 /nfs/dbraw/zinc/74/39/96/348743996.db2.gz ABVRMTPGCGMBML-NSHDSACASA-N 1 2 255.343 1.111 40 0 CDABLO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2N1C(=O)Cn1cc[nH+]c1 ZINC000019287474 356480023 /nfs/dbraw/zinc/48/00/23/356480023.db2.gz OYBZPAYDWKEGFM-RISCZKNCSA-N 1 2 283.335 1.270 40 0 CDABLO O=C(c1cccs1)N1CCO[C@H](Cn2cc[nH+]c2)C1 ZINC000019342724 356480737 /nfs/dbraw/zinc/48/07/37/356480737.db2.gz CHTRGGOWXSKZKZ-LLVKDONJSA-N 1 2 277.349 1.486 40 0 CDABLO OCC[N@@H+]1CCO[C@](O)(c2cccc(C(F)(F)F)c2)C1 ZINC000031771863 356770122 /nfs/dbraw/zinc/77/01/22/356770122.db2.gz PAFDHXLIBLVPAZ-LBPRGKRZSA-N 1 2 291.269 1.175 40 0 CDABLO OCC[N@H+]1CCO[C@](O)(c2cccc(C(F)(F)F)c2)C1 ZINC000031771863 356770125 /nfs/dbraw/zinc/77/01/25/356770125.db2.gz PAFDHXLIBLVPAZ-LBPRGKRZSA-N 1 2 291.269 1.175 40 0 CDABLO c1cnc(N2C[C@@H]3COC[C@]3(CNc3cccc[nH+]3)C2)nc1 ZINC000096218143 358721960 /nfs/dbraw/zinc/72/19/60/358721960.db2.gz WDFPFYBUAZVMJK-CJNGLKHVSA-N 1 2 297.362 1.437 40 0 CDABLO Cn1cc[nH+]c1CN1CCO[C@H](Cc2ccccc2)C1 ZINC000181548304 189300569 /nfs/dbraw/zinc/30/05/69/189300569.db2.gz HZJKGANPYJOQQY-OAHLLOKOSA-N 1 2 271.364 1.864 40 0 CDABLO C[N@H+](CCS(C)(=O)=O)[C@H](CCO)c1ccccc1 ZINC000075899760 366920371 /nfs/dbraw/zinc/92/03/71/366920371.db2.gz LQODJKLZBBDQBT-CYBMUJFWSA-N 1 2 271.382 1.087 40 0 CDABLO C[N@@H+](CCS(C)(=O)=O)[C@H](CCO)c1ccccc1 ZINC000075899760 366920374 /nfs/dbraw/zinc/92/03/74/366920374.db2.gz LQODJKLZBBDQBT-CYBMUJFWSA-N 1 2 271.382 1.087 40 0 CDABLO Cc1nc(C(=O)N2C[C@@H]3c4[nH+]ccn4C[C@@H]3C2)cs1 ZINC000306125055 374968644 /nfs/dbraw/zinc/96/86/44/374968644.db2.gz CFWYGVAYVQNSSL-ZJUUUORDSA-N 1 2 274.349 1.517 40 0 CDABLO Cc1cnn(C)c1C[NH2+]Cc1cc(C(F)(F)F)n(C)n1 ZINC000256051166 190003719 /nfs/dbraw/zinc/00/37/19/190003719.db2.gz IABWTANJULPYSO-UHFFFAOYSA-N 1 2 287.289 1.771 40 0 CDABLO Cc1nccc(C[C@H]2COCC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000257215359 190013216 /nfs/dbraw/zinc/01/32/16/190013216.db2.gz CPTGIDHCTADWNV-CYBMUJFWSA-N 1 2 287.367 1.199 40 0 CDABLO Cc1nccc(C[C@H]2COCC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000257215359 190013217 /nfs/dbraw/zinc/01/32/17/190013217.db2.gz CPTGIDHCTADWNV-CYBMUJFWSA-N 1 2 287.367 1.199 40 0 CDABLO Cc1nccc(C[C@H]2COCCN(Cc3[nH]cc[nH+]3)C2)n1 ZINC000257215359 190013218 /nfs/dbraw/zinc/01/32/18/190013218.db2.gz CPTGIDHCTADWNV-CYBMUJFWSA-N 1 2 287.367 1.199 40 0 CDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)Cc2cccnc2)[nH+]1 ZINC000257216401 190013915 /nfs/dbraw/zinc/01/39/15/190013915.db2.gz CUKHACYHUYOTGN-CYBMUJFWSA-N 1 2 286.335 1.256 40 0 CDABLO Cc1cn(C)c([C@H]2CCN(S(=O)(=O)C(C)C)C2)[nH+]1 ZINC000257271006 190023700 /nfs/dbraw/zinc/02/37/00/190023700.db2.gz MWLSLPCEDJJKJE-NSHDSACASA-N 1 2 271.386 1.256 40 0 CDABLO c1cnc(Nc2nccc([C@@H]3CCC[NH2+]C3)n2)nc1 ZINC000257319324 190033896 /nfs/dbraw/zinc/03/38/96/190033896.db2.gz VRWRBIDSICKTIB-SNVBAGLBSA-N 1 2 256.313 1.477 40 0 CDABLO Cc1c[nH]c([C@H]2CCN(S(=O)(=O)C(C)C)C2)[nH+]1 ZINC000257322620 190034112 /nfs/dbraw/zinc/03/41/12/190034112.db2.gz WGSAFXGVJOOSRX-JTQLQIEISA-N 1 2 257.359 1.246 40 0 CDABLO Cc1cc(C)nc([C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000257325621 190034446 /nfs/dbraw/zinc/03/44/46/190034446.db2.gz WTSOFSBVTPHCIC-CQSZACIVSA-N 1 2 274.412 1.977 40 0 CDABLO Cc1cc(C)nc([C@@H]2CC[N@H+](C3CCN(C)CC3)C2)n1 ZINC000257325621 190034447 /nfs/dbraw/zinc/03/44/47/190034447.db2.gz WTSOFSBVTPHCIC-CQSZACIVSA-N 1 2 274.412 1.977 40 0 CDABLO C[C@H]1CCc2n[nH]c(C(=O)N[C@H]3C[NH+]4CCC3CC4)c2C1 ZINC000012146883 390202356 /nfs/dbraw/zinc/20/23/56/390202356.db2.gz IPZMEBHLTDWGEL-HZMBPMFUSA-N 1 2 288.395 1.359 40 0 CDABLO CCC(=O)c1c[nH+]c(N2CCN(C=O)CC2)cc1C ZINC000072223677 390623922 /nfs/dbraw/zinc/62/39/22/390623922.db2.gz MPXWQZBJQDKDDT-UHFFFAOYSA-N 1 2 261.325 1.261 40 0 CDABLO O=C(NCCCn1cc[nH+]c1)[C@H]1COc2ccccc2O1 ZINC000006315883 170190428 /nfs/dbraw/zinc/19/04/28/170190428.db2.gz AMAIXQLOMORKLR-CQSZACIVSA-N 1 2 287.319 1.229 40 0 CDABLO C[N@@H+]1C[C@@H]2C[C@H]1C(=O)N(CC1CC1)c1ccccc1O2 ZINC000096111806 290289213 /nfs/dbraw/zinc/28/92/13/290289213.db2.gz JMLXUYPEPYZIAY-JSGCOSHPSA-N 1 2 272.348 1.895 40 0 biogenic,in-vitro CDABLO C[N@H+]1C[C@@H]2C[C@H]1C(=O)N(CC1CC1)c1ccccc1O2 ZINC000096111806 290289217 /nfs/dbraw/zinc/28/92/17/290289217.db2.gz JMLXUYPEPYZIAY-JSGCOSHPSA-N 1 2 272.348 1.895 40 0 biogenic,in-vitro CDABLO COc1cccc(N2C(=[NH2+])S[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000004226913 295304576 /nfs/dbraw/zinc/30/45/76/295304576.db2.gz PCIWHLWNVCOXMC-MNOVXSKESA-N 1 2 298.389 1.349 40 0 CDABLO COC[C@@H]1CN(Cc2ccoc2)Cc2[nH+]cn(C)c21 ZINC000096086906 185094023 /nfs/dbraw/zinc/09/40/23/185094023.db2.gz LARSSDHSKDTYBS-LBPRGKRZSA-N 1 2 261.325 1.759 40 0 CDABLO COC[C@@H]1C[N@H+](Cc2ccoc2)Cc2ncn(C)c21 ZINC000096086906 185094024 /nfs/dbraw/zinc/09/40/24/185094024.db2.gz LARSSDHSKDTYBS-LBPRGKRZSA-N 1 2 261.325 1.759 40 0 CDABLO COC[C@@H]1C[N@@H+](Cc2ccoc2)Cc2ncn(C)c21 ZINC000096086906 185094025 /nfs/dbraw/zinc/09/40/25/185094025.db2.gz LARSSDHSKDTYBS-LBPRGKRZSA-N 1 2 261.325 1.759 40 0 CDABLO CCC[N@@H+]1CCc2oc(C(=O)N3CC[C@H](OC)C3)nc2C1 ZINC000585112939 342213611 /nfs/dbraw/zinc/21/36/11/342213611.db2.gz WZAWHHSYKNDWCZ-NSHDSACASA-N 1 2 293.367 1.304 40 0 CDABLO CCC[N@H+]1CCc2oc(C(=O)N3CC[C@H](OC)C3)nc2C1 ZINC000585112939 342213612 /nfs/dbraw/zinc/21/36/12/342213612.db2.gz WZAWHHSYKNDWCZ-NSHDSACASA-N 1 2 293.367 1.304 40 0 CDABLO COC(=O)[C@H]1C[C@@H](OC(F)(F)C(F)(F)F)C[NH2+]1 ZINC000091252438 180114868 /nfs/dbraw/zinc/11/48/68/180114868.db2.gz LUZWKJBKRPZRDY-RFZPGFLSSA-N 1 2 263.162 1.062 40 0 CDABLO C[C@H]1CCC[N@H+](Cc2nnnn2Cc2ccccc2)C1 ZINC000004230609 363206822 /nfs/dbraw/zinc/20/68/22/363206822.db2.gz QPKPMZVEGZXLGT-ZDUSSCGKSA-N 1 2 271.368 1.953 40 0 CDABLO C[C@H]1CCC[N@@H+](Cc2nnnn2Cc2ccccc2)C1 ZINC000004230609 363206826 /nfs/dbraw/zinc/20/68/26/363206826.db2.gz QPKPMZVEGZXLGT-ZDUSSCGKSA-N 1 2 271.368 1.953 40 0 CDABLO CCOC(=O)C[C@@H](C(=O)OCC)[NH+]1CCCCC1 ZINC000090471047 358477174 /nfs/dbraw/zinc/47/71/74/358477174.db2.gz LFPMXVZGCHUQTA-NSHDSACASA-N 1 2 257.330 1.357 40 0 CDABLO CCOc1ccc([NH2+]C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000016741333 356446528 /nfs/dbraw/zinc/44/65/28/356446528.db2.gz SFOFBVJUHLSHGY-LLVKDONJSA-N 1 2 269.366 1.932 40 0 CDABLO Cc1[nH+]c2ccccc2n1CCC(=O)NCc1nccn1C ZINC000019286762 356480071 /nfs/dbraw/zinc/48/00/71/356480071.db2.gz RIJNIGPNCWVQGO-UHFFFAOYSA-N 1 2 297.362 1.785 40 0 CDABLO COC[C@@H]1c2c(cnn2C)CC[N@H+]1Cc1scnc1C ZINC000096197732 358716280 /nfs/dbraw/zinc/71/62/80/358716280.db2.gz JJJGCONPWWIKMY-GFCCVEGCSA-N 1 2 292.408 1.931 40 0 CDABLO COC[C@@H]1c2c(cnn2C)CC[N@@H+]1Cc1scnc1C ZINC000096197732 358716282 /nfs/dbraw/zinc/71/62/82/358716282.db2.gz JJJGCONPWWIKMY-GFCCVEGCSA-N 1 2 292.408 1.931 40 0 CDABLO COc1ncccc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000044442818 360437065 /nfs/dbraw/zinc/43/70/65/360437065.db2.gz OHTIIUZNCWQYIA-UHFFFAOYSA-N 1 2 298.346 1.448 40 0 CDABLO CCN(CC)c1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000079440035 374405344 /nfs/dbraw/zinc/40/53/44/374405344.db2.gz IKLWUYRZOJASRP-GFCCVEGCSA-N 1 2 264.373 1.532 40 0 CDABLO CCN(CC)c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000079440035 374405349 /nfs/dbraw/zinc/40/53/49/374405349.db2.gz IKLWUYRZOJASRP-GFCCVEGCSA-N 1 2 264.373 1.532 40 0 CDABLO O=C(NCCc1cccc2[nH]ccc21)NCCn1cc[nH+]c1 ZINC000225695498 375183124 /nfs/dbraw/zinc/18/31/24/375183124.db2.gz FMYJFOVMWQYCHF-UHFFFAOYSA-N 1 2 297.362 1.906 40 0 CDABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3cncs3)C2)[nH+]1 ZINC000257207367 190011360 /nfs/dbraw/zinc/01/13/60/190011360.db2.gz BHLPGLSDXFBFKO-JTQLQIEISA-N 1 2 276.365 1.815 40 0 CDABLO CN1CC[N@H+](Cc2cncnc2)C[C@H]1c1ccccc1 ZINC000257225245 190015513 /nfs/dbraw/zinc/01/55/13/190015513.db2.gz FFKUEMUSGXJIJM-INIZCTEOSA-N 1 2 268.364 1.965 40 0 CDABLO CN1CC[N@@H+](Cc2cncnc2)C[C@H]1c1ccccc1 ZINC000257225245 190015514 /nfs/dbraw/zinc/01/55/14/190015514.db2.gz FFKUEMUSGXJIJM-INIZCTEOSA-N 1 2 268.364 1.965 40 0 CDABLO Nc1nccnc1[C@H]1C[N@H+](Cc2ccsc2)CCO1 ZINC000257231038 190015880 /nfs/dbraw/zinc/01/58/80/190015880.db2.gz GEYWUGNJQZEFQU-LLVKDONJSA-N 1 2 276.365 1.694 40 0 CDABLO Nc1nccnc1[C@H]1C[N@@H+](Cc2ccsc2)CCO1 ZINC000257231038 190015881 /nfs/dbraw/zinc/01/58/81/190015881.db2.gz GEYWUGNJQZEFQU-LLVKDONJSA-N 1 2 276.365 1.694 40 0 CDABLO O=C(c1cccs1)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257263829 190022074 /nfs/dbraw/zinc/02/20/74/190022074.db2.gz LRRDSZHWJDEDBX-RYUDHWBXSA-N 1 2 291.376 1.783 40 0 CDABLO COc1c(C)[nH+]cnc1N1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000656191182 413085153 /nfs/dbraw/zinc/08/51/53/413085153.db2.gz OJIKUWJEVIQXPH-LLVKDONJSA-N 1 2 299.396 1.055 40 0 CDABLO Cc1n[nH]c(C[NH+]2CCCC2)c1I ZINC000038602297 174149244 /nfs/dbraw/zinc/14/92/44/174149244.db2.gz ORBMGEIOZVHZER-UHFFFAOYSA-N 1 2 291.136 1.919 40 0 CDABLO COCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038833012 174157098 /nfs/dbraw/zinc/15/70/98/174157098.db2.gz NPWWAOOJYFXULQ-UHFFFAOYSA-N 1 2 259.309 1.308 40 0 CDABLO Cc1ccc(O[C@@H](C)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000046463420 175396704 /nfs/dbraw/zinc/39/67/04/175396704.db2.gz HKPMBHHRTNMIOB-ZDUSSCGKSA-N 1 2 262.353 1.536 40 0 CDABLO CNc1cncc([C@H]2CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000072380950 176386985 /nfs/dbraw/zinc/38/69/85/176386985.db2.gz RVVSZRFYRPQNSL-LLVKDONJSA-N 1 2 258.329 1.579 40 0 CDABLO Cc1cccc(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000225510095 281240838 /nfs/dbraw/zinc/24/08/38/281240838.db2.gz OJQAUNJTYBVSSL-SNVBAGLBSA-N 1 2 256.309 1.857 40 0 CDABLO Cc1cccc(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000225510095 281240842 /nfs/dbraw/zinc/24/08/42/281240842.db2.gz OJQAUNJTYBVSSL-SNVBAGLBSA-N 1 2 256.309 1.857 40 0 CDABLO COc1ccc([C@H]([NH3+])c2n[nH]c(-c3ccncc3)n2)cc1 ZINC000095533644 185007244 /nfs/dbraw/zinc/00/72/44/185007244.db2.gz WOCFFQJLLDZEST-ZDUSSCGKSA-N 1 2 281.319 1.923 40 0 CDABLO COC[C@H]1c2c(cnn2C)CC[N@H+]1Cc1ccco1 ZINC000096044477 185071147 /nfs/dbraw/zinc/07/11/47/185071147.db2.gz OXXBIYIWXLXXGD-ZDUSSCGKSA-N 1 2 261.325 1.759 40 0 CDABLO COC[C@H]1c2c(cnn2C)CC[N@@H+]1Cc1ccco1 ZINC000096044477 185071149 /nfs/dbraw/zinc/07/11/49/185071149.db2.gz OXXBIYIWXLXXGD-ZDUSSCGKSA-N 1 2 261.325 1.759 40 0 CDABLO Cc1cccnc1CN1Cc2[nH+]cn(C)c2C[C@@H]1CO ZINC000585094827 342211293 /nfs/dbraw/zinc/21/12/93/342211293.db2.gz OLHDPFKBMYDROD-GFCCVEGCSA-N 1 2 272.352 1.043 40 0 CDABLO COC[C@H]1CCn2nccc2C[N@@H+]1Cc1cncc(C)n1 ZINC000585098349 342211715 /nfs/dbraw/zinc/21/17/15/342211715.db2.gz WOCFJQCOWIDHBZ-OAHLLOKOSA-N 1 2 287.367 1.402 40 0 CDABLO COC[C@H]1CCn2nccc2C[N@H+]1Cc1cncc(C)n1 ZINC000585098349 342211716 /nfs/dbraw/zinc/21/17/16/342211716.db2.gz WOCFJQCOWIDHBZ-OAHLLOKOSA-N 1 2 287.367 1.402 40 0 CDABLO OC[C@H]1CCn2nccc2C[N@@H+]1Cc1ccccn1 ZINC000585097238 342211837 /nfs/dbraw/zinc/21/18/37/342211837.db2.gz IZUAXLQMXCVTCA-CQSZACIVSA-N 1 2 258.325 1.045 40 0 CDABLO OC[C@H]1CCn2nccc2C[N@H+]1Cc1ccccn1 ZINC000585097238 342211838 /nfs/dbraw/zinc/21/18/38/342211838.db2.gz IZUAXLQMXCVTCA-CQSZACIVSA-N 1 2 258.325 1.045 40 0 CDABLO Cc1cn(C)c([C@H]2CCCN(S(=O)(=O)C(C)C)C2)[nH+]1 ZINC000585181398 342232677 /nfs/dbraw/zinc/23/26/77/342232677.db2.gz JFXFTKJIAXEOOJ-LBPRGKRZSA-N 1 2 285.413 1.646 40 0 CDABLO OC[C@@]1(Cc2ccccc2)C[N@H+](Cc2ccncc2)CCO1 ZINC000585269439 342255553 /nfs/dbraw/zinc/25/55/53/342255553.db2.gz UPSUTNTWRAIJOQ-GOSISDBHSA-N 1 2 298.386 1.888 40 0 CDABLO OC[C@@]1(Cc2ccccc2)C[N@@H+](Cc2ccncc2)CCO1 ZINC000585269439 342255554 /nfs/dbraw/zinc/25/55/54/342255554.db2.gz UPSUTNTWRAIJOQ-GOSISDBHSA-N 1 2 298.386 1.888 40 0 CDABLO Cc1cccc(CO[C@@H]2CCOC3(C[NH+](C)C3)C2)n1 ZINC000247876434 362136132 /nfs/dbraw/zinc/13/61/32/362136132.db2.gz OWWCDHSGPYBOHA-CQSZACIVSA-N 1 2 262.353 1.770 40 0 CDABLO O=C(Cc1cccnc1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000131021010 136388954 /nfs/dbraw/zinc/38/89/54/136388954.db2.gz NIBORMKMXTZWLL-HNNXBMFYSA-N 1 2 296.374 1.804 40 0 CDABLO c1[nH+]cn2c1CN(c1ncccn1)C[C@@H]2COCC1CC1 ZINC000253596082 362441429 /nfs/dbraw/zinc/44/14/29/362441429.db2.gz MYTMLRPBDLCZLK-CQSZACIVSA-N 1 2 285.351 1.661 40 0 CDABLO CN(C(=O)Cn1cccn1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257303094 362583762 /nfs/dbraw/zinc/58/37/62/362583762.db2.gz SFSYNACDEKNHOC-CQSZACIVSA-N 1 2 299.378 1.406 40 0 CDABLO CSc1c2c(cc3c1[C@@H](O)[N@H+](C)CC3)OCO2 ZINC000261829915 362773859 /nfs/dbraw/zinc/77/38/59/362773859.db2.gz ZBBMEVCSRBMGTB-GFCCVEGCSA-N 1 2 253.323 1.616 40 0 CDABLO CSc1c2c(cc3c1[C@@H](O)[N@@H+](C)CC3)OCO2 ZINC000261829915 362773865 /nfs/dbraw/zinc/77/38/65/362773865.db2.gz ZBBMEVCSRBMGTB-GFCCVEGCSA-N 1 2 253.323 1.616 40 0 CDABLO Cc1cncc(N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000061927268 362954923 /nfs/dbraw/zinc/95/49/23/362954923.db2.gz KOYUKPKGHSPLHF-UHFFFAOYSA-N 1 2 255.325 1.507 40 0 CDABLO O=C(c1ccncc1)N1C[C@H]2C[N@H+](Cc3ccc[nH]3)[C@@H]2C1 ZINC000107798466 186191610 /nfs/dbraw/zinc/19/16/10/186191610.db2.gz LLLKLBFCEXDSIR-UKRRQHHQSA-N 1 2 282.347 1.366 40 0 CDABLO O=C(c1ccncc1)N1C[C@H]2C[N@@H+](Cc3ccc[nH]3)[C@@H]2C1 ZINC000107798466 186191612 /nfs/dbraw/zinc/19/16/12/186191612.db2.gz LLLKLBFCEXDSIR-UKRRQHHQSA-N 1 2 282.347 1.366 40 0 CDABLO CCn1c(=O)c2ccccc2nc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000012146473 356288764 /nfs/dbraw/zinc/28/87/64/356288764.db2.gz YFISLKLMRBHVSC-GFCCVEGCSA-N 1 2 287.363 1.373 40 0 CDABLO CCn1c(=O)c2ccccc2nc1C[N@H+]1CCC[C@@H](O)C1 ZINC000012146473 356288766 /nfs/dbraw/zinc/28/87/66/356288766.db2.gz YFISLKLMRBHVSC-GFCCVEGCSA-N 1 2 287.363 1.373 40 0 CDABLO COc1ccc(C(=O)O[C@@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000019456171 358065947 /nfs/dbraw/zinc/06/59/47/358065947.db2.gz PZLZFQBGMVTMFC-ZDUSSCGKSA-N 1 2 292.379 1.488 40 0 CDABLO C[C@@H]1c2[nH+]cc(Cn3cccn3)n2CCN1[C@@H]1CCOC1 ZINC000096201266 358718632 /nfs/dbraw/zinc/71/86/32/358718632.db2.gz IMAYFHAHRVZQKQ-CHWSQXEVSA-N 1 2 287.367 1.293 40 0 CDABLO O[C@@H]1CCC[N@H+](Cc2ccc(Br)o2)C1 ZINC000050103509 359310945 /nfs/dbraw/zinc/31/09/45/359310945.db2.gz KEIPEOUCOBMYCZ-MRVPVSSYSA-N 1 2 260.131 1.999 40 0 CDABLO O[C@@H]1CCC[N@@H+](Cc2ccc(Br)o2)C1 ZINC000050103509 359310949 /nfs/dbraw/zinc/31/09/49/359310949.db2.gz KEIPEOUCOBMYCZ-MRVPVSSYSA-N 1 2 260.131 1.999 40 0 CDABLO Cc1n[nH]c(C)c1NC(=O)C[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000075893553 366917268 /nfs/dbraw/zinc/91/72/68/366917268.db2.gz NXTRUMQQBFCORP-IUCAKERBSA-N 1 2 282.413 1.791 40 0 CDABLO CCCc1nnc([C@H]2CC[N@H+](Cc3ncc[nH]3)C2)o1 ZINC000049170352 373981659 /nfs/dbraw/zinc/98/16/59/373981659.db2.gz RCZGLSKHVXNRSR-JTQLQIEISA-N 1 2 261.329 1.735 40 0 biogenic,in-vitro CDABLO CCCc1nnc([C@H]2CC[N@@H+](Cc3ncc[nH]3)C2)o1 ZINC000049170352 373981667 /nfs/dbraw/zinc/98/16/67/373981667.db2.gz RCZGLSKHVXNRSR-JTQLQIEISA-N 1 2 261.329 1.735 40 0 biogenic,in-vitro CDABLO C[C@@H](C[N@@H+]1CCO[C@@H](C(N)=O)C1)c1cccc(Cl)c1 ZINC000225476980 374482476 /nfs/dbraw/zinc/48/24/76/374482476.db2.gz ZZTLEJDCAGSXOB-GXFFZTMASA-N 1 2 282.771 1.630 40 0 CDABLO C[C@@H](C[N@H+]1CCO[C@@H](C(N)=O)C1)c1cccc(Cl)c1 ZINC000225476980 374482485 /nfs/dbraw/zinc/48/24/85/374482485.db2.gz ZZTLEJDCAGSXOB-GXFFZTMASA-N 1 2 282.771 1.630 40 0 CDABLO O=C(C[N@@H+]1CCO[C@@H]2CCC[C@@H]21)NCc1ccc(F)cc1 ZINC000079354441 374795491 /nfs/dbraw/zinc/79/54/91/374795491.db2.gz KLOKVXDQAWXXLG-LSDHHAIUSA-N 1 2 292.354 1.695 40 0 CDABLO O=C(C[N@H+]1CCO[C@@H]2CCC[C@@H]21)NCc1ccc(F)cc1 ZINC000079354441 374795497 /nfs/dbraw/zinc/79/54/97/374795497.db2.gz KLOKVXDQAWXXLG-LSDHHAIUSA-N 1 2 292.354 1.695 40 0 CDABLO C[N@@H+]1CCO[C@H]2CN(Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC000230181014 375533742 /nfs/dbraw/zinc/53/37/42/375533742.db2.gz RUCXTLUGYSUGFX-KGLIPLIRSA-N 1 2 284.762 1.994 40 0 CDABLO C[N@H+]1CCO[C@H]2CN(Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC000230181014 375533745 /nfs/dbraw/zinc/53/37/45/375533745.db2.gz RUCXTLUGYSUGFX-KGLIPLIRSA-N 1 2 284.762 1.994 40 0 CDABLO CN1CCO[C@H]2C[N@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC000230181014 375533750 /nfs/dbraw/zinc/53/37/50/375533750.db2.gz RUCXTLUGYSUGFX-KGLIPLIRSA-N 1 2 284.762 1.994 40 0 CDABLO CN1CCO[C@H]2C[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC000230181014 375533755 /nfs/dbraw/zinc/53/37/55/375533755.db2.gz RUCXTLUGYSUGFX-KGLIPLIRSA-N 1 2 284.762 1.994 40 0 CDABLO CCn1nccc1C[NH2+]Cc1cnn(CC)c1F ZINC000256054977 190005736 /nfs/dbraw/zinc/00/57/36/190005736.db2.gz YPFWRVXVULRAKU-UHFFFAOYSA-N 1 2 251.309 1.548 40 0 CDABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3cnc(C)cn3)C2)[nH+]1 ZINC000257221025 190014863 /nfs/dbraw/zinc/01/48/63/190014863.db2.gz DNEZCQYUWMEXSC-GFCCVEGCSA-N 1 2 285.351 1.457 40 0 CDABLO Cc1cc([C@@H]2CN(Cc3[nH]cc[nH+]3)CCO2)nc(C)n1 ZINC000257272908 190024636 /nfs/dbraw/zinc/02/46/36/190024636.db2.gz NEIMUKXUQGHXNO-ZDUSSCGKSA-N 1 2 273.340 1.390 40 0 CDABLO NC(=O)C[N@@H+]1CCOC[C@H](Cc2ccccc2Cl)C1 ZINC000257326901 190035219 /nfs/dbraw/zinc/03/52/19/190035219.db2.gz WZBMLDUJWRQWFC-LLVKDONJSA-N 1 2 282.771 1.316 40 0 CDABLO NC(=O)C[N@H+]1CCOC[C@H](Cc2ccccc2Cl)C1 ZINC000257326901 190035220 /nfs/dbraw/zinc/03/52/20/190035220.db2.gz WZBMLDUJWRQWFC-LLVKDONJSA-N 1 2 282.771 1.316 40 0 CDABLO CC[C@H](O)c1ccc(N2CCN(C=O)CC2)[nH+]c1C ZINC000072224726 390625061 /nfs/dbraw/zinc/62/50/61/390625061.db2.gz MFXDDLRPBZOIOR-ZDUSSCGKSA-N 1 2 263.341 1.112 40 0 CDABLO Cc1ccc(-n2nnnc2C[NH+]2CCCCC2)cc1 ZINC000004907296 170040191 /nfs/dbraw/zinc/04/01/91/170040191.db2.gz QKSZHSIGFRUBRU-UHFFFAOYSA-N 1 2 257.341 1.957 40 0 CDABLO COc1ccc(S[C@H](C)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000043856369 175115715 /nfs/dbraw/zinc/11/57/15/175115715.db2.gz CAKWMZQNLZRKDR-GFCCVEGCSA-N 1 2 294.420 1.950 40 0 CDABLO Cc1nsc(N2CCCN(c3cccc[nH+]3)CC2)n1 ZINC000078557910 177354455 /nfs/dbraw/zinc/35/44/55/177354455.db2.gz HVMRVIZLNCKHJX-UHFFFAOYSA-N 1 2 275.381 1.958 40 0 CDABLO Cc1nc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]32)cs1 ZINC000096056444 293268411 /nfs/dbraw/zinc/26/84/11/293268411.db2.gz ZMGPBTLHICZNDT-MNOVXSKESA-N 1 2 251.355 1.304 40 0 CDABLO Cc1nc(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]32)cs1 ZINC000096056444 293268412 /nfs/dbraw/zinc/26/84/12/293268412.db2.gz ZMGPBTLHICZNDT-MNOVXSKESA-N 1 2 251.355 1.304 40 0 CDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2scnc2C)[nH+]1 ZINC000257236592 301024818 /nfs/dbraw/zinc/02/48/18/301024818.db2.gz HCWWLTMRFZDNIU-JTQLQIEISA-N 1 2 292.364 1.697 40 0 CDABLO CC(C)(C)Cc1nnc(CC[NH+]2CCOCC2)[nH]1 ZINC000062719524 518698019 /nfs/dbraw/zinc/69/80/19/518698019.db2.gz NKZIOVYVIOUINY-UHFFFAOYSA-N 1 2 252.362 1.268 40 0 CDABLO C[C@H](Oc1ccc(F)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000006294978 525936948 /nfs/dbraw/zinc/93/69/48/525936948.db2.gz VRUOHANLJZITPE-LBPRGKRZSA-N 1 2 291.326 1.996 40 0 CDABLO Cc1ccc(-n2cc(C(=O)N3CC[NH+](C)CC3)nn2)cc1C ZINC000067263028 1171450789 /nfs/dbraw/zinc/45/07/89/1171450789.db2.gz QFPYYEGHYSAQNM-UHFFFAOYSA-N 1 2 299.378 1.272 40 0 CDABLO COCc1n[nH]c([C@H]([NH3+])c2ccc(Cl)cc2)n1 ZINC000095533986 185007529 /nfs/dbraw/zinc/00/75/29/185007529.db2.gz QBVMAQLSKXQFBL-SNVBAGLBSA-N 1 2 252.705 1.653 40 0 CDABLO CC(C)(C)OC(=O)[C@@H]([NH3+])[C@@H]1c2cc(F)ccc2NC1=O ZINC000095917969 185031000 /nfs/dbraw/zinc/03/10/00/185031000.db2.gz TXWOFGOVXMDJJU-QWRGUYRKSA-N 1 2 280.299 1.530 40 0 CDABLO CN(C)C(=O)[C@H]1Cn2nccc2C[N@H+](Cc2ccoc2)C1 ZINC000096067179 185084918 /nfs/dbraw/zinc/08/49/18/185084918.db2.gz HDHDRKLYXBWDEZ-CYBMUJFWSA-N 1 2 288.351 1.196 40 0 CDABLO CN(C)C(=O)[C@H]1Cn2nccc2C[N@@H+](Cc2ccoc2)C1 ZINC000096067179 185084920 /nfs/dbraw/zinc/08/49/20/185084920.db2.gz HDHDRKLYXBWDEZ-CYBMUJFWSA-N 1 2 288.351 1.196 40 0 CDABLO CCC[N@@H+]1CCc2oc(C(=O)N[C@H](C)COC)nc2C1 ZINC000585112191 342213429 /nfs/dbraw/zinc/21/34/29/342213429.db2.gz MPGSQBXPAICNGW-SNVBAGLBSA-N 1 2 281.356 1.207 40 0 CDABLO CCC[N@H+]1CCc2oc(C(=O)N[C@H](C)COC)nc2C1 ZINC000585112191 342213430 /nfs/dbraw/zinc/21/34/30/342213430.db2.gz MPGSQBXPAICNGW-SNVBAGLBSA-N 1 2 281.356 1.207 40 0 CDABLO CNC(=O)C[C@H]1C[N@H+](Cc2cccc(C)c2)Cc2ccnn21 ZINC000585112306 342213638 /nfs/dbraw/zinc/21/36/38/342213638.db2.gz OHMLDZGLEFOOOE-INIZCTEOSA-N 1 2 298.390 1.885 40 0 CDABLO CNC(=O)C[C@H]1C[N@@H+](Cc2cccc(C)c2)Cc2ccnn21 ZINC000585112306 342213639 /nfs/dbraw/zinc/21/36/39/342213639.db2.gz OHMLDZGLEFOOOE-INIZCTEOSA-N 1 2 298.390 1.885 40 0 CDABLO OC[C@]1(Cc2ccccc2)C[N@H+](Cc2ccncc2)CCO1 ZINC000585269440 342255512 /nfs/dbraw/zinc/25/55/12/342255512.db2.gz UPSUTNTWRAIJOQ-SFHVURJKSA-N 1 2 298.386 1.888 40 0 CDABLO OC[C@]1(Cc2ccccc2)C[N@@H+](Cc2ccncc2)CCO1 ZINC000585269440 342255513 /nfs/dbraw/zinc/25/55/13/342255513.db2.gz UPSUTNTWRAIJOQ-SFHVURJKSA-N 1 2 298.386 1.888 40 0 CDABLO CNc1nccnc1[C@H]1CN(c2cc[nH+]c(C)n2)CCO1 ZINC000257328929 362587017 /nfs/dbraw/zinc/58/70/17/362587017.db2.gz XHQUAXLTGGCBOC-LLVKDONJSA-N 1 2 286.339 1.195 40 0 CDABLO Cc1cc(NC(=O)N[C@H]2C[C@@H](C)n3ccnc32)cc[nH+]1 ZINC000333553817 363028378 /nfs/dbraw/zinc/02/83/78/363028378.db2.gz VADCMLNOKNONIB-PWSUYJOCSA-N 1 2 271.324 1.836 40 0 CDABLO C[C@H]1CCCN2C(=O)C[N@H+](C3CCCCC3)CC(=O)N12 ZINC000005707516 356059005 /nfs/dbraw/zinc/05/90/05/356059005.db2.gz DGDJIANJRRBKNA-LBPRGKRZSA-N 1 2 279.384 1.389 40 0 CDABLO C[C@H]1CCCN2C(=O)C[N@@H+](C3CCCCC3)CC(=O)N12 ZINC000005707516 356059011 /nfs/dbraw/zinc/05/90/11/356059011.db2.gz DGDJIANJRRBKNA-LBPRGKRZSA-N 1 2 279.384 1.389 40 0 CDABLO Cc1nc2c(c(=O)[nH]1)C[N@H+](Cc1cc(F)ccc1F)CC2 ZINC000012732941 356320586 /nfs/dbraw/zinc/32/05/86/356320586.db2.gz IJRGONCYRZXQDB-UHFFFAOYSA-N 1 2 291.301 1.915 40 0 CDABLO Cc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cc(F)ccc1F)CC2 ZINC000012732941 356320590 /nfs/dbraw/zinc/32/05/90/356320590.db2.gz IJRGONCYRZXQDB-UHFFFAOYSA-N 1 2 291.301 1.915 40 0 CDABLO Cc1nc(N2CCC[C@@H](c3[nH]nc4nccnc43)C2)cc[nH+]1 ZINC000072364319 357830590 /nfs/dbraw/zinc/83/05/90/357830590.db2.gz VGPVRMPIJDIRGN-LLVKDONJSA-N 1 2 295.350 1.835 40 0 CDABLO O=C(C1CC1)N1CC[NH+](C[C@H](O)c2cccs2)CC1 ZINC000056921523 358084900 /nfs/dbraw/zinc/08/49/00/358084900.db2.gz YBCVCOGJFJXRDV-LBPRGKRZSA-N 1 2 280.393 1.336 40 0 CDABLO COC(=O)[C@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ncc(C)o1 ZINC000195576366 358436644 /nfs/dbraw/zinc/43/66/44/358436644.db2.gz SBIPCEPXGFTWAW-NQBHXWOUSA-N 1 2 264.325 1.757 40 0 CDABLO COC(=O)[C@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ncc(C)o1 ZINC000195576366 358436646 /nfs/dbraw/zinc/43/66/46/358436646.db2.gz SBIPCEPXGFTWAW-NQBHXWOUSA-N 1 2 264.325 1.757 40 0 CDABLO c1c(CNc2cccc[nH+]2)nc2n1CCN([C@@H]1CCOC1)C2 ZINC000096197519 358715951 /nfs/dbraw/zinc/71/59/51/358715951.db2.gz REMSXVTWTONSJB-CQSZACIVSA-N 1 2 299.378 1.495 40 0 CDABLO CCn1cc(Cl)c(C(=O)NCCCn2cc[nH+]c2)n1 ZINC000028222827 359173117 /nfs/dbraw/zinc/17/31/17/359173117.db2.gz HTJDMTSOKRAISZ-UHFFFAOYSA-N 1 2 281.747 1.573 40 0 CDABLO COc1ccc(CCNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000225509730 374581855 /nfs/dbraw/zinc/58/18/55/374581855.db2.gz PUEOCQOZBPJIHZ-ZDUSSCGKSA-N 1 2 299.374 1.882 40 0 CDABLO COc1ccc(CCNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000225509730 374581860 /nfs/dbraw/zinc/58/18/60/374581860.db2.gz PUEOCQOZBPJIHZ-ZDUSSCGKSA-N 1 2 299.374 1.882 40 0 CDABLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CCCO1)C2 ZINC000225516843 374648876 /nfs/dbraw/zinc/64/88/76/374648876.db2.gz ZWSDWXVUDPAPAN-GHMZBOCLSA-N 1 2 263.341 1.118 40 0 CDABLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCCO1)CC2 ZINC000225516843 374648884 /nfs/dbraw/zinc/64/88/84/374648884.db2.gz ZWSDWXVUDPAPAN-GHMZBOCLSA-N 1 2 263.341 1.118 40 0 CDABLO Cn1c[nH+]cc1CCNC(=O)CCc1ccsc1 ZINC000225578383 375166804 /nfs/dbraw/zinc/16/68/04/375166804.db2.gz DBOANFKRSZMLML-UHFFFAOYSA-N 1 2 263.366 1.773 40 0 CDABLO O=C(NCCCn1cc[nH+]c1)c1ccc(Cn2cccn2)o1 ZINC000027981398 375167905 /nfs/dbraw/zinc/16/79/05/375167905.db2.gz MHLGPEPIFFEWAK-UHFFFAOYSA-N 1 2 299.334 1.541 40 0 CDABLO Cn1cccc1[C@H]1COCC[N@@H+]1CC[C@@H]1CCOC1=O ZINC000131685324 375316554 /nfs/dbraw/zinc/31/65/54/375316554.db2.gz VQLQDDJUDHGJRI-TZMCWYRMSA-N 1 2 278.352 1.352 40 0 CDABLO Cn1cccc1[C@H]1COCC[N@H+]1CC[C@@H]1CCOC1=O ZINC000131685324 375316562 /nfs/dbraw/zinc/31/65/62/375316562.db2.gz VQLQDDJUDHGJRI-TZMCWYRMSA-N 1 2 278.352 1.352 40 0 CDABLO Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)no1 ZINC000257238886 190018039 /nfs/dbraw/zinc/01/80/39/190018039.db2.gz HMYXAYJUZCFQGX-HUUCEWRRSA-N 1 2 274.320 1.607 40 0 CDABLO Cc1cc(C[N@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)no1 ZINC000257238886 190018040 /nfs/dbraw/zinc/01/80/40/190018040.db2.gz HMYXAYJUZCFQGX-HUUCEWRRSA-N 1 2 274.320 1.607 40 0 CDABLO c1c[nH]c(C[N@H+]2CCOC[C@@H](Cc3cccnc3)C2)n1 ZINC000257246237 190018959 /nfs/dbraw/zinc/01/89/59/190018959.db2.gz ITFQEXYNALCPEP-AWEZNQCLSA-N 1 2 272.352 1.496 40 0 CDABLO c1c[nH]c(C[N@@H+]2CCOC[C@@H](Cc3cccnc3)C2)n1 ZINC000257246237 190018960 /nfs/dbraw/zinc/01/89/60/190018960.db2.gz ITFQEXYNALCPEP-AWEZNQCLSA-N 1 2 272.352 1.496 40 0 CDABLO Cc1[nH+]c[nH]c1CN1CCO[C@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000257271685 190024298 /nfs/dbraw/zinc/02/42/98/190024298.db2.gz MZJAWLRHWQNNKG-ZDUSSCGKSA-N 1 2 289.339 1.096 40 0 CDABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cnco3)C2)[nH+]1 ZINC000257275624 190025011 /nfs/dbraw/zinc/02/50/11/190025011.db2.gz NQDVVPARRHLFOD-SNVBAGLBSA-N 1 2 260.297 1.726 40 0 CDABLO CCCS(=O)(=O)N1CCC[C@@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257311795 190032155 /nfs/dbraw/zinc/03/21/55/190032155.db2.gz ULAPFNFRRCZERX-LLVKDONJSA-N 1 2 271.386 1.637 40 0 CDABLO Cn1nccc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[NH2+]2 ZINC000257325035 190034284 /nfs/dbraw/zinc/03/42/84/190034284.db2.gz WREMUWOFFZXLJC-DNVSUFBTSA-N 1 2 274.368 1.165 40 0 CDABLO Cc1cnc(C[C@@H]2COCC[N@H+](Cc3ncc[nH]3)C2)cn1 ZINC000257340007 190037203 /nfs/dbraw/zinc/03/72/03/190037203.db2.gz ZECVTCZJCSCYFX-ZDUSSCGKSA-N 1 2 287.367 1.199 40 0 CDABLO Cc1cnc(C[C@@H]2COCC[N@@H+](Cc3ncc[nH]3)C2)cn1 ZINC000257340007 190037204 /nfs/dbraw/zinc/03/72/04/190037204.db2.gz ZECVTCZJCSCYFX-ZDUSSCGKSA-N 1 2 287.367 1.199 40 0 CDABLO Cc1cnc(C[C@@H]2COCCN(Cc3[nH]cc[nH+]3)C2)cn1 ZINC000257340007 190037205 /nfs/dbraw/zinc/03/72/05/190037205.db2.gz ZECVTCZJCSCYFX-ZDUSSCGKSA-N 1 2 287.367 1.199 40 0 CDABLO O=C(CSc1ccc(-n2cc[nH+]c2)nn1)N1CCCC1 ZINC000070631664 379422098 /nfs/dbraw/zinc/42/20/98/379422098.db2.gz COMZTTWAYGPAPW-UHFFFAOYSA-N 1 2 289.364 1.377 40 0 CDABLO CCCNC(=O)CN(C)Cc1cn2cccc(C)c2[nH+]1 ZINC000040465795 174274841 /nfs/dbraw/zinc/27/48/41/174274841.db2.gz LBDBXCKAZHMYRY-UHFFFAOYSA-N 1 2 274.368 1.601 40 0 CDABLO Cc1noc([C@]2(C)CCC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000072380998 176387193 /nfs/dbraw/zinc/38/71/93/176387193.db2.gz IDHDFUDWHGMISE-CYBMUJFWSA-N 1 2 261.329 1.655 40 0 CDABLO Cc1noc([C@]2(C)CCC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000072380998 176387194 /nfs/dbraw/zinc/38/71/94/176387194.db2.gz IDHDFUDWHGMISE-CYBMUJFWSA-N 1 2 261.329 1.655 40 0 CDABLO C[NH+](C)Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000008648959 289226826 /nfs/dbraw/zinc/22/68/26/289226826.db2.gz BTLRVVZPNOTLFJ-UHFFFAOYSA-N 1 2 263.366 1.925 40 0 CDABLO COc1cccc([C@H]([NH3+])c2nc([C@H]3CCCO3)n[nH]2)c1 ZINC000095533596 185007233 /nfs/dbraw/zinc/00/72/33/185007233.db2.gz NOBHMLUMYPDDEK-NEPJUHHUSA-N 1 2 274.324 1.713 40 0 CDABLO CCOC[C@H]1C[N@H+](Cc2cnn(C)c2)Cc2nn(C)cc21 ZINC000096060377 185080805 /nfs/dbraw/zinc/08/08/05/185080805.db2.gz HOVHAHQEJZXFFV-CYBMUJFWSA-N 1 2 289.383 1.290 40 0 CDABLO CCOC[C@H]1C[N@@H+](Cc2cnn(C)c2)Cc2nn(C)cc21 ZINC000096060377 185080807 /nfs/dbraw/zinc/08/08/07/185080807.db2.gz HOVHAHQEJZXFFV-CYBMUJFWSA-N 1 2 289.383 1.290 40 0 CDABLO COC[C@@H]1C[N@H+](Cc2ccc(C)s2)Cc2nnn(C)c21 ZINC000096060606 185081145 /nfs/dbraw/zinc/08/11/45/185081145.db2.gz IEDNZVRQEFZOCR-NSHDSACASA-N 1 2 292.408 1.931 40 0 CDABLO COC[C@@H]1C[N@@H+](Cc2ccc(C)s2)Cc2nnn(C)c21 ZINC000096060606 185081147 /nfs/dbraw/zinc/08/11/47/185081147.db2.gz IEDNZVRQEFZOCR-NSHDSACASA-N 1 2 292.408 1.931 40 0 CDABLO CCn1nnc2c1[C@@H](COC)C[N@H+](Cc1ccncc1)C2 ZINC000096060844 185082582 /nfs/dbraw/zinc/08/25/82/185082582.db2.gz PICSATTYNWRVAR-CYBMUJFWSA-N 1 2 287.367 1.439 40 0 CDABLO CCn1nnc2c1[C@@H](COC)C[N@@H+](Cc1ccncc1)C2 ZINC000096060844 185082584 /nfs/dbraw/zinc/08/25/84/185082584.db2.gz PICSATTYNWRVAR-CYBMUJFWSA-N 1 2 287.367 1.439 40 0 CDABLO O=C(c1ccncc1)N1C[C@@H]2C[N@H+](Cc3ccc[nH]3)[C@H]2C1 ZINC000096080555 185091109 /nfs/dbraw/zinc/09/11/09/185091109.db2.gz LLLKLBFCEXDSIR-ZFWWWQNUSA-N 1 2 282.347 1.366 40 0 CDABLO O=C(c1ccncc1)N1C[C@@H]2C[N@@H+](Cc3ccc[nH]3)[C@H]2C1 ZINC000096080555 185091110 /nfs/dbraw/zinc/09/11/10/185091110.db2.gz LLLKLBFCEXDSIR-ZFWWWQNUSA-N 1 2 282.347 1.366 40 0 CDABLO C[NH+](C)Cc1noc2c1CN(Cc1ccc[nH]1)CC2 ZINC000096084806 185092313 /nfs/dbraw/zinc/09/23/13/185092313.db2.gz LLOLVFVYHTUDRQ-UHFFFAOYSA-N 1 2 260.341 1.623 40 0 CDABLO CNC(=O)C[C@@H]1C[N@H+](Cc2cccs2)Cc2ccnn21 ZINC000585111887 342213374 /nfs/dbraw/zinc/21/33/74/342213374.db2.gz IJOLNJAMPWVPJE-GFCCVEGCSA-N 1 2 290.392 1.638 40 0 CDABLO CNC(=O)C[C@@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21 ZINC000585111887 342213375 /nfs/dbraw/zinc/21/33/75/342213375.db2.gz IJOLNJAMPWVPJE-GFCCVEGCSA-N 1 2 290.392 1.638 40 0 CDABLO Cc1nc(N2CCO[C@@H](c3cccc(N(C)C)n3)C2)cc[nH+]1 ZINC000257268520 282187529 /nfs/dbraw/zinc/18/75/29/282187529.db2.gz MMBWMYZYGQWXPK-CQSZACIVSA-N 1 2 299.378 1.824 40 0 CDABLO CC[C@@H](C(=O)[O-])[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000629505585 362116398 /nfs/dbraw/zinc/11/63/98/362116398.db2.gz LUHFCJOFCDVQKN-ZDUSSCGKSA-N 1 2 284.400 1.426 40 0 CDABLO CCOC1CN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000333611380 363057941 /nfs/dbraw/zinc/05/79/41/363057941.db2.gz ODRRZABNXBGZDS-LLVKDONJSA-N 1 2 278.356 1.191 40 0 CDABLO C[C@@H]1CCC[N@H+](Cc2nnnn2Cc2ccccc2)C1 ZINC000004230608 363206422 /nfs/dbraw/zinc/20/64/22/363206422.db2.gz QPKPMZVEGZXLGT-CYBMUJFWSA-N 1 2 271.368 1.953 40 0 CDABLO C[C@@H]1CCC[N@@H+](Cc2nnnn2Cc2ccccc2)C1 ZINC000004230608 363206429 /nfs/dbraw/zinc/20/64/29/363206429.db2.gz QPKPMZVEGZXLGT-CYBMUJFWSA-N 1 2 271.368 1.953 40 0 CDABLO Nc1nc[nH+]c(N)c1NC(=O)CCCCc1ccccc1 ZINC000001749545 355951018 /nfs/dbraw/zinc/95/10/18/355951018.db2.gz SUYYLDHFWSXTSR-UHFFFAOYSA-N 1 2 285.351 1.993 40 0 CDABLO Nc1cc(Nc2ccc(Cl)[nH]c2=S)nc(N)[nH+]1 ZINC000013281761 356341538 /nfs/dbraw/zinc/34/15/38/356341538.db2.gz AGXZTJYNSINJPZ-UHFFFAOYSA-N 1 2 268.733 1.722 40 0 CDABLO Cc1cc(N2CCC[C@H](c3nncn3C)C2)nc[nH+]1 ZINC000072385551 357831776 /nfs/dbraw/zinc/83/17/76/357831776.db2.gz RETVXLPJQNZZMW-NSHDSACASA-N 1 2 258.329 1.298 40 0 CDABLO Cc1nc(C2(C)CCN(c3cc[nH+]c(C)n3)CC2)cc(=O)[nH]1 ZINC000072385856 357831866 /nfs/dbraw/zinc/83/18/66/357831866.db2.gz RNLAVOTUKCUSMN-UHFFFAOYSA-N 1 2 299.378 1.735 40 0 CDABLO COC[C@H]1Cn2c[nH+]cc2CN(Cc2cc(C)on2)C1 ZINC000096209165 358720852 /nfs/dbraw/zinc/72/08/52/358720852.db2.gz IHJUDWAKHLVNBI-GFCCVEGCSA-N 1 2 276.340 1.458 40 0 CDABLO CCn1cncc1C[N@H+](CCO)Cc1cccs1 ZINC000013997547 358824047 /nfs/dbraw/zinc/82/40/47/358824047.db2.gz STJJCAGYLINXRA-UHFFFAOYSA-N 1 2 265.382 1.959 40 0 CDABLO CCn1cncc1C[N@@H+](CCO)Cc1cccs1 ZINC000013997547 358824050 /nfs/dbraw/zinc/82/40/50/358824050.db2.gz STJJCAGYLINXRA-UHFFFAOYSA-N 1 2 265.382 1.959 40 0 CDABLO Cc1noc(C2C[NH+](CC(=O)N3CCc4ccccc43)C2)n1 ZINC000049482558 374001232 /nfs/dbraw/zinc/00/12/32/374001232.db2.gz GURNAMUORPJHNQ-UHFFFAOYSA-N 1 2 298.346 1.367 40 0 CDABLO COC[C@@H]1C[N@H+](Cc2cnn(C(C)C)c2)C[C@H](C)O1 ZINC000225493724 374549243 /nfs/dbraw/zinc/54/92/43/374549243.db2.gz PMUKBZCKMOZVDL-JSGCOSHPSA-N 1 2 267.373 1.700 40 0 CDABLO COC[C@@H]1C[N@@H+](Cc2cnn(C(C)C)c2)C[C@H](C)O1 ZINC000225493724 374549247 /nfs/dbraw/zinc/54/92/47/374549247.db2.gz PMUKBZCKMOZVDL-JSGCOSHPSA-N 1 2 267.373 1.700 40 0 CDABLO CC[C@@H](C)CC(=O)N1CC[NH+]([C@@H](C)C(=O)NC(C)C)CC1 ZINC000225629852 375173863 /nfs/dbraw/zinc/17/38/63/375173863.db2.gz CCJDANGJZKDFFN-KGLIPLIRSA-N 1 2 297.443 1.480 40 0 CDABLO CS(=O)(=O)N[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000131372655 375246446 /nfs/dbraw/zinc/24/64/46/375246446.db2.gz SSOGPJVUAUYKKB-SNVBAGLBSA-N 1 2 294.380 1.081 40 0 CDABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3cnn(C)c3)C2)[nH+]1 ZINC000257213129 190013494 /nfs/dbraw/zinc/01/34/94/190013494.db2.gz CGGWSSKWYBRVLI-LLVKDONJSA-N 1 2 273.340 1.092 40 0 CDABLO Cc1nc(C[N@@H+]2CCOC[C@H](Cc3ncccn3)C2)co1 ZINC000257224989 190015555 /nfs/dbraw/zinc/01/55/55/190015555.db2.gz FEJLLLKHPVDWAO-CYBMUJFWSA-N 1 2 288.351 1.464 40 0 CDABLO Cc1nc(C[N@H+]2CCOC[C@H](Cc3ncccn3)C2)co1 ZINC000257224989 190015556 /nfs/dbraw/zinc/01/55/56/190015556.db2.gz FEJLLLKHPVDWAO-CYBMUJFWSA-N 1 2 288.351 1.464 40 0 CDABLO Cc1nccc(C[N@@H+]2CCC[C@H]2c2cnccn2)n1 ZINC000257292876 190027771 /nfs/dbraw/zinc/02/77/71/190027771.db2.gz QNHVVMTVMZNVSS-AWEZNQCLSA-N 1 2 255.325 1.912 40 0 CDABLO Cc1nccc(C[N@H+]2CCC[C@H]2c2cnccn2)n1 ZINC000257292876 190027772 /nfs/dbraw/zinc/02/77/72/190027772.db2.gz QNHVVMTVMZNVSS-AWEZNQCLSA-N 1 2 255.325 1.912 40 0 CDABLO Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3c[nH]cn3)C2)n1 ZINC000257324316 190034218 /nfs/dbraw/zinc/03/42/18/190034218.db2.gz WOCYJMQLABRDFY-GFCCVEGCSA-N 1 2 259.357 1.831 40 0 CDABLO Cc1cn(C)c([C@@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)n1 ZINC000257324316 190034219 /nfs/dbraw/zinc/03/42/19/190034219.db2.gz WOCYJMQLABRDFY-GFCCVEGCSA-N 1 2 259.357 1.831 40 0 CDABLO Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)n1 ZINC000257324316 190034220 /nfs/dbraw/zinc/03/42/20/190034220.db2.gz WOCYJMQLABRDFY-GFCCVEGCSA-N 1 2 259.357 1.831 40 0 CDABLO Cc1cn(C)c([C@@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)n1 ZINC000257324316 190034221 /nfs/dbraw/zinc/03/42/21/190034221.db2.gz WOCYJMQLABRDFY-GFCCVEGCSA-N 1 2 259.357 1.831 40 0 CDABLO C[N@@H+]1CCC[C@@]1(C(=O)N1CCCC1)c1cnccn1 ZINC000257328030 391650175 /nfs/dbraw/zinc/65/01/75/391650175.db2.gz XDVHZWGKMZBYKV-AWEZNQCLSA-N 1 2 260.341 1.020 40 0 CDABLO C[N@H+]1CCC[C@@]1(C(=O)N1CCCC1)c1cnccn1 ZINC000257328030 391650179 /nfs/dbraw/zinc/65/01/79/391650179.db2.gz XDVHZWGKMZBYKV-AWEZNQCLSA-N 1 2 260.341 1.020 40 0 CDABLO CO[C@H]1C[N@H+](Cc2ncccc2F)C[C@@]12CCCO2 ZINC000257296777 286073305 /nfs/dbraw/zinc/07/33/05/286073305.db2.gz REIXGTZTHYYAFH-KBPBESRZSA-N 1 2 266.316 1.601 40 0 CDABLO CO[C@H]1C[N@@H+](Cc2ncccc2F)C[C@@]12CCCO2 ZINC000257296777 286073307 /nfs/dbraw/zinc/07/33/07/286073307.db2.gz REIXGTZTHYYAFH-KBPBESRZSA-N 1 2 266.316 1.601 40 0 CDABLO COc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)nn1 ZINC000332353616 286274587 /nfs/dbraw/zinc/27/45/87/286274587.db2.gz SYRKREAIIICUQS-SNVBAGLBSA-N 1 2 287.323 1.228 40 0 CDABLO C[N@H+](Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000044868282 175268027 /nfs/dbraw/zinc/26/80/27/175268027.db2.gz YGYUTWQLOJYSES-LBPRGKRZSA-N 1 2 273.785 1.959 40 0 CDABLO C[N@@H+](Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000044868282 175268028 /nfs/dbraw/zinc/26/80/28/175268028.db2.gz YGYUTWQLOJYSES-LBPRGKRZSA-N 1 2 273.785 1.959 40 0 CDABLO CCN(CC)c1nc(C)cc(C(=O)N2CC[NH+](C)CC2)n1 ZINC000072240410 176348530 /nfs/dbraw/zinc/34/85/30/176348530.db2.gz SGKZJEPWRLKGNE-UHFFFAOYSA-N 1 2 291.399 1.019 40 0 CDABLO C[N@@H+]1CCC[C@H](c2ccnc(Nc3ncccn3)n2)C1 ZINC000072377380 176385867 /nfs/dbraw/zinc/38/58/67/176385867.db2.gz TUMAEFVOWAIALW-NSHDSACASA-N 1 2 270.340 1.819 40 0 CDABLO C[N@H+]1CCC[C@H](c2ccnc(Nc3ncccn3)n2)C1 ZINC000072377380 176385869 /nfs/dbraw/zinc/38/58/69/176385869.db2.gz TUMAEFVOWAIALW-NSHDSACASA-N 1 2 270.340 1.819 40 0 CDABLO CC(=O)N1CCC[C@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072378536 176386191 /nfs/dbraw/zinc/38/61/91/176386191.db2.gz CZJVIGQMGKWYLN-ZDUSSCGKSA-N 1 2 256.309 1.951 40 0 CDABLO CC(C)n1nccc1C[N@H+]1CCO[C@@](C)(C(=O)N(C)C)C1 ZINC000072379935 176387379 /nfs/dbraw/zinc/38/73/79/176387379.db2.gz VDZHQGGUQVHYKN-OAHLLOKOSA-N 1 2 294.399 1.143 40 0 CDABLO CC(C)n1nccc1C[N@@H+]1CCO[C@@](C)(C(=O)N(C)C)C1 ZINC000072379935 176387378 /nfs/dbraw/zinc/38/73/78/176387378.db2.gz VDZHQGGUQVHYKN-OAHLLOKOSA-N 1 2 294.399 1.143 40 0 CDABLO Cc1cc(NCCS(C)(=O)=O)[nH+]c2ccccc12 ZINC000078654793 177367290 /nfs/dbraw/zinc/36/72/90/177367290.db2.gz XFNTWZLUQMHDKW-UHFFFAOYSA-N 1 2 264.350 2.000 40 0 CDABLO O=c1occ(CO)c(O)c1C[N@@H+]1CCc2ccccc2C1 ZINC000000031879 424597445 /nfs/dbraw/zinc/59/74/45/424597445.db2.gz UTMGEECPRGQOIM-UHFFFAOYSA-N 1 2 287.315 1.396 40 0 CDABLO O=c1occ(CO)c(O)c1C[N@H+]1CCc2ccccc2C1 ZINC000000031879 424597450 /nfs/dbraw/zinc/59/74/50/424597450.db2.gz UTMGEECPRGQOIM-UHFFFAOYSA-N 1 2 287.315 1.396 40 0 CDABLO CC(C)(C)N1C[C@]2(C)c3ccccc3N[C@]2([NH3+])C1=O ZINC000055066038 278355918 /nfs/dbraw/zinc/35/59/18/278355918.db2.gz DPBFMDRVECOLFK-HUUCEWRRSA-N 1 2 259.353 1.666 40 0 CDABLO O=c1c2ccccc2nnn1C[NH2+]Cc1ccco1 ZINC000024522944 327933978 /nfs/dbraw/zinc/93/39/78/327933978.db2.gz GQFWTLBDZNUAHE-UHFFFAOYSA-N 1 2 256.265 1.132 40 0 CDABLO CO[C@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccc2c(c1)OCO2 ZINC000096041920 185070013 /nfs/dbraw/zinc/07/00/13/185070013.db2.gz IERVZBJLSRSSCK-DUVNUKRYSA-N 1 2 291.347 1.794 40 0 CDABLO CO[C@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccc2c(c1)OCO2 ZINC000096041920 185070015 /nfs/dbraw/zinc/07/00/15/185070015.db2.gz IERVZBJLSRSSCK-DUVNUKRYSA-N 1 2 291.347 1.794 40 0 CDABLO Cn1ccnc1C[N@@H+]1CC[C@@H]2[C@@H]1CC(=O)N2CC1CC1 ZINC000096081290 185091522 /nfs/dbraw/zinc/09/15/22/185091522.db2.gz NDEZZGGSZOCGCU-OLZOCXBDSA-N 1 2 274.368 1.005 40 0 CDABLO Cn1ccnc1C[N@H+]1CC[C@@H]2[C@@H]1CC(=O)N2CC1CC1 ZINC000096081290 185091524 /nfs/dbraw/zinc/09/15/24/185091524.db2.gz NDEZZGGSZOCGCU-OLZOCXBDSA-N 1 2 274.368 1.005 40 0 CDABLO Cn1cccc1C(=O)NCC[C@H]1C[N@H+](C)Cc2ccnn21 ZINC000248109523 362151282 /nfs/dbraw/zinc/15/12/82/362151282.db2.gz GTMZSGPUUVVDMD-LBPRGKRZSA-N 1 2 287.367 1.028 40 0 CDABLO Cn1cccc1C(=O)NCC[C@H]1C[N@@H+](C)Cc2ccnn21 ZINC000248109523 362151285 /nfs/dbraw/zinc/15/12/85/362151285.db2.gz GTMZSGPUUVVDMD-LBPRGKRZSA-N 1 2 287.367 1.028 40 0 CDABLO Cc1cc(Cl)ccc1C[N@@H+]1CCO[C@@H](CO)C1 ZINC000136194955 362322189 /nfs/dbraw/zinc/32/21/89/362322189.db2.gz IGZKPZUIDQKWQN-CYBMUJFWSA-N 1 2 255.745 1.842 40 0 CDABLO Cc1cc(Cl)ccc1C[N@H+]1CCO[C@@H](CO)C1 ZINC000136194955 362322194 /nfs/dbraw/zinc/32/21/94/362322194.db2.gz IGZKPZUIDQKWQN-CYBMUJFWSA-N 1 2 255.745 1.842 40 0 CDABLO Cc1nc(SCC(=O)NCc2[nH+]ccn2C)oc1C ZINC000019559462 356491676 /nfs/dbraw/zinc/49/16/76/356491676.db2.gz DUSWJQGXGJOYLY-UHFFFAOYSA-N 1 2 280.353 1.433 40 0 CDABLO C[N@H+](Cc1ccnc2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000057605178 357362532 /nfs/dbraw/zinc/36/25/32/357362532.db2.gz SJNRVEPWVYTCLK-ZDUSSCGKSA-N 1 2 290.388 1.854 40 0 CDABLO C[N@@H+](Cc1ccnc2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000057605178 357362537 /nfs/dbraw/zinc/36/25/37/357362537.db2.gz SJNRVEPWVYTCLK-ZDUSSCGKSA-N 1 2 290.388 1.854 40 0 CDABLO CO[C@@H]1CC[N@H+](Cc2nccs2)[C@H]2CCO[C@@H]21 ZINC000096214982 358721529 /nfs/dbraw/zinc/72/15/29/358721529.db2.gz KXWKCRWMZADKDO-UMNHJUIQSA-N 1 2 254.355 1.521 40 0 CDABLO CO[C@@H]1CC[N@@H+](Cc2nccs2)[C@H]2CCO[C@@H]21 ZINC000096214982 358721531 /nfs/dbraw/zinc/72/15/31/358721531.db2.gz KXWKCRWMZADKDO-UMNHJUIQSA-N 1 2 254.355 1.521 40 0 CDABLO CC(=O)NCc1noc2c1C[N@H+](Cc1cccs1)CC2 ZINC000096259752 358729566 /nfs/dbraw/zinc/72/95/66/358729566.db2.gz NHGRTBISAZAPGC-UHFFFAOYSA-N 1 2 291.376 1.931 40 0 CDABLO CC(=O)NCc1noc2c1C[N@@H+](Cc1cccs1)CC2 ZINC000096259752 358729568 /nfs/dbraw/zinc/72/95/68/358729568.db2.gz NHGRTBISAZAPGC-UHFFFAOYSA-N 1 2 291.376 1.931 40 0 CDABLO COC(=O)c1ccc2c(c1)[C@@]1(CCO2)COCC[NH2+]1 ZINC000306145566 374972219 /nfs/dbraw/zinc/97/22/19/374972219.db2.gz IQTAUOLEGUPNTN-CQSZACIVSA-N 1 2 263.293 1.071 40 0 CDABLO Cc1cc(C)cc(OC[C@@H]2C[N@H+](CCO)CCO2)c1 ZINC000217493151 375659432 /nfs/dbraw/zinc/65/94/32/375659432.db2.gz IFLOAJPPFWUCED-HNNXBMFYSA-N 1 2 265.353 1.375 40 0 CDABLO Cc1cc(C)cc(OC[C@@H]2C[N@@H+](CCO)CCO2)c1 ZINC000217493151 375659437 /nfs/dbraw/zinc/65/94/37/375659437.db2.gz IFLOAJPPFWUCED-HNNXBMFYSA-N 1 2 265.353 1.375 40 0 CDABLO O=C(CCCn1cc[nH+]c1)N1CCC[C@@H]1c1cnccn1 ZINC000257206054 190011423 /nfs/dbraw/zinc/01/14/23/190011423.db2.gz BBPWOZFIPRGXQC-CQSZACIVSA-N 1 2 285.351 1.817 40 0 CDABLO Cc1cnc(C(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000257255370 190020535 /nfs/dbraw/zinc/02/05/35/190020535.db2.gz KHEGNJYUDWCQGV-MRXNPFEDSA-N 1 2 296.374 1.914 40 0 CDABLO Cc1cnc(C(=O)N2CC[N@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000257255370 190020536 /nfs/dbraw/zinc/02/05/36/190020536.db2.gz KHEGNJYUDWCQGV-MRXNPFEDSA-N 1 2 296.374 1.914 40 0 CDABLO CNc1cc([C@@H]2CCCN2C(=O)c2ccnn2C)cc[nH+]1 ZINC000257236576 190017997 /nfs/dbraw/zinc/01/79/97/190017997.db2.gz HCUKIXRMNCWNGV-LBPRGKRZSA-N 1 2 285.351 1.834 40 0 CDABLO CNc1cccc([C@@H]2CN(Cc3c[nH+]c[nH]3)CCO2)n1 ZINC000257256079 190021748 /nfs/dbraw/zinc/02/17/48/190021748.db2.gz KKAHZAKDLOPXCI-ZDUSSCGKSA-N 1 2 273.340 1.420 40 0 CDABLO CNc1cccc([C@@H]2CN(Cc3c[nH]c[nH+]3)CCO2)n1 ZINC000257256079 190021749 /nfs/dbraw/zinc/02/17/49/190021749.db2.gz KKAHZAKDLOPXCI-ZDUSSCGKSA-N 1 2 273.340 1.420 40 0 CDABLO Cc1c[nH]c([C@H]2CCCN(C(=O)Cn3cccn3)C2)[nH+]1 ZINC000257314683 190032541 /nfs/dbraw/zinc/03/25/41/190032541.db2.gz UYAPYPQCDUMQHG-LBPRGKRZSA-N 1 2 273.340 1.321 40 0 CDABLO COCC[N@@H+]1CCOC[C@@H](Cc2ncccc2C)C1 ZINC000257323908 190034053 /nfs/dbraw/zinc/03/40/53/190034053.db2.gz WMIMWJBKHVMOKD-AWEZNQCLSA-N 1 2 264.369 1.527 40 0 CDABLO COCC[N@H+]1CCOC[C@@H](Cc2ncccc2C)C1 ZINC000257323908 190034054 /nfs/dbraw/zinc/03/40/54/190034054.db2.gz WMIMWJBKHVMOKD-AWEZNQCLSA-N 1 2 264.369 1.527 40 0 CDABLO CC(C)c1cc(C(=O)N(C)Cc2[nH]cc[nH+]2)nn1C ZINC000330969341 376384010 /nfs/dbraw/zinc/38/40/10/376384010.db2.gz CACWLIZEVUWMAZ-UHFFFAOYSA-N 1 2 261.329 1.539 40 0 CDABLO CC(C)[N@@H+]1CCO[C@H]2CN(Cc3ccoc3)C[C@H]21 ZINC000096054275 390912365 /nfs/dbraw/zinc/91/23/65/390912365.db2.gz LAXPCJKRWZXNDS-KGLIPLIRSA-N 1 2 250.342 1.573 40 0 CDABLO CC(C)[N@H+]1CCO[C@H]2CN(Cc3ccoc3)C[C@H]21 ZINC000096054275 390912366 /nfs/dbraw/zinc/91/23/66/390912366.db2.gz LAXPCJKRWZXNDS-KGLIPLIRSA-N 1 2 250.342 1.573 40 0 CDABLO Cc1cc(N2CC[C@H](c3ccnc(N(C)C)n3)C2)nc[nH+]1 ZINC000072364143 176379106 /nfs/dbraw/zinc/37/91/06/176379106.db2.gz XUPBSSMUVVDURR-LBPRGKRZSA-N 1 2 284.367 1.635 40 0 CDABLO CNc1cc(C[C@H]2CCN(c3cnccn3)C2)[nH+]cn1 ZINC000072381059 176387701 /nfs/dbraw/zinc/38/77/01/176387701.db2.gz RHBUAIGAFGCKBD-LLVKDONJSA-N 1 2 270.340 1.377 40 0 CDABLO CCOC(=O)[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccccc1 ZINC000199815717 570372600 /nfs/dbraw/zinc/37/26/00/570372600.db2.gz MXMJGAMEFKMLPX-UONOGXRCSA-N 1 2 263.337 1.575 40 0 CDABLO CCOC(=O)[C@H]1C[C@@H](O)CC[N@H+]1Cc1ccccc1 ZINC000199815717 570372602 /nfs/dbraw/zinc/37/26/02/570372602.db2.gz MXMJGAMEFKMLPX-UONOGXRCSA-N 1 2 263.337 1.575 40 0 CDABLO COc1ccc(N2C(=O)C[C@H](n3cc[nH+]c3)C2=O)cc1 ZINC000103228398 1166699931 /nfs/dbraw/zinc/69/99/31/1166699931.db2.gz BZGZAGLYIAVAQC-LBPRGKRZSA-N 1 2 271.276 1.396 40 0 CDABLO COc1cccc(C(=S)NCC[NH+]2CCOCC2)c1 ZINC000408573721 230406931 /nfs/dbraw/zinc/40/69/31/230406931.db2.gz KDFFRKPRMLIJFO-UHFFFAOYSA-N 1 2 280.393 1.293 40 0 CDABLO CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccccn1 ZINC000096057795 185078992 /nfs/dbraw/zinc/07/89/92/185078992.db2.gz RSWOZIBDWGPJIR-RRFJBIMHSA-N 1 2 262.353 1.850 40 0 CDABLO CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccccn1 ZINC000096057795 185078994 /nfs/dbraw/zinc/07/89/94/185078994.db2.gz RSWOZIBDWGPJIR-RRFJBIMHSA-N 1 2 262.353 1.850 40 0 CDABLO CCOC[C@H]1C[N@H+](Cc2cccnc2)Cc2ncn(C)c21 ZINC000096060219 185080120 /nfs/dbraw/zinc/08/01/20/185080120.db2.gz SQZGKGOQQCHCCX-CQSZACIVSA-N 1 2 286.379 1.951 40 0 CDABLO CCOC[C@H]1C[N@@H+](Cc2cccnc2)Cc2ncn(C)c21 ZINC000096060219 185080121 /nfs/dbraw/zinc/08/01/21/185080121.db2.gz SQZGKGOQQCHCCX-CQSZACIVSA-N 1 2 286.379 1.951 40 0 CDABLO OC[C@@H]1CCn2cncc2C[N@@H+]1Cc1cccnc1 ZINC000585097413 342211489 /nfs/dbraw/zinc/21/14/89/342211489.db2.gz LKPUOOZGLQOLMA-ZDUSSCGKSA-N 1 2 258.325 1.045 40 0 CDABLO OC[C@@H]1CCn2cncc2C[N@H+]1Cc1cccnc1 ZINC000585097413 342211490 /nfs/dbraw/zinc/21/14/90/342211490.db2.gz LKPUOOZGLQOLMA-ZDUSSCGKSA-N 1 2 258.325 1.045 40 0 CDABLO C[C@H]1C[C@H]1C(=O)N1CCc2[nH+]cc(-c3cccnc3)n2CC1 ZINC000585111395 342213418 /nfs/dbraw/zinc/21/34/18/342213418.db2.gz SAJLLSDKUCQYLT-GXTWGEPZSA-N 1 2 296.374 1.986 40 0 CDABLO CNC(=O)C[C@H]1C[N@H+](Cc2cccs2)Cc2ccnn21 ZINC000585111888 342213450 /nfs/dbraw/zinc/21/34/50/342213450.db2.gz IJOLNJAMPWVPJE-LBPRGKRZSA-N 1 2 290.392 1.638 40 0 CDABLO CNC(=O)C[C@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21 ZINC000585111888 342213451 /nfs/dbraw/zinc/21/34/51/342213451.db2.gz IJOLNJAMPWVPJE-LBPRGKRZSA-N 1 2 290.392 1.638 40 0 CDABLO CC(=O)N1CC[C@@H](Cc2nccnc2-c2c[nH+]c(C)n2C)C1 ZINC000585261135 342249064 /nfs/dbraw/zinc/24/90/64/342249064.db2.gz ITJZZCKKFPTFDW-ZDUSSCGKSA-N 1 2 299.378 1.596 40 0 CDABLO c1cc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3Cn2cnnc2)co1 ZINC000247924974 362139592 /nfs/dbraw/zinc/13/95/92/362139592.db2.gz AKJOKRVXLNGHNC-RRFJBIMHSA-N 1 2 288.351 1.551 40 0 CDABLO c1cc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3Cn2cnnc2)co1 ZINC000247924974 362139595 /nfs/dbraw/zinc/13/95/95/362139595.db2.gz AKJOKRVXLNGHNC-RRFJBIMHSA-N 1 2 288.351 1.551 40 0 CDABLO COc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)nn1 ZINC000332353615 362481314 /nfs/dbraw/zinc/48/13/14/362481314.db2.gz SYRKREAIIICUQS-JTQLQIEISA-N 1 2 287.323 1.228 40 0 CDABLO Cc1nc(N2CCOC[C@@H]2CCc2cnccn2)cc[nH+]1 ZINC000257223115 362578241 /nfs/dbraw/zinc/57/82/41/362578241.db2.gz DVXYIIKYFYTGBL-AWEZNQCLSA-N 1 2 285.351 1.413 40 0 CDABLO COc1cccc(OC)c1C(=O)N1CC[NH+](C)CC1 ZINC000003194925 355996559 /nfs/dbraw/zinc/99/65/59/355996559.db2.gz DDYPMRNCVXIPSU-UHFFFAOYSA-N 1 2 264.325 1.091 40 0 CDABLO COCC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)c(F)c1 ZINC000012114997 356288017 /nfs/dbraw/zinc/28/80/17/356288017.db2.gz FNNQTPXTRUYXGO-ZDUSSCGKSA-N 1 2 295.289 1.550 40 0 CDABLO CC[NH+]1CCN(C(=O)Cn2ccc(=O)c3ccccc32)CC1 ZINC000225720836 359610574 /nfs/dbraw/zinc/61/05/74/359610574.db2.gz YGOUGQWIEBXTLC-UHFFFAOYSA-N 1 2 299.374 1.166 40 0 CDABLO COCCC(=O)N1CC[NH+](Cc2cnn(C(C)C)c2)CC1 ZINC000225602875 375172548 /nfs/dbraw/zinc/17/25/48/375172548.db2.gz AWQCZVOGUGWAEN-UHFFFAOYSA-N 1 2 294.399 1.145 40 0 CDABLO Cc1cc[nH+]cc1N1CCN(C(=O)c2ccncc2)CC1 ZINC000225599024 375207391 /nfs/dbraw/zinc/20/73/91/375207391.db2.gz NKVNEHSRYQDPJL-UHFFFAOYSA-N 1 2 282.347 1.747 40 0 CDABLO CC(C)CNC(=O)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000057503923 375515792 /nfs/dbraw/zinc/51/57/92/375515792.db2.gz CVMMFTKFPJBEIN-UHFFFAOYSA-N 1 2 295.408 1.588 40 0 CDABLO CC(C)CNC(=O)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC000057503923 375515795 /nfs/dbraw/zinc/51/57/95/375515795.db2.gz CVMMFTKFPJBEIN-UHFFFAOYSA-N 1 2 295.408 1.588 40 0 CDABLO Cc1nn(C)c(F)c1C[NH2+]Cc1ccnn1C(F)F ZINC000256054230 190005061 /nfs/dbraw/zinc/00/50/61/190005061.db2.gz VMXDVUOXYFRLIP-UHFFFAOYSA-N 1 2 273.262 1.749 40 0 CDABLO CO[C@@H](C)CN(C)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000257214031 190013472 /nfs/dbraw/zinc/01/34/72/190013472.db2.gz CKFMJORSLLNBJO-NSHDSACASA-N 1 2 274.324 1.374 40 0 CDABLO O=C(CCn1cc[nH+]c1)N1CCC[C@H]1c1cnccn1 ZINC000257234564 190017181 /nfs/dbraw/zinc/01/71/81/190017181.db2.gz GUDHWRFPBPQBBW-ZDUSSCGKSA-N 1 2 271.324 1.427 40 0 CDABLO CO[C@H]1CC[N@H+](Cc2ccncc2)C[C@@]12CCCO2 ZINC000257322854 190034290 /nfs/dbraw/zinc/03/42/90/190034290.db2.gz WHSCBOVHLXNFPI-GJZGRUSLSA-N 1 2 262.353 1.852 40 0 CDABLO CO[C@H]1CC[N@@H+](Cc2ccncc2)C[C@@]12CCCO2 ZINC000257322854 190034291 /nfs/dbraw/zinc/03/42/91/190034291.db2.gz WHSCBOVHLXNFPI-GJZGRUSLSA-N 1 2 262.353 1.852 40 0 CDABLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+](C)Cc1ccoc1 ZINC000330937573 376352502 /nfs/dbraw/zinc/35/25/02/376352502.db2.gz APAFSALGQFRBOF-LLVKDONJSA-N 1 2 293.367 1.874 40 0 CDABLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+](C)Cc1ccoc1 ZINC000330937573 376352512 /nfs/dbraw/zinc/35/25/12/376352512.db2.gz APAFSALGQFRBOF-LLVKDONJSA-N 1 2 293.367 1.874 40 0 CDABLO c1cnc(N2CCCN(c3cccc[nH+]3)CC2)nc1 ZINC000072351144 296614353 /nfs/dbraw/zinc/61/43/53/296614353.db2.gz LBRVYWXGWUZYEE-UHFFFAOYSA-N 1 2 255.325 1.588 40 0 CDABLO Cc1cc(C(=O)NC(C)C)nc([C@H]2CCC[N@@H+]2C)n1 ZINC000072387047 176392814 /nfs/dbraw/zinc/39/28/14/176392814.db2.gz BYWVPASGHZAOSY-GFCCVEGCSA-N 1 2 262.357 1.690 40 0 CDABLO Cc1cc(C(=O)NC(C)C)nc([C@H]2CCC[N@H+]2C)n1 ZINC000072387047 176392816 /nfs/dbraw/zinc/39/28/16/176392816.db2.gz BYWVPASGHZAOSY-GFCCVEGCSA-N 1 2 262.357 1.690 40 0 CDABLO CCc1cnc(N2CC[C@@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)nc1 ZINC000107226633 276696878 /nfs/dbraw/zinc/69/68/78/276696878.db2.gz ROELZNJEZWFXGX-GDBMZVCRSA-N 1 2 299.378 1.846 40 0 CDABLO NC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)NC1CCCCCC1 ZINC000044871259 303294866 /nfs/dbraw/zinc/29/48/66/303294866.db2.gz HVUXBDWULJLQGH-ZDUSSCGKSA-N 1 2 281.400 1.165 40 0 CDABLO NC(=O)[C@@H]1CCCC[N@H+]1CC(=O)NC1CCCCCC1 ZINC000044871259 303294867 /nfs/dbraw/zinc/29/48/67/303294867.db2.gz HVUXBDWULJLQGH-ZDUSSCGKSA-N 1 2 281.400 1.165 40 0 CDABLO Cn1cccc1[C@@H]1COCC[N@@H+]1CCOCC1CC1 ZINC000131907677 323211003 /nfs/dbraw/zinc/21/10/03/323211003.db2.gz HBMRRKTYZDTKSI-HNNXBMFYSA-N 1 2 264.369 1.825 40 0 CDABLO Cn1cccc1[C@@H]1COCC[N@H+]1CCOCC1CC1 ZINC000131907677 323211005 /nfs/dbraw/zinc/21/10/05/323211005.db2.gz HBMRRKTYZDTKSI-HNNXBMFYSA-N 1 2 264.369 1.825 40 0 CDABLO Cn1ncc(Cl)c1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000852881923 755624778 /nfs/dbraw/zinc/62/47/78/755624778.db2.gz SVTGVBCJSKJXNE-ZETCQYMHSA-N 1 2 292.717 1.048 40 0 CDABLO COc1cccc([C@@H]([NH3+])c2nnc(-c3ccncc3)[nH]2)c1 ZINC000095533503 185005954 /nfs/dbraw/zinc/00/59/54/185005954.db2.gz ZLYXGNCIGNAFBW-CYBMUJFWSA-N 1 2 281.319 1.923 40 0 CDABLO COc1cccc([C@@H]([NH3+])c2n[nH]c(-c3ccncc3)n2)c1 ZINC000095533503 185005956 /nfs/dbraw/zinc/00/59/56/185005956.db2.gz ZLYXGNCIGNAFBW-CYBMUJFWSA-N 1 2 281.319 1.923 40 0 CDABLO COC[C@@H]1C[N@H+](Cc2ccoc2)Cc2cnn(C)c21 ZINC000096060005 185080303 /nfs/dbraw/zinc/08/03/03/185080303.db2.gz HOGGPJXSGMIRHM-ZDUSSCGKSA-N 1 2 261.325 1.759 40 0 CDABLO COC[C@@H]1C[N@@H+](Cc2ccoc2)Cc2cnn(C)c21 ZINC000096060005 185080305 /nfs/dbraw/zinc/08/03/05/185080305.db2.gz HOGGPJXSGMIRHM-ZDUSSCGKSA-N 1 2 261.325 1.759 40 0 CDABLO CN(C)C(=O)N1Cc2[nH+]cn(C)c2[C@H](COCC2CC2)C1 ZINC000096060258 185081463 /nfs/dbraw/zinc/08/14/63/185081463.db2.gz RKRHHBWTINTVFZ-LBPRGKRZSA-N 1 2 292.383 1.428 40 0 CDABLO CO[C@H]1CCN(C(=O)c2nc3c(o2)CC[N@@H+](C(C)C)C3)C1 ZINC000585112123 342213407 /nfs/dbraw/zinc/21/34/07/342213407.db2.gz LZZPZLJTZIAOBG-NSHDSACASA-N 1 2 293.367 1.302 40 0 CDABLO CO[C@H]1CCN(C(=O)c2nc3c(o2)CC[N@H+](C(C)C)C3)C1 ZINC000585112123 342213408 /nfs/dbraw/zinc/21/34/08/342213408.db2.gz LZZPZLJTZIAOBG-NSHDSACASA-N 1 2 293.367 1.302 40 0 CDABLO Cc1cccc(OC[C@@]2(O)CC[N@H+](Cc3ncc[nH]3)C2)c1 ZINC000585275105 342255986 /nfs/dbraw/zinc/25/59/86/342255986.db2.gz WRJHHJGCQAXFQU-MRXNPFEDSA-N 1 2 287.363 1.734 40 0 CDABLO Cc1cccc(OC[C@@]2(O)CC[N@@H+](Cc3ncc[nH]3)C2)c1 ZINC000585275105 342255987 /nfs/dbraw/zinc/25/59/87/342255987.db2.gz WRJHHJGCQAXFQU-MRXNPFEDSA-N 1 2 287.363 1.734 40 0 CDABLO CCCCCC[C@H](C[NH+]1CCOCC1)N1CCOCC1 ZINC000019204056 356476522 /nfs/dbraw/zinc/47/65/22/356476522.db2.gz RJCKYSSDDBLBMG-MRXNPFEDSA-N 1 2 284.444 1.990 40 0 CDABLO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2N1C(=O)Cn1cc[nH+]c1 ZINC000019287473 356479392 /nfs/dbraw/zinc/47/93/92/356479392.db2.gz OYBZPAYDWKEGFM-SMDDNHRTSA-N 1 2 283.335 1.270 40 0 CDABLO Cc1nc(N2CCC[C@@H](C(=O)N3CCCC3)C2)cc[nH+]1 ZINC000072356779 357829991 /nfs/dbraw/zinc/82/99/91/357829991.db2.gz JVZZRUFQQQUPKJ-CYBMUJFWSA-N 1 2 274.368 1.624 40 0 CDABLO c1cn(-c2cncc([C@H]3CCCN3c3ncccn3)n2)c[nH+]1 ZINC000072378786 357830732 /nfs/dbraw/zinc/83/07/32/357830732.db2.gz VAGULKBTLJCZOG-CYBMUJFWSA-N 1 2 293.334 1.794 40 0 CDABLO CCCS(=O)(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000166174500 364893988 /nfs/dbraw/zinc/89/39/88/364893988.db2.gz VSRFXGNDCWGCNY-LBPRGKRZSA-N 1 2 283.397 1.380 40 0 CDABLO COc1ccccc1C[C@@H](C)[N@H+](C)CCS(C)(=O)=O ZINC000075897013 366917103 /nfs/dbraw/zinc/91/71/03/366917103.db2.gz BIRSSAFTISTJTR-GFCCVEGCSA-N 1 2 285.409 1.603 40 0 CDABLO COc1ccccc1C[C@@H](C)[N@@H+](C)CCS(C)(=O)=O ZINC000075897013 366917106 /nfs/dbraw/zinc/91/71/06/366917106.db2.gz BIRSSAFTISTJTR-GFCCVEGCSA-N 1 2 285.409 1.603 40 0 CDABLO O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000225512268 374628486 /nfs/dbraw/zinc/62/84/86/374628486.db2.gz RVXFNSFYLBGRJH-XFBWCDHKSA-N 1 2 297.358 1.289 40 0 CDABLO O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000225512268 374628493 /nfs/dbraw/zinc/62/84/93/374628493.db2.gz RVXFNSFYLBGRJH-XFBWCDHKSA-N 1 2 297.358 1.289 40 0 CDABLO O=c1[nH]cccc1-c1noc(C[N@H+]2CCC[C@@H](CO)C2)n1 ZINC000257227737 190015542 /nfs/dbraw/zinc/01/55/42/190015542.db2.gz FQQWWXBXKMLJEW-SNVBAGLBSA-N 1 2 290.323 1.042 40 0 CDABLO O=c1[nH]cccc1-c1noc(C[N@@H+]2CCC[C@@H](CO)C2)n1 ZINC000257227737 190015543 /nfs/dbraw/zinc/01/55/43/190015543.db2.gz FQQWWXBXKMLJEW-SNVBAGLBSA-N 1 2 290.323 1.042 40 0 CDABLO CN(C)c1ncc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)cn1 ZINC000257269376 190023787 /nfs/dbraw/zinc/02/37/87/190023787.db2.gz MPRYNXVSJKYGCU-CQSZACIVSA-N 1 2 286.383 1.993 40 0 CDABLO CN(C)c1ncc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)cn1 ZINC000257269376 190023788 /nfs/dbraw/zinc/02/37/88/190023788.db2.gz MPRYNXVSJKYGCU-CQSZACIVSA-N 1 2 286.383 1.993 40 0 CDABLO CCCS(=O)(=O)N1CCC[C@@H]1c1[nH]cc(C)[nH+]1 ZINC000257263795 190022576 /nfs/dbraw/zinc/02/25/76/190022576.db2.gz LRMUNFJOHBBPDH-SNVBAGLBSA-N 1 2 257.359 1.595 40 0 CDABLO Cc1cc(C)n(CC(=O)N2CC[C@@H](c3[nH]cc(C)[nH+]3)C2)n1 ZINC000257289625 190027555 /nfs/dbraw/zinc/02/75/55/190027555.db2.gz PZMMXUBQXQDPOW-CYBMUJFWSA-N 1 2 287.367 1.548 40 0 CDABLO C[C@@]12C[C@H]3C[NH2+][C@@H]1CCCC[C@@H]2N3C(=O)Cn1cccn1 ZINC000257325471 190034068 /nfs/dbraw/zinc/03/40/68/190034068.db2.gz WTAWXBSPTLJKCE-KNCOVGOOSA-N 1 2 288.395 1.405 40 0 CDABLO Cc1cncc([C@@H]2CCC[N@H+]2Cc2cnc(N(C)C)nc2)n1 ZINC000257324670 190034413 /nfs/dbraw/zinc/03/44/13/190034413.db2.gz WPQQWURSOZOSDS-HNNXBMFYSA-N 1 2 298.394 1.978 40 0 CDABLO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2cnc(N(C)C)nc2)n1 ZINC000257324670 190034414 /nfs/dbraw/zinc/03/44/14/190034414.db2.gz WPQQWURSOZOSDS-HNNXBMFYSA-N 1 2 298.394 1.978 40 0 CDABLO COCc1cc(CC2([NH2+]Cc3ccco3)COC2)no1 ZINC000067897970 377286069 /nfs/dbraw/zinc/28/60/69/377286069.db2.gz VCPHICAVSRHPEW-UHFFFAOYSA-N 1 2 278.308 1.515 40 0 biogenic,in-vitro CDABLO COc1ccc(CNc2[nH+]cnc3c2NC(=O)CN3)cc1 ZINC000041121677 379334520 /nfs/dbraw/zinc/33/45/20/379334520.db2.gz VXCKNCPQVFQLDF-UHFFFAOYSA-N 1 2 285.307 1.461 40 0 CDABLO COc1ccc(CNc2nc[nH+]c3c2NC(=O)CN3)cc1 ZINC000041121677 379334533 /nfs/dbraw/zinc/33/45/33/379334533.db2.gz VXCKNCPQVFQLDF-UHFFFAOYSA-N 1 2 285.307 1.461 40 0 CDABLO CCc1nnc(NC(=O)Cc2cn3ccccc3[nH+]2)s1 ZINC000041304178 379364309 /nfs/dbraw/zinc/36/43/09/379364309.db2.gz FMWGFQDDYCMZBT-UHFFFAOYSA-N 1 2 287.348 1.929 40 0 CDABLO CCOc1cc([C@@H]([NH3+])c2nc(COC)n[nH]2)ccc1OC ZINC000095534417 390611346 /nfs/dbraw/zinc/61/13/46/390611346.db2.gz KOODHBAPUCCTGE-CYBMUJFWSA-N 1 2 292.339 1.407 40 0 CDABLO Brc1ccc2c(c1)[C@]1(CO2)COCC[NH2+]1 ZINC000306145317 392106242 /nfs/dbraw/zinc/10/62/42/392106242.db2.gz BKCADMVARKZUFT-LLVKDONJSA-N 1 2 270.126 1.657 40 0 CDABLO CCOC(=O)C1=C(O)[C@@H](COC)[N@H+](Cc2ccccc2)C1 ZINC000005029738 170058290 /nfs/dbraw/zinc/05/82/90/170058290.db2.gz VNVILDSOTIRVJV-UONOGXRCSA-N 1 2 291.347 1.266 40 0 CDABLO CCOC(=O)C1=C(O)[C@@H](COC)[N@@H+](Cc2ccccc2)C1 ZINC000005029738 170058291 /nfs/dbraw/zinc/05/82/91/170058291.db2.gz VNVILDSOTIRVJV-UONOGXRCSA-N 1 2 291.347 1.266 40 0 CDABLO CNC(=O)c1cccc([C@H]2CCCN2c2cc(C)[nH+]cn2)n1 ZINC000072355856 176375632 /nfs/dbraw/zinc/37/56/32/176375632.db2.gz DBHSUSYITTYSJA-CQSZACIVSA-N 1 2 297.362 1.881 40 0 CDABLO CC[C@H](OC1CCCC1)C(=O)NCc1[nH+]ccn1C ZINC000079047114 177420872 /nfs/dbraw/zinc/42/08/72/177420872.db2.gz GJXHVNOENKJBCY-LBPRGKRZSA-N 1 2 265.357 1.774 40 0 CDABLO NC(=O)[C@H]1CCCC[N@@H+]1CC(=O)NC1CCCCCC1 ZINC000044871255 303326721 /nfs/dbraw/zinc/32/67/21/303326721.db2.gz HVUXBDWULJLQGH-CYBMUJFWSA-N 1 2 281.400 1.165 40 0 CDABLO NC(=O)[C@H]1CCCC[N@H+]1CC(=O)NC1CCCCCC1 ZINC000044871255 303326723 /nfs/dbraw/zinc/32/67/23/303326723.db2.gz HVUXBDWULJLQGH-CYBMUJFWSA-N 1 2 281.400 1.165 40 0 CDABLO COCc1nnc2n1CC[N@@H+](Cc1cc(C)on1)[C@@H](C)C2 ZINC000585098727 342212034 /nfs/dbraw/zinc/21/20/34/342212034.db2.gz YBNMNMWBUUTXFD-JTQLQIEISA-N 1 2 291.355 1.168 40 0 CDABLO COCc1nnc2n1CC[N@H+](Cc1cc(C)on1)[C@@H](C)C2 ZINC000585098727 342212035 /nfs/dbraw/zinc/21/20/35/342212035.db2.gz YBNMNMWBUUTXFD-JTQLQIEISA-N 1 2 291.355 1.168 40 0 CDABLO C[C@@H](CNC(=O)c1ccncc1F)Cn1cc[nH+]c1 ZINC000081797639 362213988 /nfs/dbraw/zinc/21/39/88/362213988.db2.gz IYCZRHKNOHSNNL-JTQLQIEISA-N 1 2 262.288 1.483 40 0 CDABLO Cc1nc(N2CCO[C@@H](CCc3ccncn3)C2)cc[nH+]1 ZINC000257234046 362579423 /nfs/dbraw/zinc/57/94/23/362579423.db2.gz GRWHNMFOQUPDEH-AWEZNQCLSA-N 1 2 285.351 1.413 40 0 CDABLO C[N@H+](Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000041392684 345286214 /nfs/dbraw/zinc/28/62/14/345286214.db2.gz SBVKFASNFJFBNB-GFCCVEGCSA-N 1 2 257.330 1.445 40 0 CDABLO C[N@@H+](Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000041392684 345286216 /nfs/dbraw/zinc/28/62/16/345286216.db2.gz SBVKFASNFJFBNB-GFCCVEGCSA-N 1 2 257.330 1.445 40 0 CDABLO C[C@H](C(=O)N(C)[C@@H](C)Cc1ccccn1)n1cc[nH+]c1 ZINC000019456909 356485363 /nfs/dbraw/zinc/48/53/63/356485363.db2.gz GAOZHBIRPMGNLE-QWHCGFSZSA-N 1 2 272.352 1.929 40 0 CDABLO Cc1nc2c(c(=O)[nH]1)C[N@H+](Cc1c(F)cccc1F)CC2 ZINC000019576538 356492567 /nfs/dbraw/zinc/49/25/67/356492567.db2.gz HSGIMDREURKLQN-UHFFFAOYSA-N 1 2 291.301 1.915 40 0 CDABLO Cc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1c(F)cccc1F)CC2 ZINC000019576538 356492568 /nfs/dbraw/zinc/49/25/68/356492568.db2.gz HSGIMDREURKLQN-UHFFFAOYSA-N 1 2 291.301 1.915 40 0 CDABLO COCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1nccs1 ZINC000096186224 358714266 /nfs/dbraw/zinc/71/42/66/358714266.db2.gz QJUAPNVJKNVFAV-VXGBXAGGSA-N 1 2 295.408 1.355 40 0 CDABLO COCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1nccs1 ZINC000096186224 358714267 /nfs/dbraw/zinc/71/42/67/358714267.db2.gz QJUAPNVJKNVFAV-VXGBXAGGSA-N 1 2 295.408 1.355 40 0 CDABLO COCCC(=O)N1CCN(CC2CC2)c2[nH+]cccc2C1 ZINC000096198936 358717432 /nfs/dbraw/zinc/71/74/32/358717432.db2.gz IFBPGMYOGRJJAU-UHFFFAOYSA-N 1 2 289.379 1.677 40 0 CDABLO COC[C@H]1Cn2c[nH+]cc2CN(C(=O)c2cc(C)no2)C1 ZINC000096207180 358719967 /nfs/dbraw/zinc/71/99/67/358719967.db2.gz LAIJNEJGWNYEEN-LLVKDONJSA-N 1 2 290.323 1.098 40 0 CDABLO c1cn2c(n1)C[N@@H+]([C@H]1CCOC1)C[C@@H](COCC1CC1)C2 ZINC000107208864 359016425 /nfs/dbraw/zinc/01/64/25/359016425.db2.gz BOHNUBLZQFYJKU-GJZGRUSLSA-N 1 2 291.395 1.530 40 0 CDABLO c1cn2c(n1)C[N@H+]([C@H]1CCOC1)C[C@@H](COCC1CC1)C2 ZINC000107208864 359016428 /nfs/dbraw/zinc/01/64/28/359016428.db2.gz BOHNUBLZQFYJKU-GJZGRUSLSA-N 1 2 291.395 1.530 40 0 CDABLO CN(C)c1nc(N(C)C)c(NC(=O)c2ccccc2)c[nH+]1 ZINC000224347971 359226040 /nfs/dbraw/zinc/22/60/40/359226040.db2.gz QOIYJTVEPPCHFS-UHFFFAOYSA-N 1 2 285.351 1.861 40 0 CDABLO CCCS(=O)(=O)N1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000169804494 365048860 /nfs/dbraw/zinc/04/88/60/365048860.db2.gz VYVLAHUKEMIREF-CQSZACIVSA-N 1 2 282.409 1.715 40 0 CDABLO CCCS(=O)(=O)N1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000169804494 365048864 /nfs/dbraw/zinc/04/88/64/365048864.db2.gz VYVLAHUKEMIREF-CQSZACIVSA-N 1 2 282.409 1.715 40 0 CDABLO CN(C)c1nc(Nc2ccccc2)nc(N(C)C)[nH+]1 ZINC000000810534 373140980 /nfs/dbraw/zinc/14/09/80/373140980.db2.gz DREJSFACDNYYQZ-UHFFFAOYSA-N 1 2 258.329 1.747 40 0 CDABLO Cc1cc(NC(=O)[C@H]2CCCN2C(=O)C(C)C)cc[nH+]1 ZINC000079001762 374754976 /nfs/dbraw/zinc/75/49/76/374754976.db2.gz IXFRLGRLWUNINX-CYBMUJFWSA-N 1 2 275.352 1.976 40 0 CDABLO COC(=O)[C@@]1(C)CCC[N@@H+]1[C@@H]1CCCN(C(C)C)C1=O ZINC000225726983 375192394 /nfs/dbraw/zinc/19/23/94/375192394.db2.gz JNEIBSZWVXAUSS-IUODEOHRSA-N 1 2 282.384 1.413 40 0 CDABLO COC(=O)[C@@]1(C)CCC[N@H+]1[C@@H]1CCCN(C(C)C)C1=O ZINC000225726983 375192401 /nfs/dbraw/zinc/19/24/01/375192401.db2.gz JNEIBSZWVXAUSS-IUODEOHRSA-N 1 2 282.384 1.413 40 0 CDABLO CC(=O)N1CCC[C@H](c2nccnc2-c2c[nH+]c(C)n2C)C1 ZINC000257250799 190020068 /nfs/dbraw/zinc/02/00/68/190020068.db2.gz JOAUPJQROOPRCL-ZDUSSCGKSA-N 1 2 299.378 1.911 40 0 CDABLO CN(C)c1cc([C@@H]2CCCN2C(=O)Cn2cccn2)cc[nH+]1 ZINC000257269129 190023618 /nfs/dbraw/zinc/02/36/18/190023618.db2.gz MORWWKUXYBKTID-AWEZNQCLSA-N 1 2 299.378 1.708 40 0 CDABLO CCOCC(=O)N1CCC[C@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257309317 190031209 /nfs/dbraw/zinc/03/12/09/190031209.db2.gz UAKYVHFUTYQUMQ-NSHDSACASA-N 1 2 251.330 1.461 40 0 CDABLO [NH3+]C1(C(=O)N2CCC[C@H]2c2ccncn2)CCCC1 ZINC000257326185 190034226 /nfs/dbraw/zinc/03/42/26/190034226.db2.gz WWEGKPYESPEQDP-LBPRGKRZSA-N 1 2 260.341 1.412 40 0 CDABLO Cc1cc(=O)[nH]c(C2CCN(c3cc(C)[nH+]cn3)CC2)n1 ZINC000072364100 390628127 /nfs/dbraw/zinc/62/81/27/390628127.db2.gz HCSGULKQVDZGLB-UHFFFAOYSA-N 1 2 285.351 1.561 40 0 CDABLO COc1ccc2c(c1)CC[N@H+]1[C@H]3CCC(=O)N3CC[C@@H]21 ZINC000029589877 286396356 /nfs/dbraw/zinc/39/63/56/286396356.db2.gz IVDIDHIMBGGTNA-LSDHHAIUSA-N 1 2 272.348 1.947 40 0 CDABLO COc1ccc2c(c1)CC[N@@H+]1[C@H]3CCC(=O)N3CC[C@@H]21 ZINC000029589877 286396358 /nfs/dbraw/zinc/39/63/58/286396358.db2.gz IVDIDHIMBGGTNA-LSDHHAIUSA-N 1 2 272.348 1.947 40 0 CDABLO CC(C)N(C(=O)[C@@H](C)[NH+]1CCN(C)CC1)C(C)C ZINC000022585818 171393247 /nfs/dbraw/zinc/39/32/47/171393247.db2.gz OSMSMJMDMSZFOZ-CYBMUJFWSA-N 1 2 255.406 1.268 40 0 CDABLO CCCNC(=O)C[N@H+](C)Cc1nc2ccccc2o1 ZINC000040465797 174274728 /nfs/dbraw/zinc/27/47/28/174274728.db2.gz ZKHYQGPIHLXOTQ-UHFFFAOYSA-N 1 2 261.325 1.786 40 0 CDABLO CCCNC(=O)C[N@@H+](C)Cc1nc2ccccc2o1 ZINC000040465797 174274729 /nfs/dbraw/zinc/27/47/29/174274729.db2.gz ZKHYQGPIHLXOTQ-UHFFFAOYSA-N 1 2 261.325 1.786 40 0 CDABLO Cc1cc(CNc2cc([C@H]3COCC[NH2+]3)nc(C)n2)on1 ZINC000072366235 176381338 /nfs/dbraw/zinc/38/13/38/176381338.db2.gz OKTSWXPWQWVULM-CYBMUJFWSA-N 1 2 289.339 1.354 40 0 CDABLO CNc1cncc([C@@H]2CCCN2Cc2[nH+]ccn2C)n1 ZINC000072385837 176390602 /nfs/dbraw/zinc/39/06/02/176390602.db2.gz QVIHDMNPGAUFQL-LBPRGKRZSA-N 1 2 272.356 1.589 40 0 CDABLO CO[C@@H]1CSC2(CN(c3cc(N(C)C)[nH+]cn3)C2)C1 ZINC000248076072 277303948 /nfs/dbraw/zinc/30/39/48/277303948.db2.gz BVLNYFKWXDPMMO-JTQLQIEISA-N 1 2 280.397 1.253 40 0 CDABLO CO[C@@H]1CSC2(CN(c3cc(N(C)C)nc[nH+]3)C2)C1 ZINC000248076072 277303949 /nfs/dbraw/zinc/30/39/49/277303949.db2.gz BVLNYFKWXDPMMO-JTQLQIEISA-N 1 2 280.397 1.253 40 0 CDABLO Cc1occc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C(C)C ZINC000096054282 294049701 /nfs/dbraw/zinc/04/97/01/294049701.db2.gz AEPCEVPANCLGKZ-KGLIPLIRSA-N 1 2 278.352 1.522 40 0 CDABLO Cc1occc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C(C)C ZINC000096054282 294049705 /nfs/dbraw/zinc/04/97/05/294049705.db2.gz AEPCEVPANCLGKZ-KGLIPLIRSA-N 1 2 278.352 1.522 40 0 CDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2cnc(C)cn2)[nH+]1 ZINC000257224104 301025242 /nfs/dbraw/zinc/02/52/42/301025242.db2.gz FAIIJAWHUHHASY-GFCCVEGCSA-N 1 2 287.323 1.030 40 0 CDABLO [NH3+][C@@H](Cc1ccccc1)c1nnc([C@H]2CCCO2)[nH]1 ZINC000095534906 185007985 /nfs/dbraw/zinc/00/79/85/185007985.db2.gz CSEGQTQTHWYHON-NWDGAFQWSA-N 1 2 258.325 1.899 40 0 CDABLO CC(C)(C)OC(=O)N1CC[NH2+][C@@H](c2ccccn2)C1 ZINC000095752331 185025537 /nfs/dbraw/zinc/02/55/37/185025537.db2.gz BPWOXCWPHVVITM-GFCCVEGCSA-N 1 2 263.341 1.963 40 0 CDABLO Cn1ccc(C[N@@H+]2CC[C@]23CCN(c2ncccn2)C3)n1 ZINC000096076102 185090307 /nfs/dbraw/zinc/09/03/07/185090307.db2.gz OMDHZJWHNJTYNX-HNNXBMFYSA-N 1 2 284.367 1.065 40 0 CDABLO Cn1ccc(C[N@H+]2CC[C@]23CCN(c2ncccn2)C3)n1 ZINC000096076102 185090309 /nfs/dbraw/zinc/09/03/09/185090309.db2.gz OMDHZJWHNJTYNX-HNNXBMFYSA-N 1 2 284.367 1.065 40 0 CDABLO Cn1c[nH+]c2c1C[C@@H](COc1ncccc1F)N(C)C2 ZINC000585094867 342211458 /nfs/dbraw/zinc/21/14/58/342211458.db2.gz QWPAVVHIZQFYLX-JTQLQIEISA-N 1 2 276.315 1.390 40 0 CDABLO CC(=O)N1Cc2[nH+]cn(C)c2C[C@H]1COCC1CC1 ZINC000585094558 342211224 /nfs/dbraw/zinc/21/12/24/342211224.db2.gz BAWCOUCYUOIEIC-LBPRGKRZSA-N 1 2 263.341 1.120 40 0 CDABLO COC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)c1ccco1 ZINC000585094995 342211324 /nfs/dbraw/zinc/21/13/24/342211324.db2.gz YPXPBXJOQFQEOI-JTQLQIEISA-N 1 2 275.308 1.227 40 0 CDABLO CNC(=O)C[C@H]1C[N@H+](Cc2ccc(C)cc2)Cc2ccnn21 ZINC000585112656 342213535 /nfs/dbraw/zinc/21/35/35/342213535.db2.gz SQGPUQUXMWZYRK-INIZCTEOSA-N 1 2 298.390 1.885 40 0 CDABLO CNC(=O)C[C@H]1C[N@@H+](Cc2ccc(C)cc2)Cc2ccnn21 ZINC000585112656 342213536 /nfs/dbraw/zinc/21/35/36/342213536.db2.gz SQGPUQUXMWZYRK-INIZCTEOSA-N 1 2 298.390 1.885 40 0 CDABLO C[C@H](CNC(=O)c1ccnc(N(C)C)c1)Cn1cc[nH+]c1 ZINC000081798435 362214367 /nfs/dbraw/zinc/21/43/67/362214367.db2.gz BHTXBIVUBQQGPY-GFCCVEGCSA-N 1 2 287.367 1.410 40 0 CDABLO CC(C)(C)C(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC000062021959 362971027 /nfs/dbraw/zinc/97/10/27/362971027.db2.gz QDCLWELSTIAIBC-UHFFFAOYSA-N 1 2 264.373 1.073 40 0 CDABLO CCOC1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000333611382 363058162 /nfs/dbraw/zinc/05/81/62/363058162.db2.gz ODRRZABNXBGZDS-NSHDSACASA-N 1 2 278.356 1.191 40 0 CDABLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccoc1 ZINC000152880381 188049988 /nfs/dbraw/zinc/04/99/88/188049988.db2.gz RXESGNVQVWWKNP-GFCCVEGCSA-N 1 2 257.293 1.683 40 0 CDABLO Cc1cc2ccccc2n1CC(=O)NCc1[nH+]ccn1C ZINC000019126793 356475529 /nfs/dbraw/zinc/47/55/29/356475529.db2.gz ZJSXCNVXIZJUBN-UHFFFAOYSA-N 1 2 282.347 2.000 40 0 CDABLO C[C@H]1Cc2cc(C(=O)CC[NH+]3CCOCC3)ccc2O1 ZINC000019204603 356476987 /nfs/dbraw/zinc/47/69/87/356476987.db2.gz HWBUWRPNAWRUBO-LBPRGKRZSA-N 1 2 275.348 1.915 40 0 CDABLO COc1ccc(C(=O)[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000031938720 356772633 /nfs/dbraw/zinc/77/26/33/356772633.db2.gz FSVZPKWRXWZRQY-LBPRGKRZSA-N 1 2 263.337 1.846 40 0 CDABLO Cc1cc(C[N@@H+](C)Cc2ccc3c(c2)n(C)c(=O)n3C)[nH]n1 ZINC000036752838 356880459 /nfs/dbraw/zinc/88/04/59/356880459.db2.gz MSQOANRKWHTSPT-UHFFFAOYSA-N 1 2 299.378 1.541 40 0 CDABLO Cc1cc(C[N@H+](C)Cc2ccc3c(c2)n(C)c(=O)n3C)[nH]n1 ZINC000036752838 356880463 /nfs/dbraw/zinc/88/04/63/356880463.db2.gz MSQOANRKWHTSPT-UHFFFAOYSA-N 1 2 299.378 1.541 40 0 CDABLO CCOc1ccc2ncn(C[NH+]3CCOCC3)c2c1 ZINC000073634244 356937514 /nfs/dbraw/zinc/93/75/14/356937514.db2.gz OUOGBKRTDXOKRY-UHFFFAOYSA-N 1 2 261.325 1.725 40 0 CDABLO Cc1nc([C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)no1 ZINC000072364327 357831070 /nfs/dbraw/zinc/83/10/70/357831070.db2.gz HHLYXUOGJUSIOF-LLVKDONJSA-N 1 2 259.313 1.860 40 0 CDABLO CCOC(=O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095091739 358678102 /nfs/dbraw/zinc/67/81/02/358678102.db2.gz RNPSLRCZCCMKEJ-JTQLQIEISA-N 1 2 272.345 1.149 40 0 CDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2cccc(C)n2)[nH+]1 ZINC000257254792 291619096 /nfs/dbraw/zinc/61/90/96/291619096.db2.gz KESHFIIPNHJPPF-CYBMUJFWSA-N 1 2 286.335 1.635 40 0 CDABLO CCn1ncc(C[NH2+]Cc2ccn(C(F)F)n2)c1F ZINC000256052310 190004212 /nfs/dbraw/zinc/00/42/12/190004212.db2.gz MUXWMOXDJVITMP-UHFFFAOYSA-N 1 2 273.262 1.924 40 0 CDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)Cc2cccs2)[nH+]1 ZINC000257232432 190017163 /nfs/dbraw/zinc/01/71/63/190017163.db2.gz GKUWSHYOGWEINN-LBPRGKRZSA-N 1 2 291.376 1.922 40 0 CDABLO CCn1cc(C(=O)N2CCC[C@H](c3[nH]cc(C)[nH+]3)C2)cn1 ZINC000257250287 190019840 /nfs/dbraw/zinc/01/98/40/190019840.db2.gz JLXOLIYBMSHWGF-LBPRGKRZSA-N 1 2 287.367 1.954 40 0 CDABLO CNc1cc([C@H]2CCCN2C(=O)Cn2cccn2)cc[nH+]1 ZINC000257264275 190023372 /nfs/dbraw/zinc/02/33/72/190023372.db2.gz LTRTZNCWIGSUPV-CYBMUJFWSA-N 1 2 285.351 1.684 40 0 CDABLO CCCS(=O)(=O)N1CCC[C@@H](c2[nH+]c(C)cn2C)C1 ZINC000257259430 190021430 /nfs/dbraw/zinc/02/14/30/190021430.db2.gz KYHUMVHKZXBDEM-GFCCVEGCSA-N 1 2 285.413 1.648 40 0 CDABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3nc(C)c[nH]3)C2)cn1 ZINC000257267483 190022831 /nfs/dbraw/zinc/02/28/31/190022831.db2.gz MHMXZJPUKOUZLM-CYBMUJFWSA-N 1 2 275.356 1.508 40 0 CDABLO CCn1cc(C[N@H+]2CCO[C@@H](c3nc(C)c[nH]3)C2)cn1 ZINC000257267483 190022832 /nfs/dbraw/zinc/02/28/32/190022832.db2.gz MHMXZJPUKOUZLM-CYBMUJFWSA-N 1 2 275.356 1.508 40 0 CDABLO Cc1c[nH]nc1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000257273051 190024552 /nfs/dbraw/zinc/02/45/52/190024552.db2.gz NFAPGRSRCUKHJQ-GFCCVEGCSA-N 1 2 273.340 1.321 40 0 CDABLO Cc1cn[nH]c1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000257273051 190024553 /nfs/dbraw/zinc/02/45/53/190024553.db2.gz NFAPGRSRCUKHJQ-GFCCVEGCSA-N 1 2 273.340 1.321 40 0 CDABLO CCn1cc(C(=O)N2CC[C@H](c3[nH]cc(C)[nH+]3)C2)c(C)n1 ZINC000257296020 190028806 /nfs/dbraw/zinc/02/88/06/190028806.db2.gz RAWCQAMVYGXHFJ-LBPRGKRZSA-N 1 2 287.367 1.873 40 0 CDABLO CNc1cc([C@H]2CCCN(C(=O)c3cnccn3)C2)cc[nH+]1 ZINC000257319147 190033491 /nfs/dbraw/zinc/03/34/91/190033491.db2.gz VQYMYQBFKODRKT-ZDUSSCGKSA-N 1 2 297.362 1.933 40 0 CDABLO O=C(C[NH+]1CCCC1)N1CCC[C@@H](c2ccncn2)C1 ZINC000257324691 190033992 /nfs/dbraw/zinc/03/39/92/190033992.db2.gz WPSNGZJRTAYKND-CYBMUJFWSA-N 1 2 274.368 1.278 40 0 CDABLO C[NH+](C)CC(=O)N1C[C@@H]2CC[C@H](Oc3ccccc3)[C@@H]2C1 ZINC000257323163 190034451 /nfs/dbraw/zinc/03/44/51/190034451.db2.gz WIZCTCBXJIHLHU-IMJJTQAJSA-N 1 2 288.391 1.864 40 0 CDABLO Cc1nc(N2CC[NH+](C)CC2)nc2c1C(=O)C[C@H](C)C2 ZINC000020671315 390233222 /nfs/dbraw/zinc/23/32/22/390233222.db2.gz VVXDMQXOWAVELS-SNVBAGLBSA-N 1 2 274.368 1.302 40 0 CDABLO O[C@@H](c1ccccc1)c1ccc(N2CCOCC2)[nH+]c1 ZINC000072225491 390623247 /nfs/dbraw/zinc/62/32/47/390623247.db2.gz CEVMFQKLAMRGNO-INIZCTEOSA-N 1 2 270.332 2.000 40 0 CDABLO COc1ccc(OC[C@@H](O)CNc2cccc[nH+]2)cc1 ZINC000026781631 171499448 /nfs/dbraw/zinc/49/94/48/171499448.db2.gz IVYACSFVLDBARY-LBPRGKRZSA-N 1 2 274.320 1.942 40 0 CDABLO CC(C)[N@@H+]1CCO[C@@H](c2ccnc(N(C)C)n2)C1 ZINC000072359885 176377044 /nfs/dbraw/zinc/37/70/44/176377044.db2.gz LBUGSMMTDXOKRE-GFCCVEGCSA-N 1 2 250.346 1.324 40 0 CDABLO CC(C)[N@H+]1CCO[C@@H](c2ccnc(N(C)C)n2)C1 ZINC000072359885 176377045 /nfs/dbraw/zinc/37/70/45/176377045.db2.gz LBUGSMMTDXOKRE-GFCCVEGCSA-N 1 2 250.346 1.324 40 0 CDABLO CC(=O)N1CCC(Cc2cncc(-n3cc[nH+]c3)n2)CC1 ZINC000072360661 176377067 /nfs/dbraw/zinc/37/70/67/176377067.db2.gz ORLQYTNCLNKUIS-UHFFFAOYSA-N 1 2 285.351 1.463 40 0 CDABLO Cn1c2ccccc2[nH+]c1N1CCC[C@@H](C(N)=O)C1 ZINC000072389594 176394001 /nfs/dbraw/zinc/39/40/01/176394001.db2.gz LVDJUIFZKZSJBE-SNVBAGLBSA-N 1 2 258.325 1.275 40 0 CDABLO COC[C@H]1Cn2cc[nH+]c2CN(C(=O)c2ccoc2)C1 ZINC000096059084 277607679 /nfs/dbraw/zinc/60/76/79/277607679.db2.gz HZCZGZCRYMSSKC-NSHDSACASA-N 1 2 275.308 1.395 40 0 CDABLO CC(C)(C)N1C[C@]2(C)c3ccccc3N[C@@]2([NH3+])C1=O ZINC000055066030 278355891 /nfs/dbraw/zinc/35/58/91/278355891.db2.gz DPBFMDRVECOLFK-CABCVRRESA-N 1 2 259.353 1.666 40 0 CDABLO O=C1N(c2ccccc2)C[C@H]2CN(Cc3[nH]cc[nH+]3)CCN12 ZINC000085436166 280276591 /nfs/dbraw/zinc/27/65/91/280276591.db2.gz SLNSAFVAKKQLIM-CQSZACIVSA-N 1 2 297.362 1.536 40 0 biogenic,in-vitro CDABLO [NH3+][C@H](c1nc([C@@H]2CCCO2)n[nH]1)c1ccc(F)cc1 ZINC000095533328 185006334 /nfs/dbraw/zinc/00/63/34/185006334.db2.gz APYLDUCPNTXDOW-QWRGUYRKSA-N 1 2 262.288 1.843 40 0 CDABLO Cc1nc(N2CCO[C@H](c3cccc(N(C)C)n3)C2)cc[nH+]1 ZINC000257268519 282187732 /nfs/dbraw/zinc/18/77/32/282187732.db2.gz MMBWMYZYGQWXPK-AWEZNQCLSA-N 1 2 299.378 1.824 40 0 CDABLO Cn1nccc1C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130900075 136388466 /nfs/dbraw/zinc/38/84/66/136388466.db2.gz WITBDDVLMRWIDO-LBPRGKRZSA-N 1 2 285.351 1.214 40 0 CDABLO Cc1cc(NC(=O)N[C@@H]2C[C@H](C)n3ccnc32)cc[nH+]1 ZINC000333553813 363026479 /nfs/dbraw/zinc/02/64/79/363026479.db2.gz VADCMLNOKNONIB-CMPLNLGQSA-N 1 2 271.324 1.836 40 0 CDABLO S=C(N[NH+]=C1NCCCCN1)Nc1ccc(Cl)cc1 ZINC000001643178 355944544 /nfs/dbraw/zinc/94/45/44/355944544.db2.gz JSQAEDUGRUZHSL-UHFFFAOYSA-N 1 2 297.815 1.870 40 0 CDABLO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@@H+]1Cc1cnn(C)c1 ZINC000019287518 356479821 /nfs/dbraw/zinc/47/98/21/356479821.db2.gz RJAPMEGHKWTMQQ-DOMZBBRYSA-N 1 2 269.352 1.780 40 0 CDABLO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@H+]1Cc1cnn(C)c1 ZINC000019287518 356479824 /nfs/dbraw/zinc/47/98/24/356479824.db2.gz RJAPMEGHKWTMQQ-DOMZBBRYSA-N 1 2 269.352 1.780 40 0 CDABLO C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CC[NH+](C)CC1 ZINC000050079908 357228107 /nfs/dbraw/zinc/22/81/07/357228107.db2.gz FUAZIGOLYVLWJJ-LLVKDONJSA-N 1 2 282.771 1.881 40 0 CDABLO CCCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000052815034 357277956 /nfs/dbraw/zinc/27/79/56/357277956.db2.gz CZJUNWMYWBVBEP-UHFFFAOYSA-N 1 2 291.395 1.728 40 0 CDABLO O=C(Nc1ccccc1)N1CCCN2CCC[NH+]=C21 ZINC000016489434 295952987 /nfs/dbraw/zinc/95/29/87/295952987.db2.gz PRAABKQVXPLGLF-UHFFFAOYSA-N 1 2 258.325 1.986 40 0 CDABLO CN(Cc1ccccn1)C(=O)c1[nH]nc2c1C[N@H+](C)CC2 ZINC000096187430 358715455 /nfs/dbraw/zinc/71/54/55/358715455.db2.gz ASXZUYMOWHDKQD-UHFFFAOYSA-N 1 2 285.351 1.065 40 0 CDABLO CN(Cc1ccccn1)C(=O)c1[nH]nc2c1C[N@@H+](C)CC2 ZINC000096187430 358715457 /nfs/dbraw/zinc/71/54/57/358715457.db2.gz ASXZUYMOWHDKQD-UHFFFAOYSA-N 1 2 285.351 1.065 40 0 CDABLO c1coc(CN2CCn3c(Cn4cncn4)c[nH+]c3C2)c1 ZINC000096201129 358718350 /nfs/dbraw/zinc/71/83/50/358718350.db2.gz XJZWLGNXDVGHBJ-UHFFFAOYSA-N 1 2 284.323 1.132 40 0 CDABLO O=C(c1ccco1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2CC1CC1 ZINC000096246458 358725398 /nfs/dbraw/zinc/72/53/98/358725398.db2.gz IRTJKHADKZMEHH-OCCSQVGLSA-N 1 2 276.336 1.215 40 0 CDABLO O=C(c1ccco1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2CC1CC1 ZINC000096246458 358725400 /nfs/dbraw/zinc/72/54/00/358725400.db2.gz IRTJKHADKZMEHH-OCCSQVGLSA-N 1 2 276.336 1.215 40 0 CDABLO Cc1nn(C)cc1C[NH2+]Cc1ccn(CCF)n1 ZINC000256052855 190004471 /nfs/dbraw/zinc/00/44/71/190004471.db2.gz OYACBAPLKUKUTK-UHFFFAOYSA-N 1 2 251.309 1.184 40 0 CDABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2cn(C)nc2C)[nH+]1 ZINC000257264960 190023383 /nfs/dbraw/zinc/02/33/83/190023383.db2.gz LWSJCDCQYDWPLI-GFCCVEGCSA-N 1 2 273.340 1.737 40 0 CDABLO Cc1cc(C(=O)NCC(C)C)nc([C@H]2CCC[N@@H+]2C)n1 ZINC000257311112 190031773 /nfs/dbraw/zinc/03/17/73/190031773.db2.gz UHZPGPHVXWDKQW-CYBMUJFWSA-N 1 2 276.384 1.938 40 0 CDABLO Cc1cc(C(=O)NCC(C)C)nc([C@H]2CCC[N@H+]2C)n1 ZINC000257311112 190031774 /nfs/dbraw/zinc/03/17/74/190031774.db2.gz UHZPGPHVXWDKQW-CYBMUJFWSA-N 1 2 276.384 1.938 40 0 CDABLO CC(=O)N1CCN(Cc2[nH+]ccn2C)C[C@H]1c1ccccc1 ZINC000257292813 190028082 /nfs/dbraw/zinc/02/80/82/190028082.db2.gz QNBBSSSZSPFONB-INIZCTEOSA-N 1 2 298.390 1.826 40 0 CDABLO Cc1[nH+]c[nH]c1CN1CCO[C@@H](c2nc(C)cc(C)n2)C1 ZINC000257314939 190032600 /nfs/dbraw/zinc/03/26/00/190032600.db2.gz UZFGQFLNMXQUSX-CQSZACIVSA-N 1 2 287.367 1.698 40 0 CDABLO Cc1cc([C@@H]2CN(Cc3c[nH+]c[nH]3)CCO2)nc(C)n1 ZINC000257335635 190036283 /nfs/dbraw/zinc/03/62/83/190036283.db2.gz YLDCNHJAFVUILT-AWEZNQCLSA-N 1 2 273.340 1.390 40 0 CDABLO Cc1cc([C@@H]2CN(Cc3c[nH]c[nH+]3)CCO2)nc(C)n1 ZINC000257335635 190036284 /nfs/dbraw/zinc/03/62/84/190036284.db2.gz YLDCNHJAFVUILT-AWEZNQCLSA-N 1 2 273.340 1.390 40 0 CDABLO O=C(NCCNc1ccc2ccccc2[nH+]1)c1csnn1 ZINC000073941445 378975192 /nfs/dbraw/zinc/97/51/92/378975192.db2.gz FEBBYNFOGLUGNS-UHFFFAOYSA-N 1 2 299.359 1.928 40 0 CDABLO CC[C@H](O)c1c[nH+]c(N2CCN(C(C)=O)CC2)c(C)c1 ZINC000072222691 256706177 /nfs/dbraw/zinc/70/61/77/256706177.db2.gz TUPWXWAKSSUYDY-AWEZNQCLSA-N 1 2 277.368 1.502 40 0 CDABLO Cc1cc([C@H]2CCCCN2C=O)c[nH+]c1N1CCOCC1 ZINC000072219373 390622973 /nfs/dbraw/zinc/62/29/73/390622973.db2.gz CJIGKFFPKMGSFX-OAHLLOKOSA-N 1 2 289.379 1.910 40 0 CDABLO CC[C@@H]1CCCC[N@@H+]1Cc1nn(C)cc1C(=O)OC ZINC000575441455 391383995 /nfs/dbraw/zinc/38/39/95/391383995.db2.gz OBRWCFQSUBJAOF-LLVKDONJSA-N 1 2 265.357 1.971 40 0 CDABLO CC[C@@H]1CCCC[N@H+]1Cc1nn(C)cc1C(=O)OC ZINC000575441455 391383999 /nfs/dbraw/zinc/38/39/99/391383999.db2.gz OBRWCFQSUBJAOF-LLVKDONJSA-N 1 2 265.357 1.971 40 0 CDABLO C[N@H+]1Cc2c(Br)c3c(cc2[C@H](O)C1)OCO3 ZINC000261828414 391710552 /nfs/dbraw/zinc/71/05/52/391710552.db2.gz NSNDGJJSTOSEGG-MRVPVSSYSA-N 1 2 286.125 1.657 40 0 CDABLO C[N@@H+]1Cc2c(Br)c3c(cc2[C@H](O)C1)OCO3 ZINC000261828414 391710553 /nfs/dbraw/zinc/71/05/53/391710553.db2.gz NSNDGJJSTOSEGG-MRVPVSSYSA-N 1 2 286.125 1.657 40 0 CDABLO COC[C@H]1Cn2cc[nH+]c2CN(Cc2nccs2)C1 ZINC000096059068 285469437 /nfs/dbraw/zinc/46/94/37/285469437.db2.gz QMLTWEONRMJZRA-LLVKDONJSA-N 1 2 278.381 1.618 40 0 CDABLO C[C@@H](c1ccccc1)[N@H+](C)[C@H]1CS(=O)(=O)[C@@H]1C ZINC000045027712 175293467 /nfs/dbraw/zinc/29/34/67/175293467.db2.gz CZIHGSQIHZLMGD-LOWVWBTDSA-N 1 2 253.367 1.865 40 0 CDABLO C[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CS(=O)(=O)[C@@H]1C ZINC000045027712 175293468 /nfs/dbraw/zinc/29/34/68/175293468.db2.gz CZIHGSQIHZLMGD-LOWVWBTDSA-N 1 2 253.367 1.865 40 0 CDABLO CNc1cccc([C@H]2CCCN(C(=O)COC)C2)[nH+]1 ZINC000072356622 176375471 /nfs/dbraw/zinc/37/54/71/176375471.db2.gz KOMUNJIQXLWBBU-NSHDSACASA-N 1 2 263.341 1.476 40 0 CDABLO Cc1cn(C)c([C@H]2CCCN2C(=O)c2cnc(C)cn2)[nH+]1 ZINC000257309643 302317661 /nfs/dbraw/zinc/31/76/61/302317661.db2.gz UBUAIWSFVHMIRX-CYBMUJFWSA-N 1 2 285.351 1.804 40 0 CDABLO CCOC[C@H]1c2c([nH+]cn2C)CCN1Cc1nccn1C ZINC000096086767 185093598 /nfs/dbraw/zinc/09/35/98/185093598.db2.gz FWEMLHZNOMDCJC-ZDUSSCGKSA-N 1 2 289.383 1.290 40 0 CDABLO O[C@H]1C[N@H+](Cc2ncc[nH]2)CC[C@@H]1Cc1ccccc1F ZINC000585278530 342256965 /nfs/dbraw/zinc/25/69/65/342256965.db2.gz OMJSSQXBZZWYAA-HIFRSBDPSA-N 1 2 289.354 1.974 40 0 CDABLO O[C@H]1C[N@@H+](Cc2ncc[nH]2)CC[C@@H]1Cc1ccccc1F ZINC000585278530 342256966 /nfs/dbraw/zinc/25/69/66/342256966.db2.gz OMJSSQXBZZWYAA-HIFRSBDPSA-N 1 2 289.354 1.974 40 0 CDABLO CN(C)C(=O)OCC[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000158911588 342448516 /nfs/dbraw/zinc/44/85/16/342448516.db2.gz NEHDMXZKXPCLGZ-INIZCTEOSA-N 1 2 292.379 1.932 40 0 CDABLO CN(C)C(=O)OCC[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000158911588 342448517 /nfs/dbraw/zinc/44/85/17/342448517.db2.gz NEHDMXZKXPCLGZ-INIZCTEOSA-N 1 2 292.379 1.932 40 0 CDABLO Cc1cccc(C[N@H+](CC(N)=O)Cc2ccccn2)c1 ZINC000081019341 362205993 /nfs/dbraw/zinc/20/59/93/362205993.db2.gz PCQBWPAYIOHCKN-UHFFFAOYSA-N 1 2 269.348 1.878 40 0 CDABLO Cc1cccc(C[N@@H+](CC(N)=O)Cc2ccccn2)c1 ZINC000081019341 362205995 /nfs/dbraw/zinc/20/59/95/362205995.db2.gz PCQBWPAYIOHCKN-UHFFFAOYSA-N 1 2 269.348 1.878 40 0 CDABLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccco1 ZINC000152811581 188045887 /nfs/dbraw/zinc/04/58/87/188045887.db2.gz WTGIUKBSUAWSJA-LLVKDONJSA-N 1 2 257.293 1.683 40 0 CDABLO CN1CCN(C(=O)c2ccoc2)Cc2ccc[nH+]c21 ZINC000096060911 282931343 /nfs/dbraw/zinc/93/13/43/282931343.db2.gz NWNNEPZSXIOIDC-UHFFFAOYSA-N 1 2 257.293 1.767 40 0 CDABLO CCC[C@@]1([NH+]2CCCC2)C(=O)NC(=O)N(CC)C1=O ZINC000031772194 356770024 /nfs/dbraw/zinc/77/00/24/356770024.db2.gz ONHPODHHWOCLAZ-CYBMUJFWSA-N 1 2 267.329 1.560 40 0 CDABLO CCC[C@]1([NH+]2CCCC2)C(=O)NC(=O)N(CC)C1=O ZINC000031772195 356770142 /nfs/dbraw/zinc/77/01/42/356770142.db2.gz ONHPODHHWOCLAZ-ZDUSSCGKSA-N 1 2 267.329 1.560 40 0 CDABLO C1=CC[C@H]([C@@H]2OC[C@@H](COCC[NH+]3CCOCC3)O2)CC1 ZINC000016137677 357488512 /nfs/dbraw/zinc/48/85/12/357488512.db2.gz JVWDPRYVPFMYDU-ARFHVFGLSA-N 1 2 297.395 1.433 40 0 CDABLO CSc1ccc(OCC[N@@H+]2CCNC(=O)[C@H]2C)cc1 ZINC000075685472 359917329 /nfs/dbraw/zinc/91/73/29/359917329.db2.gz OIEMHJHGMIFGTQ-LLVKDONJSA-N 1 2 280.393 1.608 40 0 CDABLO CSc1ccc(OCC[N@H+]2CCNC(=O)[C@H]2C)cc1 ZINC000075685472 359917331 /nfs/dbraw/zinc/91/73/31/359917331.db2.gz OIEMHJHGMIFGTQ-LLVKDONJSA-N 1 2 280.393 1.608 40 0 CDABLO Cc1cccnc1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000225510049 374581799 /nfs/dbraw/zinc/58/17/99/374581799.db2.gz BFZBFZSDEZITDO-JTQLQIEISA-N 1 2 256.309 1.857 40 0 CDABLO Cc1cccnc1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000225510049 374581804 /nfs/dbraw/zinc/58/18/04/374581804.db2.gz BFZBFZSDEZITDO-JTQLQIEISA-N 1 2 256.309 1.857 40 0 CDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cscn2)[nH+]1 ZINC000257335547 291618667 /nfs/dbraw/zinc/61/86/67/291618667.db2.gz YKPXNEVXARZTEL-JTQLQIEISA-N 1 2 278.337 1.388 40 0 CDABLO Cn1ccc(C[NH2+]Cc2ccn(CC(F)(F)F)n2)n1 ZINC000256053052 190004532 /nfs/dbraw/zinc/00/45/32/190004532.db2.gz PUDOVYJFLNRCGW-UHFFFAOYSA-N 1 2 273.262 1.469 40 0 CDABLO CNc1cc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc[nH+]1 ZINC000257200459 190010621 /nfs/dbraw/zinc/01/06/21/190010621.db2.gz ADLHMSPZLAJEQU-GFCCVEGCSA-N 1 2 298.412 1.109 40 0 CDABLO Cc1ccc(C[C@@H]2COCC[N@H+](Cc3ncc[nH]3)C2)nc1 ZINC000257235641 190016872 /nfs/dbraw/zinc/01/68/72/190016872.db2.gz GYSZZNLTNRQICP-AWEZNQCLSA-N 1 2 286.379 1.804 40 0 CDABLO Cc1ccc(C[C@@H]2COCC[N@@H+](Cc3ncc[nH]3)C2)nc1 ZINC000257235641 190016873 /nfs/dbraw/zinc/01/68/73/190016873.db2.gz GYSZZNLTNRQICP-AWEZNQCLSA-N 1 2 286.379 1.804 40 0 CDABLO Cc1c[nH]c([C@@H]2CCCN(S(=O)(=O)C(C)C)C2)[nH+]1 ZINC000257286169 190027384 /nfs/dbraw/zinc/02/73/84/190027384.db2.gz PKOUEOSJROLPGD-LLVKDONJSA-N 1 2 271.386 1.636 40 0 CDABLO CN(C)c1cccc([C@H]2CN(Cc3c[nH+]c[nH]3)CCO2)n1 ZINC000257312489 190031747 /nfs/dbraw/zinc/03/17/47/190031747.db2.gz UOEALVGICJARKB-CQSZACIVSA-N 1 2 287.367 1.444 40 0 CDABLO CN(C)c1cccc([C@H]2CN(Cc3c[nH]c[nH+]3)CCO2)n1 ZINC000257312489 190031748 /nfs/dbraw/zinc/03/17/48/190031748.db2.gz UOEALVGICJARKB-CQSZACIVSA-N 1 2 287.367 1.444 40 0 CDABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3cnco3)C2)[nH+]1 ZINC000257305577 190031274 /nfs/dbraw/zinc/03/12/74/190031274.db2.gz SQPOZTNHVYWSEX-JTQLQIEISA-N 1 2 260.297 1.346 40 0 CDABLO Cn1ccnc1C[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000257318478 190033808 /nfs/dbraw/zinc/03/38/08/190033808.db2.gz VOCFKYZUZUIHPE-ZIAGYGMSSA-N 1 2 273.336 1.044 40 0 CDABLO Cn1ccnc1C[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000257318478 190033809 /nfs/dbraw/zinc/03/38/09/190033809.db2.gz VOCFKYZUZUIHPE-ZIAGYGMSSA-N 1 2 273.336 1.044 40 0 CDABLO O[C@@H]1CN(Cc2[nH]cc[nH+]2)C[C@H]1Oc1ccccc1 ZINC000257323869 190034339 /nfs/dbraw/zinc/03/43/39/190034339.db2.gz WMDZCBYHADFVQU-CHWSQXEVSA-N 1 2 259.309 1.034 40 0 CDABLO O[C@@H]1C[N@H+](Cc2ncc[nH]2)C[C@H]1Oc1ccccc1 ZINC000257323869 190034340 /nfs/dbraw/zinc/03/43/40/190034340.db2.gz WMDZCBYHADFVQU-CHWSQXEVSA-N 1 2 259.309 1.034 40 0 CDABLO O[C@@H]1C[N@@H+](Cc2ncc[nH]2)C[C@H]1Oc1ccccc1 ZINC000257323869 190034341 /nfs/dbraw/zinc/03/43/41/190034341.db2.gz WMDZCBYHADFVQU-CHWSQXEVSA-N 1 2 259.309 1.034 40 0 CDABLO C[NH+](C)[C@@H]1CN(C(=O)c2ccc3c(c2)CCCC3)C[C@H]1O ZINC000257323408 190034434 /nfs/dbraw/zinc/03/44/34/190034434.db2.gz WKAGGTLJEWZQDL-HZPDHXFCSA-N 1 2 288.391 1.312 40 0 CDABLO Cc1c[nH]c([C@H]2CCCN2Cc2cnc(N(C)C)nc2)[nH+]1 ZINC000257338364 190036104 /nfs/dbraw/zinc/03/61/04/190036104.db2.gz YXAYFUBUPRFFTK-CYBMUJFWSA-N 1 2 286.383 1.911 40 0 CDABLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1COc2ccccc2C1 ZINC000332846127 149281975 /nfs/dbraw/zinc/28/19/75/149281975.db2.gz HJNIRVMWGDEFAQ-OLZOCXBDSA-N 1 2 297.358 1.635 40 0 CDABLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1COc2ccccc2C1 ZINC000332846127 149281977 /nfs/dbraw/zinc/28/19/77/149281977.db2.gz HJNIRVMWGDEFAQ-OLZOCXBDSA-N 1 2 297.358 1.635 40 0 CDABLO C[NH+]1CCN(C(=O)c2nnc3ccc(Cl)cc3n2)CC1 ZINC000046088560 175392425 /nfs/dbraw/zinc/39/24/25/175392425.db2.gz SAVDBCZHHQTILL-UHFFFAOYSA-N 1 2 291.742 1.066 40 0 CDABLO CC1(C)CN1c1nc(N2CC2(C)C)[nH+]c(N2CC2(C)C)n1 ZINC000001701029 281273495 /nfs/dbraw/zinc/27/34/95/281273495.db2.gz XQBPVIXOAFZEEK-UHFFFAOYSA-N 1 2 288.399 1.667 40 0 CDABLO C[NH+]1CSC(=S)NCCNC(=S)SC1 ZINC000056681507 290260122 /nfs/dbraw/zinc/26/01/22/290260122.db2.gz WLTXCBSJOOTPKB-UHFFFAOYSA-N 1 2 267.470 1.062 40 0 CDABLO Cc1ccc2nnc(C(=O)NCCCn3cc[nH+]c3)nc2c1 ZINC000046088632 1166300548 /nfs/dbraw/zinc/30/05/48/1166300548.db2.gz ZNXYZYBKCDUHHX-UHFFFAOYSA-N 1 2 296.334 1.350 40 0 CDABLO COC[C@H]1CN(Cc2c(C)noc2C)Cc2[nH+]cn(C)c21 ZINC000096044753 185071722 /nfs/dbraw/zinc/07/17/22/185071722.db2.gz MLXVCDKPOPSKGV-GFCCVEGCSA-N 1 2 290.367 1.771 40 0 CDABLO COC[C@H]1C[N@H+](Cc2c(C)noc2C)Cc2ncn(C)c21 ZINC000096044753 185071723 /nfs/dbraw/zinc/07/17/23/185071723.db2.gz MLXVCDKPOPSKGV-GFCCVEGCSA-N 1 2 290.367 1.771 40 0 CDABLO COC[C@H]1C[N@@H+](Cc2c(C)noc2C)Cc2ncn(C)c21 ZINC000096044753 185071724 /nfs/dbraw/zinc/07/17/24/185071724.db2.gz MLXVCDKPOPSKGV-GFCCVEGCSA-N 1 2 290.367 1.771 40 0 CDABLO CCOC[C@@H]1CN(Cc2ccccn2)Cc2[nH+]cn(C)c21 ZINC000096060216 185080988 /nfs/dbraw/zinc/08/09/88/185080988.db2.gz LLABFWJXDSVURH-ZDUSSCGKSA-N 1 2 286.379 1.951 40 0 CDABLO OC[C@@]1(Cc2ccccc2)C[N@H+](Cc2cncnc2)CCO1 ZINC000585269039 342254449 /nfs/dbraw/zinc/25/44/49/342254449.db2.gz IPDCLUKITZLHLE-QGZVFWFLSA-N 1 2 299.374 1.283 40 0 CDABLO OC[C@@]1(Cc2ccccc2)C[N@@H+](Cc2cncnc2)CCO1 ZINC000585269039 342254450 /nfs/dbraw/zinc/25/44/50/342254450.db2.gz IPDCLUKITZLHLE-QGZVFWFLSA-N 1 2 299.374 1.283 40 0 CDABLO CCOC(=O)c1cnc(Nc2[nH]c3ccccc3[nH+]2)[nH]c1=O ZINC000090470861 358477008 /nfs/dbraw/zinc/47/70/08/358477008.db2.gz ZMNIDKCGHFKPGH-UHFFFAOYSA-N 1 2 299.290 1.567 40 0 CDABLO CC(=O)N1CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000060100376 357438703 /nfs/dbraw/zinc/43/87/03/357438703.db2.gz PBNUANRHORQNTN-UHFFFAOYSA-N 1 2 276.336 1.122 40 0 CDABLO CC[C@@H](C(=O)OC)[NH+]1CCN(c2ccccc2)CC1 ZINC000022123251 359043575 /nfs/dbraw/zinc/04/35/75/359043575.db2.gz CTKPVRYCLBYAGH-AWEZNQCLSA-N 1 2 262.353 1.760 40 0 CDABLO CC(C)NC(=O)CN1c2ccccc2C2=[NH+]CCN2C1=O ZINC000057467212 359099777 /nfs/dbraw/zinc/09/97/77/359099777.db2.gz KVCWGJFJQXREIB-UHFFFAOYSA-N 1 2 286.335 1.213 40 0 CDABLO C1=CC[C@H]([C@H]2OC[C@H](COCC[NH+]3CCOCC3)O2)CC1 ZINC000033676030 359737612 /nfs/dbraw/zinc/73/76/12/359737612.db2.gz JVWDPRYVPFMYDU-JYJNAYRXSA-N 1 2 297.395 1.433 40 0 CDABLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)N[C@H]2CC[C@H](O)CC2)C1 ZINC000331976045 204350891 /nfs/dbraw/zinc/35/08/91/204350891.db2.gz VKEQAROAEGZTRV-AVGNSLFASA-N 1 2 292.383 1.223 40 0 CDABLO CCc1nc(C[N@H+](CCC(=O)OC)C(C)C)no1 ZINC000079100050 374769861 /nfs/dbraw/zinc/76/98/61/374769861.db2.gz UKCBCOCGILXVEY-UHFFFAOYSA-N 1 2 255.318 1.406 40 0 CDABLO CCc1nc(C[N@@H+](CCC(=O)OC)C(C)C)no1 ZINC000079100050 374769867 /nfs/dbraw/zinc/76/98/67/374769867.db2.gz UKCBCOCGILXVEY-UHFFFAOYSA-N 1 2 255.318 1.406 40 0 CDABLO CCn1nc(C)c(C(=O)NCCCn2cc[nH+]c2)c1C ZINC000027983041 375168320 /nfs/dbraw/zinc/16/83/20/375168320.db2.gz AHRCUZUIJWKVCI-UHFFFAOYSA-N 1 2 275.356 1.536 40 0 CDABLO Cc1nn(C)cc1C[NH2+]Cc1ccn(CC(C)C)n1 ZINC000256049511 190002152 /nfs/dbraw/zinc/00/21/52/190002152.db2.gz AGSYDKKHCSPTJY-UHFFFAOYSA-N 1 2 261.373 1.871 40 0 CDABLO Cc1nc(N2CCC[C@H]2c2ncc(C(N)=O)s2)cc[nH+]1 ZINC000257201675 190010946 /nfs/dbraw/zinc/01/09/46/190010946.db2.gz AINGCOMIQMBISY-VIFPVBQESA-N 1 2 289.364 1.682 40 0 CDABLO COc1ncc(C[N@@H+]2CCC[C@@H]2c2cnccn2)cn1 ZINC000257247332 190019298 /nfs/dbraw/zinc/01/92/98/190019298.db2.gz IYNKJFOXZUZIGN-CYBMUJFWSA-N 1 2 271.324 1.612 40 0 CDABLO COc1ncc(C[N@H+]2CCC[C@@H]2c2cnccn2)cn1 ZINC000257247332 190019299 /nfs/dbraw/zinc/01/92/99/190019299.db2.gz IYNKJFOXZUZIGN-CYBMUJFWSA-N 1 2 271.324 1.612 40 0 CDABLO Fc1ccc(C[C@H]2CN(Cc3[nH]cc[nH+]3)CCO2)cc1 ZINC000257244460 190019486 /nfs/dbraw/zinc/01/94/86/190019486.db2.gz ILKMBAXKPOOVFI-AWEZNQCLSA-N 1 2 275.327 1.992 40 0 CDABLO COc1nc(OC)nc(N2CCC[C@H]2c2[nH]cc(C)[nH+]2)n1 ZINC000257289077 190027669 /nfs/dbraw/zinc/02/76/69/190027669.db2.gz PWWZKMZMCQIFIC-VIFPVBQESA-N 1 2 290.327 1.262 40 0 CDABLO C[C@@H](Nc1nc[nH+]c2c1NC(=O)CN2)c1ccccn1 ZINC000041121389 379334347 /nfs/dbraw/zinc/33/43/47/379334347.db2.gz NVDSTNLGEFBQJX-MRVPVSSYSA-N 1 2 270.296 1.409 40 0 CDABLO C[C@@H](Nc1[nH+]cnc2c1NC(=O)CN2)c1ccccn1 ZINC000041121389 379334356 /nfs/dbraw/zinc/33/43/56/379334356.db2.gz NVDSTNLGEFBQJX-MRVPVSSYSA-N 1 2 270.296 1.409 40 0 CDABLO C[C@H]1CCc2n[nH]c(C(=O)N[C@@H]3C[NH+]4CCC3CC4)c2C1 ZINC000012146881 390202410 /nfs/dbraw/zinc/20/24/10/390202410.db2.gz IPZMEBHLTDWGEL-IINYFYTJSA-N 1 2 288.395 1.359 40 0 CDABLO COC[C@@H]1Cn2ccnc2C[N@H+](Cc2ccco2)C1 ZINC000096059061 390912294 /nfs/dbraw/zinc/91/22/94/390912294.db2.gz KEEZUMXVLSLHIX-LBPRGKRZSA-N 1 2 261.325 1.755 40 0 CDABLO COC[C@@H]1Cn2ccnc2C[N@@H+](Cc2ccco2)C1 ZINC000096059061 390912296 /nfs/dbraw/zinc/91/22/96/390912296.db2.gz KEEZUMXVLSLHIX-LBPRGKRZSA-N 1 2 261.325 1.755 40 0 CDABLO O=C([O-])COc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000062717082 392803895 /nfs/dbraw/zinc/80/38/95/392803895.db2.gz HZNGLOAKFPMQMG-UHFFFAOYSA-N 1 2 289.335 1.526 40 0 CDABLO CNc1cc(C)[nH+]c([C@@H]2CCN(c3cnccn3)C2)n1 ZINC000072381090 176387600 /nfs/dbraw/zinc/38/76/00/176387600.db2.gz MJEZGYMFGUUXKR-LLVKDONJSA-N 1 2 270.340 1.611 40 0 CDABLO Cc1ccc(CCC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000025767420 262363396 /nfs/dbraw/zinc/36/33/96/262363396.db2.gz KDTATSLKIRATAJ-UHFFFAOYSA-N 1 2 276.380 1.376 40 0 CDABLO Cc1c[nH]c([C@@H]2COCCN2C2CCOCC2)[nH+]1 ZINC000257317325 301024795 /nfs/dbraw/zinc/02/47/95/301024795.db2.gz VJHVKJWMNIDPQU-LBPRGKRZSA-N 1 2 251.330 1.270 40 0 CDABLO COC(=O)C1(C(=O)NCc2cn3cccc(C)c3[nH+]2)CC1 ZINC000133616538 323211244 /nfs/dbraw/zinc/21/12/44/323211244.db2.gz DYAXYYUFLVHPJG-UHFFFAOYSA-N 1 2 287.319 1.212 40 0 CDABLO COC[C@@H]1CN(Cc2ccccn2)Cc2[nH+]cn(C)c21 ZINC000096060192 185080256 /nfs/dbraw/zinc/08/02/56/185080256.db2.gz NHQSOQFMTCLKCX-LBPRGKRZSA-N 1 2 272.352 1.561 40 0 CDABLO COC[C@@H]1C[N@H+](Cc2ccccn2)Cc2ncn(C)c21 ZINC000096060192 185080257 /nfs/dbraw/zinc/08/02/57/185080257.db2.gz NHQSOQFMTCLKCX-LBPRGKRZSA-N 1 2 272.352 1.561 40 0 CDABLO COC[C@@H]1C[N@@H+](Cc2ccccn2)Cc2ncn(C)c21 ZINC000096060192 185080258 /nfs/dbraw/zinc/08/02/58/185080258.db2.gz NHQSOQFMTCLKCX-LBPRGKRZSA-N 1 2 272.352 1.561 40 0 CDABLO CCOC[C@H]1C[N@H+](Cc2ccncc2)Cc2nn(C)cc21 ZINC000096060393 185080838 /nfs/dbraw/zinc/08/08/38/185080838.db2.gz UILNRAJZIFLCPT-CQSZACIVSA-N 1 2 286.379 1.951 40 0 CDABLO CCOC[C@H]1C[N@@H+](Cc2ccncc2)Cc2nn(C)cc21 ZINC000096060393 185080840 /nfs/dbraw/zinc/08/08/40/185080840.db2.gz UILNRAJZIFLCPT-CQSZACIVSA-N 1 2 286.379 1.951 40 0 CDABLO CCOC[C@H]1C[N@H+](Cc2cccnc2)Cc2nn(C)cc21 ZINC000096060391 185081868 /nfs/dbraw/zinc/08/18/68/185081868.db2.gz SMCVGWCNBPRYGY-CQSZACIVSA-N 1 2 286.379 1.951 40 0 CDABLO CCOC[C@H]1C[N@@H+](Cc2cccnc2)Cc2nn(C)cc21 ZINC000096060391 185081870 /nfs/dbraw/zinc/08/18/70/185081870.db2.gz SMCVGWCNBPRYGY-CQSZACIVSA-N 1 2 286.379 1.951 40 0 CDABLO COC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)[C@H]1CCCS1 ZINC000585094768 342211356 /nfs/dbraw/zinc/21/13/56/342211356.db2.gz LSKSSWXAFGRMNP-GXFFZTMASA-N 1 2 295.408 1.215 40 0 CDABLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)c1cncs1 ZINC000585182302 342232709 /nfs/dbraw/zinc/23/27/09/342232709.db2.gz FXJWGCLSKPVDPE-NSHDSACASA-N 1 2 288.376 1.937 40 0 CDABLO O=C(C[N@@H+]1CCOc2ccccc2C1)NC1CCCC1 ZINC000076848914 342448639 /nfs/dbraw/zinc/44/86/39/342448639.db2.gz BEQKHLLSFZBKBP-UHFFFAOYSA-N 1 2 274.364 1.940 40 0 CDABLO O=C(C[N@H+]1CCOc2ccccc2C1)NC1CCCC1 ZINC000076848914 342448640 /nfs/dbraw/zinc/44/86/40/342448640.db2.gz BEQKHLLSFZBKBP-UHFFFAOYSA-N 1 2 274.364 1.940 40 0 CDABLO CCn1cc(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)cn1 ZINC000130500914 136388748 /nfs/dbraw/zinc/38/87/48/136388748.db2.gz SYGJOUDXRBUMRY-CQSZACIVSA-N 1 2 299.378 1.697 40 0 CDABLO Cc1cc(=O)[nH]c([C@@H]2CN(c3cc[nH+]c(C)n3)CCO2)n1 ZINC000257256268 362581128 /nfs/dbraw/zinc/58/11/28/362581128.db2.gz KKTKUKGTFVKCCM-NSHDSACASA-N 1 2 287.323 1.167 40 0 CDABLO CCN1C(=O)C(C)(C)[NH2+][C@@]1(C)Cc1ccc(O)cc1 ZINC000333907438 363215622 /nfs/dbraw/zinc/21/56/22/363215622.db2.gz DAWYQVOIUIKBPW-OAHLLOKOSA-N 1 2 262.353 1.881 40 0 CDABLO c1cnc(N2C[C@H]3CN(c4cccc[nH+]4)C[C@H]3C2)nc1 ZINC000096182378 358713260 /nfs/dbraw/zinc/71/32/60/358713260.db2.gz XIMMUYMCVRHEMK-BETUJISGSA-N 1 2 267.336 1.444 40 0 CDABLO CCOC[C@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1cnn(C)c1 ZINC000096249904 358726864 /nfs/dbraw/zinc/72/68/64/358726864.db2.gz ZWBLARGDOAVPED-ILXRZTDVSA-N 1 2 279.384 1.436 40 0 CDABLO CCOC[C@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1cnn(C)c1 ZINC000096249904 358726866 /nfs/dbraw/zinc/72/68/66/358726866.db2.gz ZWBLARGDOAVPED-ILXRZTDVSA-N 1 2 279.384 1.436 40 0 CDABLO Cc1nnc(C[N@@H+](CCN2CCOC[C@@H]2C)C(C)(C)C)o1 ZINC000330032000 374839312 /nfs/dbraw/zinc/83/93/12/374839312.db2.gz HDAUBAFIJZESMS-LBPRGKRZSA-N 1 2 296.415 1.699 40 0 CDABLO Cc1nnc(C[N@H+](CCN2CCOC[C@@H]2C)C(C)(C)C)o1 ZINC000330032000 374839316 /nfs/dbraw/zinc/83/93/16/374839316.db2.gz HDAUBAFIJZESMS-LBPRGKRZSA-N 1 2 296.415 1.699 40 0 CDABLO Cc1nnc(CN(CC[N@H+]2CCOC[C@@H]2C)C(C)(C)C)o1 ZINC000330032000 374839322 /nfs/dbraw/zinc/83/93/22/374839322.db2.gz HDAUBAFIJZESMS-LBPRGKRZSA-N 1 2 296.415 1.699 40 0 CDABLO Cc1nnc(CN(CC[N@@H+]2CCOC[C@@H]2C)C(C)(C)C)o1 ZINC000330032000 374839329 /nfs/dbraw/zinc/83/93/29/374839329.db2.gz HDAUBAFIJZESMS-LBPRGKRZSA-N 1 2 296.415 1.699 40 0 CDABLO Cc1nc(C(=O)N2CC[C@]3(CCn4cc[nH+]c43)C2)cs1 ZINC000306123929 374967937 /nfs/dbraw/zinc/96/79/37/374967937.db2.gz BAUAHEWPJDIJLW-CQSZACIVSA-N 1 2 288.376 1.836 40 0 CDABLO CCCCN(CC(N)=O)c1cc(C)[nH+]c(CC)n1 ZINC000225822613 375212235 /nfs/dbraw/zinc/21/22/35/375212235.db2.gz AMUSLRGASRUANR-UHFFFAOYSA-N 1 2 250.346 1.439 40 0 CDABLO OCC[N@@H+]1CCO[C@@H](COc2cccc(Cl)c2)C1 ZINC000217484415 375655326 /nfs/dbraw/zinc/65/53/26/375655326.db2.gz XDUVGCMQEBYJJW-CYBMUJFWSA-N 1 2 271.744 1.412 40 0 CDABLO OCC[N@H+]1CCO[C@@H](COc2cccc(Cl)c2)C1 ZINC000217484415 375655329 /nfs/dbraw/zinc/65/53/29/375655329.db2.gz XDUVGCMQEBYJJW-CYBMUJFWSA-N 1 2 271.744 1.412 40 0 CDABLO Cc1ccc(OC[C@@H]2C[N@H+](CCO)CCO2)cc1 ZINC000217489971 375657946 /nfs/dbraw/zinc/65/79/46/375657946.db2.gz PUWNRMGURSHTCV-AWEZNQCLSA-N 1 2 251.326 1.067 40 0 CDABLO Cc1ccc(OC[C@@H]2C[N@@H+](CCO)CCO2)cc1 ZINC000217489971 375657952 /nfs/dbraw/zinc/65/79/52/375657952.db2.gz PUWNRMGURSHTCV-AWEZNQCLSA-N 1 2 251.326 1.067 40 0 CDABLO CC[N@H+](Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000058017220 375635017 /nfs/dbraw/zinc/63/50/17/375635017.db2.gz MAGWZCMMFAWCTI-CYBMUJFWSA-N 1 2 271.357 1.835 40 0 CDABLO CC[N@@H+](Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000058017220 375635023 /nfs/dbraw/zinc/63/50/23/375635023.db2.gz MAGWZCMMFAWCTI-CYBMUJFWSA-N 1 2 271.357 1.835 40 0 CDABLO CC(=O)NCC(=O)N1CCC(Cc2cc[nH+]c(C)c2)CC1 ZINC000257205539 190011324 /nfs/dbraw/zinc/01/13/24/190011324.db2.gz AZNXEHWINITCLO-UHFFFAOYSA-N 1 2 289.379 1.307 40 0 CDABLO CCn1cc(C(=O)N2CCC[C@@H](c3[nH]cc(C)[nH+]3)C2)cn1 ZINC000257250286 190019725 /nfs/dbraw/zinc/01/97/25/190019725.db2.gz JLXOLIYBMSHWGF-GFCCVEGCSA-N 1 2 287.367 1.954 40 0 CDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cccc(C)n2)[nH+]1 ZINC000257254793 190020999 /nfs/dbraw/zinc/02/09/99/190020999.db2.gz KESHFIIPNHJPPF-ZDUSSCGKSA-N 1 2 286.335 1.635 40 0 CDABLO O[C@H]1CC[N@H+](Cc2ccc(Cl)cn2)C[C@@]12CCCO2 ZINC000257312502 190032076 /nfs/dbraw/zinc/03/20/76/190032076.db2.gz UOGLJAFBLOCUDW-KBPBESRZSA-N 1 2 282.771 1.851 40 0 CDABLO O[C@H]1CC[N@@H+](Cc2ccc(Cl)cn2)C[C@@]12CCCO2 ZINC000257312502 190032077 /nfs/dbraw/zinc/03/20/77/190032077.db2.gz UOGLJAFBLOCUDW-KBPBESRZSA-N 1 2 282.771 1.851 40 0 CDABLO CC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)cc2F)C[C@H]1O ZINC000257335716 190036263 /nfs/dbraw/zinc/03/62/63/190036263.db2.gz YLNPFMCIEKWBPJ-CHWSQXEVSA-N 1 2 286.734 1.160 40 0 CDABLO CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2F)C[C@H]1O ZINC000257335716 190036264 /nfs/dbraw/zinc/03/62/64/190036264.db2.gz YLNPFMCIEKWBPJ-CHWSQXEVSA-N 1 2 286.734 1.160 40 0 CDABLO C[NH+]1CCN([C@@H]2CCCc3ccccc3C2=O)CC1 ZINC000019366497 390227006 /nfs/dbraw/zinc/22/70/06/390227006.db2.gz YNHKQOZBBSHFQT-OAHLLOKOSA-N 1 2 258.365 1.822 40 0 CDABLO CN1CC[NH+]([C@@H]2CCCc3ccccc3C2=O)CC1 ZINC000019366497 390227009 /nfs/dbraw/zinc/22/70/09/390227009.db2.gz YNHKQOZBBSHFQT-OAHLLOKOSA-N 1 2 258.365 1.822 40 0 CDABLO c1ncc(C[N@@H+]2CC[C@@]3(CCN3c3ncccn3)C2)[nH]1 ZINC000096076137 398070473 /nfs/dbraw/zinc/07/04/73/398070473.db2.gz WXWXQIXRYBOLJK-CQSZACIVSA-N 1 2 270.340 1.055 40 0 CDABLO c1ncc(C[N@H+]2CC[C@@]3(CCN3c3ncccn3)C2)[nH]1 ZINC000096076137 398070475 /nfs/dbraw/zinc/07/04/75/398070475.db2.gz WXWXQIXRYBOLJK-CQSZACIVSA-N 1 2 270.340 1.055 40 0 CDABLO CO[C@H]1CSC2(C[NH+](Cc3cc(C)on3)C2)C1 ZINC000247891182 286079738 /nfs/dbraw/zinc/07/97/38/286079738.db2.gz FTPCSGONYNIVBR-LLVKDONJSA-N 1 2 254.355 1.689 40 0 CDABLO CC(=O)Nc1nc(C2CN(c3cc(C)[nH+]cn3)C2)cs1 ZINC000072369047 176383700 /nfs/dbraw/zinc/38/37/00/176383700.db2.gz CVEWSTRHVDJLAC-UHFFFAOYSA-N 1 2 289.364 1.804 40 0 CDABLO CNc1cncc([C@H]2CCCN2c2cc(C)[nH+]cn2)n1 ZINC000072385506 176390151 /nfs/dbraw/zinc/39/01/51/176390151.db2.gz UISDDGMZLAZDBR-GFCCVEGCSA-N 1 2 270.340 1.958 40 0 CDABLO CC(C)(C)N1C[C@@]2(C)c3ccccc3N[C@@]2([NH3+])C1=O ZINC000055066027 278352468 /nfs/dbraw/zinc/35/24/68/278352468.db2.gz DPBFMDRVECOLFK-GJZGRUSLSA-N 1 2 259.353 1.666 40 0 CDABLO CCOC[C@@H]1c2c([nH+]cn2C)CCN1C(=O)c1ccoc1 ZINC000096066758 279738389 /nfs/dbraw/zinc/73/83/89/279738389.db2.gz ZOXNFVGJUXJEBA-CYBMUJFWSA-N 1 2 289.335 1.789 40 0 CDABLO C[N@@H+]1CCO[C@@H](CNc2cnc(-c3ccccc3)cn2)C1 ZINC000570751170 294302081 /nfs/dbraw/zinc/30/20/81/294302081.db2.gz LDLFDVWXKMYILN-AWEZNQCLSA-N 1 2 284.363 1.886 40 0 CDABLO C[N@H+]1CCO[C@@H](CNc2cnc(-c3ccccc3)cn2)C1 ZINC000570751170 294302083 /nfs/dbraw/zinc/30/20/83/294302083.db2.gz LDLFDVWXKMYILN-AWEZNQCLSA-N 1 2 284.363 1.886 40 0 CDABLO O=C(c1n[nH]c2c1C[N@H+](CC1CC1)CC2)N1CC=CC1 ZINC000096066596 185083836 /nfs/dbraw/zinc/08/38/36/185083836.db2.gz QGXRQVSTUKWOEQ-UHFFFAOYSA-N 1 2 272.352 1.190 40 0 CDABLO O=C(c1n[nH]c2c1C[N@@H+](CC1CC1)CC2)N1CC=CC1 ZINC000096066596 185083838 /nfs/dbraw/zinc/08/38/38/185083838.db2.gz QGXRQVSTUKWOEQ-UHFFFAOYSA-N 1 2 272.352 1.190 40 0 CDABLO Cn1ccc(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000257304742 362583748 /nfs/dbraw/zinc/58/37/48/362583748.db2.gz SMZLJSMLMSXXOM-GFCCVEGCSA-N 1 2 285.351 1.214 40 0 CDABLO O=c1[nH]c2ccccc2c(=O)n1CCc1c[nH+]c[nH]1 ZINC000408712802 356099742 /nfs/dbraw/zinc/09/97/42/356099742.db2.gz SMPRAWRNRFYDCC-UHFFFAOYSA-N 1 2 256.265 1.068 40 0 CDABLO O=c1[nH]c2ccccc2c(=O)n1CCc1c[nH]c[nH+]1 ZINC000408712802 356099745 /nfs/dbraw/zinc/09/97/45/356099745.db2.gz SMPRAWRNRFYDCC-UHFFFAOYSA-N 1 2 256.265 1.068 40 0 CDABLO S=C(NCCc1c[nH+]c[nH]1)NC1CCCCC1 ZINC000013741789 356355484 /nfs/dbraw/zinc/35/54/84/356355484.db2.gz VTOSZEZIVREOGU-UHFFFAOYSA-N 1 2 252.387 1.749 40 0 CDABLO S=C(NCCc1c[nH]c[nH+]1)NC1CCCCC1 ZINC000013741789 356355487 /nfs/dbraw/zinc/35/54/87/356355487.db2.gz VTOSZEZIVREOGU-UHFFFAOYSA-N 1 2 252.387 1.749 40 0 CDABLO C[C@@]1(c2n[nH]cc2C(N)=O)CCCN(c2cccc[nH+]2)C1 ZINC000072388704 357831962 /nfs/dbraw/zinc/83/19/62/357831962.db2.gz WAAJUPVTOCIQNB-OAHLLOKOSA-N 1 2 285.351 1.462 40 0 CDABLO COc1cccc(CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000220279938 358103961 /nfs/dbraw/zinc/10/39/61/358103961.db2.gz BJTBEUCGRZTPDG-GFCCVEGCSA-N 1 2 285.347 1.840 40 0 CDABLO COc1cccc(CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000220279938 358103966 /nfs/dbraw/zinc/10/39/66/358103966.db2.gz BJTBEUCGRZTPDG-GFCCVEGCSA-N 1 2 285.347 1.840 40 0 CDABLO CCOC(=O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095091738 358677617 /nfs/dbraw/zinc/67/76/17/358677617.db2.gz RNPSLRCZCCMKEJ-SNVBAGLBSA-N 1 2 272.345 1.149 40 0 CDABLO CO[C@H]1CC[N@H+](Cc2nccs2)[C@H]2CCO[C@@H]21 ZINC000096215701 358721318 /nfs/dbraw/zinc/72/13/18/358721318.db2.gz KXWKCRWMZADKDO-NHCYSSNCSA-N 1 2 254.355 1.521 40 0 CDABLO CO[C@H]1CC[N@@H+](Cc2nccs2)[C@H]2CCO[C@@H]21 ZINC000096215701 358721320 /nfs/dbraw/zinc/72/13/20/358721320.db2.gz KXWKCRWMZADKDO-NHCYSSNCSA-N 1 2 254.355 1.521 40 0 CDABLO COC[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1[nH+]ccn1C ZINC000096249900 358726637 /nfs/dbraw/zinc/72/66/37/358726637.db2.gz DFFLXUVPRMMCFY-OBJOEFQTSA-N 1 2 265.357 1.046 40 0 CDABLO COC(=O)c1cn(C)nc1C[NH+]1CCCCCC1 ZINC000575441554 365004939 /nfs/dbraw/zinc/00/49/39/365004939.db2.gz UVJDEOBTDOBBJR-UHFFFAOYSA-N 1 2 251.330 1.583 40 0 CDABLO COC(=O)[C@@H](F)CN1CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000225468750 374468756 /nfs/dbraw/zinc/46/87/56/374468756.db2.gz VYQLEAVCOYXPCV-OLZOCXBDSA-N 1 2 295.358 1.271 40 0 CDABLO O=C(NCC1CCOCC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000225512008 374626832 /nfs/dbraw/zinc/62/68/32/374626832.db2.gz WZUWGTLHELNYQL-LLVKDONJSA-N 1 2 263.341 1.057 40 0 CDABLO O=C(NCC1CCOCC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000225512008 374626844 /nfs/dbraw/zinc/62/68/44/374626844.db2.gz WZUWGTLHELNYQL-LLVKDONJSA-N 1 2 263.341 1.057 40 0 CDABLO COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@H+](C)C2 ZINC000096111939 375058392 /nfs/dbraw/zinc/05/83/92/375058392.db2.gz PHRFXSSBZJZJND-AAEUAGOBSA-N 1 2 276.336 1.131 40 0 biogenic,in-vitro CDABLO COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@@H+](C)C2 ZINC000096111939 375058393 /nfs/dbraw/zinc/05/83/93/375058393.db2.gz PHRFXSSBZJZJND-AAEUAGOBSA-N 1 2 276.336 1.131 40 0 biogenic,in-vitro CDABLO Cn1nccc1C[NH2+]Cc1ccn(CC(F)F)n1 ZINC000256050473 190002929 /nfs/dbraw/zinc/00/29/29/190002929.db2.gz FDEAWSONFRYIOD-UHFFFAOYSA-N 1 2 255.272 1.172 40 0 CDABLO CNc1cc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc[nH+]1 ZINC000257200460 190010681 /nfs/dbraw/zinc/01/06/81/190010681.db2.gz ADLHMSPZLAJEQU-LBPRGKRZSA-N 1 2 298.412 1.109 40 0 CDABLO CNc1cc([C@H]2CCCN2C(=O)c2cnn(C)c2)cc[nH+]1 ZINC000257211645 190011998 /nfs/dbraw/zinc/01/19/98/190011998.db2.gz BZRULNWVAHKTHA-CYBMUJFWSA-N 1 2 285.351 1.834 40 0 CDABLO CC(=O)N1CC[N@H+](Cc2cnccn2)C[C@@H]1c1ccccc1 ZINC000257254405 190020500 /nfs/dbraw/zinc/02/05/00/190020500.db2.gz KCXUQIXGLJGKQQ-QGZVFWFLSA-N 1 2 296.374 1.882 40 0 CDABLO CC(=O)N1CC[N@@H+](Cc2cnccn2)C[C@@H]1c1ccccc1 ZINC000257254405 190020501 /nfs/dbraw/zinc/02/05/01/190020501.db2.gz KCXUQIXGLJGKQQ-QGZVFWFLSA-N 1 2 296.374 1.882 40 0 CDABLO O[C@@H]1C[N@H+](Cc2cscn2)C[C@H]1Oc1ccccc1 ZINC000257247308 190019101 /nfs/dbraw/zinc/01/91/01/190019101.db2.gz IYJMAPGZSGJMMN-ZIAGYGMSSA-N 1 2 276.361 1.767 40 0 CDABLO O[C@@H]1C[N@@H+](Cc2cscn2)C[C@H]1Oc1ccccc1 ZINC000257247308 190019102 /nfs/dbraw/zinc/01/91/02/190019102.db2.gz IYJMAPGZSGJMMN-ZIAGYGMSSA-N 1 2 276.361 1.767 40 0 CDABLO CCS(=O)(=O)N1CCC[C@@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257281147 190026333 /nfs/dbraw/zinc/02/63/33/190026333.db2.gz ONVQCQKZBGMORQ-SNVBAGLBSA-N 1 2 257.359 1.247 40 0 CDABLO COc1ccc(C(=O)N2CC[C@@H](c3[nH]cc(C)[nH+]3)C2)cn1 ZINC000257298967 190029884 /nfs/dbraw/zinc/02/98/84/190029884.db2.gz ROCXIAQBYMTHCA-GFCCVEGCSA-N 1 2 286.335 1.751 40 0 CDABLO Cc1[nH+]c2cc(C(=O)[O-])ccc2n1CCC[NH+](C)C ZINC000037309495 173112481 /nfs/dbraw/zinc/11/24/81/173112481.db2.gz MOKKGNNXOUQSCF-UHFFFAOYSA-N 1 2 261.325 1.995 40 0 CDABLO O=C1CNc2nc[nH+]c(NCc3nc4ccccc4[nH]3)c2N1 ZINC000041121380 174486451 /nfs/dbraw/zinc/48/64/51/174486451.db2.gz VMFUWTPRQAYLNA-UHFFFAOYSA-N 1 2 295.306 1.329 40 0 CDABLO O=C1CNc2[nH+]cnc(NCc3nc4ccccc4[nH]3)c2N1 ZINC000041121380 174486452 /nfs/dbraw/zinc/48/64/52/174486452.db2.gz VMFUWTPRQAYLNA-UHFFFAOYSA-N 1 2 295.306 1.329 40 0 CDABLO Cn1cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)cn1 ZINC000044890775 175272912 /nfs/dbraw/zinc/27/29/12/175272912.db2.gz MEWBDXCHPHXDBC-CQSZACIVSA-N 1 2 295.346 1.673 40 0 CDABLO CC(C)C[C@@](C)([NH2+]Cc1nnc(C(C)C)o1)C(N)=O ZINC000077317165 177251699 /nfs/dbraw/zinc/25/16/99/177251699.db2.gz FDOJIYURWKKSPQ-CYBMUJFWSA-N 1 2 268.361 1.573 40 0 CDABLO Cc1oncc1C(=O)N1CC[C@@H]2OCC[N@@H+](C(C)C)[C@H]2C1 ZINC000108525119 294063436 /nfs/dbraw/zinc/06/34/36/294063436.db2.gz AFUHQZVTJVAJPE-KBPBESRZSA-N 1 2 293.367 1.307 40 0 CDABLO Cc1oncc1C(=O)N1CC[C@@H]2OCC[N@H+](C(C)C)[C@H]2C1 ZINC000108525119 294063439 /nfs/dbraw/zinc/06/34/39/294063439.db2.gz AFUHQZVTJVAJPE-KBPBESRZSA-N 1 2 293.367 1.307 40 0 CDABLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCc1ccc(F)c(F)c1 ZINC000152169329 323211369 /nfs/dbraw/zinc/21/13/69/323211369.db2.gz DDEATRPCBMNORT-GWCFXTLKSA-N 1 2 285.290 1.116 40 0 CDABLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCc1ccc(F)c(F)c1 ZINC000152169329 323211371 /nfs/dbraw/zinc/21/13/71/323211371.db2.gz DDEATRPCBMNORT-GWCFXTLKSA-N 1 2 285.290 1.116 40 0 CDABLO C[C@@H]1CN(c2[nH+]cnc3c2C[C@H](C)CN3)C[C@@H](C)O1 ZINC000046087827 1166301686 /nfs/dbraw/zinc/30/16/86/1166301686.db2.gz KRYMXFIMZDDADH-HBNTYKKESA-N 1 2 262.357 1.694 40 0 CDABLO C[N@@H+]1C[C@@H](F)[C@@H](OCc2nc3cc[nH]cc-3n2)C1 ZINC000096112120 813737992 /nfs/dbraw/zinc/73/79/92/813737992.db2.gz HSKXDEDFHKJVGG-KCJUWKMLSA-N 1 2 250.277 1.127 40 0 biogenic,in-vitro CDABLO C[N@H+]1C[C@@H](F)[C@@H](OCc2nc3cc[nH]cc-3n2)C1 ZINC000096112120 813738002 /nfs/dbraw/zinc/73/80/02/813738002.db2.gz HSKXDEDFHKJVGG-KCJUWKMLSA-N 1 2 250.277 1.127 40 0 biogenic,in-vitro CDABLO COc1cccc([C@@H]([NH3+])c2nc([C@@H]3CCCO3)n[nH]2)c1 ZINC000095533595 185007272 /nfs/dbraw/zinc/00/72/72/185007272.db2.gz NOBHMLUMYPDDEK-NWDGAFQWSA-N 1 2 274.324 1.713 40 0 CDABLO COC[C@H]1CN(Cc2cc(C)on2)Cc2[nH+]cn(C)c21 ZINC000096068610 185084985 /nfs/dbraw/zinc/08/49/85/185084985.db2.gz ZEMGBCZMUQHSCX-LLVKDONJSA-N 1 2 276.340 1.462 40 0 CDABLO O=C1NCC[C@]12C[N@@H+](CC1=CCCOC1)CC(F)(F)C2 ZINC000585093302 342210957 /nfs/dbraw/zinc/21/09/57/342210957.db2.gz OIOWBYCHBAKZPZ-ZDUSSCGKSA-N 1 2 286.322 1.180 40 0 CDABLO O=C1NCC[C@]12C[N@H+](CC1=CCCOC1)CC(F)(F)C2 ZINC000585093302 342210958 /nfs/dbraw/zinc/21/09/58/342210958.db2.gz OIOWBYCHBAKZPZ-ZDUSSCGKSA-N 1 2 286.322 1.180 40 0 CDABLO COc1cccc(F)c1C[N@@H+](C)[C@@H]1COC[C@@H](OC)[C@H]1O ZINC000585291156 342258867 /nfs/dbraw/zinc/25/88/67/342258867.db2.gz LSMRQSNCGSBSKI-YUELXQCFSA-N 1 2 299.342 1.041 40 0 CDABLO COc1cccc(F)c1C[N@H+](C)[C@@H]1COC[C@@H](OC)[C@H]1O ZINC000585291156 342258868 /nfs/dbraw/zinc/25/88/68/342258868.db2.gz LSMRQSNCGSBSKI-YUELXQCFSA-N 1 2 299.342 1.041 40 0 CDABLO Cc1c[nH]nc1[C@@H]1CN(c2cc(C)[nH+]cn2)CCO1 ZINC000257315387 362585153 /nfs/dbraw/zinc/58/51/53/362585153.db2.gz VBCRFBJCHIDZPJ-NSHDSACASA-N 1 2 259.313 1.394 40 0 CDABLO CN(C(=O)Cn1cc[nH+]c1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257325744 362587134 /nfs/dbraw/zinc/58/71/34/362587134.db2.gz WUFNXAJBELRPKY-AWEZNQCLSA-N 1 2 299.378 1.406 40 0 CDABLO CN(C(=O)Cn1cc[nH+]c1)[C@H]1CCCN(c2ccccn2)C1 ZINC000257325744 362587135 /nfs/dbraw/zinc/58/71/35/362587135.db2.gz WUFNXAJBELRPKY-AWEZNQCLSA-N 1 2 299.378 1.406 40 0 CDABLO CCN(CC)c1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000079440031 136509768 /nfs/dbraw/zinc/50/97/68/136509768.db2.gz IKLWUYRZOJASRP-LBPRGKRZSA-N 1 2 264.373 1.532 40 0 CDABLO CCN(CC)c1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000079440031 136509769 /nfs/dbraw/zinc/50/97/69/136509769.db2.gz IKLWUYRZOJASRP-LBPRGKRZSA-N 1 2 264.373 1.532 40 0 CDABLO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@@H+]1Cc1cnn(C)c1 ZINC000019287516 356479861 /nfs/dbraw/zinc/47/98/61/356479861.db2.gz RJAPMEGHKWTMQQ-SWLSCSKDSA-N 1 2 269.352 1.780 40 0 CDABLO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@H+]1Cc1cnn(C)c1 ZINC000019287516 356479864 /nfs/dbraw/zinc/47/98/64/356479864.db2.gz RJAPMEGHKWTMQQ-SWLSCSKDSA-N 1 2 269.352 1.780 40 0 CDABLO C[NH+]1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000052537432 357275050 /nfs/dbraw/zinc/27/50/50/357275050.db2.gz UPCLGHNUBNSYKT-UHFFFAOYSA-N 1 2 256.708 1.867 40 0 CDABLO CNC(=O)[C@H]1C[C@@H]2C[N@H+](Cc3ccc(OC)cc3)C[C@H]1O2 ZINC000096252743 358727308 /nfs/dbraw/zinc/72/73/08/358727308.db2.gz URAIKXXCEBWITC-QLFBSQMISA-N 1 2 290.363 1.031 40 0 CDABLO CNC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(OC)cc3)C[C@H]1O2 ZINC000096252743 358727313 /nfs/dbraw/zinc/72/73/13/358727313.db2.gz URAIKXXCEBWITC-QLFBSQMISA-N 1 2 290.363 1.031 40 0 CDABLO C[NH+](C)Cc1nc2c(o1)CN(C(=O)c1ccncc1F)C2 ZINC000096260255 358729648 /nfs/dbraw/zinc/72/96/48/358729648.db2.gz ZFICGIVXSPYQHP-UHFFFAOYSA-N 1 2 290.298 1.426 40 0 CDABLO C[NH+]1CCN(C(=O)CSc2ccc(F)cc2)CC1 ZINC000046463126 359173692 /nfs/dbraw/zinc/17/36/92/359173692.db2.gz AVFFRMLAYXGWIA-UHFFFAOYSA-N 1 2 268.357 1.692 40 0 CDABLO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000023633512 359253474 /nfs/dbraw/zinc/25/34/74/359253474.db2.gz OFEYQVJHAZFCJS-AWEZNQCLSA-N 1 2 279.380 1.882 40 0 in-vivo CDABLO Cc1nnc(C[N@H+](C)C[C@H](O)COCc2ccccc2)o1 ZINC000079311502 374789998 /nfs/dbraw/zinc/78/99/98/374789998.db2.gz QXEZYRBBFGIPFX-AWEZNQCLSA-N 1 2 291.351 1.388 40 0 CDABLO Cc1nnc(C[N@@H+](C)C[C@H](O)COCc2ccccc2)o1 ZINC000079311502 374790001 /nfs/dbraw/zinc/79/00/01/374790001.db2.gz QXEZYRBBFGIPFX-AWEZNQCLSA-N 1 2 291.351 1.388 40 0 CDABLO C[C@@H](C(N)=O)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057370968 375490884 /nfs/dbraw/zinc/49/08/84/375490884.db2.gz JXBLPUHODMGDPS-JTQLQIEISA-N 1 2 267.760 1.336 40 0 CDABLO Cc1ccnc([C@H]2CN(Cc3[nH]cc[nH+]3)CCO2)n1 ZINC000257213809 190013376 /nfs/dbraw/zinc/01/33/76/190013376.db2.gz CJECGWXSVLDTFM-LLVKDONJSA-N 1 2 259.313 1.082 40 0 CDABLO CC(=O)N1CCN(Cc2[nH]cc[nH+]2)C[C@@H]1c1ccccc1 ZINC000257228372 190015981 /nfs/dbraw/zinc/01/59/81/190015981.db2.gz FTODVAYCHDOGBA-OAHLLOKOSA-N 1 2 284.363 1.815 40 0 CDABLO CC(=O)N1CCC[C@@H]1c1ccc(C[NH+]2CCOCC2)cn1 ZINC000257228769 190016126 /nfs/dbraw/zinc/01/61/26/190016126.db2.gz FVDTYIWYNZIWNH-MRXNPFEDSA-N 1 2 289.379 1.597 40 0 CDABLO CCS(=O)(=O)N1CCC[C@H]1c1cc[nH+]c(N(C)C)c1 ZINC000257221724 190014673 /nfs/dbraw/zinc/01/46/73/190014673.db2.gz DQGXHIIPWIVBMN-LBPRGKRZSA-N 1 2 283.397 1.634 40 0 CDABLO CN(C)c1cc([C@H]2CCCN2C(=O)c2ccnn2C)cc[nH+]1 ZINC000257269149 190023654 /nfs/dbraw/zinc/02/36/54/190023654.db2.gz MOTPYZVEVZGWQF-CYBMUJFWSA-N 1 2 299.378 1.858 40 0 CDABLO CCS(=O)(=O)N1CCC[C@@H](c2cc[nH+]c(NC)c2)C1 ZINC000257296309 190028194 /nfs/dbraw/zinc/02/81/94/190028194.db2.gz RCEGYKPDLYQMDK-GFCCVEGCSA-N 1 2 283.397 1.652 40 0 CDABLO Cc1c[nH]c([C@H]2C[N@H+](Cc3cnn(C)c3)CCO2)n1 ZINC000257297258 190029213 /nfs/dbraw/zinc/02/92/13/190029213.db2.gz RGNHTEUSIBMYTL-GFCCVEGCSA-N 1 2 261.329 1.025 40 0 CDABLO Cc1c[nH]c([C@H]2C[N@@H+](Cc3cnn(C)c3)CCO2)n1 ZINC000257297258 190029214 /nfs/dbraw/zinc/02/92/14/190029214.db2.gz RGNHTEUSIBMYTL-GFCCVEGCSA-N 1 2 261.329 1.025 40 0 CDABLO Cc1c[nH]c([C@@H]2C[N@H+](Cc3cnn(C)c3)CCO2)n1 ZINC000257297259 190029251 /nfs/dbraw/zinc/02/92/51/190029251.db2.gz RGNHTEUSIBMYTL-LBPRGKRZSA-N 1 2 261.329 1.025 40 0 CDABLO Cc1c[nH]c([C@@H]2C[N@@H+](Cc3cnn(C)c3)CCO2)n1 ZINC000257297259 190029252 /nfs/dbraw/zinc/02/92/52/190029252.db2.gz RGNHTEUSIBMYTL-LBPRGKRZSA-N 1 2 261.329 1.025 40 0 CDABLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H](c2nccs2)C1 ZINC000257297336 190029723 /nfs/dbraw/zinc/02/97/23/190029723.db2.gz RGVBDBLAHDMTIA-LLVKDONJSA-N 1 2 276.365 1.746 40 0 CDABLO Cc1[nH+]c2ccccn2c1CC(=O)NC[C@@]1(C)CCCO1 ZINC000257320329 190033534 /nfs/dbraw/zinc/03/35/34/190033534.db2.gz VWHBTFLIKGYQNZ-MRXNPFEDSA-N 1 2 287.363 1.871 40 0 CDABLO [NH3+]C1(C(=O)N2CCC[C@@H]2c2ccncn2)CCCC1 ZINC000257326184 190034314 /nfs/dbraw/zinc/03/43/14/190034314.db2.gz WWEGKPYESPEQDP-GFCCVEGCSA-N 1 2 260.341 1.412 40 0 CDABLO O=CN1CCC[C@@H]1c1ccc[nH+]c1N1CCOCC1 ZINC000072216210 390621334 /nfs/dbraw/zinc/62/13/34/390621334.db2.gz QRAYAMHKBKZHBO-CYBMUJFWSA-N 1 2 261.325 1.212 40 0 CDABLO Cc1cn[nH]c1[C@H]1CCCN1c1cc(C)[nH+]c(N)n1 ZINC000072388629 390935119 /nfs/dbraw/zinc/93/51/19/390935119.db2.gz SOJONISSYDIRIA-SNVBAGLBSA-N 1 2 258.329 1.740 40 0 CDABLO O=C(NCCCn1cc[nH+]c1)c1cnc2ccccc2c1O ZINC000022234009 171380235 /nfs/dbraw/zinc/38/02/35/171380235.db2.gz QSXBZFPZZXFAKI-UHFFFAOYSA-N 1 2 296.330 1.545 40 0 CDABLO O=C(NCCCn1cc[nH+]c1)c1c[nH]c2ccccc2c1=O ZINC000022234009 171380237 /nfs/dbraw/zinc/38/02/37/171380237.db2.gz QSXBZFPZZXFAKI-UHFFFAOYSA-N 1 2 296.330 1.545 40 0 CDABLO O=C(NC[C@H]1CCCO1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038849107 174157919 /nfs/dbraw/zinc/15/79/19/174157919.db2.gz VJORELNWZBHDDC-OAHLLOKOSA-N 1 2 285.347 1.840 40 0 CDABLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000040477855 174283390 /nfs/dbraw/zinc/28/33/90/174283390.db2.gz HHWLRJLWTKOKPH-OAHLLOKOSA-N 1 2 284.363 1.712 40 0 CDABLO NC(=O)[C@H]1CCCC[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000040477855 174283392 /nfs/dbraw/zinc/28/33/92/174283392.db2.gz HHWLRJLWTKOKPH-OAHLLOKOSA-N 1 2 284.363 1.712 40 0 CDABLO CNC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000072366136 176380919 /nfs/dbraw/zinc/38/09/19/176380919.db2.gz MYLUZXCWYKFRKB-ZDUSSCGKSA-N 1 2 285.351 1.501 40 0 CDABLO CNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+]1Cc1cccnc1 ZINC000072366136 176380920 /nfs/dbraw/zinc/38/09/20/176380920.db2.gz MYLUZXCWYKFRKB-ZDUSSCGKSA-N 1 2 285.351 1.501 40 0 CDABLO C[NH+]1CCN(NC(=O)[C@]23CC[C@](C)(C(=O)C2)C3(C)C)CC1 ZINC000001462931 290048674 /nfs/dbraw/zinc/04/86/74/290048674.db2.gz JHRSBSSDRZZTTF-CVEARBPZSA-N 1 2 293.411 1.051 40 0 CDABLO C[C@@H]1CN(c2nc[nH+]c3c2C[C@H](C)CN3)C[C@@H](C)O1 ZINC000046087827 1166301679 /nfs/dbraw/zinc/30/16/79/1166301679.db2.gz KRYMXFIMZDDADH-HBNTYKKESA-N 1 2 262.357 1.694 40 0 CDABLO COc1ccc([C@@H]([NH3+])c2n[nH]c(-c3ccncc3)n2)cc1 ZINC000095533645 185006923 /nfs/dbraw/zinc/00/69/23/185006923.db2.gz WOCFFQJLLDZEST-CYBMUJFWSA-N 1 2 281.319 1.923 40 0 CDABLO Cn1c[nH+]c2c1C[C@@H](CO)N(C(=O)C1=CCCCC1)C2 ZINC000585094978 342211361 /nfs/dbraw/zinc/21/13/61/342211361.db2.gz YAFCNLDMDFBXHE-LBPRGKRZSA-N 1 2 275.352 1.166 40 0 CDABLO Cc1cccc(C[N@@H+]2Cc3ccnn3CC[C@@H]2CO)n1 ZINC000585098400 342212028 /nfs/dbraw/zinc/21/20/28/342212028.db2.gz XMQVMGGHGIPGJK-OAHLLOKOSA-N 1 2 272.352 1.353 40 0 CDABLO Cc1cccc(C[N@H+]2Cc3ccnn3CC[C@@H]2CO)n1 ZINC000585098400 342212029 /nfs/dbraw/zinc/21/20/29/342212029.db2.gz XMQVMGGHGIPGJK-OAHLLOKOSA-N 1 2 272.352 1.353 40 0 CDABLO CNc1cccc([C@H]2CN(c3cc[nH+]c(C)n3)CCO2)n1 ZINC000257252579 362581158 /nfs/dbraw/zinc/58/11/58/362581158.db2.gz JVGOXCSQEGHVJT-CYBMUJFWSA-N 1 2 285.351 1.800 40 0 CDABLO CCc1cc2c(ncnc2NCC[NH+]2CCOCC2)s1 ZINC000019202715 356476407 /nfs/dbraw/zinc/47/64/07/356476407.db2.gz MRNUFVXOEFYJAF-UHFFFAOYSA-N 1 2 292.408 1.998 40 0 CDABLO CN1C[C@H]2C[N@H+](Cc3ccc(F)cc3)CCN2C1=O ZINC000077266743 283249124 /nfs/dbraw/zinc/24/91/24/283249124.db2.gz WILMULALURBDKQ-ZDUSSCGKSA-N 1 2 263.316 1.377 40 0 biogenic,in-vitro CDABLO CN1C[C@H]2C[N@@H+](Cc3ccc(F)cc3)CCN2C1=O ZINC000077266743 283249127 /nfs/dbraw/zinc/24/91/27/283249127.db2.gz WILMULALURBDKQ-ZDUSSCGKSA-N 1 2 263.316 1.377 40 0 biogenic,in-vitro CDABLO CN(C)c1cc(N2CCC(C)(c3cc[nH]n3)CC2)nc[nH+]1 ZINC000072388922 357832223 /nfs/dbraw/zinc/83/22/23/357832223.db2.gz UWVIJNHJFARYCY-UHFFFAOYSA-N 1 2 286.383 1.824 40 0 CDABLO CN(C)c1cc(N2CCC(C)(c3cc[nH]n3)CC2)[nH+]cn1 ZINC000072388922 357832226 /nfs/dbraw/zinc/83/22/26/357832226.db2.gz UWVIJNHJFARYCY-UHFFFAOYSA-N 1 2 286.383 1.824 40 0 CDABLO C[C@H]1c2[nH+]cc(Cn3cccn3)n2CCN1[C@@H]1CCOC1 ZINC000096201267 358718098 /nfs/dbraw/zinc/71/80/98/358718098.db2.gz IMAYFHAHRVZQKQ-QWHCGFSZSA-N 1 2 287.367 1.293 40 0 CDABLO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000098175216 358815464 /nfs/dbraw/zinc/81/54/64/358815464.db2.gz LWFPHOAFMVSKJZ-AWEZNQCLSA-N 1 2 291.347 1.649 40 0 CDABLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000098175216 358815465 /nfs/dbraw/zinc/81/54/65/358815465.db2.gz LWFPHOAFMVSKJZ-AWEZNQCLSA-N 1 2 291.347 1.649 40 0 CDABLO COCC[N@H+](Cc1cccc(Cl)n1)[C@@H](C)C(N)=O ZINC000075717711 359974706 /nfs/dbraw/zinc/97/47/06/359974706.db2.gz GOZPPGKSYQENBW-VIFPVBQESA-N 1 2 271.748 1.057 40 0 CDABLO COCC[N@@H+](Cc1cccc(Cl)n1)[C@@H](C)C(N)=O ZINC000075717711 359974711 /nfs/dbraw/zinc/97/47/11/359974711.db2.gz GOZPPGKSYQENBW-VIFPVBQESA-N 1 2 271.748 1.057 40 0 CDABLO C[C@]1(C(N)=O)C[N@H+](Cc2ccc(F)c(F)c2)CCO1 ZINC000072379683 291376729 /nfs/dbraw/zinc/37/67/29/291376729.db2.gz QTHSXDHFQPKDFE-CYBMUJFWSA-N 1 2 270.279 1.041 40 0 CDABLO C[C@]1(C(N)=O)C[N@@H+](Cc2ccc(F)c(F)c2)CCO1 ZINC000072379683 291376731 /nfs/dbraw/zinc/37/67/31/291376731.db2.gz QTHSXDHFQPKDFE-CYBMUJFWSA-N 1 2 270.279 1.041 40 0 CDABLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccco1)C2 ZINC000225517091 374647843 /nfs/dbraw/zinc/64/78/43/374647843.db2.gz MMNDKFPCQKQWHE-JTQLQIEISA-N 1 2 259.309 1.732 40 0 CDABLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccco1)CC2 ZINC000225517091 374647849 /nfs/dbraw/zinc/64/78/49/374647849.db2.gz MMNDKFPCQKQWHE-JTQLQIEISA-N 1 2 259.309 1.732 40 0 CDABLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H]1CCCO1)C2 ZINC000225516806 374648637 /nfs/dbraw/zinc/64/86/37/374648637.db2.gz ZWSDWXVUDPAPAN-QWRGUYRKSA-N 1 2 263.341 1.118 40 0 CDABLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1CCCO1)CC2 ZINC000225516806 374648641 /nfs/dbraw/zinc/64/86/41/374648641.db2.gz ZWSDWXVUDPAPAN-QWRGUYRKSA-N 1 2 263.341 1.118 40 0 CDABLO Cc1cc[nH+]cc1N1CCN(C(=O)C2CCC2)CC1 ZINC000225599106 375169644 /nfs/dbraw/zinc/16/96/44/375169644.db2.gz IUIYZORCGLPSAQ-UHFFFAOYSA-N 1 2 259.353 1.839 40 0 CDABLO Cc1cnn(C)c1C[NH2+]Cc1ccn(CC(F)(F)F)n1 ZINC000256049736 190002819 /nfs/dbraw/zinc/00/28/19/190002819.db2.gz BEUPYMXUKHWCLK-UHFFFAOYSA-N 1 2 287.289 1.777 40 0 CDABLO Cc1cc(C)cc(OC[C@H]2C[N@H+](CCO)CCO2)c1 ZINC000217493227 375658779 /nfs/dbraw/zinc/65/87/79/375658779.db2.gz IFLOAJPPFWUCED-OAHLLOKOSA-N 1 2 265.353 1.375 40 0 CDABLO Cc1cc(C)cc(OC[C@H]2C[N@@H+](CCO)CCO2)c1 ZINC000217493227 375658783 /nfs/dbraw/zinc/65/87/83/375658783.db2.gz IFLOAJPPFWUCED-OAHLLOKOSA-N 1 2 265.353 1.375 40 0 CDABLO Cc1nccnc1CC[C@H]1COCCN1Cc1[nH]cc[nH+]1 ZINC000257216940 190013762 /nfs/dbraw/zinc/01/37/62/190013762.db2.gz CWTQVYPULYUWOV-ZDUSSCGKSA-N 1 2 287.367 1.342 40 0 CDABLO COc1nnc(OC)c(N2CCC[C@@H]2c2[nH]cc(C)[nH+]2)n1 ZINC000257264549 190023545 /nfs/dbraw/zinc/02/35/45/190023545.db2.gz LUYUMMHFHTZFDI-SECBINFHSA-N 1 2 290.327 1.262 40 0 CDABLO CO[C@H](C)CN(C)C(=O)Cc1c(C)[nH+]c2ccccn21 ZINC000257274734 190025062 /nfs/dbraw/zinc/02/50/62/190025062.db2.gz NMJYURCRVUNFFN-LLVKDONJSA-N 1 2 275.352 1.679 40 0 CDABLO O=C(CCn1cc[nH+]c1)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000257304999 190030772 /nfs/dbraw/zinc/03/07/72/190030772.db2.gz SNZVPAXJHMRZEY-CYBMUJFWSA-N 1 2 273.340 1.750 40 0 CDABLO Cc1noc(C[NH2+]Cc2cc3cccc4c3n(c2=O)CC4)n1 ZINC000072206570 390615140 /nfs/dbraw/zinc/61/51/40/390615140.db2.gz IHYJBXAJCUYLNZ-UHFFFAOYSA-N 1 2 296.330 1.539 40 0 CDABLO CC(=O)NCc1ccc([C@@H]2CCCN2Cc2[nH]cc[nH+]2)nc1 ZINC000257322005 391649759 /nfs/dbraw/zinc/64/97/59/391649759.db2.gz WEGIKVBZOOLNRV-HNNXBMFYSA-N 1 2 299.378 1.778 40 0 CDABLO CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2Cc2ncc[nH]2)nc1 ZINC000257322005 391649764 /nfs/dbraw/zinc/64/97/64/391649764.db2.gz WEGIKVBZOOLNRV-HNNXBMFYSA-N 1 2 299.378 1.778 40 0 CDABLO CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2Cc2ncc[nH]2)nc1 ZINC000257322005 391649769 /nfs/dbraw/zinc/64/97/69/391649769.db2.gz WEGIKVBZOOLNRV-HNNXBMFYSA-N 1 2 299.378 1.778 40 0 CDABLO CCOC(=O)CCCCC[NH+]1CCS(=O)CC1 ZINC000071293189 176111347 /nfs/dbraw/zinc/11/13/47/176111347.db2.gz IPAAPNROVXUFAW-UHFFFAOYSA-N 1 2 261.387 1.174 40 0 CDABLO COc1cccc(C[N@@H+]2CCCC[C@H]2C(N)=O)c1OC ZINC000162048609 295297260 /nfs/dbraw/zinc/29/72/60/295297260.db2.gz JBHPOWVNFKLXJH-LBPRGKRZSA-N 1 2 278.352 1.544 40 0 CDABLO COc1cccc(C[N@H+]2CCCC[C@H]2C(N)=O)c1OC ZINC000162048609 295297263 /nfs/dbraw/zinc/29/72/63/295297263.db2.gz JBHPOWVNFKLXJH-LBPRGKRZSA-N 1 2 278.352 1.544 40 0 CDABLO CC[N@H+](CCO)CC(=O)c1cc(Cl)ccc1OC ZINC000001593667 341986088 /nfs/dbraw/zinc/98/60/88/341986088.db2.gz QHNLVEILWCPEOG-UHFFFAOYSA-N 1 2 271.744 1.846 40 0 CDABLO CC[N@@H+](CCO)CC(=O)c1cc(Cl)ccc1OC ZINC000001593667 341986089 /nfs/dbraw/zinc/98/60/89/341986089.db2.gz QHNLVEILWCPEOG-UHFFFAOYSA-N 1 2 271.744 1.846 40 0 CDABLO Cc1ccc([C@@H]([NH3+])c2nnc(Cn3cccn3)[nH]2)cc1 ZINC000095534125 185007102 /nfs/dbraw/zinc/00/71/02/185007102.db2.gz TXDKDFXUIFOKKJ-CYBMUJFWSA-N 1 2 268.324 1.406 40 0 CDABLO CCOC[C@@H]1C[N@H+](Cc2ccncc2)Cc2nn(C)cc21 ZINC000096060392 185081526 /nfs/dbraw/zinc/08/15/26/185081526.db2.gz UILNRAJZIFLCPT-AWEZNQCLSA-N 1 2 286.379 1.951 40 0 CDABLO CCOC[C@@H]1C[N@@H+](Cc2ccncc2)Cc2nn(C)cc21 ZINC000096060392 185081527 /nfs/dbraw/zinc/08/15/27/185081527.db2.gz UILNRAJZIFLCPT-AWEZNQCLSA-N 1 2 286.379 1.951 40 0 CDABLO Cc1ccc(CN2Cc3[nH+]cn(C)c3C[C@H]2CO)o1 ZINC000585094676 342211189 /nfs/dbraw/zinc/21/11/89/342211189.db2.gz GTXGBQMXXZPHIT-NSHDSACASA-N 1 2 261.325 1.241 40 0 CDABLO CS(=O)(=O)N1CCC[C@H]1c1cccc2[nH+]ccn21 ZINC000585178911 342232422 /nfs/dbraw/zinc/23/24/22/342232422.db2.gz NGMWWGBFULUHQB-NSHDSACASA-N 1 2 265.338 1.431 40 0 CDABLO C[C@@H]1CCC[C@H](OCC(=O)NCc2[nH+]ccn2C)C1 ZINC000079034455 363355054 /nfs/dbraw/zinc/35/50/54/363355054.db2.gz KCNPVBIVJRIWMU-NEPJUHHUSA-N 1 2 265.357 1.632 40 0 CDABLO CCOC(=O)[C@H]([NH3+])[C@@H](C(=O)OCC)c1ccccc1 ZINC000019203241 356476562 /nfs/dbraw/zinc/47/65/62/356476562.db2.gz QWIQBXQJIIQFIB-NWDGAFQWSA-N 1 2 265.309 1.224 40 0 CDABLO Cc1[nH]n(-c2ccccc2)c(=O)c1CN1CC[NH+](C)CC1 ZINC000022942620 356625404 /nfs/dbraw/zinc/62/54/04/356625404.db2.gz XCZZITIESSDHNJ-UHFFFAOYSA-N 1 2 286.379 1.634 40 0 CDABLO COc1cc2c(cc1O)[C@H](O)C[N@H+](CCC(C)=O)C2 ZINC000031689618 356768508 /nfs/dbraw/zinc/76/85/08/356768508.db2.gz QKCWQYGJZCHFDB-CYBMUJFWSA-N 1 2 265.309 1.229 40 0 CDABLO COc1cc2c(cc1O)[C@H](O)C[N@@H+](CCC(C)=O)C2 ZINC000031689618 356768511 /nfs/dbraw/zinc/76/85/11/356768511.db2.gz QKCWQYGJZCHFDB-CYBMUJFWSA-N 1 2 265.309 1.229 40 0 CDABLO CC(=O)NCC[C@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000072369029 357831225 /nfs/dbraw/zinc/83/12/25/357831225.db2.gz BENXAGIOOFVZGL-CYBMUJFWSA-N 1 2 262.357 1.528 40 0 CDABLO O=C(NCc1cnc2n1CCN(c1cccc[nH+]1)C2)C1CC1 ZINC000096201178 358718544 /nfs/dbraw/zinc/71/85/44/358718544.db2.gz UWXLDLXECWXDJQ-UHFFFAOYSA-N 1 2 297.362 1.325 40 0 CDABLO CCc1nsc(N2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000076061294 366963763 /nfs/dbraw/zinc/96/37/63/366963763.db2.gz YDLZXGUJNOENIB-UHFFFAOYSA-N 1 2 289.408 1.818 40 0 CDABLO Cc1cc(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)sn1 ZINC000225511553 374626998 /nfs/dbraw/zinc/62/69/98/374626998.db2.gz KYKPFMLTGXOMFE-QMMMGPOBSA-N 1 2 262.338 1.918 40 0 CDABLO Cc1cc(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)sn1 ZINC000225511553 374627004 /nfs/dbraw/zinc/62/70/04/374627004.db2.gz KYKPFMLTGXOMFE-QMMMGPOBSA-N 1 2 262.338 1.918 40 0 CDABLO CC(C)n1cc(C[NH2+]Cc2ccn(CCF)n2)cn1 ZINC000256052494 190004160 /nfs/dbraw/zinc/00/41/60/190004160.db2.gz NNIICQXFFDACLO-UHFFFAOYSA-N 1 2 265.336 1.920 40 0 CDABLO Cc1c[nH]c([C@H]2COCCN2CC2(O)CCCCC2)[nH+]1 ZINC000257243902 190018429 /nfs/dbraw/zinc/01/84/29/190018429.db2.gz IJAXPQXQKXXTCW-CYBMUJFWSA-N 1 2 279.384 1.787 40 0 CDABLO Cc1[nH+]c[nH]c1CN1CCO[C@@H](c2ccnc(C)n2)C1 ZINC000257279260 190025191 /nfs/dbraw/zinc/02/51/91/190025191.db2.gz OFULIZOCDOEFKT-CQSZACIVSA-N 1 2 273.340 1.390 40 0 CDABLO Cc1c[nH]c([C@H]2CN(Cc3[nH+]ccn3C)CCO2)n1 ZINC000257281397 190025984 /nfs/dbraw/zinc/02/59/84/190025984.db2.gz OOZDBRFFVDUQQL-LLVKDONJSA-N 1 2 261.329 1.025 40 0 CDABLO Cn1cc(C[N@@H+]2CCO[C@@H](Cc3cccnc3)C2)cn1 ZINC000257287897 190026983 /nfs/dbraw/zinc/02/69/83/190026983.db2.gz PRXRHBYYHJGLMU-HNNXBMFYSA-N 1 2 272.352 1.259 40 0 CDABLO Cn1cc(C[N@H+]2CCO[C@@H](Cc3cccnc3)C2)cn1 ZINC000257287897 190026984 /nfs/dbraw/zinc/02/69/84/190026984.db2.gz PRXRHBYYHJGLMU-HNNXBMFYSA-N 1 2 272.352 1.259 40 0 CDABLO Cc1[nH+]c2ccccn2c1CC(=O)Nc1ccon1 ZINC000257274228 190024740 /nfs/dbraw/zinc/02/47/40/190024740.db2.gz NKCAKFRPJAGUCX-UHFFFAOYSA-N 1 2 256.265 1.812 40 0 CDABLO CNC(=O)[C@@H]1CN(Cc2ccc(F)cc2F)CC[N@H+](C)C1 ZINC000257325250 190034028 /nfs/dbraw/zinc/03/40/28/190034028.db2.gz WSCGFQZXOHEEEC-LBPRGKRZSA-N 1 2 297.349 1.074 40 0 CDABLO CNC(=O)[C@@H]1CN(Cc2ccc(F)cc2F)CC[N@@H+](C)C1 ZINC000257325250 190034029 /nfs/dbraw/zinc/03/40/29/190034029.db2.gz WSCGFQZXOHEEEC-LBPRGKRZSA-N 1 2 297.349 1.074 40 0 CDABLO CC[C@@H](C(N)=O)[NH+]1CCN(c2cnccc2C)CC1 ZINC000330532683 376249438 /nfs/dbraw/zinc/24/94/38/376249438.db2.gz TVLQXHHHBMTEPA-LBPRGKRZSA-N 1 2 262.357 1.826 40 0 CDABLO NNC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000075629373 377033904 /nfs/dbraw/zinc/03/39/04/377033904.db2.gz LIEBVGZSDJOXOZ-UHFFFAOYSA-N 1 2 253.349 1.924 40 0 CDABLO CN(Cc1cccs1)c1nc[nH+]c2c1NC(=O)CN2 ZINC000041121600 379333668 /nfs/dbraw/zinc/33/36/68/379333668.db2.gz ZTIZKXNLPOWVGN-UHFFFAOYSA-N 1 2 275.337 1.539 40 0 CDABLO CN(Cc1cccs1)c1[nH+]cnc2c1NC(=O)CN2 ZINC000041121600 379333674 /nfs/dbraw/zinc/33/36/74/379333674.db2.gz ZTIZKXNLPOWVGN-UHFFFAOYSA-N 1 2 275.337 1.539 40 0 CDABLO COc1cccc(OC)c1C(=O)NCCCn1cc[nH+]c1 ZINC000005580880 533622657 /nfs/dbraw/zinc/62/26/57/533622657.db2.gz ULUCEYNQRCSLIK-UHFFFAOYSA-N 1 2 289.335 1.720 40 0 CDABLO OCC[NH+](CCO)Cc1nc2cc(Cl)ccc2[nH]1 ZINC000004714955 170004343 /nfs/dbraw/zinc/00/43/43/170004343.db2.gz NAQNKLAIBFDHNB-UHFFFAOYSA-N 1 2 269.732 1.003 40 0 CDABLO OCC[NH+](CCO)Cc1nc2ccc(Cl)cc2[nH]1 ZINC000004714955 170004345 /nfs/dbraw/zinc/00/43/45/170004345.db2.gz NAQNKLAIBFDHNB-UHFFFAOYSA-N 1 2 269.732 1.003 40 0 CDABLO Cc1cc2[nH+]cn([C@H]3C[C@@H](O)[C@H](CO)O3)c2cc1C ZINC000004824021 170023748 /nfs/dbraw/zinc/02/37/48/170023748.db2.gz HJTIINUBIAXTGQ-HZSPNIEDSA-N 1 2 262.309 1.294 40 0 CDABLO CCn1nccc1C[NH2+]Cc1cc(C(F)(F)F)n(C)n1 ZINC000020349940 171155576 /nfs/dbraw/zinc/15/55/76/171155576.db2.gz WACIELDGQQNCHD-UHFFFAOYSA-N 1 2 287.289 1.945 40 0 CDABLO COC(=O)[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1)C(C)C ZINC000035346582 172138657 /nfs/dbraw/zinc/13/86/57/172138657.db2.gz HUKPCCNVJOCHEH-AWEZNQCLSA-N 1 2 281.352 1.991 40 0 CDABLO Cc1c[nH]nc1[C@]1(C)CCC[N@@H+](Cc2noc(C)n2)C1 ZINC000072388747 176393859 /nfs/dbraw/zinc/39/38/59/176393859.db2.gz YGDGZOVCWQGIDN-CQSZACIVSA-N 1 2 275.356 1.963 40 0 CDABLO Cc1c[nH]nc1[C@]1(C)CCC[N@H+](Cc2noc(C)n2)C1 ZINC000072388747 176393860 /nfs/dbraw/zinc/39/38/60/176393860.db2.gz YGDGZOVCWQGIDN-CQSZACIVSA-N 1 2 275.356 1.963 40 0 CDABLO C[C@@H](C[C@@H]1Nc2ccccc2C[NH2+]1)n1[nH]c(=O)ccc1=O ZINC000409202480 261148409 /nfs/dbraw/zinc/14/84/09/261148409.db2.gz SUEAHWBBGNSXPD-GWCFXTLKSA-N 1 2 286.335 1.441 40 0 CDABLO CN(C)C(=O)[C@@H]1C[C@@H]2CC[N@H+](Cc3nccs3)C[C@H]2O1 ZINC000096042906 185070819 /nfs/dbraw/zinc/07/08/19/185070819.db2.gz DMKCAYFXAMYEOR-SDDRHHMPSA-N 1 2 295.408 1.211 40 0 CDABLO CN(C)C(=O)[C@@H]1C[C@@H]2CC[N@@H+](Cc3nccs3)C[C@H]2O1 ZINC000096042906 185070820 /nfs/dbraw/zinc/07/08/20/185070820.db2.gz DMKCAYFXAMYEOR-SDDRHHMPSA-N 1 2 295.408 1.211 40 0 CDABLO O=C1CCC[C@@]2(CCC[N@H+](Cc3nccs3)C2)N1 ZINC000096049938 185074756 /nfs/dbraw/zinc/07/47/56/185074756.db2.gz HZTJGHUZVVGXDM-ZDUSSCGKSA-N 1 2 265.382 1.778 40 0 CDABLO O=C1CCC[C@@]2(CCC[N@@H+](Cc3nccs3)C2)N1 ZINC000096049938 185074757 /nfs/dbraw/zinc/07/47/57/185074757.db2.gz HZTJGHUZVVGXDM-ZDUSSCGKSA-N 1 2 265.382 1.778 40 0 CDABLO CC(=O)NCc1noc2c1C[N@H+](Cc1ccsc1)CC2 ZINC000096084835 185092627 /nfs/dbraw/zinc/09/26/27/185092627.db2.gz ANEOJDALBBZHEC-UHFFFAOYSA-N 1 2 291.376 1.931 40 0 CDABLO CC(=O)NCc1noc2c1C[N@@H+](Cc1ccsc1)CC2 ZINC000096084835 185092628 /nfs/dbraw/zinc/09/26/28/185092628.db2.gz ANEOJDALBBZHEC-UHFFFAOYSA-N 1 2 291.376 1.931 40 0 CDABLO Cc1cc(C[N@@H+]2C[C@@]3(CCNC3=O)CC(F)(F)C2)[nH]n1 ZINC000585093339 342211123 /nfs/dbraw/zinc/21/11/23/342211123.db2.gz QGAFTQMJSGPILO-GFCCVEGCSA-N 1 2 284.310 1.065 40 0 CDABLO Cc1cc(C[N@H+]2C[C@@]3(CCNC3=O)CC(F)(F)C2)[nH]n1 ZINC000585093339 342211124 /nfs/dbraw/zinc/21/11/24/342211124.db2.gz QGAFTQMJSGPILO-GFCCVEGCSA-N 1 2 284.310 1.065 40 0 CDABLO CC(C)n1cc(CN2Cc3[nH+]cn(C)c3C[C@@H]2CO)cn1 ZINC000585094795 342211418 /nfs/dbraw/zinc/21/14/18/342211418.db2.gz NCRWUODKDPRDEO-CYBMUJFWSA-N 1 2 289.383 1.117 40 0 CDABLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1cncs1 ZINC000585182301 342232654 /nfs/dbraw/zinc/23/26/54/342232654.db2.gz FXJWGCLSKPVDPE-LLVKDONJSA-N 1 2 288.376 1.937 40 0 CDABLO CO[C@@H]1CSC2(C[NH+](Cc3nccs3)C2)C1 ZINC000247906492 362138040 /nfs/dbraw/zinc/13/80/40/362138040.db2.gz XCNVNSUNFJNRKV-VIFPVBQESA-N 1 2 256.396 1.849 40 0 CDABLO Cc1n[nH]cc1C[N@@H+]1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000333881413 363203460 /nfs/dbraw/zinc/20/34/60/363203460.db2.gz UPGFBZUBTTXDFU-HNNXBMFYSA-N 1 2 290.411 1.989 40 0 CDABLO Cc1n[nH]cc1C[N@H+]1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000333881413 363203463 /nfs/dbraw/zinc/20/34/63/363203463.db2.gz UPGFBZUBTTXDFU-HNNXBMFYSA-N 1 2 290.411 1.989 40 0 CDABLO Cc1c(CCO)sc(=S)n1Cc1c[nH+]c(C)nc1N ZINC000001603723 355940912 /nfs/dbraw/zinc/94/09/12/355940912.db2.gz SQOCQQPFEFRKBV-UHFFFAOYSA-N 1 2 296.421 1.851 40 0 in-vitro CDABLO NC(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000015452131 356417478 /nfs/dbraw/zinc/41/74/78/356417478.db2.gz CGLCEBXNORPADT-JTQLQIEISA-N 1 2 261.350 1.919 40 0 CDABLO NC(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000015452131 356417481 /nfs/dbraw/zinc/41/74/81/356417481.db2.gz CGLCEBXNORPADT-JTQLQIEISA-N 1 2 261.350 1.919 40 0 CDABLO Cc1[nH]c2ccc(NC(=O)CCCn3cncn3)cc2[nH+]1 ZINC000019576749 356492258 /nfs/dbraw/zinc/49/22/58/356492258.db2.gz RUYGQNWROGSVNI-UHFFFAOYSA-N 1 2 284.323 1.882 40 0 CDABLO CCOC(=O)[C@H]1C[N@H+](C)C[C@H](c2ccccc2)C1=O ZINC000095080488 358675820 /nfs/dbraw/zinc/67/58/20/358675820.db2.gz QEOPBMMDULTMSH-OLZOCXBDSA-N 1 2 261.321 1.464 40 0 CDABLO CCOC(=O)[C@H]1C[N@@H+](C)C[C@H](c2ccccc2)C1=O ZINC000095080488 358675821 /nfs/dbraw/zinc/67/58/21/358675821.db2.gz QEOPBMMDULTMSH-OLZOCXBDSA-N 1 2 261.321 1.464 40 0 CDABLO Nc1nc(N)c2c([nH+]1)NC(=O)C[C@H]2c1ccccc1 ZINC000005545014 283686415 /nfs/dbraw/zinc/68/64/15/283686415.db2.gz QWOHCPLLOYAPOS-QMMMGPOBSA-N 1 2 255.281 1.115 40 0 CDABLO CN(CCn1cccn1)c1nc[nH+]c(N)c1Cl ZINC000225478970 374483723 /nfs/dbraw/zinc/48/37/23/374483723.db2.gz QKJCDYPDLQUTCJ-UHFFFAOYSA-N 1 2 252.709 1.045 40 0 CDABLO CN(CCn1cccn1)c1[nH+]cnc(N)c1Cl ZINC000225478970 374483729 /nfs/dbraw/zinc/48/37/29/374483729.db2.gz QKJCDYPDLQUTCJ-UHFFFAOYSA-N 1 2 252.709 1.045 40 0 CDABLO O=C(NCc1cccnc1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000225509491 374580555 /nfs/dbraw/zinc/58/05/55/374580555.db2.gz JGCPJNDGDXFHSB-NSHDSACASA-N 1 2 256.309 1.226 40 0 CDABLO O=C(NCc1cccnc1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000225509491 374580561 /nfs/dbraw/zinc/58/05/61/374580561.db2.gz JGCPJNDGDXFHSB-NSHDSACASA-N 1 2 256.309 1.226 40 0 CDABLO CNc1cc([C@@H]2CCCN2C(=O)c2cnn(C)c2)cc[nH+]1 ZINC000257211646 190012505 /nfs/dbraw/zinc/01/25/05/190012505.db2.gz BZRULNWVAHKTHA-ZDUSSCGKSA-N 1 2 285.351 1.834 40 0 CDABLO CC(=O)N1CCC[C@H]1c1cccc(C[NH+]2CCOCC2)n1 ZINC000257227719 190015343 /nfs/dbraw/zinc/01/53/43/190015343.db2.gz FQPQVGZOMLJQJF-INIZCTEOSA-N 1 2 289.379 1.597 40 0 CDABLO CNc1cc([C@H]2CCCN2S(=O)(=O)N(C)C)cc[nH+]1 ZINC000257244067 190019219 /nfs/dbraw/zinc/01/92/19/190019219.db2.gz IJSIYCHIEWDIAK-LLVKDONJSA-N 1 2 284.385 1.067 40 0 CDABLO COc1ccc([C@@H]2C[N@H+](Cc3cnccn3)CCN2C)cc1 ZINC000257268355 190023686 /nfs/dbraw/zinc/02/36/86/190023686.db2.gz MLIVEAMDHARKLS-KRWDZBQOSA-N 1 2 298.390 1.974 40 0 CDABLO COc1ccc([C@@H]2C[N@@H+](Cc3cnccn3)CCN2C)cc1 ZINC000257268355 190023687 /nfs/dbraw/zinc/02/36/87/190023687.db2.gz MLIVEAMDHARKLS-KRWDZBQOSA-N 1 2 298.390 1.974 40 0 CDABLO CN(C)c1cccc([C@@H]2CN(Cc3c[nH+]c[nH]3)CCO2)n1 ZINC000257312488 190032266 /nfs/dbraw/zinc/03/22/66/190032266.db2.gz UOEALVGICJARKB-AWEZNQCLSA-N 1 2 287.367 1.444 40 0 CDABLO CN(C)c1cccc([C@@H]2CN(Cc3c[nH]c[nH+]3)CCO2)n1 ZINC000257312488 190032267 /nfs/dbraw/zinc/03/22/67/190032267.db2.gz UOEALVGICJARKB-AWEZNQCLSA-N 1 2 287.367 1.444 40 0 CDABLO Cc1cncc([C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)n1 ZINC000257332985 190035489 /nfs/dbraw/zinc/03/54/89/190035489.db2.gz XZNZYVJBFYGIKR-LBPRGKRZSA-N 1 2 257.341 1.888 40 0 CDABLO Cc1cncc([C@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)n1 ZINC000257332985 190035490 /nfs/dbraw/zinc/03/54/90/190035490.db2.gz XZNZYVJBFYGIKR-LBPRGKRZSA-N 1 2 257.341 1.888 40 0 CDABLO O=C1N(CC2CC2)CC12CCN(c1cccc[nH+]1)CC2 ZINC000096070949 398069730 /nfs/dbraw/zinc/06/97/30/398069730.db2.gz ZTHSRRJMXPXZMJ-UHFFFAOYSA-N 1 2 271.364 1.920 40 0 CDABLO C[C@@H](c1ccccc1)[N@H+](C)[C@H]1CS(=O)(=O)[C@H]1C ZINC000045027713 175293456 /nfs/dbraw/zinc/29/34/56/175293456.db2.gz CZIHGSQIHZLMGD-GVXVVHGQSA-N 1 2 253.367 1.865 40 0 CDABLO C[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CS(=O)(=O)[C@H]1C ZINC000045027713 175293458 /nfs/dbraw/zinc/29/34/58/175293458.db2.gz CZIHGSQIHZLMGD-GVXVVHGQSA-N 1 2 253.367 1.865 40 0 CDABLO CCN1CNC(Nc2nc3ccccc3s2)=[NH+]C1 ZINC000019330761 276238278 /nfs/dbraw/zinc/23/82/78/276238278.db2.gz PGROXCKXOOOUKO-UHFFFAOYSA-N 1 2 261.354 1.904 40 0 CDABLO CN1CCN(C(=O)N2CCCC2)Cc2ccc[nH+]c21 ZINC000096060924 290013933 /nfs/dbraw/zinc/01/39/33/290013933.db2.gz QFUPOWZRWWFJQV-UHFFFAOYSA-N 1 2 260.341 1.549 40 0 CDABLO Cc1c[nH]c([C@@H]2COCC[N@@H+]2CC2CCOCC2)n1 ZINC000257247715 301024915 /nfs/dbraw/zinc/02/49/15/301024915.db2.gz JACZGOUBAXVYQA-ZDUSSCGKSA-N 1 2 265.357 1.518 40 0 CDABLO Cc1c[nH]c([C@@H]2COCC[N@H+]2CC2CCOCC2)n1 ZINC000257247715 301024918 /nfs/dbraw/zinc/02/49/18/301024918.db2.gz JACZGOUBAXVYQA-ZDUSSCGKSA-N 1 2 265.357 1.518 40 0 CDABLO Cn1nnc2c1CC[N@H+](CC1CC1)[C@H]2COCC1CC1 ZINC000096045298 185071192 /nfs/dbraw/zinc/07/11/92/185071192.db2.gz QEFLDUOAWMNUTO-AWEZNQCLSA-N 1 2 276.384 1.551 40 0 CDABLO Cn1nnc2c1CC[N@@H+](CC1CC1)[C@H]2COCC1CC1 ZINC000096045298 185071194 /nfs/dbraw/zinc/07/11/94/185071194.db2.gz QEFLDUOAWMNUTO-AWEZNQCLSA-N 1 2 276.384 1.551 40 0 CDABLO Cc1ccc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000041392662 362569588 /nfs/dbraw/zinc/56/95/88/362569588.db2.gz WKMLAYBGAWYSTM-ZDUSSCGKSA-N 1 2 253.367 1.614 40 0 CDABLO Cc1ccc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000041392662 362569591 /nfs/dbraw/zinc/56/95/91/362569591.db2.gz WKMLAYBGAWYSTM-ZDUSSCGKSA-N 1 2 253.367 1.614 40 0 CDABLO CCCS(=O)(=O)N(C)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257322208 362586096 /nfs/dbraw/zinc/58/60/96/362586096.db2.gz WFAHVZQSJWOSHV-ZDUSSCGKSA-N 1 2 297.424 1.722 40 0 CDABLO Cc1cc([C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)[nH]n1 ZINC000328680037 202008447 /nfs/dbraw/zinc/00/84/47/202008447.db2.gz NJHJLHRCPNPNDQ-GFCCVEGCSA-N 1 2 287.367 1.780 40 0 CDABLO Cc1cc([C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)[nH]n1 ZINC000328680037 202008451 /nfs/dbraw/zinc/00/84/51/202008451.db2.gz NJHJLHRCPNPNDQ-GFCCVEGCSA-N 1 2 287.367 1.780 40 0 CDABLO Nc1nc(C[NH+]2CCCC2)nc(-c2ccccc2O)n1 ZINC000036611957 356406917 /nfs/dbraw/zinc/40/69/17/356406917.db2.gz PBZWNLBTTCXYPS-UHFFFAOYSA-N 1 2 271.324 1.422 40 0 CDABLO COc1cc2c(cc1O)C[N@H+](CCC(C)=O)C[C@@H]2O ZINC000024717580 356660081 /nfs/dbraw/zinc/66/00/81/356660081.db2.gz PIEXRCRXGSYDSD-ZDUSSCGKSA-N 1 2 265.309 1.229 40 0 CDABLO COc1cc2c(cc1O)C[N@@H+](CCC(C)=O)C[C@@H]2O ZINC000024717580 356660085 /nfs/dbraw/zinc/66/00/85/356660085.db2.gz PIEXRCRXGSYDSD-ZDUSSCGKSA-N 1 2 265.309 1.229 40 0 CDABLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000188777743 357863490 /nfs/dbraw/zinc/86/34/90/357863490.db2.gz GNPIIJANHDIJPC-PYZSFPMPSA-N 1 2 293.338 1.837 40 0 CDABLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1C/C=C/c1ccc(F)cc1 ZINC000188777743 357863492 /nfs/dbraw/zinc/86/34/92/357863492.db2.gz GNPIIJANHDIJPC-PYZSFPMPSA-N 1 2 293.338 1.837 40 0 CDABLO CC(C)n1cnc2c1[C@H](C(=O)N(C)C)[N@H+](CC1CC1)CC2 ZINC000096265029 358730782 /nfs/dbraw/zinc/73/07/82/358730782.db2.gz KWWLGPZERPYGNF-OAHLLOKOSA-N 1 2 290.411 1.861 40 0 CDABLO CC(C)n1cnc2c1[C@H](C(=O)N(C)C)[N@@H+](CC1CC1)CC2 ZINC000096265029 358730786 /nfs/dbraw/zinc/73/07/86/358730786.db2.gz KWWLGPZERPYGNF-OAHLLOKOSA-N 1 2 290.411 1.861 40 0 CDABLO O=C(NCCn1cc[nH+]c1)N[C@H]1CCCCC[C@@H]1CO ZINC000130869746 361013650 /nfs/dbraw/zinc/01/36/50/361013650.db2.gz HYUDDKZIVRSONV-OLZOCXBDSA-N 1 2 280.372 1.124 40 0 CDABLO CC[C@@H]1C[N@H+](CCS(=O)(=O)CC)CCS1 ZINC000076071959 366968233 /nfs/dbraw/zinc/96/82/33/366968233.db2.gz AYOCSNLIDQTJGU-SNVBAGLBSA-N 1 2 251.417 1.249 40 0 CDABLO CC[C@@H]1C[N@@H+](CCS(=O)(=O)CC)CCS1 ZINC000076071959 366968238 /nfs/dbraw/zinc/96/82/38/366968238.db2.gz AYOCSNLIDQTJGU-SNVBAGLBSA-N 1 2 251.417 1.249 40 0 CDABLO COc1c(N)[nH+]cnc1N1CC[C@H](C2CCOCC2)C1 ZINC000582371012 370553427 /nfs/dbraw/zinc/55/34/27/370553427.db2.gz IOTNCQKPCZDQEL-NSHDSACASA-N 1 2 278.356 1.320 40 0 CDABLO COc1c(N)nc[nH+]c1N1CC[C@H](C2CCOCC2)C1 ZINC000582371012 370553433 /nfs/dbraw/zinc/55/34/33/370553433.db2.gz IOTNCQKPCZDQEL-NSHDSACASA-N 1 2 278.356 1.320 40 0 CDABLO O=S(=O)(C1CC1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000151149749 374206114 /nfs/dbraw/zinc/20/61/14/374206114.db2.gz ZTNPXWLIOXATFM-NSHDSACASA-N 1 2 268.338 1.027 40 0 CDABLO C[N@@H+]1CCN(S(=O)(=O)C2CC2)C[C@@H]1Cc1ccccc1 ZINC000225454285 374430834 /nfs/dbraw/zinc/43/08/34/374430834.db2.gz YNDFWPNZUYGGSF-AWEZNQCLSA-N 1 2 294.420 1.337 40 0 CDABLO C[N@H+]1CCN(S(=O)(=O)C2CC2)C[C@@H]1Cc1ccccc1 ZINC000225454285 374430841 /nfs/dbraw/zinc/43/08/41/374430841.db2.gz YNDFWPNZUYGGSF-AWEZNQCLSA-N 1 2 294.420 1.337 40 0 CDABLO COC(=O)c1ccc2c(c1)[C@]1(CCO2)COCC[NH2+]1 ZINC000306145565 374972800 /nfs/dbraw/zinc/97/28/00/374972800.db2.gz IQTAUOLEGUPNTN-AWEZNQCLSA-N 1 2 263.293 1.071 40 0 CDABLO Nc1cc(C[N@@H+]2CCO[C@@H](COCC3CC3)C2)ccn1 ZINC000225617096 375171951 /nfs/dbraw/zinc/17/19/51/375171951.db2.gz VRZRVWMWZYSBFB-CQSZACIVSA-N 1 2 277.368 1.291 40 0 CDABLO Nc1cc(C[N@H+]2CCO[C@@H](COCC3CC3)C2)ccn1 ZINC000225617096 375171956 /nfs/dbraw/zinc/17/19/56/375171956.db2.gz VRZRVWMWZYSBFB-CQSZACIVSA-N 1 2 277.368 1.291 40 0 CDABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3cscn3)C2)[nH+]1 ZINC000257254880 190020603 /nfs/dbraw/zinc/02/06/03/190020603.db2.gz KFCOBRHAPYKNRS-SECBINFHSA-N 1 2 262.338 1.804 40 0 CDABLO CC(=O)N1CCC(c2cccc(N3CC[C@H](O)C3)[nH+]2)CC1 ZINC000257337427 190036473 /nfs/dbraw/zinc/03/64/73/190036473.db2.gz YSSCLHFLGORROA-AWEZNQCLSA-N 1 2 289.379 1.379 40 0 CDABLO C[C@@H]1CCCN2C(=O)C[N@H+](C3CCCCC3)CC(=O)N12 ZINC000001579212 390138959 /nfs/dbraw/zinc/13/89/59/390138959.db2.gz DGDJIANJRRBKNA-GFCCVEGCSA-N 1 2 279.384 1.389 40 0 CDABLO C[C@@H]1CCCN2C(=O)C[N@@H+](C3CCCCC3)CC(=O)N12 ZINC000001579212 390138963 /nfs/dbraw/zinc/13/89/63/390138963.db2.gz DGDJIANJRRBKNA-GFCCVEGCSA-N 1 2 279.384 1.389 40 0 CDABLO CCOC(=O)c1cn(C)nc1C[N@@H+]1CCC[C@H](C)C1 ZINC000575441467 391383764 /nfs/dbraw/zinc/38/37/64/391383764.db2.gz OOVOEFHMAUMHIE-NSHDSACASA-N 1 2 265.357 1.829 40 0 CDABLO CCOC(=O)c1cn(C)nc1C[N@H+]1CCC[C@H](C)C1 ZINC000575441467 391383767 /nfs/dbraw/zinc/38/37/67/391383767.db2.gz OOVOEFHMAUMHIE-NSHDSACASA-N 1 2 265.357 1.829 40 0 CDABLO CNc1ncc(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)cn1 ZINC000072366802 176381781 /nfs/dbraw/zinc/38/17/81/176381781.db2.gz VWGVNWYYXRMBIN-GFCCVEGCSA-N 1 2 258.329 1.579 40 0 CDABLO CNc1ncc(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)cn1 ZINC000072366802 176381783 /nfs/dbraw/zinc/38/17/83/176381783.db2.gz VWGVNWYYXRMBIN-GFCCVEGCSA-N 1 2 258.329 1.579 40 0 CDABLO OCC[N@@H+]1CCC[C@@H]1c1csc(Nc2ncccn2)n1 ZINC000072384608 176388928 /nfs/dbraw/zinc/38/89/28/176388928.db2.gz LFHHMXCPDPQVGH-LLVKDONJSA-N 1 2 291.380 1.806 40 0 CDABLO OCC[N@H+]1CCC[C@@H]1c1csc(Nc2ncccn2)n1 ZINC000072384608 176388930 /nfs/dbraw/zinc/38/89/30/176388930.db2.gz LFHHMXCPDPQVGH-LLVKDONJSA-N 1 2 291.380 1.806 40 0 CDABLO Cc1cccc(C[C@H]2COCC[N@H+](Cc3cnc[nH]3)C2)n1 ZINC000072388159 176393120 /nfs/dbraw/zinc/39/31/20/176393120.db2.gz SNJLXZYYVHZRHA-CQSZACIVSA-N 1 2 286.379 1.804 40 0 CDABLO Cc1cccc(C[C@H]2COCC[N@@H+](Cc3cnc[nH]3)C2)n1 ZINC000072388159 176393121 /nfs/dbraw/zinc/39/31/21/176393121.db2.gz SNJLXZYYVHZRHA-CQSZACIVSA-N 1 2 286.379 1.804 40 0 CDABLO COc1ccccc1[C@H]1CN(Cc2c[nH]cn2)CC[N@@H+]1C ZINC000257322336 262745536 /nfs/dbraw/zinc/74/55/36/262745536.db2.gz WFNPEJYPDARIJV-OAHLLOKOSA-N 1 2 286.379 1.907 40 0 CDABLO COc1ccccc1[C@H]1CN(Cc2c[nH]cn2)CC[N@H+]1C ZINC000257322336 262745537 /nfs/dbraw/zinc/74/55/37/262745537.db2.gz WFNPEJYPDARIJV-OAHLLOKOSA-N 1 2 286.379 1.907 40 0 CDABLO CC(C)(C(=O)N1CCC[C@H](CCO)CC1)[NH+]1CCOCC1 ZINC000332265330 278262894 /nfs/dbraw/zinc/26/28/94/278262894.db2.gz FQRQBTLXHAYQIR-AWEZNQCLSA-N 1 2 298.427 1.108 40 0 CDABLO CN1C(=O)C(=O)N(C)C1([NH2+]C(C)(C)C)c1ccccc1 ZINC000255190322 289790664 /nfs/dbraw/zinc/79/06/64/289790664.db2.gz WLRGQLCUVKEMHW-UHFFFAOYSA-N 1 2 275.352 1.115 40 0 CDABLO CCO[C@@H]1C[N@H+](Cc2cc(C)on2)[C@@H]2CCCO[C@H]12 ZINC000096042347 185070549 /nfs/dbraw/zinc/07/05/49/185070549.db2.gz MQBXAXJDSUGXDK-MCIONIFRSA-N 1 2 266.341 1.751 40 0 CDABLO CCO[C@@H]1C[N@@H+](Cc2cc(C)on2)[C@@H]2CCCO[C@H]12 ZINC000096042347 185070550 /nfs/dbraw/zinc/07/05/50/185070550.db2.gz MQBXAXJDSUGXDK-MCIONIFRSA-N 1 2 266.341 1.751 40 0 CDABLO CC(C)[N@@H+]1CCO[C@H]2CN(C(=O)c3ccncc3)C[C@H]21 ZINC000096054284 185076090 /nfs/dbraw/zinc/07/60/90/185076090.db2.gz WDRUWPBPVBLZJO-KGLIPLIRSA-N 1 2 275.352 1.015 40 0 CDABLO CC(C)[N@H+]1CCO[C@H]2CN(C(=O)c3ccncc3)C[C@H]21 ZINC000096054284 185076091 /nfs/dbraw/zinc/07/60/91/185076091.db2.gz WDRUWPBPVBLZJO-KGLIPLIRSA-N 1 2 275.352 1.015 40 0 CDABLO COC[C@H]1CCn2cncc2C[N@@H+]1Cc1cn[nH]c1 ZINC000585098295 342211708 /nfs/dbraw/zinc/21/17/08/342211708.db2.gz VRIMBFOZNSDYDE-GFCCVEGCSA-N 1 2 261.329 1.027 40 0 CDABLO COC[C@H]1CCn2cncc2C[N@H+]1Cc1cn[nH]c1 ZINC000585098295 342211709 /nfs/dbraw/zinc/21/17/09/342211709.db2.gz VRIMBFOZNSDYDE-GFCCVEGCSA-N 1 2 261.329 1.027 40 0 CDABLO O=C(Cn1cc[nH+]c1)N1CCC[C@H](O)[C@@H]1Cc1ccccc1 ZINC000585275434 342256152 /nfs/dbraw/zinc/25/61/52/342256152.db2.gz CEOKFWWLOBVYJD-HOTGVXAUSA-N 1 2 299.374 1.478 40 0 CDABLO COc1ncccc1C[N@H+]1Cc2cccn2C[C@H](OC)C1 ZINC000247841098 362134888 /nfs/dbraw/zinc/13/48/88/362134888.db2.gz KXMWIBPVBRRLEC-OAHLLOKOSA-N 1 2 287.363 1.923 40 0 CDABLO COc1ncccc1C[N@@H+]1Cc2cccn2C[C@H](OC)C1 ZINC000247841098 362134892 /nfs/dbraw/zinc/13/48/92/362134892.db2.gz KXMWIBPVBRRLEC-OAHLLOKOSA-N 1 2 287.363 1.923 40 0 CDABLO COC(=O)[C@H](c1ccccc1F)[N@@H+]1CC[C@H](CCO)C1 ZINC000072687214 342427741 /nfs/dbraw/zinc/42/77/41/342427741.db2.gz SDGLQXFBKMFULS-RISCZKNCSA-N 1 2 281.327 1.744 40 0 CDABLO COC(=O)[C@H](c1ccccc1F)[N@H+]1CC[C@H](CCO)C1 ZINC000072687214 342427742 /nfs/dbraw/zinc/42/77/42/342427742.db2.gz SDGLQXFBKMFULS-RISCZKNCSA-N 1 2 281.327 1.744 40 0 CDABLO O=C(NCc1ccccc1)OC1CC[NH+](C2COC2)CC1 ZINC000253533250 362435478 /nfs/dbraw/zinc/43/54/78/362435478.db2.gz LPOSMHVXZWWFJD-UHFFFAOYSA-N 1 2 290.363 1.776 40 0 CDABLO Cc1csc(NC(=O)[C@@]2(C)C[N@H+](C)CCO2)n1 ZINC000205679829 348744093 /nfs/dbraw/zinc/74/40/93/348744093.db2.gz ABVRMTPGCGMBML-LLVKDONJSA-N 1 2 255.343 1.111 40 0 CDABLO Cc1csc(NC(=O)[C@@]2(C)C[N@@H+](C)CCO2)n1 ZINC000205679829 348744097 /nfs/dbraw/zinc/74/40/97/348744097.db2.gz ABVRMTPGCGMBML-LLVKDONJSA-N 1 2 255.343 1.111 40 0 CDABLO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC[C@@H](O)CC1 ZINC000378810520 351227924 /nfs/dbraw/zinc/22/79/24/351227924.db2.gz ZZDLDHLVTZEAQG-CYBMUJFWSA-N 1 2 286.335 1.254 40 0 CDABLO COc1ccc(/C=C/C(=O)OCC[NH+]2CCOCC2)cc1 ZINC000019285930 356479748 /nfs/dbraw/zinc/47/97/48/356479748.db2.gz CLJXFPNQZQTQCE-QPJJXVBHSA-N 1 2 291.347 1.584 40 0 CDABLO Cc1ccc(C[N@@H+]2CCc3c(nc(C)[nH]c3=O)C2)o1 ZINC000019216626 356477043 /nfs/dbraw/zinc/47/70/43/356477043.db2.gz RHSKLNKSPAQYQW-UHFFFAOYSA-N 1 2 259.309 1.538 40 0 CDABLO Cc1ccc(C[N@H+]2CCc3c(nc(C)[nH]c3=O)C2)o1 ZINC000019216626 356477046 /nfs/dbraw/zinc/47/70/46/356477046.db2.gz RHSKLNKSPAQYQW-UHFFFAOYSA-N 1 2 259.309 1.538 40 0 CDABLO CCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000070243838 356870318 /nfs/dbraw/zinc/87/03/18/356870318.db2.gz VZJSNOJJYKEWST-UHFFFAOYSA-N 1 2 262.353 1.545 40 0 CDABLO CCNC(=O)[C@@H]1c2c(ncn2C(C)C)CC[N@H+]1CC1CC1 ZINC000096147238 358709214 /nfs/dbraw/zinc/70/92/14/358709214.db2.gz LCAXUMQTJMYHMR-HNNXBMFYSA-N 1 2 290.411 1.909 40 0 CDABLO CCNC(=O)[C@@H]1c2c(ncn2C(C)C)CC[N@@H+]1CC1CC1 ZINC000096147238 358709216 /nfs/dbraw/zinc/70/92/16/358709216.db2.gz LCAXUMQTJMYHMR-HNNXBMFYSA-N 1 2 290.411 1.909 40 0 CDABLO CC(C)n1cnc2c1[C@@H](C(=O)N(C)C)[N@H+](CC1CC1)CC2 ZINC000096265030 358730938 /nfs/dbraw/zinc/73/09/38/358730938.db2.gz KWWLGPZERPYGNF-HNNXBMFYSA-N 1 2 290.411 1.861 40 0 CDABLO CC(C)n1cnc2c1[C@@H](C(=O)N(C)C)[N@@H+](CC1CC1)CC2 ZINC000096265030 358730944 /nfs/dbraw/zinc/73/09/44/358730944.db2.gz KWWLGPZERPYGNF-HNNXBMFYSA-N 1 2 290.411 1.861 40 0 CDABLO CN1CC[N@H+](Cc2cncnc2)C[C@@H]1c1ccccc1 ZINC000257225246 190015235 /nfs/dbraw/zinc/01/52/35/190015235.db2.gz FFKUEMUSGXJIJM-MRXNPFEDSA-N 1 2 268.364 1.965 40 0 CDABLO CN1CC[N@@H+](Cc2cncnc2)C[C@@H]1c1ccccc1 ZINC000257225246 190015236 /nfs/dbraw/zinc/01/52/36/190015236.db2.gz FFKUEMUSGXJIJM-MRXNPFEDSA-N 1 2 268.364 1.965 40 0 CDABLO COc1ncc(CN2CCC[C@H]2c2[nH]cc(C)[nH+]2)cn1 ZINC000257236760 190017861 /nfs/dbraw/zinc/01/78/61/190017861.db2.gz HDQHGCGPYBVMRB-LBPRGKRZSA-N 1 2 273.340 1.854 40 0 CDABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3cscn3)C2)[nH+]1 ZINC000257254881 190020994 /nfs/dbraw/zinc/02/09/94/190020994.db2.gz KFCOBRHAPYKNRS-VIFPVBQESA-N 1 2 262.338 1.804 40 0 CDABLO Cc1nccc([C@H]2CCC[N@H+]2Cc2cnc(N(C)C)nc2)n1 ZINC000257276940 190025558 /nfs/dbraw/zinc/02/55/58/190025558.db2.gz NVUGQNRWYQXMII-OAHLLOKOSA-N 1 2 298.394 1.978 40 0 CDABLO Cc1nccc([C@H]2CCC[N@@H+]2Cc2cnc(N(C)C)nc2)n1 ZINC000257276940 190025559 /nfs/dbraw/zinc/02/55/59/190025559.db2.gz NVUGQNRWYQXMII-OAHLLOKOSA-N 1 2 298.394 1.978 40 0 CDABLO Cn1cc(C[N@@H+]2CCO[C@H](Cc3cccnc3)C2)cn1 ZINC000257287898 190027193 /nfs/dbraw/zinc/02/71/93/190027193.db2.gz PRXRHBYYHJGLMU-OAHLLOKOSA-N 1 2 272.352 1.259 40 0 CDABLO Cn1cc(C[N@H+]2CCO[C@H](Cc3cccnc3)C2)cn1 ZINC000257287898 190027194 /nfs/dbraw/zinc/02/71/94/190027194.db2.gz PRXRHBYYHJGLMU-OAHLLOKOSA-N 1 2 272.352 1.259 40 0 CDABLO CC[C@@H](C(=O)NCc1ccc[nH]1)[N@@H+]1CCO[C@H](CC)C1 ZINC000330466997 376139768 /nfs/dbraw/zinc/13/97/68/376139768.db2.gz XRTALBDQFDZQIB-KGLIPLIRSA-N 1 2 279.384 1.520 40 0 CDABLO CC[C@@H](C(=O)NCc1ccc[nH]1)[N@H+]1CCO[C@H](CC)C1 ZINC000330466997 376139774 /nfs/dbraw/zinc/13/97/74/376139774.db2.gz XRTALBDQFDZQIB-KGLIPLIRSA-N 1 2 279.384 1.520 40 0 CDABLO CC(=O)N1CCC[C@H]1c1ccc[nH+]c1N1CCOCC1 ZINC000072216216 390621217 /nfs/dbraw/zinc/62/12/17/390621217.db2.gz HLFAUOQCFOEKBA-AWEZNQCLSA-N 1 2 275.352 1.602 40 0 CDABLO Cc1cc(N2CC[C@@H](c3ccnc(N(C)C)n3)C2)nc[nH+]1 ZINC000072364144 176379054 /nfs/dbraw/zinc/37/90/54/176379054.db2.gz XUPBSSMUVVDURR-GFCCVEGCSA-N 1 2 284.367 1.635 40 0 CDABLO CC[C@@H](OC1CCCC1)C(=O)NCc1[nH+]ccn1C ZINC000079047123 177420964 /nfs/dbraw/zinc/42/09/64/177420964.db2.gz GJXHVNOENKJBCY-GFCCVEGCSA-N 1 2 265.357 1.774 40 0 CDABLO CC(C)(C(=O)N1CCC[C@@H](CCO)CC1)[NH+]1CCOCC1 ZINC000332265331 278262316 /nfs/dbraw/zinc/26/23/16/278262316.db2.gz FQRQBTLXHAYQIR-CQSZACIVSA-N 1 2 298.427 1.108 40 0 CDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2ncccc2C)[nH+]1 ZINC000257272919 301025509 /nfs/dbraw/zinc/02/55/09/301025509.db2.gz NEJZNYRLRWTDBL-GFCCVEGCSA-N 1 2 286.335 1.635 40 0 CDABLO COc1ccc(-c2n[nH]c(Cn3cc[nH+]c3)n2)cc1OC ZINC000062718953 523175774 /nfs/dbraw/zinc/17/57/74/523175774.db2.gz GHKQNXALYQKVKD-UHFFFAOYSA-N 1 2 285.307 1.734 40 0 CDABLO O=C(CC1CCCC1)N1CC[NH+](CCn2cccn2)CC1 ZINC000062021962 526353329 /nfs/dbraw/zinc/35/33/29/526353329.db2.gz RABQKFKWXWEMAG-UHFFFAOYSA-N 1 2 290.411 1.608 40 0 CDABLO CCN1OC2(CC1=O)CC[NH+](Cc1cc(C)on1)CC2 ZINC001549162535 968052814 /nfs/dbraw/zinc/05/28/14/968052814.db2.gz SAJYWIJETAGXDK-UHFFFAOYSA-N 1 2 279.340 1.501 40 0 CDABLO COC[C@@H]1C[N@H+](Cc2ccco2)Cc2cnn(C)c21 ZINC000096060001 185081591 /nfs/dbraw/zinc/08/15/91/185081591.db2.gz DNSJSQFFUYAZCD-LBPRGKRZSA-N 1 2 261.325 1.759 40 0 CDABLO COC[C@@H]1C[N@@H+](Cc2ccco2)Cc2cnn(C)c21 ZINC000096060001 185081594 /nfs/dbraw/zinc/08/15/94/185081594.db2.gz DNSJSQFFUYAZCD-LBPRGKRZSA-N 1 2 261.325 1.759 40 0 CDABLO c1cn(C[C@@H]2CC[C@H]3[C@@H]2OCC[N@@H+]3Cc2ccccn2)cn1 ZINC000248078757 362148924 /nfs/dbraw/zinc/14/89/24/362148924.db2.gz HYCNUIXRCHWTES-BHYGNILZSA-N 1 2 298.390 1.958 40 0 CDABLO c1cn(C[C@@H]2CC[C@H]3[C@@H]2OCC[N@H+]3Cc2ccccn2)cn1 ZINC000248078757 362148928 /nfs/dbraw/zinc/14/89/28/362148928.db2.gz HYCNUIXRCHWTES-BHYGNILZSA-N 1 2 298.390 1.958 40 0 CDABLO Cn1cc(C[NH+]2CC3(C2)OCC[C@@H]3COCC2CC2)cn1 ZINC000248120770 362150773 /nfs/dbraw/zinc/15/07/73/362150773.db2.gz JZRWPYLXAHPWQW-OAHLLOKOSA-N 1 2 291.395 1.438 40 0 CDABLO C[C@H](CNC(=O)c1ccncc1F)Cn1cc[nH+]c1 ZINC000081797644 362214014 /nfs/dbraw/zinc/21/40/14/362214014.db2.gz IYCZRHKNOHSNNL-SNVBAGLBSA-N 1 2 262.288 1.483 40 0 CDABLO CCO[C@H]1C[C@@H](NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000333816865 363170398 /nfs/dbraw/zinc/17/03/98/363170398.db2.gz ICRWGYICBXWDBG-GARJFASQSA-N 1 2 278.356 1.134 40 0 CDABLO CCO[C@H]1C[C@@H](NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000333816865 363170401 /nfs/dbraw/zinc/17/04/01/363170401.db2.gz ICRWGYICBXWDBG-GARJFASQSA-N 1 2 278.356 1.134 40 0 CDABLO C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccsc3)C[C@@H]21 ZINC000108531784 283028431 /nfs/dbraw/zinc/02/84/31/283028431.db2.gz DCTPPCJFBXYFMM-RYUDHWBXSA-N 1 2 266.366 1.293 40 0 CDABLO C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccsc3)C[C@@H]21 ZINC000108531784 283028432 /nfs/dbraw/zinc/02/84/32/283028432.db2.gz DCTPPCJFBXYFMM-RYUDHWBXSA-N 1 2 266.366 1.293 40 0 CDABLO O=C(CCn1cc[nH+]c1)N1CCN(c2ccccc2)CC1 ZINC000013219983 356341173 /nfs/dbraw/zinc/34/11/73/356341173.db2.gz YCOZJDHIUCXFCK-UHFFFAOYSA-N 1 2 284.363 1.622 40 0 CDABLO COc1ncccc1C[N@@H+]1CCN(C)c2ncccc2C1 ZINC000096198786 358717385 /nfs/dbraw/zinc/71/73/85/358717385.db2.gz VXXMYRXQNPCYAC-UHFFFAOYSA-N 1 2 284.363 1.937 40 0 CDABLO COc1ncccc1C[N@H+]1CCN(C)c2ncccc2C1 ZINC000096198786 358717389 /nfs/dbraw/zinc/71/73/89/358717389.db2.gz VXXMYRXQNPCYAC-UHFFFAOYSA-N 1 2 284.363 1.937 40 0 CDABLO CCOC[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1cnn(C)c1 ZINC000096249903 358726491 /nfs/dbraw/zinc/72/64/91/358726491.db2.gz ZWBLARGDOAVPED-KKUMJFAQSA-N 1 2 279.384 1.436 40 0 CDABLO CCOC[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1cnn(C)c1 ZINC000096249903 358726497 /nfs/dbraw/zinc/72/64/97/358726497.db2.gz ZWBLARGDOAVPED-KKUMJFAQSA-N 1 2 279.384 1.436 40 0 CDABLO CC[C@H](C(=O)OC)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000022123255 359042952 /nfs/dbraw/zinc/04/29/52/359042952.db2.gz GLPBZZMNESMMOM-CQSZACIVSA-N 1 2 280.343 1.899 40 0 CDABLO O=C(Cc1ccccc1F)NCCCn1cc[nH+]c1 ZINC000047465599 361161373 /nfs/dbraw/zinc/16/13/73/361161373.db2.gz YEPVKMYEULFGSB-UHFFFAOYSA-N 1 2 261.300 1.771 40 0 CDABLO CN(Cc1nccs1)c1nc[nH+]c(N)c1Cl ZINC000225480399 374486860 /nfs/dbraw/zinc/48/68/60/374486860.db2.gz ZPRJYOUMAIPENC-UHFFFAOYSA-N 1 2 255.734 1.805 40 0 CDABLO CN(Cc1nccs1)c1[nH+]cnc(N)c1Cl ZINC000225480399 374486865 /nfs/dbraw/zinc/48/68/65/374486865.db2.gz ZPRJYOUMAIPENC-UHFFFAOYSA-N 1 2 255.734 1.805 40 0 CDABLO CCn1ccc(C[NH2+]Cc2ccn(CC(F)F)n2)n1 ZINC000256051534 190003867 /nfs/dbraw/zinc/00/38/67/190003867.db2.gz JNNJSKPNRDYNRP-UHFFFAOYSA-N 1 2 269.299 1.654 40 0 CDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)Cc2cccs2)[nH+]1 ZINC000257232431 190016894 /nfs/dbraw/zinc/01/68/94/190016894.db2.gz GKUWSHYOGWEINN-GFCCVEGCSA-N 1 2 291.376 1.922 40 0 CDABLO Cc1cn(C)c([C@@H]2CCN(C(=O)Cc3cccnc3)C2)[nH+]1 ZINC000257238959 190017994 /nfs/dbraw/zinc/01/79/94/190017994.db2.gz HNGGMAVESXTAOA-CQSZACIVSA-N 1 2 284.363 1.682 40 0 CDABLO CS(=O)(=O)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257260821 190022741 /nfs/dbraw/zinc/02/27/41/190022741.db2.gz LENHCPQMTOHUDM-LBPRGKRZSA-N 1 2 277.349 1.400 40 0 CDABLO CCCCc1nc(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)c[nH]1 ZINC000257274787 190024890 /nfs/dbraw/zinc/02/48/90/190024890.db2.gz NMQYMFXIEMGBLC-HOCLYGCPSA-N 1 2 293.411 1.868 40 0 CDABLO CCCCc1nc(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)c[nH]1 ZINC000257274787 190024891 /nfs/dbraw/zinc/02/48/91/190024891.db2.gz NMQYMFXIEMGBLC-HOCLYGCPSA-N 1 2 293.411 1.868 40 0 CDABLO CCCCc1ncc(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)[nH]1 ZINC000257274787 190024892 /nfs/dbraw/zinc/02/48/92/190024892.db2.gz NMQYMFXIEMGBLC-HOCLYGCPSA-N 1 2 293.411 1.868 40 0 CDABLO CCCCc1ncc(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)[nH]1 ZINC000257274787 190024893 /nfs/dbraw/zinc/02/48/93/190024893.db2.gz NMQYMFXIEMGBLC-HOCLYGCPSA-N 1 2 293.411 1.868 40 0 CDABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3cncnc3C)C2)[nH+]1 ZINC000257318042 190032373 /nfs/dbraw/zinc/03/23/73/190032373.db2.gz VMFNFNKRRVJLOB-NSHDSACASA-N 1 2 271.324 1.446 40 0 CDABLO CC(=O)N1CCO[C@H](c2cccc(-c3ccc(N)[nH+]c3)n2)C1 ZINC000257314760 190032386 /nfs/dbraw/zinc/03/23/86/190032386.db2.gz UYIKKAQXCWCQMJ-HNNXBMFYSA-N 1 2 298.346 1.646 40 0 CDABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cnn(C)c3)C2)[nH+]1 ZINC000257336536 190035981 /nfs/dbraw/zinc/03/59/81/190035981.db2.gz YOWGBEUKVPGYPT-LBPRGKRZSA-N 1 2 287.367 1.482 40 0 CDABLO C[N@@H+](Cc1cn2c(n1)CN(C(N)=O)CC2)Cc1ccco1 ZINC000096197482 256817931 /nfs/dbraw/zinc/81/79/31/256817931.db2.gz LTBPCVUHMVMCPA-UHFFFAOYSA-N 1 2 289.339 1.002 40 0 CDABLO C[N@H+](Cc1cn2c(n1)CN(C(N)=O)CC2)Cc1ccco1 ZINC000096197482 256817934 /nfs/dbraw/zinc/81/79/34/256817934.db2.gz LTBPCVUHMVMCPA-UHFFFAOYSA-N 1 2 289.339 1.002 40 0 CDABLO Cc1noc(C)c1C[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000044448806 175176539 /nfs/dbraw/zinc/17/65/39/175176539.db2.gz UDHADVCWIKMYRA-UHFFFAOYSA-N 1 2 277.368 1.736 40 0 CDABLO CCCCN(Cc1[nH+]ccn1C)[C@H]1CCS(=O)(=O)C1 ZINC000071089348 176031547 /nfs/dbraw/zinc/03/15/47/176031547.db2.gz NUZJSTIFJZCBGX-LBPRGKRZSA-N 1 2 285.413 1.209 40 0 CDABLO O=[n+]1nc(-n2cc[nH+]c2)[n-]c2cc(Cl)c(Cl)cc21 ZINC000409418455 262351401 /nfs/dbraw/zinc/35/14/01/262351401.db2.gz SENAFPJCJHOBKQ-UHFFFAOYSA-N 1 2 283.098 1.970 40 0 CDABLO COCCn1cc2[nH]c(N3CCC(C)CC3)[nH+]cc-2c1=O ZINC000046087671 423942337 /nfs/dbraw/zinc/94/23/37/423942337.db2.gz UAKZKOKNEKWOLL-UHFFFAOYSA-N 1 2 290.367 1.315 40 0 CDABLO COC[C@H]1Cn2ccnc2C[N@H+](Cc2ccoc2)C1 ZINC000096059066 277268144 /nfs/dbraw/zinc/26/81/44/277268144.db2.gz QWMBXLXSCJKWHZ-CYBMUJFWSA-N 1 2 261.325 1.755 40 0 CDABLO COC[C@H]1Cn2ccnc2C[N@@H+](Cc2ccoc2)C1 ZINC000096059066 277268145 /nfs/dbraw/zinc/26/81/45/277268145.db2.gz QWMBXLXSCJKWHZ-CYBMUJFWSA-N 1 2 261.325 1.755 40 0 CDABLO COC[C@H]1Cn2cc[nH+]c2CN(Cc2ccoc2)C1 ZINC000096059066 277268146 /nfs/dbraw/zinc/26/81/46/277268146.db2.gz QWMBXLXSCJKWHZ-CYBMUJFWSA-N 1 2 261.325 1.755 40 0 CDABLO COCc1cnc2n1CC[N@@H+](Cc1cnn(C)c1)[C@@H]2C ZINC000096109514 185099654 /nfs/dbraw/zinc/09/96/54/185099654.db2.gz XAVOZKJFWYUVAM-LLVKDONJSA-N 1 2 275.356 1.340 40 0 CDABLO COCc1cnc2n1CC[N@H+](Cc1cnn(C)c1)[C@@H]2C ZINC000096109514 185099655 /nfs/dbraw/zinc/09/96/55/185099655.db2.gz XAVOZKJFWYUVAM-LLVKDONJSA-N 1 2 275.356 1.340 40 0 CDABLO C[C@@]12CCN(C(=O)C=Cc3c[nH]c[nH+]3)[C@@H]1CC[C@@H](O)C2 ZINC000585291178 342258916 /nfs/dbraw/zinc/25/89/16/342258916.db2.gz MRBPNQYDNVTKHM-PEGHCVTKSA-N 1 2 275.352 1.575 40 0 CDABLO C[NH+]1CCN(C(=O)c2snnc2-c2ccccc2)CC1 ZINC000225760105 530070099 /nfs/dbraw/zinc/07/00/99/530070099.db2.gz NPGWSUFVDQOHBJ-UHFFFAOYSA-N 1 2 288.376 1.593 40 0 CDABLO COCc1nc(Cn2c(C)[nH+]c3ccccc32)no1 ZINC000041146293 357025469 /nfs/dbraw/zinc/02/54/69/357025469.db2.gz FNAMSLHDLXKVPY-UHFFFAOYSA-N 1 2 258.281 1.922 40 0 CDABLO Cc1nc(N2CCC[C@H](CN3CCCC3=O)C2)cc[nH+]1 ZINC000072369051 357830874 /nfs/dbraw/zinc/83/08/74/357830874.db2.gz ZHVIHOQEDMBUSV-ZDUSSCGKSA-N 1 2 274.368 1.624 40 0 CDABLO O=C(c1cccs1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2CC1CC1 ZINC000096246461 358725832 /nfs/dbraw/zinc/72/58/32/358725832.db2.gz ILOULBHGPGGYSL-OLZOCXBDSA-N 1 2 292.404 1.683 40 0 CDABLO O=C(c1cccs1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2CC1CC1 ZINC000096246461 358725834 /nfs/dbraw/zinc/72/58/34/358725834.db2.gz ILOULBHGPGGYSL-OLZOCXBDSA-N 1 2 292.404 1.683 40 0 CDABLO COc1ccc(CC(=O)NCCCn2cc[nH+]c2)cc1C ZINC000206083886 541924817 /nfs/dbraw/zinc/92/48/17/541924817.db2.gz SHNMIJPXEYQZCC-UHFFFAOYSA-N 1 2 287.363 1.949 40 0 CDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cccs2)[nH+]1 ZINC000257214552 190012902 /nfs/dbraw/zinc/01/29/02/190012902.db2.gz CMKMFIHKIJOQQH-JTQLQIEISA-N 1 2 277.349 1.993 40 0 CDABLO CNc1nccc([C@@H]2CCCCN2Cc2[nH+]ccn2C)n1 ZINC000257214488 190013463 /nfs/dbraw/zinc/01/34/63/190013463.db2.gz CMEAVGJSIBPULQ-ZDUSSCGKSA-N 1 2 286.383 1.979 40 0 CDABLO c1ccc(N2CCOC[C@@H](Cc3cncnc3)C2)[nH+]c1 ZINC000257221378 190014629 /nfs/dbraw/zinc/01/46/29/190014629.db2.gz DOUJGPFDUKENQT-AWEZNQCLSA-N 1 2 270.336 1.567 40 0 CDABLO O=C(C[N@@H+]1CCC[C@H](Cc2ccn[nH]2)C1)N1CCCC1 ZINC000257282561 190026101 /nfs/dbraw/zinc/02/61/01/190026101.db2.gz OUGQBGFHPUMKDS-CYBMUJFWSA-N 1 2 276.384 1.287 40 0 CDABLO O=C(C[N@H+]1CCC[C@H](Cc2ccn[nH]2)C1)N1CCCC1 ZINC000257282561 190026102 /nfs/dbraw/zinc/02/61/02/190026102.db2.gz OUGQBGFHPUMKDS-CYBMUJFWSA-N 1 2 276.384 1.287 40 0 CDABLO CNc1nc(Cl)c(SC)c(N2CC[NH+](C)CC2)n1 ZINC000000001729 390595873 /nfs/dbraw/zinc/59/58/73/390595873.db2.gz ITYXRJDDBZMFAY-UHFFFAOYSA-N 1 2 287.820 1.645 40 0 in-man CDABLO CCN(CC)Cc1nc([C@H]([NH3+])c2ccccc2)no1 ZINC000070453751 390942637 /nfs/dbraw/zinc/94/26/37/390942637.db2.gz BNRXEUQPADZGEI-CYBMUJFWSA-N 1 2 260.341 1.960 40 0 CDABLO CCOC(=O)C(F)(F)[C@H]([NH3+])c1cccc(OC)c1 ZINC000199566691 397719576 /nfs/dbraw/zinc/71/95/76/397719576.db2.gz XPLAZBAWBTUWEH-SNVBAGLBSA-N 1 2 259.252 1.893 40 0 CDABLO CCOC(=O)[C@]1(CC)C[NH2+]C[C@@](CC)(C(=O)OCC)C1=O ZINC000031938596 285954669 /nfs/dbraw/zinc/95/46/69/285954669.db2.gz WGCCSOFWRUXEAE-HUUCEWRRSA-N 1 2 299.367 1.078 40 0 CDABLO CC(=O)N1CCC[C@@H](Cc2cncc(-n3cc[nH+]c3)n2)C1 ZINC000072360663 176377144 /nfs/dbraw/zinc/37/71/44/176377144.db2.gz YHCAYCKNFMKRPG-ZDUSSCGKSA-N 1 2 285.351 1.463 40 0 CDABLO Cn1cccc1[C@H]1COCC[N@@H+]1CCOCC1CC1 ZINC000131907856 323210995 /nfs/dbraw/zinc/21/09/95/323210995.db2.gz HBMRRKTYZDTKSI-OAHLLOKOSA-N 1 2 264.369 1.825 40 0 CDABLO Cn1cccc1[C@H]1COCC[N@H+]1CCOCC1CC1 ZINC000131907856 323210997 /nfs/dbraw/zinc/21/09/97/323210997.db2.gz HBMRRKTYZDTKSI-OAHLLOKOSA-N 1 2 264.369 1.825 40 0 CDABLO CCOC(=O)[C@H]1C[C@H](O)CC[N@@H+]1Cc1ccccc1 ZINC000199815689 570372626 /nfs/dbraw/zinc/37/26/26/570372626.db2.gz MXMJGAMEFKMLPX-ZIAGYGMSSA-N 1 2 263.337 1.575 40 0 CDABLO CCOC(=O)[C@H]1C[C@H](O)CC[N@H+]1Cc1ccccc1 ZINC000199815689 570372627 /nfs/dbraw/zinc/37/26/27/570372627.db2.gz MXMJGAMEFKMLPX-ZIAGYGMSSA-N 1 2 263.337 1.575 40 0 CDABLO Cc1cc(=O)[nH]c(NC(=[NH2+])Nc2ccccc2C)n1 ZINC000016989644 230371739 /nfs/dbraw/zinc/37/17/39/230371739.db2.gz STDMLVSZKQUMEL-UHFFFAOYSA-N 1 2 257.297 1.846 40 0 CDABLO CCOc1ccc([C@@H]([NH3+])c2nc(COC)n[nH]2)cc1OC ZINC000095534273 185005783 /nfs/dbraw/zinc/00/57/83/185005783.db2.gz OTCGUPYHNUVFLB-CYBMUJFWSA-N 1 2 292.339 1.407 40 0 CDABLO [NH3+][C@H](c1nnc(Cn2cncn2)[nH]1)c1ccc(Cl)cc1 ZINC000095533972 185006735 /nfs/dbraw/zinc/00/67/35/185006735.db2.gz KVONAQANIZRGSB-NSHDSACASA-N 1 2 289.730 1.146 40 0 CDABLO [NH3+][C@@H](c1nnc(Cn2cccn2)[nH]1)c1ccc(F)cc1 ZINC000095533290 185007489 /nfs/dbraw/zinc/00/74/89/185007489.db2.gz CIAVOBGDQOAOJY-GFCCVEGCSA-N 1 2 272.287 1.237 40 0 CDABLO C[C@@H](NC(=O)C[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000169293819 361800725 /nfs/dbraw/zinc/80/07/25/361800725.db2.gz YSPFGNHRGXHSCG-MELADBBJSA-N 1 2 276.380 1.973 40 0 CDABLO O=C(c1ccncc1)N1C[C@H]2[C@H](C[N@@H+]2Cc2ccc[nH]2)C1 ZINC000096080556 185090734 /nfs/dbraw/zinc/09/07/34/185090734.db2.gz LLLKLBFCEXDSIR-HIFRSBDPSA-N 1 2 282.347 1.366 40 0 CDABLO O=C(c1ccncc1)N1C[C@H]2[C@H](C[N@H+]2Cc2ccc[nH]2)C1 ZINC000096080556 185090736 /nfs/dbraw/zinc/09/07/36/185090736.db2.gz LLLKLBFCEXDSIR-HIFRSBDPSA-N 1 2 282.347 1.366 40 0 CDABLO C[NH+](C)Cc1noc2c1CN(Cc1ccoc1)CC2 ZINC000096084807 185092570 /nfs/dbraw/zinc/09/25/70/185092570.db2.gz GOYGACVEZFXBBQ-UHFFFAOYSA-N 1 2 261.325 1.888 40 0 CDABLO CCOC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)c1cocn1 ZINC000585095007 342211456 /nfs/dbraw/zinc/21/14/56/342211456.db2.gz ZKFKJUALZKJIJU-JTQLQIEISA-N 1 2 290.323 1.012 40 0 CDABLO C[N@H+]1Cc2ccnn2[C@@H](CCNC(=O)N2CCCC2)C1 ZINC000585112535 342213563 /nfs/dbraw/zinc/21/35/63/342213563.db2.gz RYWQUNXTXDRRSK-LBPRGKRZSA-N 1 2 277.372 1.065 40 0 CDABLO C[N@@H+]1Cc2ccnn2[C@@H](CCNC(=O)N2CCCC2)C1 ZINC000585112535 342213564 /nfs/dbraw/zinc/21/35/64/342213564.db2.gz RYWQUNXTXDRRSK-LBPRGKRZSA-N 1 2 277.372 1.065 40 0 CDABLO COc1cccc([C@H](CO)[NH+]2CCOCC2)c1OC ZINC000070453278 361972672 /nfs/dbraw/zinc/97/26/72/361972672.db2.gz KFASUHUHTYDGKU-LBPRGKRZSA-N 1 2 267.325 1.069 40 0 CDABLO O=C(Cn1cccn1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000131235224 136389094 /nfs/dbraw/zinc/38/90/94/136389094.db2.gz ZJHRGCDIPJRPON-ZDUSSCGKSA-N 1 2 285.351 1.063 40 0 CDABLO CC(C)CNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000066828370 357584826 /nfs/dbraw/zinc/58/48/26/357584826.db2.gz XZLNHTSQZYDUQE-UHFFFAOYSA-N 1 2 276.380 1.905 40 0 CDABLO Cc1cc(N2CCO[C@@](C)(c3cc[nH]n3)C2)nc[nH+]1 ZINC000072385519 357832108 /nfs/dbraw/zinc/83/21/08/357832108.db2.gz DVLNWCNTVFHQLY-CYBMUJFWSA-N 1 2 259.313 1.260 40 0 CDABLO O=C(c1ccc[nH]1)N1CCn2c(Cn3cccn3)c[nH+]c2C1 ZINC000096201109 358718588 /nfs/dbraw/zinc/71/85/88/358718588.db2.gz AZSJAJTWYFSGRI-UHFFFAOYSA-N 1 2 296.334 1.112 40 0 CDABLO CC(C)CCc1cc(=NC(=O)CCc2c[nH+]cn2C)[nH][nH]1 ZINC000330032995 374838287 /nfs/dbraw/zinc/83/82/87/374838287.db2.gz VJENQPZEHRRTFE-UHFFFAOYSA-N 1 2 289.383 1.725 40 0 CDABLO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2nnc(C)o2)C1 ZINC000225633684 375174649 /nfs/dbraw/zinc/17/46/49/375174649.db2.gz QPUVPNITBKOONZ-AWEZNQCLSA-N 1 2 297.355 1.170 40 0 CDABLO CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2nnc(C)o2)C1 ZINC000225633684 375174656 /nfs/dbraw/zinc/17/46/56/375174656.db2.gz QPUVPNITBKOONZ-AWEZNQCLSA-N 1 2 297.355 1.170 40 0 CDABLO Cn1cnc(C[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)c1 ZINC000257231763 190016689 /nfs/dbraw/zinc/01/66/89/190016689.db2.gz GIBYYJGVKWQMOP-HUUCEWRRSA-N 1 2 273.336 1.044 40 0 CDABLO Cn1cnc(C[N@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)c1 ZINC000257231763 190016690 /nfs/dbraw/zinc/01/66/90/190016690.db2.gz GIBYYJGVKWQMOP-HUUCEWRRSA-N 1 2 273.336 1.044 40 0 CDABLO Cc1cc(N2CCC[C@@H]2c2ncc(C(N)=O)s2)nc[nH+]1 ZINC000257234410 190017393 /nfs/dbraw/zinc/01/73/93/190017393.db2.gz GTKHFYOVTDUUGR-SECBINFHSA-N 1 2 289.364 1.682 40 0 CDABLO CC(C)n1cc[nH+]c1CN1CCOC[C@@H]1c1cc[nH]n1 ZINC000257298670 190029531 /nfs/dbraw/zinc/02/95/31/190029531.db2.gz RMVAHQCSIUBSBL-CYBMUJFWSA-N 1 2 275.356 1.761 40 0 CDABLO CCOCC(=O)N1CCC[C@@H](c2cc[nH+]c(NC)c2)C1 ZINC000257336525 190036178 /nfs/dbraw/zinc/03/61/78/190036178.db2.gz YOVKVBUMCSIGKI-CYBMUJFWSA-N 1 2 277.368 1.866 40 0 CDABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3cc(C)on3)C2)[nH+]1 ZINC000257335813 190036360 /nfs/dbraw/zinc/03/63/60/190036360.db2.gz YLZRUOMVHDZCQP-SNVBAGLBSA-N 1 2 260.297 1.644 40 0 CDABLO COC[C@@H]1Cn2ccnc2C[N@H+](Cc2ccncc2)C1 ZINC000096059079 285312767 /nfs/dbraw/zinc/31/27/67/285312767.db2.gz LGIDBKLAKMKGJK-AWEZNQCLSA-N 1 2 272.352 1.557 40 0 CDABLO COC[C@@H]1Cn2ccnc2C[N@@H+](Cc2ccncc2)C1 ZINC000096059079 285312771 /nfs/dbraw/zinc/31/27/71/285312771.db2.gz LGIDBKLAKMKGJK-AWEZNQCLSA-N 1 2 272.352 1.557 40 0 CDABLO Fc1ccc(-n2nnnc2/C=C/[NH+]2CCCC2)cc1 ZINC000055116695 390488383 /nfs/dbraw/zinc/48/83/83/390488383.db2.gz GFKSQWBBYCCYCT-JXMROGBWSA-N 1 2 259.288 1.868 40 0 CDABLO CNC(=O)[C@H]1CC[N@H+](Cc2ncc(C(F)(F)F)s2)C1 ZINC000421392732 391857758 /nfs/dbraw/zinc/85/77/58/391857758.db2.gz RKNDUXQCKKBGKY-ZETCQYMHSA-N 1 2 293.314 1.730 40 0 CDABLO CNC(=O)[C@H]1CC[N@@H+](Cc2ncc(C(F)(F)F)s2)C1 ZINC000421392732 391857762 /nfs/dbraw/zinc/85/77/62/391857762.db2.gz RKNDUXQCKKBGKY-ZETCQYMHSA-N 1 2 293.314 1.730 40 0 CDABLO CCOC1CN(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)C1 ZINC000334064916 286019606 /nfs/dbraw/zinc/01/96/06/286019606.db2.gz CRAOIAVBOIOASG-KOLCDFICSA-N 1 2 264.329 1.319 40 0 CDABLO CO[C@H]1CSC2(C[NH+](Cc3nccs3)C2)C1 ZINC000247906489 286079858 /nfs/dbraw/zinc/07/98/58/286079858.db2.gz XCNVNSUNFJNRKV-SECBINFHSA-N 1 2 256.396 1.849 40 0 CDABLO COC(=O)[C@H]1C[C@@H](N(C)C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000022013788 171349222 /nfs/dbraw/zinc/34/92/22/171349222.db2.gz CCOAFXUJNHQVBV-VHSXEESVSA-N 1 2 272.345 1.147 40 0 CDABLO CNC(=O)c1cccc([C@@H]2CCCN2c2cc(C)[nH+]cn2)n1 ZINC000072355857 176375557 /nfs/dbraw/zinc/37/55/57/176375557.db2.gz DBHSUSYITTYSJA-AWEZNQCLSA-N 1 2 297.362 1.881 40 0 CDABLO Cc1nc([C@@H]2CCC[N@@H+](Cc3nccn3C)C2)no1 ZINC000072364305 176379259 /nfs/dbraw/zinc/37/92/59/176379259.db2.gz QKNBRFOWQDVCDH-LLVKDONJSA-N 1 2 261.329 1.491 40 0 CDABLO Cc1nc([C@@H]2CCC[N@H+](Cc3nccn3C)C2)no1 ZINC000072364305 176379260 /nfs/dbraw/zinc/37/92/60/176379260.db2.gz QKNBRFOWQDVCDH-LLVKDONJSA-N 1 2 261.329 1.491 40 0 CDABLO OCC[N@@H+]1CCC[C@H]1c1csc(Nc2ncccn2)n1 ZINC000072384607 176388631 /nfs/dbraw/zinc/38/86/31/176388631.db2.gz LFHHMXCPDPQVGH-NSHDSACASA-N 1 2 291.380 1.806 40 0 CDABLO OCC[N@H+]1CCC[C@H]1c1csc(Nc2ncccn2)n1 ZINC000072384607 176388632 /nfs/dbraw/zinc/38/86/32/176388632.db2.gz LFHHMXCPDPQVGH-NSHDSACASA-N 1 2 291.380 1.806 40 0 CDABLO COc1cccc2c1cc[nH+]c2N1CCN2C(=O)NC[C@H]2C1 ZINC000333375666 278041978 /nfs/dbraw/zinc/04/19/78/278041978.db2.gz AMVMETKNPHMCJN-NSHDSACASA-N 1 2 298.346 1.457 40 0 CDABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@H](C(=O)N(C)C)O[C@@H]3C2)no1 ZINC000096042701 185069930 /nfs/dbraw/zinc/06/99/30/185069930.db2.gz SLHSSJHBLOOXJE-IACUBPJLSA-N 1 2 293.367 1.051 40 0 CDABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@H](C(=O)N(C)C)O[C@@H]3C2)no1 ZINC000096042701 185069931 /nfs/dbraw/zinc/06/99/31/185069931.db2.gz SLHSSJHBLOOXJE-IACUBPJLSA-N 1 2 293.367 1.051 40 0 CDABLO CN1c2ccccc2O[C@H]2C[C@@H](C1=O)N(Cc1[nH]cc[nH+]1)C2 ZINC000096111924 185101666 /nfs/dbraw/zinc/10/16/66/185101666.db2.gz KSXYQBZHDCNFRQ-AAEUAGOBSA-N 1 2 298.346 1.408 40 0 biogenic,in-vitro CDABLO C[N@H+]1Cc2ccnn2[C@@H](CCNC(=O)C2CC(F)(F)C2)C1 ZINC000585111943 342213361 /nfs/dbraw/zinc/21/33/61/342213361.db2.gz DYCSTNURMWRPQG-NSHDSACASA-N 1 2 298.337 1.421 40 0 CDABLO C[N@@H+]1Cc2ccnn2[C@@H](CCNC(=O)C2CC(F)(F)C2)C1 ZINC000585111943 342213362 /nfs/dbraw/zinc/21/33/62/342213362.db2.gz DYCSTNURMWRPQG-NSHDSACASA-N 1 2 298.337 1.421 40 0 CDABLO CC(=O)N1CC[C@H](Cc2nccnc2-c2c[nH+]c(C)n2C)C1 ZINC000585261134 342249045 /nfs/dbraw/zinc/24/90/45/342249045.db2.gz ITJZZCKKFPTFDW-CYBMUJFWSA-N 1 2 299.378 1.596 40 0 CDABLO Cc1ccc(OC[C@@]2(O)CC[N@H+](Cc3cnc[nH]3)C2)cc1 ZINC000585274393 342256009 /nfs/dbraw/zinc/25/60/09/342256009.db2.gz KLGOGXDPHBDGHS-MRXNPFEDSA-N 1 2 287.363 1.734 40 0 CDABLO Cc1ccc(OC[C@@]2(O)CC[N@@H+](Cc3cnc[nH]3)C2)cc1 ZINC000585274393 342256010 /nfs/dbraw/zinc/25/60/10/342256010.db2.gz KLGOGXDPHBDGHS-MRXNPFEDSA-N 1 2 287.363 1.734 40 0 CDABLO CO[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[C@@]12CCCO2 ZINC000585291002 342258846 /nfs/dbraw/zinc/25/88/46/342258846.db2.gz KFTXTXPLNHKXIN-CSDYLXSXSA-N 1 2 291.351 1.219 40 0 CDABLO COC[C@H]1CN(C(=O)c2cncc(C)c2)Cc2c[nH+]cn21 ZINC000253602944 362440492 /nfs/dbraw/zinc/44/04/92/362440492.db2.gz UDXXSVVOJQNXSK-CQSZACIVSA-N 1 2 286.335 1.430 40 0 CDABLO CCS(=O)(=O)N1CCC[C@H](c2[nH+]c(C)cn2C)C1 ZINC000205694175 348744164 /nfs/dbraw/zinc/74/41/64/348744164.db2.gz QRIWHAGDACJUAF-NSHDSACASA-N 1 2 271.386 1.258 40 0 CDABLO Nc1c[nH]nc1-c1nc2cc(C[NH+]3CCOCC3)ccc2[nH]1 ZINC000090588115 180010010 /nfs/dbraw/zinc/01/00/10/180010010.db2.gz XCASTYYLIOUMKF-UHFFFAOYSA-N 1 2 298.350 1.367 40 0 CDABLO Nc1c[nH]nc1-c1nc2ccc(C[NH+]3CCOCC3)cc2[nH]1 ZINC000090588115 180010012 /nfs/dbraw/zinc/01/00/12/180010012.db2.gz XCASTYYLIOUMKF-UHFFFAOYSA-N 1 2 298.350 1.367 40 0 CDABLO COCC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)c(F)c1 ZINC000012114998 356288433 /nfs/dbraw/zinc/28/84/33/356288433.db2.gz FNNQTPXTRUYXGO-CYBMUJFWSA-N 1 2 295.289 1.550 40 0 CDABLO COC[C@H]1Cn2cc[nH+]c2CN(C(=O)C2CC=CC2)C1 ZINC000096066809 358707620 /nfs/dbraw/zinc/70/76/20/358707620.db2.gz PKILIZRWAXEDPZ-LBPRGKRZSA-N 1 2 275.352 1.454 40 0 CDABLO CC[C@H](C)[N@H+]1Cc2c(C(=O)N3CCCC3)nn(C)c2C1 ZINC000096187547 358714994 /nfs/dbraw/zinc/71/49/94/358714994.db2.gz RWVAZOSXNYJODK-NSHDSACASA-N 1 2 276.384 1.770 40 0 CDABLO CC[C@H](C)[N@@H+]1Cc2c(C(=O)N3CCCC3)nn(C)c2C1 ZINC000096187547 358714995 /nfs/dbraw/zinc/71/49/95/358714995.db2.gz RWVAZOSXNYJODK-NSHDSACASA-N 1 2 276.384 1.770 40 0 CDABLO CC[C@H]1C[N@@H+]([C@@H](C)c2nc(N)nc(N(C)C)n2)CCS1 ZINC000072861321 358736821 /nfs/dbraw/zinc/73/68/21/358736821.db2.gz YEBKQWUTSHQSQV-UWVGGRQHSA-N 1 2 296.444 1.408 40 0 CDABLO CC[C@H]1C[N@H+]([C@@H](C)c2nc(N)nc(N(C)C)n2)CCS1 ZINC000072861321 358736824 /nfs/dbraw/zinc/73/68/24/358736824.db2.gz YEBKQWUTSHQSQV-UWVGGRQHSA-N 1 2 296.444 1.408 40 0 CDABLO CC(C)OCCC(=O)NC[C@H](C)[N@@H+]1CCOC[C@@H]1C ZINC000079002042 359905775 /nfs/dbraw/zinc/90/57/75/359905775.db2.gz CGFNSQMRRMCSSP-STQMWFEESA-N 1 2 272.389 1.027 40 0 CDABLO CC(C)OCCC(=O)NC[C@H](C)[N@H+]1CCOC[C@@H]1C ZINC000079002042 359905778 /nfs/dbraw/zinc/90/57/78/359905778.db2.gz CGFNSQMRRMCSSP-STQMWFEESA-N 1 2 272.389 1.027 40 0 CDABLO Cc1cc(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)no1 ZINC000130381925 359955754 /nfs/dbraw/zinc/95/57/54/359955754.db2.gz IRAWSXSWCLMZHH-GFCCVEGCSA-N 1 2 286.335 1.777 40 0 CDABLO Cc1cccnc1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000225510016 374580749 /nfs/dbraw/zinc/58/07/49/374580749.db2.gz BFZBFZSDEZITDO-SNVBAGLBSA-N 1 2 256.309 1.857 40 0 CDABLO Cc1cccnc1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000225510016 374580757 /nfs/dbraw/zinc/58/07/57/374580757.db2.gz BFZBFZSDEZITDO-SNVBAGLBSA-N 1 2 256.309 1.857 40 0 CDABLO c1cn2ccnc(N3CC[NH+](Cc4ccoc4)CC3)c2n1 ZINC000306137753 374970355 /nfs/dbraw/zinc/97/03/55/374970355.db2.gz RFCUBIXCVVWABZ-UHFFFAOYSA-N 1 2 283.335 1.645 40 0 CDABLO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2nnc(C)o2)C1 ZINC000225633720 375174617 /nfs/dbraw/zinc/17/46/17/375174617.db2.gz QPUVPNITBKOONZ-CQSZACIVSA-N 1 2 297.355 1.170 40 0 CDABLO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2nnc(C)o2)C1 ZINC000225633720 375174621 /nfs/dbraw/zinc/17/46/21/375174621.db2.gz QPUVPNITBKOONZ-CQSZACIVSA-N 1 2 297.355 1.170 40 0 CDABLO CCn1cc(C[NH2+]Cc2ccn(C(F)F)n2)cn1 ZINC000256051802 190003665 /nfs/dbraw/zinc/00/36/65/190003665.db2.gz KNWHIQZWVAKFMN-UHFFFAOYSA-N 1 2 255.272 1.784 40 0 CDABLO Cc1ccnc([C@H]2CCN(c3cc[nH+]c(C)n3)C2)n1 ZINC000257226651 190015213 /nfs/dbraw/zinc/01/52/13/190015213.db2.gz FLOMNCUTLGYLCI-LBPRGKRZSA-N 1 2 255.325 1.877 40 0 CDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)Cc2ccsc2)[nH+]1 ZINC000257226769 190015307 /nfs/dbraw/zinc/01/53/07/190015307.db2.gz FMAXZSAWOZKSFZ-LBPRGKRZSA-N 1 2 291.376 1.922 40 0 CDABLO CC[N@@H+]1CCO[C@@H](c2cncc(Nc3ncccn3)n2)C1 ZINC000257255084 190020957 /nfs/dbraw/zinc/02/09/57/190020957.db2.gz KGBBIQAEWAKAJP-GFCCVEGCSA-N 1 2 286.339 1.403 40 0 CDABLO CC[N@H+]1CCO[C@@H](c2cncc(Nc3ncccn3)n2)C1 ZINC000257255084 190020958 /nfs/dbraw/zinc/02/09/58/190020958.db2.gz KGBBIQAEWAKAJP-GFCCVEGCSA-N 1 2 286.339 1.403 40 0 CDABLO Cc1c[nH]c([C@H]2C[N@H+](Cc3c(C)nn(C)c3C)CCO2)n1 ZINC000257253630 190020425 /nfs/dbraw/zinc/02/04/25/190020425.db2.gz JZQYDEMVJNKGKJ-CQSZACIVSA-N 1 2 289.383 1.642 40 0 CDABLO Cc1c[nH]c([C@H]2C[N@@H+](Cc3c(C)nn(C)c3C)CCO2)n1 ZINC000257253630 190020426 /nfs/dbraw/zinc/02/04/26/190020426.db2.gz JZQYDEMVJNKGKJ-CQSZACIVSA-N 1 2 289.383 1.642 40 0 CDABLO CO[C@H]1C[N@H+](Cc2cnccn2)CC[C@@]12CCCO2 ZINC000257324905 190034260 /nfs/dbraw/zinc/03/42/60/190034260.db2.gz WQRVMRXNGOACNB-KBPBESRZSA-N 1 2 263.341 1.247 40 0 CDABLO CO[C@H]1C[N@@H+](Cc2cnccn2)CC[C@@]12CCCO2 ZINC000257324905 190034261 /nfs/dbraw/zinc/03/42/61/190034261.db2.gz WQRVMRXNGOACNB-KBPBESRZSA-N 1 2 263.341 1.247 40 0 CDABLO O=C(NCCNc1ccc2ccccc2[nH+]1)[C@H]1CCC(=O)N1 ZINC000073941131 378974170 /nfs/dbraw/zinc/97/41/70/378974170.db2.gz GHTGNLYPDZUUQX-CYBMUJFWSA-N 1 2 298.346 1.042 40 0 CDABLO O=CN1CCN(c2ccc([C@H](O)c3ccccc3)c[nH+]2)CC1 ZINC000072225593 390625679 /nfs/dbraw/zinc/62/56/79/390625679.db2.gz KQOZLVHWIAAMGZ-QGZVFWFLSA-N 1 2 297.358 1.442 40 0 CDABLO CC[C@H](O)c1ccc(N2CCN(C(C)=O)CC2)[nH+]c1 ZINC000072225634 390626116 /nfs/dbraw/zinc/62/61/16/390626116.db2.gz LCXFLVSPYWHIKF-ZDUSSCGKSA-N 1 2 263.341 1.194 40 0 CDABLO CN(C)C(=O)[C@@H]1C[N@H+](Cc2ccoc2)Cc2ncn(C)c21 ZINC000247960782 391423482 /nfs/dbraw/zinc/42/34/82/391423482.db2.gz FHTUPVXWFYTCHL-GFCCVEGCSA-N 1 2 288.351 1.201 40 0 CDABLO CN(C)C(=O)[C@@H]1C[N@@H+](Cc2ccoc2)Cc2ncn(C)c21 ZINC000247960782 391423490 /nfs/dbraw/zinc/42/34/90/391423490.db2.gz FHTUPVXWFYTCHL-GFCCVEGCSA-N 1 2 288.351 1.201 40 0 CDABLO Cc1c[nH]c([C@@H]2CCN(S(=O)(=O)C(C)C)C2)[nH+]1 ZINC000257322621 391649959 /nfs/dbraw/zinc/64/99/59/391649959.db2.gz WGSAFXGVJOOSRX-SNVBAGLBSA-N 1 2 257.359 1.246 40 0 CDABLO COc1c(C)[nH+]cnc1N1CCC[C@H](CS(C)(=O)=O)C1 ZINC000656191183 413085365 /nfs/dbraw/zinc/08/53/65/413085365.db2.gz OJIKUWJEVIQXPH-NSHDSACASA-N 1 2 299.396 1.055 40 0 CDABLO S=C(NCCCn1cc[nH+]c1)NCc1ccccc1 ZINC000007502188 170287572 /nfs/dbraw/zinc/28/75/72/170287572.db2.gz ICBLUJDLLZTRDH-UHFFFAOYSA-N 1 2 274.393 1.938 40 0 CDABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)C2CCOCC2)[nH+]1 ZINC000257282801 302317694 /nfs/dbraw/zinc/31/76/94/302317694.db2.gz OVJIWRKBIHWDPD-ZDUSSCGKSA-N 1 2 277.368 1.819 40 0 CDABLO O=C1NCC[C@@]12C[N@@H+](CC1=CCCOC1)CC(F)(F)C2 ZINC000585093301 342210924 /nfs/dbraw/zinc/21/09/24/342210924.db2.gz OIOWBYCHBAKZPZ-CYBMUJFWSA-N 1 2 286.322 1.180 40 0 CDABLO O=C1NCC[C@@]12C[N@H+](CC1=CCCOC1)CC(F)(F)C2 ZINC000585093301 342210925 /nfs/dbraw/zinc/21/09/25/342210925.db2.gz OIOWBYCHBAKZPZ-CYBMUJFWSA-N 1 2 286.322 1.180 40 0 CDABLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)c1cnco1 ZINC000585182296 342232727 /nfs/dbraw/zinc/23/27/27/342232727.db2.gz BAQNPBLJNIQHDM-NSHDSACASA-N 1 2 272.308 1.468 40 0 CDABLO O=C([C@H]1CN(Cc2ccoc2)Cc2c[nH+]cn21)N1CCC1 ZINC000247805008 362132481 /nfs/dbraw/zinc/13/24/81/362132481.db2.gz AGSCOCFDRKSIDD-CQSZACIVSA-N 1 2 286.335 1.265 40 0 CDABLO C[N@H+](Cc1nc(CC(F)(F)F)no1)C1(CO)CC1 ZINC000331450316 362255794 /nfs/dbraw/zinc/25/57/94/362255794.db2.gz GUWZEDXMFVZTKV-UHFFFAOYSA-N 1 2 265.235 1.131 40 0 CDABLO C[N@@H+](Cc1nc(CC(F)(F)F)no1)C1(CO)CC1 ZINC000331450316 362255799 /nfs/dbraw/zinc/25/57/99/362255799.db2.gz GUWZEDXMFVZTKV-UHFFFAOYSA-N 1 2 265.235 1.131 40 0 CDABLO Cc1ccsc1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000108529812 186222352 /nfs/dbraw/zinc/22/23/52/186222352.db2.gz AZPPZUSZOKBMTN-RYUDHWBXSA-N 1 2 280.393 1.602 40 0 CDABLO Cc1ccsc1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000108529812 186222353 /nfs/dbraw/zinc/22/23/53/186222353.db2.gz AZPPZUSZOKBMTN-RYUDHWBXSA-N 1 2 280.393 1.602 40 0 CDABLO CC(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000080761851 351422394 /nfs/dbraw/zinc/42/23/94/351422394.db2.gz IAFOAZWXKROOLZ-UHFFFAOYSA-N 1 2 273.258 1.769 40 0 CDABLO C[NH+]1CCN(C(=O)c2cc(Br)cs2)CC1 ZINC000074952280 366080859 /nfs/dbraw/zinc/08/08/59/366080859.db2.gz RLDJLBQBPDUJDN-UHFFFAOYSA-N 1 2 289.198 1.898 40 0 CDABLO CN1CCN(C(=O)C2CCOCC2)Cc2ccc[nH+]c21 ZINC000096060925 282889686 /nfs/dbraw/zinc/88/96/86/282889686.db2.gz DYNKYDNSIJHPEI-UHFFFAOYSA-N 1 2 275.352 1.287 40 0 CDABLO Cn1c(C[N@H+](C)CCc2ccccn2)nnc1C1CC1 ZINC000075008195 366163977 /nfs/dbraw/zinc/16/39/77/366163977.db2.gz UNPZMHMJABYIPI-UHFFFAOYSA-N 1 2 271.368 1.762 40 0 CDABLO Cn1c(C[N@@H+](C)CCc2ccccn2)nnc1C1CC1 ZINC000075008195 366163985 /nfs/dbraw/zinc/16/39/85/366163985.db2.gz UNPZMHMJABYIPI-UHFFFAOYSA-N 1 2 271.368 1.762 40 0 CDABLO CNc1nc([C@H]2CCCCN2C)nc2c1CC[N@H+](C)C2 ZINC000072376537 357831307 /nfs/dbraw/zinc/83/13/07/357831307.db2.gz SRCFMXWSCJMFJT-CYBMUJFWSA-N 1 2 275.400 1.663 40 0 CDABLO CNc1nc([C@H]2CCCCN2C)nc2c1CC[N@@H+](C)C2 ZINC000072376537 357831312 /nfs/dbraw/zinc/83/13/12/357831312.db2.gz SRCFMXWSCJMFJT-CYBMUJFWSA-N 1 2 275.400 1.663 40 0 CDABLO O=C(CC1CC1)N1Cc2[nH+]ccn2C[C@@H](Cn2cccn2)C1 ZINC000096188582 358715046 /nfs/dbraw/zinc/71/50/46/358715046.db2.gz HEUKMGJTKQVVBW-CQSZACIVSA-N 1 2 299.378 1.538 40 0 CDABLO CN(C)C(=O)C[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181567082 189301280 /nfs/dbraw/zinc/30/12/80/189301280.db2.gz VPOZXNATFMYTDH-CQSZACIVSA-N 1 2 262.353 1.018 40 0 CDABLO CN(C)C(=O)C[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181567082 189301281 /nfs/dbraw/zinc/30/12/81/189301281.db2.gz VPOZXNATFMYTDH-CQSZACIVSA-N 1 2 262.353 1.018 40 0 CDABLO C[NH+](C)CC[NH2+]Cc1cn(CC(=O)[O-])c2ccccc12 ZINC000062718618 374168588 /nfs/dbraw/zinc/16/85/88/374168588.db2.gz GZYUPOJRYDYTEG-UHFFFAOYSA-N 1 2 275.352 1.377 40 0 CDABLO c1nn(-c2ccccc2)c2nc[nH+]c(Nn3cnnc3)c12 ZINC000003188057 375578167 /nfs/dbraw/zinc/57/81/67/375578167.db2.gz GDNYTQOHXVRYNU-UHFFFAOYSA-N 1 2 278.279 1.282 40 0 CDABLO Cn1ccc(C[NH2+]Cc2cnn(C)c2C(F)(F)F)n1 ZINC000256050419 190003167 /nfs/dbraw/zinc/00/31/67/190003167.db2.gz DYWKHXZZBRKOSH-UHFFFAOYSA-N 1 2 273.262 1.462 40 0 CDABLO CC(=O)N1CC[N@H+](Cc2cnccn2)C[C@H]1c1ccccc1 ZINC000257254404 190021117 /nfs/dbraw/zinc/02/11/17/190021117.db2.gz KCXUQIXGLJGKQQ-KRWDZBQOSA-N 1 2 296.374 1.882 40 0 CDABLO CC(=O)N1CC[N@@H+](Cc2cnccn2)C[C@H]1c1ccccc1 ZINC000257254404 190021118 /nfs/dbraw/zinc/02/11/18/190021118.db2.gz KCXUQIXGLJGKQQ-KRWDZBQOSA-N 1 2 296.374 1.882 40 0 CDABLO CCS(=O)(=O)N1CCC[C@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257281146 190026358 /nfs/dbraw/zinc/02/63/58/190026358.db2.gz ONVQCQKZBGMORQ-JTQLQIEISA-N 1 2 257.359 1.247 40 0 CDABLO Cc1cc(C)n(CC(=O)N2CCC[C@@H]2c2[nH]cc(C)[nH+]2)n1 ZINC000257288870 190027304 /nfs/dbraw/zinc/02/73/04/190027304.db2.gz PWAMLZYYEJFLMY-CYBMUJFWSA-N 1 2 287.367 1.895 40 0 CDABLO Cc1c[nH]c([C@H]2CCCN2C(=O)CCc2ccnn2C)[nH+]1 ZINC000257328291 190034750 /nfs/dbraw/zinc/03/47/50/190034750.db2.gz XFAOFERQXKKZNK-CYBMUJFWSA-N 1 2 287.367 1.748 40 0 CDABLO CCc1cc(C(=O)N2CC[C@@H](c3[nH+]c(C)cn3C)C2)no1 ZINC000257334832 190036417 /nfs/dbraw/zinc/03/64/17/190036417.db2.gz YHNHSVOUKJNJJL-LLVKDONJSA-N 1 2 288.351 1.909 40 0 CDABLO Cc1cnc([C@@H]2CN(Cc3c[nH+]c[nH]3)CCO2)cn1 ZINC000257336306 190036515 /nfs/dbraw/zinc/03/65/15/190036515.db2.gz YNVRAUNQNKFPLO-ZDUSSCGKSA-N 1 2 259.313 1.082 40 0 CDABLO Cc1cnc([C@@H]2CN(Cc3c[nH]c[nH+]3)CCO2)cn1 ZINC000257336306 190036516 /nfs/dbraw/zinc/03/65/16/190036516.db2.gz YNVRAUNQNKFPLO-ZDUSSCGKSA-N 1 2 259.313 1.082 40 0 CDABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3cc(C)on3)C2)[nH+]1 ZINC000257335812 190036719 /nfs/dbraw/zinc/03/67/19/190036719.db2.gz YLZRUOMVHDZCQP-JTQLQIEISA-N 1 2 260.297 1.644 40 0 CDABLO CCOC(=O)CCN(CCC(=O)OCC)c1cccc[nH+]1 ZINC000001577606 390138972 /nfs/dbraw/zinc/13/89/72/390138972.db2.gz NTQWKAMEJMVDSR-UHFFFAOYSA-N 1 2 294.351 1.794 40 0 CDABLO c1ccc(CN2CC[NH+](Cc3ccccn3)CC2)nc1 ZINC000019359198 170776888 /nfs/dbraw/zinc/77/68/88/170776888.db2.gz BYEDFHASFRIIDU-UHFFFAOYSA-N 1 2 268.364 1.794 40 0 CDABLO CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@@H]2[NH2+][C@@H]2C1 ZINC000038392952 174140907 /nfs/dbraw/zinc/14/09/07/174140907.db2.gz HPKPKUHYXGQYRO-JHJVBQTASA-N 1 2 253.342 1.794 40 0 CDABLO NC(=O)C[N@@H+]1CCC[C@H](c2cc3ccccc3c(=O)[nH]2)C1 ZINC000072367847 176382115 /nfs/dbraw/zinc/38/21/15/176382115.db2.gz ZUEBUEIPZZDFQG-LBPRGKRZSA-N 1 2 285.347 1.605 40 0 CDABLO NC(=O)C[N@H+]1CCC[C@H](c2cc3ccccc3c(=O)[nH]2)C1 ZINC000072367847 176382116 /nfs/dbraw/zinc/38/21/16/176382116.db2.gz ZUEBUEIPZZDFQG-LBPRGKRZSA-N 1 2 285.347 1.605 40 0 CDABLO CCOC(=O)C1CCC2(CC1)NC(=O)[C@@H]1CCCC[N@H+]12 ZINC000078759100 177382874 /nfs/dbraw/zinc/38/28/74/177382874.db2.gz DNCHZGLTNNLQPX-AVERBVTBSA-N 1 2 280.368 1.420 40 0 CDABLO CCOC(=O)C1CCC2(CC1)NC(=O)[C@@H]1CCCC[N@@H+]12 ZINC000078759100 177382876 /nfs/dbraw/zinc/38/28/76/177382876.db2.gz DNCHZGLTNNLQPX-AVERBVTBSA-N 1 2 280.368 1.420 40 0 CDABLO COc1ccccc1CN1Cc2[nH+]cn(C)c2C[C@@H]1CO ZINC000585094537 342211229 /nfs/dbraw/zinc/21/12/29/342211229.db2.gz ALDGYRWWPLHYGB-CYBMUJFWSA-N 1 2 287.363 1.348 40 0 CDABLO O=C(NCCCn1cc[nH+]c1)c1ccc(-n2cccn2)cc1 ZINC000247449266 362112651 /nfs/dbraw/zinc/11/26/51/362112651.db2.gz ZFYYEKLUCXKWLJ-UHFFFAOYSA-N 1 2 295.346 1.889 40 0 CDABLO CCn1nc(N)cc1C[N@H+](C)CCC(F)(F)F ZINC000408715953 365728552 /nfs/dbraw/zinc/72/85/52/365728552.db2.gz HDJILMHQJHNLCJ-UHFFFAOYSA-N 1 2 250.268 1.700 40 0 CDABLO CCn1nc(N)cc1C[N@@H+](C)CCC(F)(F)F ZINC000408715953 365728556 /nfs/dbraw/zinc/72/85/56/365728556.db2.gz HDJILMHQJHNLCJ-UHFFFAOYSA-N 1 2 250.268 1.700 40 0 CDABLO Cc1nnc([C@H](C)N2CC[NH+](Cc3ccco3)CC2)[nH]1 ZINC000332086249 362379642 /nfs/dbraw/zinc/37/96/42/362379642.db2.gz GSDKCLDPJDMUIT-NSHDSACASA-N 1 2 275.356 1.585 40 0 CDABLO CN(CCc1ccccc1)C(=O)[C@H]1C[NH2+]Cc2cn[nH]c21 ZINC000019701815 356496184 /nfs/dbraw/zinc/49/61/84/356496184.db2.gz STWMARMCEVRUAT-AWEZNQCLSA-N 1 2 284.363 1.298 40 0 CDABLO CCOC(=O)[C@@H]1C[N@H+](C)C[C@H](c2ccccc2)C1=O ZINC000095080487 358675773 /nfs/dbraw/zinc/67/57/73/358675773.db2.gz QEOPBMMDULTMSH-CHWSQXEVSA-N 1 2 261.321 1.464 40 0 CDABLO CCOC(=O)[C@@H]1C[N@@H+](C)C[C@H](c2ccccc2)C1=O ZINC000095080487 358675774 /nfs/dbraw/zinc/67/57/74/358675774.db2.gz QEOPBMMDULTMSH-CHWSQXEVSA-N 1 2 261.321 1.464 40 0 CDABLO COC[C@H]1Cn2cc[nH+]c2CN(C(=O)N2CCCC2)C1 ZINC000096187785 358715185 /nfs/dbraw/zinc/71/51/85/358715185.db2.gz CBLIPDKVCUMMCS-LBPRGKRZSA-N 1 2 278.356 1.177 40 0 CDABLO C[NH+]1CCN(C(=O)c2cnn(Cc3ccccc3)c2)CC1 ZINC000101615403 358854843 /nfs/dbraw/zinc/85/48/43/358854843.db2.gz GPKWZEIFGVXYTN-UHFFFAOYSA-N 1 2 284.363 1.319 40 0 CDABLO O=C([O-])C[C@@H]1CC[NH2+]C[C@@H]1Cc1[nH]c2ccccc2[nH+]1 ZINC000514289455 360119759 /nfs/dbraw/zinc/11/97/59/360119759.db2.gz LHKVSYWWSWWUJF-QWRGUYRKSA-N 1 2 273.336 1.806 40 0 biogenic,in-vitro CDABLO CC(C)OCCCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000225508901 374580330 /nfs/dbraw/zinc/58/03/30/374580330.db2.gz VLHKVBXJNWFIKC-NSHDSACASA-N 1 2 265.357 1.446 40 0 CDABLO CC(C)OCCCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000225508901 374580336 /nfs/dbraw/zinc/58/03/36/374580336.db2.gz VLHKVBXJNWFIKC-NSHDSACASA-N 1 2 265.357 1.446 40 0 CDABLO Cc1cc(C[NH2+]Cc2ccn(CCF)n2)n(C)n1 ZINC000256054800 190005440 /nfs/dbraw/zinc/00/54/40/190005440.db2.gz XVWMURUDIZJRPQ-UHFFFAOYSA-N 1 2 251.309 1.184 40 0 CDABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2cnccn2)[nH+]1 ZINC000257279838 190025856 /nfs/dbraw/zinc/02/58/56/190025856.db2.gz OIJWVRUHKYCMAF-NSHDSACASA-N 1 2 257.297 1.485 40 0 CDABLO CCCn1cc(C[N@@H+]2CCO[C@H](c3nc(C)c[nH]3)C2)cn1 ZINC000257320084 190033381 /nfs/dbraw/zinc/03/33/81/190033381.db2.gz VVHZWVBCLPGQQF-AWEZNQCLSA-N 1 2 289.383 1.898 40 0 CDABLO CCCn1cc(C[N@H+]2CCO[C@H](c3nc(C)c[nH]3)C2)cn1 ZINC000257320084 190033382 /nfs/dbraw/zinc/03/33/82/190033382.db2.gz VVHZWVBCLPGQQF-AWEZNQCLSA-N 1 2 289.383 1.898 40 0 CDABLO Cc1nc[nH]c1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000257325114 190034179 /nfs/dbraw/zinc/03/41/79/190034179.db2.gz WRNGRVYYCWAWDP-GFCCVEGCSA-N 1 2 257.341 1.888 40 0 CDABLO Cc1nc[nH]c1C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000257325114 190034180 /nfs/dbraw/zinc/03/41/80/190034180.db2.gz WRNGRVYYCWAWDP-GFCCVEGCSA-N 1 2 257.341 1.888 40 0 CDABLO Cc1ccc(CNc2[nH+]cnc3c2NC(=O)CN3)o1 ZINC000041121689 379334060 /nfs/dbraw/zinc/33/40/60/379334060.db2.gz BKNLVJJIAWHBLD-UHFFFAOYSA-N 1 2 259.269 1.354 40 0 CDABLO Cc1ccc(CNc2nc[nH+]c3c2NC(=O)CN3)o1 ZINC000041121689 379334067 /nfs/dbraw/zinc/33/40/67/379334067.db2.gz BKNLVJJIAWHBLD-UHFFFAOYSA-N 1 2 259.269 1.354 40 0 CDABLO CC(=O)N1CCC[C@H]1c1ccc(N2CCOCC2)[nH+]c1 ZINC000072216156 390621363 /nfs/dbraw/zinc/62/13/63/390621363.db2.gz NCLJNBPURGSVCK-AWEZNQCLSA-N 1 2 275.352 1.602 40 0 CDABLO CC[C@H](Oc1ccc(C)cc1)C(=O)N1CC[NH+](C)CC1 ZINC000008041333 170316071 /nfs/dbraw/zinc/31/60/71/170316071.db2.gz BGOGXVSNBWYANM-HNNXBMFYSA-N 1 2 276.380 1.926 40 0 CDABLO CCOc1ccccc1OC[C@H]1C[N@H+](C)CCO1 ZINC000077311388 177251229 /nfs/dbraw/zinc/25/12/29/177251229.db2.gz VZKFJMVFJRJATA-GFCCVEGCSA-N 1 2 251.326 1.795 40 0 in-vitro CDABLO CCOc1ccccc1OC[C@H]1C[N@@H+](C)CCO1 ZINC000077311388 177251231 /nfs/dbraw/zinc/25/12/31/177251231.db2.gz VZKFJMVFJRJATA-GFCCVEGCSA-N 1 2 251.326 1.795 40 0 in-vitro CDABLO C[C@@H]1C[NH+]=C(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)S1 ZINC000015083151 297101522 /nfs/dbraw/zinc/10/15/22/297101522.db2.gz UQITVYXHQXOXLF-UTUOFQBUSA-N 1 2 289.404 1.759 40 0 CDABLO O[C@@H](C[N@@H+]1CCC[C@H]1c1nnc[nH]1)c1ccccc1 ZINC000931136532 683948634 /nfs/dbraw/zinc/94/86/34/683948634.db2.gz LUWLQOBLQFQFJW-STQMWFEESA-N 1 2 258.325 1.675 40 0 CDABLO O[C@@H](C[N@H+]1CCC[C@H]1c1nnc[nH]1)c1ccccc1 ZINC000931136532 683948641 /nfs/dbraw/zinc/94/86/41/683948641.db2.gz LUWLQOBLQFQFJW-STQMWFEESA-N 1 2 258.325 1.675 40 0 CDABLO CNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21 ZINC000585111647 342213438 /nfs/dbraw/zinc/21/34/38/342213438.db2.gz DYHQBRFXFCITMW-OAHLLOKOSA-N 1 2 284.363 1.576 40 0 CDABLO CNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21 ZINC000585111647 342213439 /nfs/dbraw/zinc/21/34/39/342213439.db2.gz DYHQBRFXFCITMW-OAHLLOKOSA-N 1 2 284.363 1.576 40 0 CDABLO CC(=O)N1CC[C@H](Cc2cccc(-c3c[nH+]cn3C)n2)C1 ZINC000585261152 342248966 /nfs/dbraw/zinc/24/89/66/342248966.db2.gz UMHIADACFHCTQV-CYBMUJFWSA-N 1 2 284.363 1.893 40 0 CDABLO COCCOCC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000079045054 362164762 /nfs/dbraw/zinc/16/47/62/362164762.db2.gz SSRHPXHPLPPCKA-UHFFFAOYSA-N 1 2 275.308 1.678 40 0 CDABLO Cn1cc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)nn1 ZINC000332460609 362542626 /nfs/dbraw/zinc/54/26/26/362542626.db2.gz IYLATWHLCJXVED-OAHLLOKOSA-N 1 2 294.399 1.365 40 0 CDABLO O=c1ccc(-c2ccc(-n3cc[nH+]c3)cc2)nn1CCO ZINC000013222787 356341003 /nfs/dbraw/zinc/34/10/03/356341003.db2.gz AAVUSVRIMQSDMX-UHFFFAOYSA-N 1 2 282.303 1.088 40 0 CDABLO Nc1nc(N)c(N)c(Nc2ccc(Cl)cc2)[nH+]1 ZINC000013283595 356341619 /nfs/dbraw/zinc/34/16/19/356341619.db2.gz LTPPOETXZYDGBT-UHFFFAOYSA-N 1 2 250.693 1.620 40 0 CDABLO Nc1nc(Nc2ccc(Cl)cc2)c(N)c(N)[nH+]1 ZINC000013283595 356341623 /nfs/dbraw/zinc/34/16/23/356341623.db2.gz LTPPOETXZYDGBT-UHFFFAOYSA-N 1 2 250.693 1.620 40 0 CDABLO Cc1nc2c(c(NCCCOC(C)C)n1)C[N@H+](C)CC2 ZINC000019286267 356479667 /nfs/dbraw/zinc/47/96/67/356479667.db2.gz PISPECZOZBPAAX-UHFFFAOYSA-N 1 2 278.400 2.000 40 0 CDABLO Cc1nc2c(c(NCCCOC(C)C)n1)C[N@@H+](C)CC2 ZINC000019286267 356479671 /nfs/dbraw/zinc/47/96/71/356479671.db2.gz PISPECZOZBPAAX-UHFFFAOYSA-N 1 2 278.400 2.000 40 0 CDABLO O=C(NC1CC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000019913222 358220364 /nfs/dbraw/zinc/22/03/64/358220364.db2.gz DDGILAGPWDXUCF-UHFFFAOYSA-N 1 2 260.337 1.411 40 0 CDABLO COc1ccc(Cc2nc(SCC[NH3+])n[nH]2)cc1OC ZINC000224979021 359541132 /nfs/dbraw/zinc/54/11/32/359541132.db2.gz JVCXUPJHJUCVLK-UHFFFAOYSA-N 1 2 294.380 1.464 40 0 CDABLO C/C=C/C=C/C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000073118271 360273955 /nfs/dbraw/zinc/27/39/55/360273955.db2.gz JFAAYJJBLJHMJY-KVOZUEDISA-N 1 2 279.409 1.754 40 0 CDABLO Cn1cc([C@H]2CN(C(=O)OC(C)(C)C)CC[NH2+]2)cn1 ZINC000095348276 294299274 /nfs/dbraw/zinc/29/92/74/294299274.db2.gz QHVMMVTUNRJUHT-LLVKDONJSA-N 1 2 266.345 1.302 40 0 CDABLO O=C(NCc1cccnc1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000225509463 374581608 /nfs/dbraw/zinc/58/16/08/374581608.db2.gz JGCPJNDGDXFHSB-LLVKDONJSA-N 1 2 256.309 1.226 40 0 CDABLO O=C(NCc1cccnc1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000225509463 374581611 /nfs/dbraw/zinc/58/16/11/374581611.db2.gz JGCPJNDGDXFHSB-LLVKDONJSA-N 1 2 256.309 1.226 40 0 CDABLO c1cc2n(n1)[C@H](COc1ncccn1)C[N@@H+](C1CCC1)C2 ZINC000306138471 374969546 /nfs/dbraw/zinc/96/95/46/374969546.db2.gz RYKMQEIBBPXNJT-AWEZNQCLSA-N 1 2 285.351 1.661 40 0 CDABLO c1cc2n(n1)[C@H](COc1ncccn1)C[N@H+](C1CCC1)C2 ZINC000306138471 374969551 /nfs/dbraw/zinc/96/95/51/374969551.db2.gz RYKMQEIBBPXNJT-AWEZNQCLSA-N 1 2 285.351 1.661 40 0 CDABLO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccncc1 ZINC000131076044 375163403 /nfs/dbraw/zinc/16/34/03/375163403.db2.gz BUIKHUKMHVPBBL-UHFFFAOYSA-N 1 2 258.325 1.864 40 0 CDABLO Cc1cnn(C)c1C[NH2+]Cc1ccn(C(F)F)n1 ZINC000256051620 190003688 /nfs/dbraw/zinc/00/36/88/190003688.db2.gz JXHQDAHXWYGOFS-UHFFFAOYSA-N 1 2 255.272 1.610 40 0 CDABLO CCn1nccc1C[NH2+]Cc1ccn(C(F)F)n1 ZINC000256051380 190004001 /nfs/dbraw/zinc/00/40/01/190004001.db2.gz IYECOPVARBMZKM-UHFFFAOYSA-N 1 2 255.272 1.784 40 0 CDABLO O=C(CCn1cc[nH+]c1)N1CCC(c2cnccn2)CC1 ZINC000257244036 190019379 /nfs/dbraw/zinc/01/93/79/190019379.db2.gz IJOPHBRSEZCNKZ-UHFFFAOYSA-N 1 2 285.351 1.469 40 0 CDABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)[nH+]1 ZINC000257256999 190021550 /nfs/dbraw/zinc/02/15/50/190021550.db2.gz KNQYJXROYRYOHL-LLVKDONJSA-N 1 2 273.340 1.471 40 0 CDABLO Cc1c[nH]c([C@H]2C[N@H+](Cc3ccccn3)CCO2)n1 ZINC000257281678 190025913 /nfs/dbraw/zinc/02/59/13/190025913.db2.gz OQLKYSHDVKBWRY-CYBMUJFWSA-N 1 2 258.325 1.687 40 0 CDABLO Cc1c[nH]c([C@H]2C[N@@H+](Cc3ccccn3)CCO2)n1 ZINC000257281678 190025914 /nfs/dbraw/zinc/02/59/14/190025914.db2.gz OQLKYSHDVKBWRY-CYBMUJFWSA-N 1 2 258.325 1.687 40 0 CDABLO Cc1cc(C)n(CC(=O)N2CCC[C@H]2c2[nH]cc(C)[nH+]2)n1 ZINC000257288871 190026855 /nfs/dbraw/zinc/02/68/55/190026855.db2.gz PWAMLZYYEJFLMY-ZDUSSCGKSA-N 1 2 287.367 1.895 40 0 CDABLO OCC[N@@H+]1CCO[C@@H](Cc2ccccc2Cl)C1 ZINC000257300705 190029509 /nfs/dbraw/zinc/02/95/09/190029509.db2.gz RVJOHDBFEPINBE-LBPRGKRZSA-N 1 2 255.745 1.576 40 0 CDABLO OCC[N@H+]1CCO[C@@H](Cc2ccccc2Cl)C1 ZINC000257300705 190029510 /nfs/dbraw/zinc/02/95/10/190029510.db2.gz RVJOHDBFEPINBE-LBPRGKRZSA-N 1 2 255.745 1.576 40 0 CDABLO CNc1cccc([C@H]2CN(Cc3[nH+]ccn3C)CCO2)n1 ZINC000257344891 190037627 /nfs/dbraw/zinc/03/76/27/190037627.db2.gz ZZBIEXGULODPKL-CYBMUJFWSA-N 1 2 287.367 1.430 40 0 CDABLO COc1ccc(-c2cnc3c(C(=[NH2+])NO)cnn3c2)cc1 ZINC000040435161 174261014 /nfs/dbraw/zinc/26/10/14/174261014.db2.gz PWAUHEWQNAZUMP-UHFFFAOYSA-N 1 2 283.291 1.709 40 0 CDABLO Cc1cc(C)nc([C@@H]2CC[N@@H+](Cc3nccn3C)C2)n1 ZINC000072369727 176383948 /nfs/dbraw/zinc/38/39/48/176383948.db2.gz MUXGYWRUHUQFCK-CYBMUJFWSA-N 1 2 271.368 1.816 40 0 CDABLO Cc1cc(C)nc([C@@H]2CC[N@H+](Cc3nccn3C)C2)n1 ZINC000072369727 176383949 /nfs/dbraw/zinc/38/39/49/176383949.db2.gz MUXGYWRUHUQFCK-CYBMUJFWSA-N 1 2 271.368 1.816 40 0 CDABLO NC(=O)C[N@@H+]1CCC[C@H]1c1ccnc(-c2ccccn2)n1 ZINC000072379438 176386666 /nfs/dbraw/zinc/38/66/66/176386666.db2.gz BDEWZWPQDHYGMQ-ZDUSSCGKSA-N 1 2 283.335 1.161 40 0 CDABLO NC(=O)C[N@H+]1CCC[C@H]1c1ccnc(-c2ccccn2)n1 ZINC000072379438 176386667 /nfs/dbraw/zinc/38/66/67/176386667.db2.gz BDEWZWPQDHYGMQ-ZDUSSCGKSA-N 1 2 283.335 1.161 40 0 CDABLO CN(C)C(=O)[C@@H]1C[C@@H]2CC[N@H+](Cc3nccs3)C[C@@H]2O1 ZINC000096040976 185069431 /nfs/dbraw/zinc/06/94/31/185069431.db2.gz DMKCAYFXAMYEOR-SRVKXCTJSA-N 1 2 295.408 1.211 40 0 CDABLO CN(C)C(=O)[C@@H]1C[C@@H]2CC[N@@H+](Cc3nccs3)C[C@@H]2O1 ZINC000096040976 185069432 /nfs/dbraw/zinc/06/94/32/185069432.db2.gz DMKCAYFXAMYEOR-SRVKXCTJSA-N 1 2 295.408 1.211 40 0 CDABLO C[C@@](CO)(c1ccccc1Cl)[NH+]1CCOCC1 ZINC000070453430 361972393 /nfs/dbraw/zinc/97/23/93/361972393.db2.gz LKBQOIPZGNUHII-CYBMUJFWSA-N 1 2 255.745 1.880 40 0 CDABLO C[C@](CO)(c1ccccc1Cl)[NH+]1CCOCC1 ZINC000070453431 361972885 /nfs/dbraw/zinc/97/28/85/361972885.db2.gz LKBQOIPZGNUHII-ZDUSSCGKSA-N 1 2 255.745 1.880 40 0 CDABLO Cc1c[nH]c([C@@H]2CN(c3cc[nH+]c(C)n3)CCO2)n1 ZINC000585181439 342232644 /nfs/dbraw/zinc/23/26/44/342232644.db2.gz QCVUPZYKCPTVFP-NSHDSACASA-N 1 2 259.313 1.394 40 0 CDABLO CNc1cc([C@H]2CCC[N@@H+]2Cc2ccn(C)n2)ccn1 ZINC000585181502 342232721 /nfs/dbraw/zinc/23/27/21/342232721.db2.gz RIMLACXIZDJZQB-CQSZACIVSA-N 1 2 271.368 1.616 40 0 CDABLO CNc1cc([C@H]2CCC[N@H+]2Cc2ccn(C)n2)ccn1 ZINC000585181502 342232722 /nfs/dbraw/zinc/23/27/22/342232722.db2.gz RIMLACXIZDJZQB-CQSZACIVSA-N 1 2 271.368 1.616 40 0 CDABLO O=C(Cn1cccn1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000131235418 136388903 /nfs/dbraw/zinc/38/89/03/136388903.db2.gz ZJHRGCDIPJRPON-CYBMUJFWSA-N 1 2 285.351 1.063 40 0 CDABLO Cc1[nH]c(=O)[nH]c1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000013216420 356340746 /nfs/dbraw/zinc/34/07/46/356340746.db2.gz GTLADJHSFQKGDS-UHFFFAOYSA-N 1 2 268.276 1.428 40 0 CDABLO Cn1c2ccc(NC(=O)CCn3cc[nH+]c3)cc2n(C)c1=O ZINC000019289811 356479648 /nfs/dbraw/zinc/47/96/48/356479648.db2.gz KNLDZDMEJCWFBX-UHFFFAOYSA-N 1 2 299.334 1.102 40 0 CDABLO COC(=O)[C@H](Cc1cccc(N)[nH+]1)C(=O)OC(C)(C)C ZINC000071620991 357767907 /nfs/dbraw/zinc/76/79/07/357767907.db2.gz XUXAQTMWUOWAGQ-JTQLQIEISA-N 1 2 280.324 1.337 40 0 CDABLO c1cn([C@H]2CO[C@@]3(C2)CCCN(c2ncccn2)C3)c[nH+]1 ZINC000107731418 359027892 /nfs/dbraw/zinc/02/78/92/359027892.db2.gz RWBDHZRCUVBBBH-UKRRQHHQSA-N 1 2 285.351 1.674 40 0 CDABLO CCNC(=S)N1CC[NH+](Cc2ccccn2)CC1 ZINC000225225886 359561501 /nfs/dbraw/zinc/56/15/01/359561501.db2.gz YSCWZBKDQZSOQK-UHFFFAOYSA-N 1 2 264.398 1.094 40 0 CDABLO Cn1ccc(N2CCC[C@H]([N@H+](C)Cc3ccoc3)C2=O)n1 ZINC000331798178 204173199 /nfs/dbraw/zinc/17/31/99/204173199.db2.gz WOMCQIDSQYLEOO-ZDUSSCGKSA-N 1 2 288.351 1.641 40 0 CDABLO Cn1ccc(N2CCC[C@H]([N@@H+](C)Cc3ccoc3)C2=O)n1 ZINC000331798178 204173203 /nfs/dbraw/zinc/17/32/03/204173203.db2.gz WOMCQIDSQYLEOO-ZDUSSCGKSA-N 1 2 288.351 1.641 40 0 CDABLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccncc1)C2 ZINC000225518032 374648789 /nfs/dbraw/zinc/64/87/89/374648789.db2.gz WUZZMOLXDHVKHM-SNVBAGLBSA-N 1 2 256.309 1.857 40 0 CDABLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccncc1)CC2 ZINC000225518032 374648795 /nfs/dbraw/zinc/64/87/95/374648795.db2.gz WUZZMOLXDHVKHM-SNVBAGLBSA-N 1 2 256.309 1.857 40 0 CDABLO CC[C@H](C)CC(=O)N1CC[NH+]([C@H](C)C(=O)NC(C)C)CC1 ZINC000225629769 375174678 /nfs/dbraw/zinc/17/46/78/375174678.db2.gz CCJDANGJZKDFFN-UONOGXRCSA-N 1 2 297.443 1.480 40 0 CDABLO Cc1c[nH]c([C@H]2CCN(S(=O)(=O)c3ccccc3)C2)[nH+]1 ZINC000257202071 190011080 /nfs/dbraw/zinc/01/10/80/190011080.db2.gz AKIBVZQMFDTXOZ-LBPRGKRZSA-N 1 2 291.376 1.896 40 0 CDABLO CCn1cc(C(=O)N2CC[C@@H](c3[nH+]c(C)cn3C)C2)cn1 ZINC000257206499 190011900 /nfs/dbraw/zinc/01/19/00/190011900.db2.gz BDTIWHUMYIFCQS-GFCCVEGCSA-N 1 2 287.367 1.575 40 0 CDABLO Fc1ccccc1OCCc1cc([C@H]2C[NH2+]CCO2)n[nH]1 ZINC000257289949 190027629 /nfs/dbraw/zinc/02/76/29/190027629.db2.gz QAWMXMCHYAATJI-OAHLLOKOSA-N 1 2 291.326 1.831 40 0 CDABLO CNc1cc([C@@H]2CCCN2C(=O)Cn2cc(C)cn2)cc[nH+]1 ZINC000257303648 190030377 /nfs/dbraw/zinc/03/03/77/190030377.db2.gz SIBJZHFNUXZPGQ-AWEZNQCLSA-N 1 2 299.378 1.992 40 0 CDABLO Cc1ccnc([C@H]2CN(Cc3c[nH+]c[nH]3)CCO2)n1 ZINC000257318547 190033524 /nfs/dbraw/zinc/03/35/24/190033524.db2.gz VOJHELKVEYCYAU-GFCCVEGCSA-N 1 2 259.313 1.082 40 0 CDABLO Cc1ccnc([C@H]2CN(Cc3c[nH]c[nH+]3)CCO2)n1 ZINC000257318547 190033525 /nfs/dbraw/zinc/03/35/25/190033525.db2.gz VOJHELKVEYCYAU-GFCCVEGCSA-N 1 2 259.313 1.082 40 0 CDABLO Cc1ccoc1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000108526328 390613144 /nfs/dbraw/zinc/61/31/44/390613144.db2.gz QGXVSNTVFMHOKI-RYUDHWBXSA-N 1 2 264.325 1.133 40 0 CDABLO Cc1ccoc1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000108526328 390613148 /nfs/dbraw/zinc/61/31/48/390613148.db2.gz QGXVSNTVFMHOKI-RYUDHWBXSA-N 1 2 264.325 1.133 40 0 CDABLO Nc1[nH+]cnc(NCCCO[C@@H]2CCOC2)c1Cl ZINC000302884962 391306031 /nfs/dbraw/zinc/30/60/31/391306031.db2.gz KNTNRDQVQLYBKV-MRVPVSSYSA-N 1 2 272.736 1.320 40 0 CDABLO Nc1nc[nH+]c(NCCCO[C@@H]2CCOC2)c1Cl ZINC000302884962 391306035 /nfs/dbraw/zinc/30/60/35/391306035.db2.gz KNTNRDQVQLYBKV-MRVPVSSYSA-N 1 2 272.736 1.320 40 0 CDABLO Cn1cc(C[N@@H+]2CCn3c(-c4cccnc4)cnc3C2)cn1 ZINC000306123682 392106119 /nfs/dbraw/zinc/10/61/19/392106119.db2.gz ATVFQUYPSGUKJR-UHFFFAOYSA-N 1 2 294.362 1.694 40 0 CDABLO Cn1cc(C[N@H+]2CCn3c(-c4cccnc4)cnc3C2)cn1 ZINC000306123682 392106131 /nfs/dbraw/zinc/10/61/31/392106131.db2.gz ATVFQUYPSGUKJR-UHFFFAOYSA-N 1 2 294.362 1.694 40 0 CDABLO COC[C@H]1CN(C(=O)C2=CCCCC2)Cc2[nH+]cn(C)c21 ZINC000096068614 398069524 /nfs/dbraw/zinc/06/95/24/398069524.db2.gz JHADCSJZBUSDRP-CYBMUJFWSA-N 1 2 289.379 1.993 40 0 CDABLO CN(C)C(=O)Cc1ccccc1C[NH+]1CCN(C)CC1 ZINC000045221479 175330878 /nfs/dbraw/zinc/33/08/78/175330878.db2.gz FBUDEZFBYALWHB-UHFFFAOYSA-N 1 2 275.396 1.065 40 0 CDABLO CNc1cncc(C2CC[NH+](Cc3nccn3C)CC2)n1 ZINC000072364288 176379711 /nfs/dbraw/zinc/37/97/11/176379711.db2.gz CYAADIQANIJJCJ-UHFFFAOYSA-N 1 2 286.383 1.631 40 0 CDABLO CNc1cc(C[C@@H]2CCN(c3cc(C)[nH+]cn3)C2)ncn1 ZINC000072366685 176381765 /nfs/dbraw/zinc/38/17/65/176381765.db2.gz LOLVXOJVGCBQNV-LBPRGKRZSA-N 1 2 284.367 1.686 40 0 CDABLO COc1cccc(C[NH2+]CCC[NH+](C)C)c1OCC(=O)[O-] ZINC000062718558 327915648 /nfs/dbraw/zinc/91/56/48/327915648.db2.gz RWNCHDNWEDLBBC-UHFFFAOYSA-N 1 2 296.367 1.200 40 0 CDABLO COCc1n[nH]c([C@@H]([NH3+])c2ccc(Cl)cc2)n1 ZINC000095533987 185006635 /nfs/dbraw/zinc/00/66/35/185006635.db2.gz QBVMAQLSKXQFBL-JTQLQIEISA-N 1 2 252.705 1.653 40 0 CDABLO CCOC[C@@H]1C[N@H+](Cc2cccnc2)Cc2nn(C)cc21 ZINC000096060390 185081415 /nfs/dbraw/zinc/08/14/15/185081415.db2.gz SMCVGWCNBPRYGY-AWEZNQCLSA-N 1 2 286.379 1.951 40 0 CDABLO CCOC[C@@H]1C[N@@H+](Cc2cccnc2)Cc2nn(C)cc21 ZINC000096060390 185081416 /nfs/dbraw/zinc/08/14/16/185081416.db2.gz SMCVGWCNBPRYGY-AWEZNQCLSA-N 1 2 286.379 1.951 40 0 CDABLO c1csc(CN2C[C@@H]3COC[C@H](C2)[N@@H+]3CC2CC2)n1 ZINC000096083516 185092166 /nfs/dbraw/zinc/09/21/66/185092166.db2.gz FQKDHAHOEQSWFF-BETUJISGSA-N 1 2 279.409 1.438 40 0 CDABLO c1csc(CN2C[C@@H]3COC[C@H](C2)[N@H+]3CC2CC2)n1 ZINC000096083516 185092168 /nfs/dbraw/zinc/09/21/68/185092168.db2.gz FQKDHAHOEQSWFF-BETUJISGSA-N 1 2 279.409 1.438 40 0 CDABLO c1csc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CC2CC2)n1 ZINC000096083516 185092170 /nfs/dbraw/zinc/09/21/70/185092170.db2.gz FQKDHAHOEQSWFF-BETUJISGSA-N 1 2 279.409 1.438 40 0 CDABLO c1csc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CC2CC2)n1 ZINC000096083516 185092172 /nfs/dbraw/zinc/09/21/72/185092172.db2.gz FQKDHAHOEQSWFF-BETUJISGSA-N 1 2 279.409 1.438 40 0 CDABLO COC[C@H]1Cc2c([nH+]cn2C)CN1Cc1cc(C)n[nH]1 ZINC000585094555 342211220 /nfs/dbraw/zinc/21/12/20/342211220.db2.gz AXPFHRLKEITYOB-GFCCVEGCSA-N 1 2 275.356 1.025 40 0 CDABLO COC[C@H]1Cc2c([nH+]cn2C)CN1Cc1cc(C)[nH]n1 ZINC000585094555 342211221 /nfs/dbraw/zinc/21/12/21/342211221.db2.gz AXPFHRLKEITYOB-GFCCVEGCSA-N 1 2 275.356 1.025 40 0 CDABLO Cn1c[nH+]c2c1C[C@H](COc1ncccc1F)N(C)C2 ZINC000585094868 342211304 /nfs/dbraw/zinc/21/13/04/342211304.db2.gz QWPAVVHIZQFYLX-SNVBAGLBSA-N 1 2 276.315 1.390 40 0 CDABLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1cnco1 ZINC000585182295 342232613 /nfs/dbraw/zinc/23/26/13/342232613.db2.gz BAQNPBLJNIQHDM-LLVKDONJSA-N 1 2 272.308 1.468 40 0 CDABLO CO[C@]1(CCC(=O)N(C)C)CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000585276404 342256198 /nfs/dbraw/zinc/25/61/98/342256198.db2.gz OIZPBLMLUIUUMO-HNNXBMFYSA-N 1 2 294.399 1.259 40 0 CDABLO CO[C@]1(CCC(=O)N(C)C)CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000585276404 342256199 /nfs/dbraw/zinc/25/61/99/342256199.db2.gz OIZPBLMLUIUUMO-HNNXBMFYSA-N 1 2 294.399 1.259 40 0 CDABLO Cc1nc(C[N@H+]2CCC[C@@](O)(CCC(=O)N(C)C)C2)co1 ZINC000585276416 342256472 /nfs/dbraw/zinc/25/64/72/342256472.db2.gz OLCXARLJERVNSI-OAHLLOKOSA-N 1 2 295.383 1.178 40 0 CDABLO Cc1nc(C[N@@H+]2CCC[C@@](O)(CCC(=O)N(C)C)C2)co1 ZINC000585276416 342256473 /nfs/dbraw/zinc/25/64/73/342256473.db2.gz OLCXARLJERVNSI-OAHLLOKOSA-N 1 2 295.383 1.178 40 0 CDABLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1cccc(=O)[nH]1 ZINC000257288774 362583490 /nfs/dbraw/zinc/58/34/90/362583490.db2.gz PVOZHUWIUJCQAB-GFCCVEGCSA-N 1 2 298.346 1.581 40 0 CDABLO COC(=O)[C@@H]1C[C@@H](OC(F)(F)C(F)(F)F)C[NH2+]1 ZINC000091252437 180114992 /nfs/dbraw/zinc/11/49/92/180114992.db2.gz LUZWKJBKRPZRDY-UHNVWZDZSA-N 1 2 263.162 1.062 40 0 CDABLO Cc1cc([C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)[nH]n1 ZINC000328680038 202008167 /nfs/dbraw/zinc/00/81/67/202008167.db2.gz NJHJLHRCPNPNDQ-LBPRGKRZSA-N 1 2 287.367 1.780 40 0 CDABLO Cc1cc([C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)[nH]n1 ZINC000328680038 202008171 /nfs/dbraw/zinc/00/81/71/202008171.db2.gz NJHJLHRCPNPNDQ-LBPRGKRZSA-N 1 2 287.367 1.780 40 0 CDABLO COc1cccc(N2C(=[NH2+])S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000137103268 357120946 /nfs/dbraw/zinc/12/09/46/357120946.db2.gz PCIWHLWNVCOXMC-WDEREUQCSA-N 1 2 298.389 1.349 40 0 CDABLO CC(C)(C)N1C[C@@]2(C)c3ccccc3N[C@]2([NH3+])C1=O ZINC000055066034 357328371 /nfs/dbraw/zinc/32/83/71/357328371.db2.gz DPBFMDRVECOLFK-LSDHHAIUSA-N 1 2 259.353 1.666 40 0 CDABLO COC[C@H]1Cn2cc[nH+]c2CN(C(=O)c2cccn2C)C1 ZINC000096059089 358707173 /nfs/dbraw/zinc/70/71/73/358707173.db2.gz LLYODMBVVNRCRJ-LBPRGKRZSA-N 1 2 288.351 1.140 40 0 CDABLO O=C(c1ccco1)N1C[C@H]2CN(c3cccc[nH+]3)C[C@H]2C1 ZINC000096161756 358711047 /nfs/dbraw/zinc/71/10/47/358711047.db2.gz ZQXGEDKMNHRQDC-BETUJISGSA-N 1 2 283.331 1.883 40 0 CDABLO c1[nH+]cn2c1CN(c1ncccn1)C[C@@H](COCC1CC1)C2 ZINC000096216701 358720752 /nfs/dbraw/zinc/72/07/52/358720752.db2.gz DBMVIKIXNUSQLM-CQSZACIVSA-N 1 2 299.378 1.736 40 0 CDABLO COC[C@@H]1Cn2c[nH+]cc2CN(Cc2cc(C)on2)C1 ZINC000096209166 358720920 /nfs/dbraw/zinc/72/09/20/358720920.db2.gz IHJUDWAKHLVNBI-LBPRGKRZSA-N 1 2 276.340 1.458 40 0 CDABLO CC[NH+](CC)c1ccc(N)cc1C(=O)NCCOC ZINC000225484085 359594362 /nfs/dbraw/zinc/59/43/62/359594362.db2.gz WXOVMTWSLPLZLU-UHFFFAOYSA-N 1 2 265.357 1.491 40 0 CDABLO CCc1nc2cc(C(=O)N3CC[NH+](C)CC3)ccc2n1C ZINC000225897234 359630291 /nfs/dbraw/zinc/63/02/91/359630291.db2.gz AQNIRBCUXBQFMI-UHFFFAOYSA-N 1 2 286.379 1.523 40 0 CDABLO O=C(NCCCn1cc[nH+]c1)c1cccc2n[nH]cc21 ZINC000079351802 374796041 /nfs/dbraw/zinc/79/60/41/374796041.db2.gz CVTAOYBESVJKJA-UHFFFAOYSA-N 1 2 269.308 1.580 40 0 CDABLO CC[C@H](C(=O)Nc1cc(C)on1)[NH+]1CCC(O)CC1 ZINC000053398715 375216242 /nfs/dbraw/zinc/21/62/42/375216242.db2.gz TUXHMBFAOLKMDU-LLVKDONJSA-N 1 2 267.329 1.157 40 0 CDABLO O[C@H]1CC[N@H+](Cc2ncccc2F)C[C@@]12CCCO2 ZINC000257271969 190023920 /nfs/dbraw/zinc/02/39/20/190023920.db2.gz NANGOTDZVMLKDU-KBPBESRZSA-N 1 2 266.316 1.337 40 0 CDABLO O[C@H]1CC[N@@H+](Cc2ncccc2F)C[C@@]12CCCO2 ZINC000257271969 190023921 /nfs/dbraw/zinc/02/39/21/190023921.db2.gz NANGOTDZVMLKDU-KBPBESRZSA-N 1 2 266.316 1.337 40 0 CDABLO CCOCC(=O)N1CCC[C@H](c2cc[nH+]c(NC)c2)C1 ZINC000257336526 190036274 /nfs/dbraw/zinc/03/62/74/190036274.db2.gz YOVKVBUMCSIGKI-ZDUSSCGKSA-N 1 2 277.368 1.866 40 0 CDABLO COc1cccc(C=O)c1OCCCC[NH+]1CCOCC1 ZINC000217792397 533443851 /nfs/dbraw/zinc/44/38/51/533443851.db2.gz IHPUEIIKRXGXMB-UHFFFAOYSA-N 1 2 293.363 1.999 40 0 CDABLO CC(C)(C)OC(=O)N1CCN(Cn2cc[nH+]c2)CC1 ZINC000022115323 171353043 /nfs/dbraw/zinc/35/30/43/171353043.db2.gz SEUDYDVIMTUFTP-UHFFFAOYSA-N 1 2 266.345 1.393 40 0 CDABLO CC(=O)N1CCC[C@@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378533 176385890 /nfs/dbraw/zinc/38/58/90/176385890.db2.gz LSVNFFRLMPMUSG-GFCCVEGCSA-N 1 2 257.297 1.346 40 0 CDABLO CCNC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000078550644 177352836 /nfs/dbraw/zinc/35/28/36/177352836.db2.gz HNELZESNYNUDCX-UHFFFAOYSA-N 1 2 264.251 1.607 40 0 CDABLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1cnccn1 ZINC000130976822 279881115 /nfs/dbraw/zinc/88/11/15/279881115.db2.gz LNDYBXHQZQJWOJ-GFCCVEGCSA-N 1 2 283.335 1.270 40 0 CDABLO Cc1nc(N2CC[NH+](C)CC2)nc2c1C(=O)C[C@@H](C)C2 ZINC000020671312 281928234 /nfs/dbraw/zinc/92/82/34/281928234.db2.gz VVXDMQXOWAVELS-JTQLQIEISA-N 1 2 274.368 1.302 40 0 CDABLO COc1ccc([C@@H](C[NH3+])[N@@H+]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000035622861 295212831 /nfs/dbraw/zinc/21/28/31/295212831.db2.gz RWYGQCFWBARQPA-WCQYABFASA-N 1 2 264.325 1.102 40 0 CDABLO COc1ccc([C@@H](C[NH3+])[N@H+]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000035622861 295212834 /nfs/dbraw/zinc/21/28/34/295212834.db2.gz RWYGQCFWBARQPA-WCQYABFASA-N 1 2 264.325 1.102 40 0 CDABLO O=C(c1ccccc1)[C@H](c1ccccc1)[NH+](CCO)CCO ZINC000006581776 304563968 /nfs/dbraw/zinc/56/39/68/304563968.db2.gz IKXIFGYUPNEIRE-KRWDZBQOSA-N 1 2 299.370 1.897 40 0 CDABLO Cn1cc(C(=O)N2CC[C@@H]3[C@H]2CCN3c2cccc[nH+]2)cn1 ZINC000097953295 534733039 /nfs/dbraw/zinc/73/30/39/534733039.db2.gz QRVXBEAAVNEKCD-ZIAGYGMSSA-N 1 2 297.362 1.309 40 0 CDABLO Cn1cc(C(=O)N2CC[C@H]3[C@H]2CCN3c2cccc[nH+]2)cn1 ZINC000097953296 230388386 /nfs/dbraw/zinc/38/83/86/230388386.db2.gz QRVXBEAAVNEKCD-UONOGXRCSA-N 1 2 297.362 1.309 40 0 CDABLO COC[C@@H]1C[N@H+](Cc2ccc(F)cc2)Cc2nnn(C)c21 ZINC000096060609 185080045 /nfs/dbraw/zinc/08/00/45/185080045.db2.gz CHRHHVNNUPZVBA-LBPRGKRZSA-N 1 2 290.342 1.700 40 0 CDABLO COC[C@@H]1C[N@@H+](Cc2ccc(F)cc2)Cc2nnn(C)c21 ZINC000096060609 185080048 /nfs/dbraw/zinc/08/00/48/185080048.db2.gz CHRHHVNNUPZVBA-LBPRGKRZSA-N 1 2 290.342 1.700 40 0 CDABLO COCc1nnc2n1CC[N@@H+](Cc1cccnc1)[C@H]2C ZINC000585097019 342211825 /nfs/dbraw/zinc/21/18/25/342211825.db2.gz DVWIOIHTIHGAHV-NSHDSACASA-N 1 2 273.340 1.396 40 0 CDABLO COCc1nnc2n1CC[N@H+](Cc1cccnc1)[C@H]2C ZINC000585097019 342211826 /nfs/dbraw/zinc/21/18/26/342211826.db2.gz DVWIOIHTIHGAHV-NSHDSACASA-N 1 2 273.340 1.396 40 0 CDABLO CCS(=O)(=O)N(C)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257223140 362577557 /nfs/dbraw/zinc/57/75/57/362577557.db2.gz DWBLIFAXAZGZQT-LBPRGKRZSA-N 1 2 283.397 1.332 40 0 CDABLO Cc1cc(C(F)F)nn1[C@H](C)C(=O)NCc1[nH+]ccn1C ZINC000019119091 356475675 /nfs/dbraw/zinc/47/56/75/356475675.db2.gz LMXSYOHQIRFQLZ-SECBINFHSA-N 1 2 297.309 1.740 40 0 CDABLO CCS(=O)(=O)N1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000062185311 357471361 /nfs/dbraw/zinc/47/13/61/357471361.db2.gz LGFJLMITGPLNLP-ZDUSSCGKSA-N 1 2 268.382 1.325 40 0 CDABLO CCS(=O)(=O)N1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000062185311 357471366 /nfs/dbraw/zinc/47/13/66/357471366.db2.gz LGFJLMITGPLNLP-ZDUSSCGKSA-N 1 2 268.382 1.325 40 0 CDABLO CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(OCC(=O)[O-])c1 ZINC000062718606 374168567 /nfs/dbraw/zinc/16/85/67/374168567.db2.gz YZQZMRDOSMCZLQ-AWEZNQCLSA-N 1 2 292.379 1.724 40 0 CDABLO CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(OCC(=O)[O-])c1 ZINC000062718606 374168571 /nfs/dbraw/zinc/16/85/71/374168571.db2.gz YZQZMRDOSMCZLQ-AWEZNQCLSA-N 1 2 292.379 1.724 40 0 CDABLO Cc1nc([C@H]2COCC[NH2+]2)cc(N2CCC(C)CC2)n1 ZINC000257273437 374421694 /nfs/dbraw/zinc/42/16/94/374421694.db2.gz NGOKSAJOPINLIL-CQSZACIVSA-N 1 2 276.384 1.682 40 0 CDABLO Cc1ccccc1OC[C@@H]1C[N@H+](CCO)CCO1 ZINC000217488389 375655477 /nfs/dbraw/zinc/65/54/77/375655477.db2.gz VEPNPEUOZZVETM-ZDUSSCGKSA-N 1 2 251.326 1.067 40 0 CDABLO Cc1ccccc1OC[C@@H]1C[N@@H+](CCO)CCO1 ZINC000217488389 375655481 /nfs/dbraw/zinc/65/54/81/375655481.db2.gz VEPNPEUOZZVETM-ZDUSSCGKSA-N 1 2 251.326 1.067 40 0 CDABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2cnccn2)[nH+]1 ZINC000257279837 190025782 /nfs/dbraw/zinc/02/57/82/190025782.db2.gz OIJWVRUHKYCMAF-LLVKDONJSA-N 1 2 257.297 1.485 40 0 CDABLO C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCOCC1 ZINC000043304550 175002817 /nfs/dbraw/zinc/00/28/17/175002817.db2.gz YAPFBXGHZCAUBE-LBPRGKRZSA-N 1 2 254.374 1.498 40 0 CDABLO COc1ccc(OC)c([C@@H](C[NH3+])[N@@H+]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000248246535 295178365 /nfs/dbraw/zinc/17/83/65/295178365.db2.gz MISAPEIPIMQEJA-ZWNOBZJWSA-N 1 2 294.351 1.110 40 0 CDABLO COc1ccc(OC)c([C@@H](C[NH3+])[N@H+]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000248246535 295178368 /nfs/dbraw/zinc/17/83/68/295178368.db2.gz MISAPEIPIMQEJA-ZWNOBZJWSA-N 1 2 294.351 1.110 40 0 CDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2cscn2)[nH+]1 ZINC000257335548 301025130 /nfs/dbraw/zinc/02/51/30/301025130.db2.gz YKPXNEVXARZTEL-SNVBAGLBSA-N 1 2 278.337 1.388 40 0 CDABLO Cn1c[nH+]c2c1[C@H](CO)CN(C(=O)OC(C)(C)C)C2 ZINC000095698610 342556938 /nfs/dbraw/zinc/55/69/38/342556938.db2.gz DXYWKGYOLJMGOD-VIFPVBQESA-N 1 2 267.329 1.247 40 0 CDABLO CC(C)[N@@H+]1CCO[C@H]2CN(Cc3ccco3)C[C@H]21 ZINC000096054273 185076001 /nfs/dbraw/zinc/07/60/01/185076001.db2.gz UJUFIJLNYNTWSO-KGLIPLIRSA-N 1 2 250.342 1.573 40 0 CDABLO CC(C)[N@H+]1CCO[C@H]2CN(Cc3ccco3)C[C@H]21 ZINC000096054273 185076002 /nfs/dbraw/zinc/07/60/02/185076002.db2.gz UJUFIJLNYNTWSO-KGLIPLIRSA-N 1 2 250.342 1.573 40 0 CDABLO COC[C@@H]1C[N@H+](Cc2ccoc2)Cc2nn(C)cc21 ZINC000096060351 185080180 /nfs/dbraw/zinc/08/01/80/185080180.db2.gz IIDNWBAEGCWUIT-LBPRGKRZSA-N 1 2 261.325 1.759 40 0 CDABLO COC[C@@H]1C[N@@H+](Cc2ccoc2)Cc2nn(C)cc21 ZINC000096060351 185080181 /nfs/dbraw/zinc/08/01/81/185080181.db2.gz IIDNWBAEGCWUIT-LBPRGKRZSA-N 1 2 261.325 1.759 40 0 CDABLO COCC(=O)N1CCN(CC2CC2)c2[nH+]cccc2C1 ZINC000096060985 185082882 /nfs/dbraw/zinc/08/28/82/185082882.db2.gz AMAAZLQDDDDDSZ-UHFFFAOYSA-N 1 2 275.352 1.287 40 0 CDABLO Cn1cnc2c1C[C@H](COc1ncccn1)[N@@H+](C1CCC1)C2 ZINC000585094923 342211449 /nfs/dbraw/zinc/21/14/49/342211449.db2.gz UOJLAXFEEGFRKY-CYBMUJFWSA-N 1 2 299.378 1.568 40 0 CDABLO Cn1cnc2c1C[C@H](COc1ncccn1)[N@H+](C1CCC1)C2 ZINC000585094923 342211450 /nfs/dbraw/zinc/21/14/50/342211450.db2.gz UOJLAXFEEGFRKY-CYBMUJFWSA-N 1 2 299.378 1.568 40 0 CDABLO Cn1c[nH+]c2c1C[C@H](COc1ncccn1)N(C1CCC1)C2 ZINC000585094923 342211451 /nfs/dbraw/zinc/21/14/51/342211451.db2.gz UOJLAXFEEGFRKY-CYBMUJFWSA-N 1 2 299.378 1.568 40 0 CDABLO Cc1ccc(C[N@H+]2C[C@H]3C[C@@H](C(=O)N(C)C)[C@@H](C2)O3)o1 ZINC000248049829 362147311 /nfs/dbraw/zinc/14/73/11/362147311.db2.gz XEXAJCSBTMUWTH-MGPQQGTHSA-N 1 2 278.352 1.266 40 0 CDABLO Cc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C(=O)N(C)C)[C@@H](C2)O3)o1 ZINC000248049829 362147313 /nfs/dbraw/zinc/14/73/13/362147313.db2.gz XEXAJCSBTMUWTH-MGPQQGTHSA-N 1 2 278.352 1.266 40 0 CDABLO CCO[C@H]1CCOC2(CN(c3cc(N(C)C)[nH+]cn3)C2)C1 ZINC000248109000 362150800 /nfs/dbraw/zinc/15/08/00/362150800.db2.gz JSHJLFVMWQBPNL-LBPRGKRZSA-N 1 2 292.383 1.317 40 0 CDABLO CCO[C@H]1CCOC2(CN(c3cc(N(C)C)nc[nH+]3)C2)C1 ZINC000248109000 362150805 /nfs/dbraw/zinc/15/08/05/362150805.db2.gz JSHJLFVMWQBPNL-LBPRGKRZSA-N 1 2 292.383 1.317 40 0 CDABLO CN(C)C(=O)OCC[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000158911428 342448438 /nfs/dbraw/zinc/44/84/38/342448438.db2.gz NEHDMXZKXPCLGZ-MRXNPFEDSA-N 1 2 292.379 1.932 40 0 CDABLO CN(C)C(=O)OCC[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000158911428 342448439 /nfs/dbraw/zinc/44/84/39/342448439.db2.gz NEHDMXZKXPCLGZ-MRXNPFEDSA-N 1 2 292.379 1.932 40 0 CDABLO C[N@H+](Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000041392686 345286138 /nfs/dbraw/zinc/28/61/38/345286138.db2.gz SBVKFASNFJFBNB-LBPRGKRZSA-N 1 2 257.330 1.445 40 0 CDABLO C[N@@H+](Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000041392686 345286142 /nfs/dbraw/zinc/28/61/42/345286142.db2.gz SBVKFASNFJFBNB-LBPRGKRZSA-N 1 2 257.330 1.445 40 0 CDABLO CN(C(=O)c1cnccn1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257300431 362584357 /nfs/dbraw/zinc/58/43/57/362584357.db2.gz RUFKNTWYKFIHSG-CYBMUJFWSA-N 1 2 297.362 1.613 40 0 CDABLO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC[C@H](O)CC1 ZINC000378810521 351227792 /nfs/dbraw/zinc/22/77/92/351227792.db2.gz ZZDLDHLVTZEAQG-ZDUSSCGKSA-N 1 2 286.335 1.254 40 0 CDABLO O=C(c1ccccc1)[C@@H](c1ccccc1)[NH+](CCO)CCO ZINC000001665773 355945499 /nfs/dbraw/zinc/94/54/99/355945499.db2.gz IKXIFGYUPNEIRE-QGZVFWFLSA-N 1 2 299.370 1.897 40 0 CDABLO Cc1cccc(OC[C@@H](O)C[NH+]2CCOCC2)c1C ZINC000023643332 359254325 /nfs/dbraw/zinc/25/43/25/359254325.db2.gz VTLAADYOBVWYOV-AWEZNQCLSA-N 1 2 265.353 1.375 40 0 CDABLO O[C@H](COc1ccccc1Cl)C[NH+]1CCOCC1 ZINC000026919738 359461783 /nfs/dbraw/zinc/46/17/83/359461783.db2.gz IAVFBMZOXYCLOZ-NSHDSACASA-N 1 2 271.744 1.412 40 0 CDABLO Cc1cc(=O)c2n(cn[n+]2Cc2c(F)cccc2Cl)[nH]1 ZINC000408977758 363776352 /nfs/dbraw/zinc/77/63/52/363776352.db2.gz XJMSWEWUWVXAEY-UHFFFAOYSA-O 1 2 293.709 1.459 40 0 CDABLO CCN(C(=O)C[N@H+](CC)CC(=O)N(C)C)c1ccccc1 ZINC000051791821 284378880 /nfs/dbraw/zinc/37/88/80/284378880.db2.gz UTZZYAZLOXBTPX-UHFFFAOYSA-N 1 2 291.395 1.450 40 0 CDABLO CCN(C(=O)C[N@@H+](CC)CC(=O)N(C)C)c1ccccc1 ZINC000051791821 284378882 /nfs/dbraw/zinc/37/88/82/284378882.db2.gz UTZZYAZLOXBTPX-UHFFFAOYSA-N 1 2 291.395 1.450 40 0 CDABLO CCn1ccc(C[NH2+]Cc2c(C)nn(CC)c2F)n1 ZINC000256050184 190003072 /nfs/dbraw/zinc/00/30/72/190003072.db2.gz DBMNZBAENWCCFH-UHFFFAOYSA-N 1 2 265.336 1.857 40 0 CDABLO Cc1c(C[NH2+]Cc2ccn(C(F)F)n2)cnn1C ZINC000256051704 190003573 /nfs/dbraw/zinc/00/35/73/190003573.db2.gz KGAMBWIOAMMFBT-UHFFFAOYSA-N 1 2 255.272 1.610 40 0 CDABLO c1c[nH]c(C[N@H+]2CCOC[C@H](Cc3cccnc3)C2)n1 ZINC000257246238 190019051 /nfs/dbraw/zinc/01/90/51/190019051.db2.gz ITFQEXYNALCPEP-CQSZACIVSA-N 1 2 272.352 1.496 40 0 CDABLO c1c[nH]c(C[N@@H+]2CCOC[C@H](Cc3cccnc3)C2)n1 ZINC000257246238 190019052 /nfs/dbraw/zinc/01/90/52/190019052.db2.gz ITFQEXYNALCPEP-CQSZACIVSA-N 1 2 272.352 1.496 40 0 CDABLO CNc1cc([C@H]2CCCN2C(=O)c2ccn(C)n2)cc[nH+]1 ZINC000257284913 190026866 /nfs/dbraw/zinc/02/68/66/190026866.db2.gz PEVAWTPLOZRGTA-CYBMUJFWSA-N 1 2 285.351 1.834 40 0 CDABLO Cc1nc([C@H]2C[N@H+](Cc3cncs3)CCO2)cc(=O)[nH]1 ZINC000257292356 190027430 /nfs/dbraw/zinc/02/74/30/190027430.db2.gz QLCNVHRJOASRHD-GFCCVEGCSA-N 1 2 292.364 1.521 40 0 CDABLO Cc1nc([C@H]2C[N@@H+](Cc3cncs3)CCO2)cc(=O)[nH]1 ZINC000257292356 190027431 /nfs/dbraw/zinc/02/74/31/190027431.db2.gz QLCNVHRJOASRHD-GFCCVEGCSA-N 1 2 292.364 1.521 40 0 CDABLO Cc1c[nH]c([C@@H]2COCCN2Cc2cc(C)on2)[nH+]1 ZINC000257313883 190032184 /nfs/dbraw/zinc/03/21/84/190032184.db2.gz UUMJLPLXHLWGLT-LBPRGKRZSA-N 1 2 262.313 1.588 40 0 CDABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2cnc(C)cn2)[nH+]1 ZINC000257328086 190034687 /nfs/dbraw/zinc/03/46/87/190034687.db2.gz XEAXDYGWXJLMCH-GFCCVEGCSA-N 1 2 271.324 1.794 40 0 CDABLO Cc1cc(C[C@@H]2COCC[N@H+](Cc3c[nH]cn3)C2)ncn1 ZINC000257341750 190036785 /nfs/dbraw/zinc/03/67/85/190036785.db2.gz ZLVCGYCYUCQPNX-ZDUSSCGKSA-N 1 2 287.367 1.199 40 0 CDABLO Cc1cc(C[C@@H]2COCC[N@@H+](Cc3c[nH]cn3)C2)ncn1 ZINC000257341750 190036786 /nfs/dbraw/zinc/03/67/86/190036786.db2.gz ZLVCGYCYUCQPNX-ZDUSSCGKSA-N 1 2 287.367 1.199 40 0 CDABLO Cc1cc(C[C@@H]2COCC[N@H+](Cc3cnc[nH]3)C2)ncn1 ZINC000257341750 190036787 /nfs/dbraw/zinc/03/67/87/190036787.db2.gz ZLVCGYCYUCQPNX-ZDUSSCGKSA-N 1 2 287.367 1.199 40 0 CDABLO Cc1cc(C[C@@H]2COCC[N@@H+](Cc3cnc[nH]3)C2)ncn1 ZINC000257341750 190036788 /nfs/dbraw/zinc/03/67/88/190036788.db2.gz ZLVCGYCYUCQPNX-ZDUSSCGKSA-N 1 2 287.367 1.199 40 0 CDABLO O=C(c1ccco1)N1CC[C@]2(CCn3cc[nH+]c32)C1 ZINC000306133182 296267325 /nfs/dbraw/zinc/26/73/25/296267325.db2.gz MEHDFTALVVDGBI-CQSZACIVSA-N 1 2 257.293 1.664 40 0 CDABLO COC[C@H]1Cn2c[nH+]cc2CN(C(=O)N2CCCC2)C1 ZINC000096207162 256823908 /nfs/dbraw/zinc/82/39/08/256823908.db2.gz ORLNAOTWSCAYKJ-GFCCVEGCSA-N 1 2 278.356 1.177 40 0 CDABLO C[NH+](C)Cc1noc2c1CN(C(=O)c1cccnc1)CC2 ZINC000096259725 256836466 /nfs/dbraw/zinc/83/64/66/256836466.db2.gz LPZSUMPWQSLVHF-UHFFFAOYSA-N 1 2 286.335 1.330 40 0 CDABLO CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccncc1 ZINC000096057796 286216713 /nfs/dbraw/zinc/21/67/13/286216713.db2.gz YMYUVUAWVYLWSH-RRFJBIMHSA-N 1 2 262.353 1.850 40 0 CDABLO CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccncc1 ZINC000096057796 286216714 /nfs/dbraw/zinc/21/67/14/286216714.db2.gz YMYUVUAWVYLWSH-RRFJBIMHSA-N 1 2 262.353 1.850 40 0 CDABLO CC(C)[N@@H+]1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000661186699 413871021 /nfs/dbraw/zinc/87/10/21/413871021.db2.gz UVQJCQCLKHJVMP-YUMQZZPRSA-N 1 2 259.293 1.302 40 0 CDABLO CC(C)[N@H+]1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000661186699 413871028 /nfs/dbraw/zinc/87/10/28/413871028.db2.gz UVQJCQCLKHJVMP-YUMQZZPRSA-N 1 2 259.293 1.302 40 0 CDABLO COc1cccc([C@@H](CO)[NH+]2CCOCC2)c1OC ZINC000070453277 175940124 /nfs/dbraw/zinc/94/01/24/175940124.db2.gz KFASUHUHTYDGKU-GFCCVEGCSA-N 1 2 267.325 1.069 40 0 CDABLO Cc1c[nH]nc1[C@@H]1COCCN1Cc1[nH]c[nH+]c1C ZINC000257305069 292869519 /nfs/dbraw/zinc/86/95/19/292869519.db2.gz SOHQRDKXGXPRFV-LBPRGKRZSA-N 1 2 261.329 1.323 40 0 CDABLO CCCC[N@H+](C)Cc1nn(C)cc1C(=O)OCC ZINC000575441393 1159608450 /nfs/dbraw/zinc/60/84/50/1159608450.db2.gz MFLHHOPEDVKWTE-UHFFFAOYSA-N 1 2 253.346 1.829 40 0 CDABLO CCCC[N@@H+](C)Cc1nn(C)cc1C(=O)OCC ZINC000575441393 1159608455 /nfs/dbraw/zinc/60/84/55/1159608455.db2.gz MFLHHOPEDVKWTE-UHFFFAOYSA-N 1 2 253.346 1.829 40 0 CDABLO CCOC[C@H]1CN(Cc2ccccn2)Cc2[nH+]cn(C)c21 ZINC000096060217 185080846 /nfs/dbraw/zinc/08/08/46/185080846.db2.gz LLABFWJXDSVURH-CYBMUJFWSA-N 1 2 286.379 1.951 40 0 CDABLO C[N@H+]1Cc2ccnn2[C@H](CCNC(=O)c2cscn2)C1 ZINC000585111801 342213488 /nfs/dbraw/zinc/21/34/88/342213488.db2.gz BZNPYXKZYORPNT-SNVBAGLBSA-N 1 2 291.380 1.146 40 0 CDABLO COC[C@@H]1CCn2nccc2C[N@@H+]1Cc1cncc(C)n1 ZINC000585098347 342211756 /nfs/dbraw/zinc/21/17/56/342211756.db2.gz WOCFJQCOWIDHBZ-HNNXBMFYSA-N 1 2 287.367 1.402 40 0 CDABLO COC[C@@H]1CCn2nccc2C[N@H+]1Cc1cncc(C)n1 ZINC000585098347 342211757 /nfs/dbraw/zinc/21/17/57/342211757.db2.gz WOCFJQCOWIDHBZ-HNNXBMFYSA-N 1 2 287.367 1.402 40 0 CDABLO C[N@@H+]1Cc2ccnn2[C@H](CCNC(=O)c2cscn2)C1 ZINC000585111801 342213489 /nfs/dbraw/zinc/21/34/89/342213489.db2.gz BZNPYXKZYORPNT-SNVBAGLBSA-N 1 2 291.380 1.146 40 0 CDABLO CCOC[C@H]1CCn2c[nH+]cc2CN1Cc1cc(C)on1 ZINC000585097070 342211913 /nfs/dbraw/zinc/21/19/13/342211913.db2.gz HCWGCIFHMVQVKP-CQSZACIVSA-N 1 2 290.367 1.991 40 0 CDABLO Cc1cc(N2CC[C@H]([N@H+](C)Cc3ccoc3)C2=O)n(C)n1 ZINC000331414010 362235144 /nfs/dbraw/zinc/23/51/44/362235144.db2.gz QESMPBANIDJVAJ-ZDUSSCGKSA-N 1 2 288.351 1.559 40 0 CDABLO Cc1cc(N2CC[C@H]([N@@H+](C)Cc3ccoc3)C2=O)n(C)n1 ZINC000331414010 362235152 /nfs/dbraw/zinc/23/51/52/362235152.db2.gz QESMPBANIDJVAJ-ZDUSSCGKSA-N 1 2 288.351 1.559 40 0 CDABLO CCS(=O)(=O)N1CC[N@H+](C)[C@@H](c2ccc(OC)cc2)C1 ZINC000257313773 362585809 /nfs/dbraw/zinc/58/58/09/362585809.db2.gz UUBRFWKXKLBUPP-CQSZACIVSA-N 1 2 298.408 1.333 40 0 CDABLO CCS(=O)(=O)N1CC[N@@H+](C)[C@@H](c2ccc(OC)cc2)C1 ZINC000257313773 362585813 /nfs/dbraw/zinc/58/58/13/362585813.db2.gz UUBRFWKXKLBUPP-CQSZACIVSA-N 1 2 298.408 1.333 40 0 CDABLO C[N@H+](Cc1ccnc2ccccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000057605177 357362310 /nfs/dbraw/zinc/36/23/10/357362310.db2.gz SJNRVEPWVYTCLK-CYBMUJFWSA-N 1 2 290.388 1.854 40 0 CDABLO C[N@@H+](Cc1ccnc2ccccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000057605177 357362312 /nfs/dbraw/zinc/36/23/12/357362312.db2.gz SJNRVEPWVYTCLK-CYBMUJFWSA-N 1 2 290.388 1.854 40 0 CDABLO Cc1nn(C)c(F)c1C[NH2+]Cc1ccn(C(F)F)n1 ZINC000256051804 190003625 /nfs/dbraw/zinc/00/36/25/190003625.db2.gz KNZHFDVAZNXFAT-UHFFFAOYSA-N 1 2 273.262 1.749 40 0 CDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)Cc2cccnc2)[nH+]1 ZINC000257216402 190014295 /nfs/dbraw/zinc/01/42/95/190014295.db2.gz CUKHACYHUYOTGN-ZDUSSCGKSA-N 1 2 286.335 1.256 40 0 CDABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3c(C)noc3C)C2)[nH+]1 ZINC000257284348 190025980 /nfs/dbraw/zinc/02/59/80/190025980.db2.gz PCHPZWYJAHSOMP-NSHDSACASA-N 1 2 274.324 1.953 40 0 CDABLO CC(=O)N1CCC[C@@H](c2cncc(-c3c[nH+]c(C)n3C)n2)C1 ZINC000257322108 190033270 /nfs/dbraw/zinc/03/32/70/190033270.db2.gz WEQGGCIKKZSTSP-CYBMUJFWSA-N 1 2 299.378 1.911 40 0 CDABLO Cc1c(C[NH2+]Cc2cc(C(F)(F)F)n(C)n2)cnn1C ZINC000020349870 171155060 /nfs/dbraw/zinc/15/50/60/171155060.db2.gz BLXXJOOXPOXWRJ-UHFFFAOYSA-N 1 2 287.289 1.771 40 0 CDABLO COCCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038833058 174157268 /nfs/dbraw/zinc/15/72/68/174157268.db2.gz LIKJPRPOGQNXNT-UHFFFAOYSA-N 1 2 273.336 1.698 40 0 CDABLO c1nn(-c2ccccn2)c2nc[nH+]c(NC3CC3)c12 ZINC000041529099 174565345 /nfs/dbraw/zinc/56/53/45/174565345.db2.gz ZZCJHNACMJXWTO-UHFFFAOYSA-N 1 2 252.281 1.785 40 0 CDABLO CC(=O)N1CCC[C@H](Cc2cnc(-n3cc[nH+]c3)cn2)C1 ZINC000072364815 176380148 /nfs/dbraw/zinc/38/01/48/176380148.db2.gz UQLUZJIUUDBJAK-CYBMUJFWSA-N 1 2 285.351 1.463 40 0 CDABLO CC(C)c1ncc(C[N@H+](C)[C@]2(C)CCS(=O)(=O)C2)cn1 ZINC000072397966 176395711 /nfs/dbraw/zinc/39/57/11/176395711.db2.gz ROMHQJUDPWRIBD-CQSZACIVSA-N 1 2 297.424 1.609 40 0 CDABLO CC(C)c1ncc(C[N@@H+](C)[C@]2(C)CCS(=O)(=O)C2)cn1 ZINC000072397966 176395713 /nfs/dbraw/zinc/39/57/13/176395713.db2.gz ROMHQJUDPWRIBD-CQSZACIVSA-N 1 2 297.424 1.609 40 0 CDABLO CC1CC[NH+](c2ccc(-n3cnnc3)cc2C(N)=O)CC1 ZINC000226279815 275942047 /nfs/dbraw/zinc/94/20/47/275942047.db2.gz LCFSFOZHENGRMD-UHFFFAOYSA-N 1 2 285.351 1.603 40 0 CDABLO Cc1cc2[nH+]cn([C@H]3C[C@H](O)[C@H](CO)O3)c2cc1C ZINC000004824017 278765140 /nfs/dbraw/zinc/76/51/40/278765140.db2.gz HJTIINUBIAXTGQ-MELADBBJSA-N 1 2 262.309 1.294 40 0 CDABLO C[C@@H](Oc1ccc(F)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000006295047 525930228 /nfs/dbraw/zinc/93/02/28/525930228.db2.gz VRUOHANLJZITPE-GFCCVEGCSA-N 1 2 291.326 1.996 40 0 CDABLO COc1cccc([C@H]([NH3+])c2nnc(-c3ccncc3)[nH]2)c1 ZINC000095533502 185005697 /nfs/dbraw/zinc/00/56/97/185005697.db2.gz ZLYXGNCIGNAFBW-ZDUSSCGKSA-N 1 2 281.319 1.923 40 0 CDABLO COc1cccc([C@H]([NH3+])c2n[nH]c(-c3ccncc3)n2)c1 ZINC000095533502 185005698 /nfs/dbraw/zinc/00/56/98/185005698.db2.gz ZLYXGNCIGNAFBW-ZDUSSCGKSA-N 1 2 281.319 1.923 40 0 CDABLO CO[C@H]1C[N@H+](Cc2nccs2)[C@@H]2CCCO[C@@H]21 ZINC000096057406 185077280 /nfs/dbraw/zinc/07/72/80/185077280.db2.gz ZIYATGPYEDILJB-SCVCMEIPSA-N 1 2 254.355 1.521 40 0 CDABLO CO[C@H]1C[N@@H+](Cc2nccs2)[C@@H]2CCCO[C@@H]21 ZINC000096057406 185077281 /nfs/dbraw/zinc/07/72/81/185077281.db2.gz ZIYATGPYEDILJB-SCVCMEIPSA-N 1 2 254.355 1.521 40 0 CDABLO COC[C@H]1C[N@H+](Cc2ccoc2)Cc2nn(C)cc21 ZINC000096060350 185080140 /nfs/dbraw/zinc/08/01/40/185080140.db2.gz IIDNWBAEGCWUIT-GFCCVEGCSA-N 1 2 261.325 1.759 40 0 CDABLO COC[C@H]1C[N@@H+](Cc2ccoc2)Cc2nn(C)cc21 ZINC000096060350 185080141 /nfs/dbraw/zinc/08/01/41/185080141.db2.gz IIDNWBAEGCWUIT-GFCCVEGCSA-N 1 2 261.325 1.759 40 0 CDABLO COC[C@H]1C[N@H+](Cc2ccccn2)Cc2cnn(C)c21 ZINC000096060018 185081009 /nfs/dbraw/zinc/08/10/09/185081009.db2.gz AMWHMDKYVRDZGM-CYBMUJFWSA-N 1 2 272.352 1.561 40 0 CDABLO COC[C@H]1C[N@@H+](Cc2ccccn2)Cc2cnn(C)c21 ZINC000096060018 185081011 /nfs/dbraw/zinc/08/10/11/185081011.db2.gz AMWHMDKYVRDZGM-CYBMUJFWSA-N 1 2 272.352 1.561 40 0 CDABLO Cc1cccc(C[N@@H+]2Cc3ccnn3CC[C@H]2CO)n1 ZINC000585098398 342212081 /nfs/dbraw/zinc/21/20/81/342212081.db2.gz XMQVMGGHGIPGJK-HNNXBMFYSA-N 1 2 272.352 1.353 40 0 CDABLO Cc1cccc(C[N@H+]2Cc3ccnn3CC[C@H]2CO)n1 ZINC000585098398 342212082 /nfs/dbraw/zinc/21/20/82/342212082.db2.gz XMQVMGGHGIPGJK-HNNXBMFYSA-N 1 2 272.352 1.353 40 0 CDABLO Cc1nc(N2CCOC[C@H]2CCc2cnccn2)cc[nH+]1 ZINC000257223116 362578273 /nfs/dbraw/zinc/57/82/73/362578273.db2.gz DVXYIIKYFYTGBL-CQSZACIVSA-N 1 2 285.351 1.413 40 0 CDABLO CCS(=O)(=O)N1CCC[C@@H](c2[nH+]c(C)cn2C)C1 ZINC000205694199 348744084 /nfs/dbraw/zinc/74/40/84/348744084.db2.gz QRIWHAGDACJUAF-LLVKDONJSA-N 1 2 271.386 1.258 40 0 CDABLO COC(=O)[C@H](C)C[NH+]1CC(NC(=O)OC(C)(C)C)C1 ZINC000012648554 356316231 /nfs/dbraw/zinc/31/62/31/356316231.db2.gz HKMPOZNDOMNVBC-SECBINFHSA-N 1 2 272.345 1.004 40 0 CDABLO CC(=O)CC[N@H+]1Cc2cc3c(cc2[C@H](O)C1)OCO3 ZINC000024717586 356660027 /nfs/dbraw/zinc/66/00/27/356660027.db2.gz DOCFTWOBHIMVHN-GFCCVEGCSA-N 1 2 263.293 1.243 40 0 CDABLO CC(=O)CC[N@@H+]1Cc2cc3c(cc2[C@H](O)C1)OCO3 ZINC000024717586 356660031 /nfs/dbraw/zinc/66/00/31/356660031.db2.gz DOCFTWOBHIMVHN-GFCCVEGCSA-N 1 2 263.293 1.243 40 0 CDABLO Cc1cc(N2CCO[C@@H](c3ccncn3)C2)nc[nH+]1 ZINC000072385572 357831736 /nfs/dbraw/zinc/83/17/36/357831736.db2.gz OBRVEMRXNXHLDZ-GFCCVEGCSA-N 1 2 257.297 1.153 40 0 CDABLO CC[C@H]1C[N@H+](CCS(=O)(=O)CC)CCS1 ZINC000076071960 366967965 /nfs/dbraw/zinc/96/79/65/366967965.db2.gz AYOCSNLIDQTJGU-JTQLQIEISA-N 1 2 251.417 1.249 40 0 CDABLO CC[C@H]1C[N@@H+](CCS(=O)(=O)CC)CCS1 ZINC000076071960 366967971 /nfs/dbraw/zinc/96/79/71/366967971.db2.gz AYOCSNLIDQTJGU-JTQLQIEISA-N 1 2 251.417 1.249 40 0 CDABLO O=C1OC[C@@H]2CC[N@H+](C3COC3)Cc3ccc(F)cc3N12 ZINC000225484844 374496424 /nfs/dbraw/zinc/49/64/24/374496424.db2.gz UAJIXSYCUGUCPP-LBPRGKRZSA-N 1 2 292.310 1.755 40 0 biogenic,in-vitro CDABLO O=C1OC[C@@H]2CC[N@@H+](C3COC3)Cc3ccc(F)cc3N12 ZINC000225484844 374496430 /nfs/dbraw/zinc/49/64/30/374496430.db2.gz UAJIXSYCUGUCPP-LBPRGKRZSA-N 1 2 292.310 1.755 40 0 biogenic,in-vitro CDABLO Cc1nc2ccc(N3CCC(n4cc[nH+]c4)CC3)nn2n1 ZINC000225539281 375160498 /nfs/dbraw/zinc/16/04/98/375160498.db2.gz YIHOBFBVTNXGCQ-UHFFFAOYSA-N 1 2 283.339 1.471 40 0 CDABLO O=C(N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O)c1ccsc1 ZINC000257204799 190011322 /nfs/dbraw/zinc/01/13/22/190011322.db2.gz AWHZORLXPKRMQZ-JHJVBQTASA-N 1 2 291.376 1.829 40 0 CDABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2cn(C)nc2C)[nH+]1 ZINC000257264961 190023224 /nfs/dbraw/zinc/02/32/24/190023224.db2.gz LWSJCDCQYDWPLI-LBPRGKRZSA-N 1 2 273.340 1.737 40 0 CDABLO Cc1[nH+]c[nH]c1CN1CCO[C@H](c2nccc(C)n2)C1 ZINC000257264059 190022278 /nfs/dbraw/zinc/02/22/78/190022278.db2.gz LSSPTFLSXUVCKU-ZDUSSCGKSA-N 1 2 273.340 1.390 40 0 CDABLO Cc1c[nH]nc1[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000257286489 190026976 /nfs/dbraw/zinc/02/69/76/190026976.db2.gz PLTOJNFAWICIDL-LBPRGKRZSA-N 1 2 273.340 1.321 40 0 CDABLO Cc1cn[nH]c1[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000257286489 190026977 /nfs/dbraw/zinc/02/69/77/190026977.db2.gz PLTOJNFAWICIDL-LBPRGKRZSA-N 1 2 273.340 1.321 40 0 CDABLO CCOC(=O)c1cc(N)c(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000070462670 390606333 /nfs/dbraw/zinc/60/63/33/390606333.db2.gz RBPCYWSSFKILOI-UHFFFAOYSA-N 1 2 297.786 1.851 40 0 CDABLO CC(C)[N@@H+]1CCO[C@H]2CN(Cc3nccs3)C[C@H]21 ZINC000096054278 390912410 /nfs/dbraw/zinc/91/24/10/390912410.db2.gz BHJKYJXTANASQN-NEPJUHHUSA-N 1 2 267.398 1.437 40 0 CDABLO CC(C)[N@H+]1CCO[C@H]2CN(Cc3nccs3)C[C@H]21 ZINC000096054278 390912411 /nfs/dbraw/zinc/91/24/11/390912411.db2.gz BHJKYJXTANASQN-NEPJUHHUSA-N 1 2 267.398 1.437 40 0 CDABLO CC(C)n1cc[nH+]c1CN1CCOC[C@H]1c1cc[nH]n1 ZINC000257298671 391649515 /nfs/dbraw/zinc/64/95/15/391649515.db2.gz RMVAHQCSIUBSBL-ZDUSSCGKSA-N 1 2 275.356 1.761 40 0 CDABLO CCOC(=O)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2[NH2+]1 ZINC000091303390 392743984 /nfs/dbraw/zinc/74/39/84/392743984.db2.gz SONYCWGYRAVLKE-GARJFASQSA-N 1 2 284.356 1.147 40 0 CDABLO c1c[nH+]c(CN2CCC(Oc3cnccn3)CC2)[nH]1 ZINC000072351011 176373853 /nfs/dbraw/zinc/37/38/53/176373853.db2.gz KGJJVZJCQHGGBI-UHFFFAOYSA-N 1 2 259.313 1.243 40 0 CDABLO c1c[nH]c(C[NH+]2CCC(Oc3cnccn3)CC2)n1 ZINC000072351011 176373854 /nfs/dbraw/zinc/37/38/54/176373854.db2.gz KGJJVZJCQHGGBI-UHFFFAOYSA-N 1 2 259.313 1.243 40 0 CDABLO Cc1cc([C@H]2CN(c3cc(C)[nH+]cn3)CCO2)nc(C)n1 ZINC000257292412 278712938 /nfs/dbraw/zinc/71/29/38/278712938.db2.gz QLHRLEHZLSMSJB-CQSZACIVSA-N 1 2 285.351 1.770 40 0 CDABLO COC[C@H]1Cn2cc[nH+]c2CN(C(=O)c2cccs2)C1 ZINC000096059102 293240768 /nfs/dbraw/zinc/24/07/68/293240768.db2.gz BHEZOXAXWWEGAR-NSHDSACASA-N 1 2 291.376 1.863 40 0 CDABLO CC(=O)N1CCC[C@]2(C1)C[N@H+](Cc1ccco1)CCO2 ZINC000096049096 185072300 /nfs/dbraw/zinc/07/23/00/185072300.db2.gz GGPRLAHWMQFYPI-OAHLLOKOSA-N 1 2 278.352 1.493 40 0 CDABLO CC(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1ccco1)CCO2 ZINC000096049096 185072301 /nfs/dbraw/zinc/07/23/01/185072301.db2.gz GGPRLAHWMQFYPI-OAHLLOKOSA-N 1 2 278.352 1.493 40 0 CDABLO Cc1cc(N2CCC(Oc3cnccn3)CC2)nc[nH+]1 ZINC000330112175 136382231 /nfs/dbraw/zinc/38/22/31/136382231.db2.gz BRBWBQDZLRZWDN-UHFFFAOYSA-N 1 2 271.324 1.623 40 0 CDABLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)C1CCOCC1 ZINC000130951016 136389026 /nfs/dbraw/zinc/38/90/26/136389026.db2.gz JOANQRXVIVBVAD-CQSZACIVSA-N 1 2 289.379 1.593 40 0 CDABLO C[NH+]1CC2(C1)OCC[C@H]2COc1ncccc1F ZINC000253612781 282675382 /nfs/dbraw/zinc/67/53/82/282675382.db2.gz IRCHXUKNRHMXLF-JTQLQIEISA-N 1 2 252.289 1.320 40 0 CDABLO CC[N@H+](Cc1nnnn1CCOC)Cc1ccccc1 ZINC000004230399 363213826 /nfs/dbraw/zinc/21/38/26/363213826.db2.gz ZGAODUQVAFFOOE-UHFFFAOYSA-N 1 2 275.356 1.342 40 0 CDABLO CC[N@@H+](Cc1nnnn1CCOC)Cc1ccccc1 ZINC000004230399 363213833 /nfs/dbraw/zinc/21/38/33/363213833.db2.gz ZGAODUQVAFFOOE-UHFFFAOYSA-N 1 2 275.356 1.342 40 0 CDABLO Cn1c2ccccc2[nH+]c1N1CCC(C(N)=O)CC1 ZINC000019289965 356480057 /nfs/dbraw/zinc/48/00/57/356480057.db2.gz UNJFKTJXUYPETH-UHFFFAOYSA-N 1 2 258.325 1.275 40 0 CDABLO C[N@@H+]1CCc2nc(N)c(C(=O)NC3(C)CCC3)cc2C1 ZINC000019700643 356495852 /nfs/dbraw/zinc/49/58/52/356495852.db2.gz JBZNUKOXFXTZLH-UHFFFAOYSA-N 1 2 274.368 1.324 40 0 CDABLO C[N@H+]1CCc2nc(N)c(C(=O)NC3(C)CCC3)cc2C1 ZINC000019700643 356495856 /nfs/dbraw/zinc/49/58/56/356495856.db2.gz JBZNUKOXFXTZLH-UHFFFAOYSA-N 1 2 274.368 1.324 40 0 CDABLO CC(C)c1nnc([C@@H]2COCCN2Cc2c[nH+]cn2C)o1 ZINC000328771878 202049939 /nfs/dbraw/zinc/04/99/39/202049939.db2.gz RHUUXEWHYDSCKS-LBPRGKRZSA-N 1 2 291.355 1.500 40 0 CDABLO COc1ccc(C=O)cc1OCCC[NH+]1CCOCC1 ZINC000089211640 357490041 /nfs/dbraw/zinc/49/00/41/357490041.db2.gz QXZARGFWSXUFKK-UHFFFAOYSA-N 1 2 279.336 1.609 40 0 CDABLO CCCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000068371079 357648314 /nfs/dbraw/zinc/64/83/14/357648314.db2.gz CJAXDXNFTIIBTB-UHFFFAOYSA-N 1 2 262.353 1.659 40 0 CDABLO Cc1cc(=O)[nH]c([C@H]2CCCN(c3cc(C)[nH+]cn3)C2)n1 ZINC000072364104 357830693 /nfs/dbraw/zinc/83/06/93/357830693.db2.gz GWNKUXGCILRDFK-LBPRGKRZSA-N 1 2 285.351 1.561 40 0 CDABLO CC(=O)NCC[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000072369087 357830796 /nfs/dbraw/zinc/83/07/96/357830796.db2.gz BWRAKOUGLIXDFD-CYBMUJFWSA-N 1 2 262.357 1.528 40 0 CDABLO O=C(c1cnccn1)N1C[C@H]2CN(c3cccc[nH+]3)C[C@H]2C1 ZINC000096182318 358713099 /nfs/dbraw/zinc/71/30/99/358713099.db2.gz IMFAXTZNLRZSLI-BETUJISGSA-N 1 2 295.346 1.080 40 0 CDABLO c1cc(CN2CCn3c(Cn4cncn4)c[nH+]c3C2)co1 ZINC000096201131 358718126 /nfs/dbraw/zinc/71/81/26/358718126.db2.gz JMRMFGYRXDPKKK-UHFFFAOYSA-N 1 2 284.323 1.132 40 0 CDABLO CC(C)[N@@H+]1CCO[C@H]2CN(C(=O)c3ccsc3)C[C@H]21 ZINC000096246448 358725365 /nfs/dbraw/zinc/72/53/65/358725365.db2.gz AOJSWOCAVASCIY-OLZOCXBDSA-N 1 2 280.393 1.682 40 0 CDABLO CC(C)[N@H+]1CCO[C@H]2CN(C(=O)c3ccsc3)C[C@H]21 ZINC000096246448 358725367 /nfs/dbraw/zinc/72/53/67/358725367.db2.gz AOJSWOCAVASCIY-OLZOCXBDSA-N 1 2 280.393 1.682 40 0 CDABLO c1cnn(Cc2nnn3c2C[N@H+](Cc2ccoc2)CCC3)c1 ZINC000096259544 358728785 /nfs/dbraw/zinc/72/87/85/358728785.db2.gz QHJYAWSPYJXZHQ-UHFFFAOYSA-N 1 2 298.350 1.522 40 0 CDABLO c1cnn(Cc2nnn3c2C[N@@H+](Cc2ccoc2)CCC3)c1 ZINC000096259544 358728788 /nfs/dbraw/zinc/72/87/88/358728788.db2.gz QHJYAWSPYJXZHQ-UHFFFAOYSA-N 1 2 298.350 1.522 40 0 CDABLO Cc1cccc(NC(=S)NCCCn2cc[nH+]c2)n1 ZINC000225522367 359596487 /nfs/dbraw/zinc/59/64/87/359596487.db2.gz AGTQJCMVLPGSDL-UHFFFAOYSA-N 1 2 275.381 1.963 40 0 CDABLO CCn1ccc(C[NH2+]Cc2cnn(CC(F)F)c2)n1 ZINC000256053275 190004962 /nfs/dbraw/zinc/00/49/62/190004962.db2.gz QUYILNLCNADYCQ-UHFFFAOYSA-N 1 2 269.299 1.654 40 0 CDABLO Cc1nn(C)c(F)c1C[NH2+]Cc1ccn(C(C)C)n1 ZINC000256054904 190005685 /nfs/dbraw/zinc/00/56/85/190005685.db2.gz YGZGMPRDXFXPOZ-UHFFFAOYSA-N 1 2 265.336 1.935 40 0 CDABLO CC(C)C(=O)N[C@H]1CC[N@H+](Cc2cscn2)CC[C@@H]1O ZINC000257214289 190013388 /nfs/dbraw/zinc/01/33/88/190013388.db2.gz CLKWYCDPVTWIMC-STQMWFEESA-N 1 2 297.424 1.241 40 0 CDABLO CC(C)C(=O)N[C@H]1CC[N@@H+](Cc2cscn2)CC[C@@H]1O ZINC000257214289 190013389 /nfs/dbraw/zinc/01/33/89/190013389.db2.gz CLKWYCDPVTWIMC-STQMWFEESA-N 1 2 297.424 1.241 40 0 CDABLO Cc1cc(C[N@@H+]2CC[C@H](O)[C@]3(CCCO3)C2)no1 ZINC000257249355 190020228 /nfs/dbraw/zinc/02/02/28/190020228.db2.gz JHWHSELBXQNOLZ-STQMWFEESA-N 1 2 252.314 1.099 40 0 CDABLO Cc1cc(C[N@H+]2CC[C@H](O)[C@]3(CCCO3)C2)no1 ZINC000257249355 190020229 /nfs/dbraw/zinc/02/02/29/190020229.db2.gz JHWHSELBXQNOLZ-STQMWFEESA-N 1 2 252.314 1.099 40 0 CDABLO Cc1cnccc1C[N@@H+]1CCO[C@H](c2cccc(N)n2)C1 ZINC000257277513 190025721 /nfs/dbraw/zinc/02/57/21/190025721.db2.gz NYGLJZDWENSAST-HNNXBMFYSA-N 1 2 284.363 1.941 40 0 CDABLO Cc1cnccc1C[N@H+]1CCO[C@H](c2cccc(N)n2)C1 ZINC000257277513 190025722 /nfs/dbraw/zinc/02/57/22/190025722.db2.gz NYGLJZDWENSAST-HNNXBMFYSA-N 1 2 284.363 1.941 40 0 CDABLO Cc1c[nH]nc1[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000257286488 190027038 /nfs/dbraw/zinc/02/70/38/190027038.db2.gz PLTOJNFAWICIDL-GFCCVEGCSA-N 1 2 273.340 1.321 40 0 CDABLO Cc1cn[nH]c1[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000257286488 190027039 /nfs/dbraw/zinc/02/70/39/190027039.db2.gz PLTOJNFAWICIDL-GFCCVEGCSA-N 1 2 273.340 1.321 40 0 CDABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3ccncc3)C2)[nH+]1 ZINC000257293226 190028842 /nfs/dbraw/zinc/02/88/42/190028842.db2.gz QOPYNOFXVDHSDL-GFCCVEGCSA-N 1 2 256.309 1.743 40 0 CDABLO O[C@@H]1C[N@H+](Cc2cnccn2)C[C@H]1Oc1cccc(F)c1 ZINC000257334665 190036640 /nfs/dbraw/zinc/03/66/40/190036640.db2.gz YGWRFRHJSXHQTR-HUUCEWRRSA-N 1 2 289.310 1.240 40 0 CDABLO O[C@@H]1C[N@@H+](Cc2cnccn2)C[C@H]1Oc1cccc(F)c1 ZINC000257334665 190036641 /nfs/dbraw/zinc/03/66/41/190036641.db2.gz YGWRFRHJSXHQTR-HUUCEWRRSA-N 1 2 289.310 1.240 40 0 CDABLO CC[C@@H](O)c1ccc(N2CCN(C(C)=O)CC2)[nH+]c1 ZINC000072225635 390625946 /nfs/dbraw/zinc/62/59/46/390625946.db2.gz LCXFLVSPYWHIKF-CYBMUJFWSA-N 1 2 263.341 1.194 40 0 CDABLO CC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000038408274 174141233 /nfs/dbraw/zinc/14/12/33/174141233.db2.gz DPDFTYHNUYNJSU-UHFFFAOYSA-N 1 2 294.420 1.502 40 0 CDABLO CNC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000072366141 176381333 /nfs/dbraw/zinc/38/13/33/176381333.db2.gz BXGCYLFOLFOEFM-CYBMUJFWSA-N 1 2 285.351 1.501 40 0 CDABLO CNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000072366141 176381335 /nfs/dbraw/zinc/38/13/35/176381335.db2.gz BXGCYLFOLFOEFM-CYBMUJFWSA-N 1 2 285.351 1.501 40 0 CDABLO NC(=O)C[N@@H+]1CCC[C@@H](c2cc3ccccc3c(=O)[nH]2)C1 ZINC000072367846 176382752 /nfs/dbraw/zinc/38/27/52/176382752.db2.gz ZUEBUEIPZZDFQG-GFCCVEGCSA-N 1 2 285.347 1.605 40 0 CDABLO NC(=O)C[N@H+]1CCC[C@@H](c2cc3ccccc3c(=O)[nH]2)C1 ZINC000072367846 176382753 /nfs/dbraw/zinc/38/27/53/176382753.db2.gz ZUEBUEIPZZDFQG-GFCCVEGCSA-N 1 2 285.347 1.605 40 0 CDABLO Cc1cc(C(=O)NC2CC2)nc([C@@H]2CCC[N@H+]2C)n1 ZINC000072369331 176384114 /nfs/dbraw/zinc/38/41/14/176384114.db2.gz ZXPAOYYORKIYPO-LBPRGKRZSA-N 1 2 260.341 1.444 40 0 CDABLO Cc1cc(C(=O)NC2CC2)nc([C@@H]2CCC[N@@H+]2C)n1 ZINC000072369331 176384115 /nfs/dbraw/zinc/38/41/15/176384115.db2.gz ZXPAOYYORKIYPO-LBPRGKRZSA-N 1 2 260.341 1.444 40 0 CDABLO CCOc1ccccc1OC[C@@H]1C[N@H+](C)CCO1 ZINC000077311387 177251034 /nfs/dbraw/zinc/25/10/34/177251034.db2.gz VZKFJMVFJRJATA-LBPRGKRZSA-N 1 2 251.326 1.795 40 0 in-vitro CDABLO CCOc1ccccc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC000077311387 177251036 /nfs/dbraw/zinc/25/10/36/177251036.db2.gz VZKFJMVFJRJATA-LBPRGKRZSA-N 1 2 251.326 1.795 40 0 in-vitro CDABLO COCCn1cc2[nH]c(N3CCC[C@H](C)C3)[nH+]cc-2c1=O ZINC000046088024 423930473 /nfs/dbraw/zinc/93/04/73/423930473.db2.gz NNIDWVYCJLJGEI-NSHDSACASA-N 1 2 290.367 1.315 40 0 CDABLO Cc1noc(C2CCN(c3cc(C)[nH+]cn3)CC2)n1 ZINC000072385539 279251650 /nfs/dbraw/zinc/25/16/50/279251650.db2.gz RFZRKMAWQUODNY-UHFFFAOYSA-N 1 2 259.313 1.860 40 0 CDABLO C[N@@H+]1CCO[C@H](CNc2cnc(-c3ccccc3)cn2)C1 ZINC000570751173 294301590 /nfs/dbraw/zinc/30/15/90/294301590.db2.gz LDLFDVWXKMYILN-CQSZACIVSA-N 1 2 284.363 1.886 40 0 CDABLO C[N@H+]1CCO[C@H](CNc2cnc(-c3ccccc3)cn2)C1 ZINC000570751173 294301591 /nfs/dbraw/zinc/30/15/91/294301591.db2.gz LDLFDVWXKMYILN-CQSZACIVSA-N 1 2 284.363 1.886 40 0 CDABLO C[N@H+]1Cc2ccnn2[C@@H](CCNC(=O)c2ccco2)C1 ZINC000585112679 342213507 /nfs/dbraw/zinc/21/35/07/342213507.db2.gz VEERSAWKSOIYTM-NSHDSACASA-N 1 2 274.324 1.283 40 0 CDABLO C[N@@H+]1Cc2ccnn2[C@@H](CCNC(=O)c2ccco2)C1 ZINC000585112679 342213508 /nfs/dbraw/zinc/21/35/08/342213508.db2.gz VEERSAWKSOIYTM-NSHDSACASA-N 1 2 274.324 1.283 40 0 CDABLO COC[C@H]1C[N@H+](Cc2scnc2C)Cc2c1cnn2C ZINC000248032309 362144539 /nfs/dbraw/zinc/14/45/39/362144539.db2.gz LQOGGUCAKPLXSF-LLVKDONJSA-N 1 2 292.408 1.931 40 0 CDABLO COC[C@H]1C[N@@H+](Cc2scnc2C)Cc2c1cnn2C ZINC000248032309 362144546 /nfs/dbraw/zinc/14/45/46/362144546.db2.gz LQOGGUCAKPLXSF-LLVKDONJSA-N 1 2 292.408 1.931 40 0 CDABLO COc1ncccc1C[N@H+]1Cc2cccn2C[C@@H](OC)C1 ZINC000247841090 362134531 /nfs/dbraw/zinc/13/45/31/362134531.db2.gz KXMWIBPVBRRLEC-HNNXBMFYSA-N 1 2 287.363 1.923 40 0 CDABLO COc1ncccc1C[N@@H+]1Cc2cccn2C[C@@H](OC)C1 ZINC000247841090 362134537 /nfs/dbraw/zinc/13/45/37/362134537.db2.gz KXMWIBPVBRRLEC-HNNXBMFYSA-N 1 2 287.363 1.923 40 0 CDABLO Cn1cc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)nn1 ZINC000332460608 362541998 /nfs/dbraw/zinc/54/19/98/362541998.db2.gz IYLATWHLCJXVED-HNNXBMFYSA-N 1 2 294.399 1.365 40 0 CDABLO CN(C(=O)c1ccnn1C)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257307417 362583887 /nfs/dbraw/zinc/58/38/87/362583887.db2.gz SYOBNSCEIPWBGA-CYBMUJFWSA-N 1 2 299.378 1.556 40 0 CDABLO Cn1c[nH+]c(CCN2C(=O)NC3(CCCCCC3)C2=O)c1 ZINC000333537244 363018387 /nfs/dbraw/zinc/01/83/87/363018387.db2.gz NGJHMJNRSCZPHY-UHFFFAOYSA-N 1 2 290.367 1.607 40 0 CDABLO CC(=O)Nc1ccc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000012146528 356288676 /nfs/dbraw/zinc/28/86/76/356288676.db2.gz WMKCQTBCYURHDM-AWEZNQCLSA-N 1 2 296.392 1.264 40 0 CDABLO CC(=O)Nc1ccc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000012146528 356288677 /nfs/dbraw/zinc/28/86/77/356288677.db2.gz WMKCQTBCYURHDM-AWEZNQCLSA-N 1 2 296.392 1.264 40 0 CDABLO CN1Cc2[nH+]c[nH]c2C[C@H]1C(=O)NC1CCCCC1 ZINC000012530209 283256911 /nfs/dbraw/zinc/25/69/11/283256911.db2.gz FZRNZWBVXWRKNQ-ZDUSSCGKSA-N 1 2 262.357 1.215 40 0 biogenic,in-vitro CDABLO CS(=O)(=O)CCCOc1cccc(-n2cc[nH+]c2)c1 ZINC000072674452 358550710 /nfs/dbraw/zinc/55/07/10/358550710.db2.gz CEKFZRDXWHSDIJ-UHFFFAOYSA-N 1 2 280.349 1.686 40 0 CDABLO CCOC[C@H]1Cn2c[nH+]cc2CN(C(=O)C2CC=CC2)C1 ZINC000096207102 358720062 /nfs/dbraw/zinc/72/00/62/358720062.db2.gz JBSKQDOFJQGXLJ-CYBMUJFWSA-N 1 2 289.379 1.844 40 0 CDABLO CNC(=O)[C@H]1C[C@@H]2C[N@H+](Cc3cccc(OC)c3)C[C@H]1O2 ZINC000096252769 358728027 /nfs/dbraw/zinc/72/80/27/358728027.db2.gz RBMBACPFTJZJJZ-QLFBSQMISA-N 1 2 290.363 1.031 40 0 CDABLO CNC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3cccc(OC)c3)C[C@H]1O2 ZINC000096252769 358728030 /nfs/dbraw/zinc/72/80/30/358728030.db2.gz RBMBACPFTJZJJZ-QLFBSQMISA-N 1 2 290.363 1.031 40 0 CDABLO C[NH+](C)CCC[NH2+]Cc1ccccc1OCC(=O)[O-] ZINC000062718523 358780660 /nfs/dbraw/zinc/78/06/60/358780660.db2.gz XASJZEZUPBRCNC-UHFFFAOYSA-N 1 2 266.341 1.191 40 0 CDABLO COc1ccc(-c2nc(NCCO)cc(C)[nH+]2)cc1OC ZINC000224206022 359495702 /nfs/dbraw/zinc/49/57/02/359495702.db2.gz OPYJLOKIRANHIK-UHFFFAOYSA-N 1 2 289.335 1.873 40 0 CDABLO CCCN(CC1CC1)c1nc[nH+]c2c1NC(=O)CN2 ZINC000041121383 359684043 /nfs/dbraw/zinc/68/40/43/359684043.db2.gz ZUILXPYIECWMSM-UHFFFAOYSA-N 1 2 261.329 1.467 40 0 CDABLO CCCN(CC1CC1)c1[nH+]cnc2c1NC(=O)CN2 ZINC000041121383 359684045 /nfs/dbraw/zinc/68/40/45/359684045.db2.gz ZUILXPYIECWMSM-UHFFFAOYSA-N 1 2 261.329 1.467 40 0 CDABLO C/C=C/C=C/C(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000073118273 360273699 /nfs/dbraw/zinc/27/36/99/360273699.db2.gz JFAAYJJBLJHMJY-KANVGOIPSA-N 1 2 279.409 1.754 40 0 CDABLO Cc1[nH+]c2cc(NC(=O)Nc3nc[nH]n3)ccc2n1C ZINC000409141621 363927555 /nfs/dbraw/zinc/92/75/55/363927555.db2.gz IINMIGVTBXFALT-UHFFFAOYSA-N 1 2 271.284 1.066 40 0 CDABLO CS(=O)(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000330827128 203284478 /nfs/dbraw/zinc/28/44/78/203284478.db2.gz SIDJLNXOAYVOCT-UHFFFAOYSA-N 1 2 271.386 1.335 40 0 CDABLO COC(=O)[C@@H]1Cc2[nH+]cn(C)c2CN1C(=O)c1ccccc1 ZINC000015676563 284198234 /nfs/dbraw/zinc/19/82/34/284198234.db2.gz QMGQBULJTYFHRX-ZDUSSCGKSA-N 1 2 299.330 1.160 40 0 biogenic,in-vitro CDABLO C[C@H](C(N)=O)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057370971 375490790 /nfs/dbraw/zinc/49/07/90/375490790.db2.gz JXBLPUHODMGDPS-SNVBAGLBSA-N 1 2 267.760 1.336 40 0 CDABLO Cc1cccc(OC[C@@H]2C[N@H+](CCO)CCO2)c1 ZINC000217489161 375656198 /nfs/dbraw/zinc/65/61/98/375656198.db2.gz MFZCJBASDQQOPZ-AWEZNQCLSA-N 1 2 251.326 1.067 40 0 CDABLO Cc1cccc(OC[C@@H]2C[N@@H+](CCO)CCO2)c1 ZINC000217489161 375656209 /nfs/dbraw/zinc/65/62/09/375656209.db2.gz MFZCJBASDQQOPZ-AWEZNQCLSA-N 1 2 251.326 1.067 40 0 CDABLO Cc1cnccc1C[N@@H+]1CCO[C@@H](c2cccc(N)n2)C1 ZINC000257277514 190025349 /nfs/dbraw/zinc/02/53/49/190025349.db2.gz NYGLJZDWENSAST-OAHLLOKOSA-N 1 2 284.363 1.941 40 0 CDABLO Cc1cnccc1C[N@H+]1CCO[C@@H](c2cccc(N)n2)C1 ZINC000257277514 190025350 /nfs/dbraw/zinc/02/53/50/190025350.db2.gz NYGLJZDWENSAST-OAHLLOKOSA-N 1 2 284.363 1.941 40 0 CDABLO Cc1[nH+]c[nH]c1CN1CCO[C@H](c2nc(C)cc(=O)[nH]2)C1 ZINC000257290336 190027703 /nfs/dbraw/zinc/02/77/03/190027703.db2.gz QCNCFUYAXBZQBL-LBPRGKRZSA-N 1 2 289.339 1.096 40 0 CDABLO CC(=O)N1CCO[C@@H](c2cccc(-c3ccc(N)[nH+]c3)n2)C1 ZINC000257314761 190033061 /nfs/dbraw/zinc/03/30/61/190033061.db2.gz UYIKKAQXCWCQMJ-OAHLLOKOSA-N 1 2 298.346 1.646 40 0 CDABLO Cn1cccc1C(=O)N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257323992 190033987 /nfs/dbraw/zinc/03/39/87/190033987.db2.gz WMSHWOJLXCNBBT-UMVBOHGHSA-N 1 2 291.395 1.133 40 0 CDABLO O=CN1CCN(c2ccc([C@@H](O)c3ccccc3)c[nH+]2)CC1 ZINC000072225592 390626151 /nfs/dbraw/zinc/62/61/51/390626151.db2.gz KQOZLVHWIAAMGZ-KRWDZBQOSA-N 1 2 297.358 1.442 40 0 CDABLO O=C1CO[C@H]2CN(Cc3[nH]cc[nH+]3)C[C@H]2N1c1ccccc1 ZINC000067897067 134940896 /nfs/dbraw/zinc/94/08/96/134940896.db2.gz XLPVEGYDYXSLLX-KGLIPLIRSA-N 1 2 298.346 1.026 40 0 biogenic,in-vitro CDABLO Cc1ccc(C)c(N2CC[NH+](Cc3nccc(N)n3)CC2)c1 ZINC000135160671 135082902 /nfs/dbraw/zinc/08/29/02/135082902.db2.gz UWBLUXSVNGQXGX-UHFFFAOYSA-N 1 2 297.406 1.998 40 0 CDABLO c1nn(-c2ccccn2)c2nc[nH+]c(N3CCOCC3)c12 ZINC000041529255 285592815 /nfs/dbraw/zinc/59/28/15/285592815.db2.gz DDFSKYMBENYHQZ-UHFFFAOYSA-N 1 2 282.307 1.047 40 0 CDABLO CC(C)Nc1nc(N2CCCCC2)nc(NCCO)[nH+]1 ZINC000005000671 170052996 /nfs/dbraw/zinc/05/29/96/170052996.db2.gz LWBUIWVCVCKJSU-UHFFFAOYSA-N 1 2 280.376 1.086 40 0 CDABLO CC(C)Nc1nc(NCCO)[nH+]c(N2CCCCC2)n1 ZINC000005000671 170052997 /nfs/dbraw/zinc/05/29/97/170052997.db2.gz LWBUIWVCVCKJSU-UHFFFAOYSA-N 1 2 280.376 1.086 40 0 CDABLO CC(C)Nc1nc(NCCO)nc(N2CCCCC2)[nH+]1 ZINC000005000671 170052999 /nfs/dbraw/zinc/05/29/99/170052999.db2.gz LWBUIWVCVCKJSU-UHFFFAOYSA-N 1 2 280.376 1.086 40 0 CDABLO CN(CCO)C(=O)[C@H]1Nc2[nH+]cccc2Cc2ccccc21 ZINC000038600356 174148996 /nfs/dbraw/zinc/14/89/96/174148996.db2.gz UVYLJXBAHSKFIZ-HNNXBMFYSA-N 1 2 297.358 1.590 40 0 in-vitro CDABLO CNc1cccc([C@@H]2CCCN(C(=O)COC)C2)[nH+]1 ZINC000072356621 176375501 /nfs/dbraw/zinc/37/55/01/176375501.db2.gz KOMUNJIQXLWBBU-LLVKDONJSA-N 1 2 263.341 1.476 40 0 CDABLO Cc1c[nH]nc1[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000072366160 176380970 /nfs/dbraw/zinc/38/09/70/176380970.db2.gz VIWWGGULMPOMKP-NSHDSACASA-N 1 2 259.313 1.278 40 0 CDABLO Cc1c[nH]nc1[C@H]1COCC[N@@H+]1C1CCOCC1 ZINC000257250293 302330271 /nfs/dbraw/zinc/33/02/71/302330271.db2.gz JLXVSDLDBMJCBO-GFCCVEGCSA-N 1 2 251.330 1.270 40 0 CDABLO Cc1c[nH]nc1[C@H]1COCC[N@H+]1C1CCOCC1 ZINC000257250293 302330274 /nfs/dbraw/zinc/33/02/74/302330274.db2.gz JLXVSDLDBMJCBO-GFCCVEGCSA-N 1 2 251.330 1.270 40 0 CDABLO Cc1cn[nH]c1[C@H]1COCC[N@@H+]1C1CCOCC1 ZINC000257250293 302330277 /nfs/dbraw/zinc/33/02/77/302330277.db2.gz JLXVSDLDBMJCBO-GFCCVEGCSA-N 1 2 251.330 1.270 40 0 CDABLO Cc1cn[nH]c1[C@H]1COCC[N@H+]1C1CCOCC1 ZINC000257250293 302330281 /nfs/dbraw/zinc/33/02/81/302330281.db2.gz JLXVSDLDBMJCBO-GFCCVEGCSA-N 1 2 251.330 1.270 40 0 CDABLO OC[C@H]1CCn2nccc2C[N@@H+]1Cc1cccnc1 ZINC000585098072 342211623 /nfs/dbraw/zinc/21/16/23/342211623.db2.gz TUWYOHMDFDYDSV-CQSZACIVSA-N 1 2 258.325 1.045 40 0 CDABLO OC[C@H]1CCn2nccc2C[N@H+]1Cc1cccnc1 ZINC000585098072 342211624 /nfs/dbraw/zinc/21/16/24/342211624.db2.gz TUWYOHMDFDYDSV-CQSZACIVSA-N 1 2 258.325 1.045 40 0 CDABLO COc1ccc([C@@H](C[NH3+])[N@@H+]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000248255445 362160352 /nfs/dbraw/zinc/16/03/52/362160352.db2.gz RWYGQCFWBARQPA-DGCLKSJQSA-N 1 2 264.325 1.102 40 0 CDABLO COc1ccc([C@@H](C[NH3+])[N@H+]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000248255445 362160360 /nfs/dbraw/zinc/16/03/60/362160360.db2.gz RWYGQCFWBARQPA-DGCLKSJQSA-N 1 2 264.325 1.102 40 0 CDABLO c1[nH+]cn2c1CN(c1ncccn1)C[C@H]2COCC1CC1 ZINC000253596081 362440880 /nfs/dbraw/zinc/44/08/80/362440880.db2.gz MYTMLRPBDLCZLK-AWEZNQCLSA-N 1 2 285.351 1.661 40 0 CDABLO CC(=O)NCC[C@@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000072369030 357830959 /nfs/dbraw/zinc/83/09/59/357830959.db2.gz BENXAGIOOFVZGL-ZDUSSCGKSA-N 1 2 262.357 1.528 40 0 CDABLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2cnnn2C)CC1 ZINC000093413141 358605229 /nfs/dbraw/zinc/60/52/29/358605229.db2.gz IPRVJSBBMJHTAL-CYBMUJFWSA-N 1 2 286.383 1.089 40 0 CDABLO C[C@@H]1CCCN1C(=O)c1n[nH]c2c1C[N@H+](CC1CC1)CC2 ZINC000096187414 358715268 /nfs/dbraw/zinc/71/52/68/358715268.db2.gz KUYYWMWOXWKPEM-LLVKDONJSA-N 1 2 288.395 1.802 40 0 CDABLO C[C@@H]1CCCN1C(=O)c1n[nH]c2c1C[N@@H+](CC1CC1)CC2 ZINC000096187414 358715271 /nfs/dbraw/zinc/71/52/71/358715271.db2.gz KUYYWMWOXWKPEM-LLVKDONJSA-N 1 2 288.395 1.802 40 0 CDABLO CCOC(=O)c1cn(C)nc1C[N@@H+]1CCCC[C@H]1C ZINC000575441584 365004903 /nfs/dbraw/zinc/00/49/03/365004903.db2.gz YJKUNATZUDHLQM-LLVKDONJSA-N 1 2 265.357 1.971 40 0 CDABLO CCOC(=O)c1cn(C)nc1C[N@H+]1CCCC[C@H]1C ZINC000575441584 365004907 /nfs/dbraw/zinc/00/49/07/365004907.db2.gz YJKUNATZUDHLQM-LLVKDONJSA-N 1 2 265.357 1.971 40 0 CDABLO CCN1CC(=O)N(Cc2ccn3cc[nH+]c3c2)C1=O ZINC000272174281 365117072 /nfs/dbraw/zinc/11/70/72/365117072.db2.gz OIDHBBHKYDCCKZ-UHFFFAOYSA-N 1 2 258.281 1.118 40 0 CDABLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC(F)(F)F)CCS1 ZINC000076073330 366968115 /nfs/dbraw/zinc/96/81/15/366968115.db2.gz JEMIXQRJLSFMKA-DTWKUNHWSA-N 1 2 284.347 1.881 40 0 CDABLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC(F)(F)F)CCS1 ZINC000076073330 366968118 /nfs/dbraw/zinc/96/81/18/366968118.db2.gz JEMIXQRJLSFMKA-DTWKUNHWSA-N 1 2 284.347 1.881 40 0 CDABLO Cc1cccc(OC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000019913871 373886913 /nfs/dbraw/zinc/88/69/13/373886913.db2.gz AFVBZGSLSAQWCI-CYBMUJFWSA-N 1 2 251.326 1.067 40 0 CDABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3cnccn3)C2)[nH+]1 ZINC000257273531 190025009 /nfs/dbraw/zinc/02/50/09/190025009.db2.gz NGZRUBQZRQVHNL-SNVBAGLBSA-N 1 2 257.297 1.138 40 0 CDABLO OCC[N@@H+]1CCO[C@H](Cc2ccccc2Cl)C1 ZINC000257300704 190029950 /nfs/dbraw/zinc/02/99/50/190029950.db2.gz RVJOHDBFEPINBE-GFCCVEGCSA-N 1 2 255.745 1.576 40 0 CDABLO OCC[N@H+]1CCO[C@H](Cc2ccccc2Cl)C1 ZINC000257300704 190029951 /nfs/dbraw/zinc/02/99/51/190029951.db2.gz RVJOHDBFEPINBE-GFCCVEGCSA-N 1 2 255.745 1.576 40 0 CDABLO Cc1cc(N)nc([C@]2(C)CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000257301303 190030602 /nfs/dbraw/zinc/03/06/02/190030602.db2.gz RXWQQALLMISXND-AWEZNQCLSA-N 1 2 272.356 1.602 40 0 CDABLO CCCS(=O)(=O)N1CCC[C@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257311796 190032164 /nfs/dbraw/zinc/03/21/64/190032164.db2.gz ULAPFNFRRCZERX-NSHDSACASA-N 1 2 271.386 1.637 40 0 CDABLO Cc1c[nH]c([C@@H]2CCN(S(=O)(=O)c3cccs3)C2)[nH+]1 ZINC000257327389 190034838 /nfs/dbraw/zinc/03/48/38/190034838.db2.gz XBDHVDBTXLLWCE-SNVBAGLBSA-N 1 2 297.405 1.958 40 0 CDABLO C[N@H+](CC(=O)Nc1nccs1)Cc1ccco1 ZINC000041392461 379370087 /nfs/dbraw/zinc/37/00/87/379370087.db2.gz FMILDIRYFKSXEL-UHFFFAOYSA-N 1 2 251.311 1.807 40 0 CDABLO C[N@@H+](CC(=O)Nc1nccs1)Cc1ccco1 ZINC000041392461 379370100 /nfs/dbraw/zinc/37/01/00/379370100.db2.gz FMILDIRYFKSXEL-UHFFFAOYSA-N 1 2 251.311 1.807 40 0 CDABLO CC[NH+]1CCN(S(=O)(=O)c2cccc(COC)c2)CC1 ZINC000072240309 176348091 /nfs/dbraw/zinc/34/80/91/176348091.db2.gz LYJAPFVLRBSDQP-UHFFFAOYSA-N 1 2 298.408 1.159 40 0 CDABLO Cc1cc(C(=O)NC2CC2)nc([C@H]2CCC[N@H+]2C)n1 ZINC000072369332 176384369 /nfs/dbraw/zinc/38/43/69/176384369.db2.gz ZXPAOYYORKIYPO-GFCCVEGCSA-N 1 2 260.341 1.444 40 0 CDABLO Cc1cc(C(=O)NC2CC2)nc([C@H]2CCC[N@@H+]2C)n1 ZINC000072369332 176384370 /nfs/dbraw/zinc/38/43/70/176384370.db2.gz ZXPAOYYORKIYPO-GFCCVEGCSA-N 1 2 260.341 1.444 40 0 CDABLO CC(=O)N1CCC[C@H](c2cnc(-n3cc[nH+]c3)cn2)C1 ZINC000072386563 176392227 /nfs/dbraw/zinc/39/22/27/176392227.db2.gz ZWFTYMBLZONVCN-LBPRGKRZSA-N 1 2 271.324 1.388 40 0 CDABLO C[NH+](C)[C@@H]1[C@@H](c2ccccc2)S(=O)(=O)C1(C)C ZINC000031717077 289336176 /nfs/dbraw/zinc/33/61/76/289336176.db2.gz YSNZOYXZGPHAOW-VXGBXAGGSA-N 1 2 253.367 1.865 40 0 CDABLO Cc1nn(-c2ccc(Cl)cc2)c2nc(N)[nH+]c(N)c12 ZINC000013211911 293682255 /nfs/dbraw/zinc/68/22/55/293682255.db2.gz NZTCSBSRZALNEY-UHFFFAOYSA-N 1 2 274.715 1.942 40 0 CDABLO CO[C@@H]1CCOC2(C[NH+](Cc3ccc4c(c3)OCO4)C2)C1 ZINC000247919331 362138215 /nfs/dbraw/zinc/13/82/15/362138215.db2.gz BWYQRAXARQJGHE-CYBMUJFWSA-N 1 2 291.347 1.795 40 0 CDABLO O=C(NCCc1ccccn1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000043679987 348739699 /nfs/dbraw/zinc/73/96/99/348739699.db2.gz PIALROXQJJAGJB-UHFFFAOYSA-N 1 2 293.330 1.635 40 0 CDABLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C1CCCC1 ZINC000152749376 188040852 /nfs/dbraw/zinc/04/08/52/188040852.db2.gz UYDYSXPHQILLFA-ZDUSSCGKSA-N 1 2 259.353 1.967 40 0 CDABLO COc1ccc([C@@H](C[NH+]2CCOCC2)C(C)=O)cc1OC ZINC000031793505 356769810 /nfs/dbraw/zinc/76/98/10/356769810.db2.gz DQLLFWJHEWQATF-AWEZNQCLSA-N 1 2 293.363 1.709 40 0 CDABLO Cc1cc(N2CCC[C@H](c3ccc(C(N)=O)cn3)C2)nc[nH+]1 ZINC000072364094 357829523 /nfs/dbraw/zinc/82/95/23/357829523.db2.gz GJLGPPNIPOZFFY-ZDUSSCGKSA-N 1 2 297.362 1.663 40 0 CDABLO COCC[N@@H+]1CCN(C(C)=O)C[C@@H]1c1ccccc1OC ZINC000072366631 357830567 /nfs/dbraw/zinc/83/05/67/357830567.db2.gz CWGRDVVLXNBQMH-OAHLLOKOSA-N 1 2 292.379 1.547 40 0 CDABLO COCC[N@H+]1CCN(C(C)=O)C[C@@H]1c1ccccc1OC ZINC000072366631 357830568 /nfs/dbraw/zinc/83/05/68/357830568.db2.gz CWGRDVVLXNBQMH-OAHLLOKOSA-N 1 2 292.379 1.547 40 0 CDABLO Cc1cc(=O)[nH]c([C@@H]2CCCN(c3cc(C)[nH+]cn3)C2)n1 ZINC000072364105 357830678 /nfs/dbraw/zinc/83/06/78/357830678.db2.gz GWNKUXGCILRDFK-GFCCVEGCSA-N 1 2 285.351 1.561 40 0 CDABLO Cc1ccc(CN2CCO[C@H]3C[N@H+](CCF)C[C@H]32)o1 ZINC000096248811 358726292 /nfs/dbraw/zinc/72/62/92/358726292.db2.gz RPGIUTRHXWOYLT-KGLIPLIRSA-N 1 2 268.332 1.443 40 0 CDABLO Cc1ccc(CN2CCO[C@H]3C[N@@H+](CCF)C[C@H]32)o1 ZINC000096248811 358726296 /nfs/dbraw/zinc/72/62/96/358726296.db2.gz RPGIUTRHXWOYLT-KGLIPLIRSA-N 1 2 268.332 1.443 40 0 CDABLO C[NH+]1CCN(C(=O)[C@@]2(C)CC(c3cccs3)=NO2)CC1 ZINC000226747905 375393444 /nfs/dbraw/zinc/39/34/44/375393444.db2.gz JMITWINUUSYITK-CQSZACIVSA-N 1 2 293.392 1.405 40 0 CDABLO O=C(NCCCn1cc[nH+]c1)c1cn(-c2ccccc2)cn1 ZINC000227116027 375445789 /nfs/dbraw/zinc/44/57/89/375445789.db2.gz ZDAIIDTYWHMONJ-UHFFFAOYSA-N 1 2 295.346 1.889 40 0 CDABLO CCc1cc(C(=O)N2CCOC[C@@H]2c2[nH]cc(C)[nH+]2)on1 ZINC000257255133 190020795 /nfs/dbraw/zinc/02/07/95/190020795.db2.gz KGFROTROFUNTMR-LLVKDONJSA-N 1 2 290.323 1.482 40 0 CDABLO Cc1c[nH]c([C@H]2CCN(C(=O)CCn3nccc3C)C2)[nH+]1 ZINC000257270313 190023871 /nfs/dbraw/zinc/02/38/71/190023871.db2.gz MTQUVLQOVOPRPT-ZDUSSCGKSA-N 1 2 287.367 1.629 40 0 CDABLO O[C@H]1C[N@H+](Cc2cscn2)CC[C@@]12CCCO2 ZINC000257280563 190025303 /nfs/dbraw/zinc/02/53/03/190025303.db2.gz OLJRJLUBBYTYFC-RYUDHWBXSA-N 1 2 254.355 1.259 40 0 CDABLO O[C@H]1C[N@@H+](Cc2cscn2)CC[C@@]12CCCO2 ZINC000257280563 190025304 /nfs/dbraw/zinc/02/53/04/190025304.db2.gz OLJRJLUBBYTYFC-RYUDHWBXSA-N 1 2 254.355 1.259 40 0 CDABLO Cc1c[nH]nc1[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000257314781 190032465 /nfs/dbraw/zinc/03/24/65/190032465.db2.gz UYKNABHCFKATSY-CYBMUJFWSA-N 1 2 287.367 1.711 40 0 CDABLO Cc1cn[nH]c1[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000257314781 190032466 /nfs/dbraw/zinc/03/24/66/190032466.db2.gz UYKNABHCFKATSY-CYBMUJFWSA-N 1 2 287.367 1.711 40 0 CDABLO CS(=O)(=O)N1CCC(c2cccc3[nH+]ccn32)CC1 ZINC000257332369 190035262 /nfs/dbraw/zinc/03/52/62/190035262.db2.gz XWZBHEUEDRGNHK-UHFFFAOYSA-N 1 2 279.365 1.473 40 0 CDABLO CC[NH+]1CCN(C(=O)[C@]23CC[C@](C)(C(=O)C2)C3(C)C)CC1 ZINC000019810968 378934772 /nfs/dbraw/zinc/93/47/72/378934772.db2.gz HDHOCXQWYZHQRP-SJORKVTESA-N 1 2 292.423 1.936 40 0 CDABLO CC(=O)N1CC[NH+]([C@@H](C)C(=O)NCC2CCCCC2)CC1 ZINC000043304799 175003391 /nfs/dbraw/zinc/00/33/91/175003391.db2.gz WRLOGNJSEPLCPU-ZDUSSCGKSA-N 1 2 295.427 1.236 40 0 CDABLO Cc1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccccc1F)C2 ZINC000072373668 176384958 /nfs/dbraw/zinc/38/49/58/176384958.db2.gz HETRHXVTDCGMIC-UHFFFAOYSA-N 1 2 273.311 1.776 40 0 CDABLO Cc1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccccc1F)C2 ZINC000072373668 176384959 /nfs/dbraw/zinc/38/49/59/176384959.db2.gz HETRHXVTDCGMIC-UHFFFAOYSA-N 1 2 273.311 1.776 40 0 CDABLO CS(=O)(=O)N1CCC[C@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072378741 176386134 /nfs/dbraw/zinc/38/61/34/176386134.db2.gz SHDBKGVEEOMJMN-LBPRGKRZSA-N 1 2 292.364 1.364 40 0 CDABLO CNc1cccc([C@H]2CCCN(S(C)(=O)=O)C2)[nH+]1 ZINC000072381679 176387697 /nfs/dbraw/zinc/38/76/97/176387697.db2.gz OFEPGFRDHBYBIV-JTQLQIEISA-N 1 2 269.370 1.262 40 0 CDABLO NC(=O)C[N@@H+]1CCC[C@H]1c1ccnc(Nc2ccccn2)n1 ZINC000072383076 176388436 /nfs/dbraw/zinc/38/84/36/176388436.db2.gz XTUIZJJFOASCQL-LBPRGKRZSA-N 1 2 298.350 1.237 40 0 CDABLO NC(=O)C[N@H+]1CCC[C@H]1c1ccnc(Nc2ccccn2)n1 ZINC000072383076 176388437 /nfs/dbraw/zinc/38/84/37/176388437.db2.gz XTUIZJJFOASCQL-LBPRGKRZSA-N 1 2 298.350 1.237 40 0 CDABLO CCC[NH+]1CCN(C(=O)c2cc(-c3cccnc3)[nH]n2)CC1 ZINC000072397970 176395599 /nfs/dbraw/zinc/39/55/99/176395599.db2.gz ITRFFXPXAJELBY-UHFFFAOYSA-N 1 2 299.378 1.640 40 0 CDABLO Cc1c(NC(=O)[C@@H]2C[NH2+]CCO2)[nH]nc1-c1ccccc1 ZINC000257198094 280245641 /nfs/dbraw/zinc/24/56/41/280245641.db2.gz SLKFSWAWJPWLJR-LBPRGKRZSA-N 1 2 286.335 1.312 40 0 CDABLO COc1ccc(OC)c([C@H](C[NH3+])[N@@H+]2CC[C@H](C(=O)[O-])C2)c1 ZINC000035622890 295183044 /nfs/dbraw/zinc/18/30/44/295183044.db2.gz MISAPEIPIMQEJA-GWCFXTLKSA-N 1 2 294.351 1.110 40 0 CDABLO COc1ccc(OC)c([C@H](C[NH3+])[N@H+]2CC[C@H](C(=O)[O-])C2)c1 ZINC000035622890 295183045 /nfs/dbraw/zinc/18/30/45/295183045.db2.gz MISAPEIPIMQEJA-GWCFXTLKSA-N 1 2 294.351 1.110 40 0 CDABLO CCOc1ccc([C@H](CO)[NH+]2CCOCC2)cc1 ZINC000070453320 361972372 /nfs/dbraw/zinc/97/23/72/361972372.db2.gz WACIGSWRRKMKRC-AWEZNQCLSA-N 1 2 251.326 1.451 40 0 CDABLO Cn1nccc1C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130899875 136388809 /nfs/dbraw/zinc/38/88/09/136388809.db2.gz WITBDDVLMRWIDO-GFCCVEGCSA-N 1 2 285.351 1.214 40 0 CDABLO Cc1cc(N2CCC[C@@H](Cc3cc[nH]n3)C2)nc[nH+]1 ZINC000257310938 362585913 /nfs/dbraw/zinc/58/59/13/362585913.db2.gz UHGISWHLQSZMGJ-LBPRGKRZSA-N 1 2 257.341 1.967 40 0 CDABLO C[C@H]1CCC[C@H](OCC(=O)NCc2[nH+]ccn2C)C1 ZINC000079034458 363354824 /nfs/dbraw/zinc/35/48/24/363354824.db2.gz KCNPVBIVJRIWMU-RYUDHWBXSA-N 1 2 265.357 1.632 40 0 CDABLO C[C@@H]1Cc2cc(C(=O)CC[NH+]3CCOCC3)ccc2O1 ZINC000019204600 356477085 /nfs/dbraw/zinc/47/70/85/356477085.db2.gz HWBUWRPNAWRUBO-GFCCVEGCSA-N 1 2 275.348 1.915 40 0 CDABLO CC(=O)NCC[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000072369088 357831344 /nfs/dbraw/zinc/83/13/44/357831344.db2.gz BWRAKOUGLIXDFD-ZDUSSCGKSA-N 1 2 262.357 1.528 40 0 CDABLO C[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1csnn1)C2 ZINC000096221988 358722817 /nfs/dbraw/zinc/72/28/17/358722817.db2.gz MCFJECCHPWUWEG-CMPLNLGQSA-N 1 2 253.371 1.929 40 0 CDABLO C[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1csnn1)C2 ZINC000096221988 358722821 /nfs/dbraw/zinc/72/28/21/358722821.db2.gz MCFJECCHPWUWEG-CMPLNLGQSA-N 1 2 253.371 1.929 40 0 CDABLO COC(=O)C1CC[NH+](c2ccc(N)cc2OC)CC1 ZINC000216931664 358970215 /nfs/dbraw/zinc/97/02/15/358970215.db2.gz GUBQVWZWPSKDGM-UHFFFAOYSA-N 1 2 264.325 1.667 40 0 CDABLO COC(=O)[C@@H]1Cc2[nH+]cn(C)c2CN1C(=O)CC(C)(C)C ZINC000015676567 284198236 /nfs/dbraw/zinc/19/82/36/284198236.db2.gz JXBKNGKHVXVWOX-NSHDSACASA-N 1 2 293.367 1.283 40 0 biogenic,in-vitro CDABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2ccc3n[nH]nc3c2)[nH+]1 ZINC000257246029 190018962 /nfs/dbraw/zinc/01/89/62/190018962.db2.gz ISCXILLGSOBZRN-CYBMUJFWSA-N 1 2 296.334 1.967 40 0 CDABLO Cc1cc(Nc2nncs2)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000257310857 190032175 /nfs/dbraw/zinc/03/21/75/190032175.db2.gz UGYHBTBYSANIRN-SECBINFHSA-N 1 2 276.369 1.847 40 0 CDABLO c1csc(C[N@H+]2CCOC[C@@H](Cc3ccncn3)C2)n1 ZINC000257331815 190035753 /nfs/dbraw/zinc/03/57/53/190035753.db2.gz XUJPKXQSTALVDG-LBPRGKRZSA-N 1 2 290.392 1.624 40 0 CDABLO c1csc(C[N@@H+]2CCOC[C@@H](Cc3ccncn3)C2)n1 ZINC000257331815 190035754 /nfs/dbraw/zinc/03/57/54/190035754.db2.gz XUJPKXQSTALVDG-LBPRGKRZSA-N 1 2 290.392 1.624 40 0 CDABLO c1cncc(C[C@H]2C[N@H+](Cc3cccnc3)CCO2)c1 ZINC000257336984 190035992 /nfs/dbraw/zinc/03/59/92/190035992.db2.gz YQXIOLDXYLAGAH-INIZCTEOSA-N 1 2 269.348 1.920 40 0 CDABLO c1cncc(C[C@H]2C[N@@H+](Cc3cccnc3)CCO2)c1 ZINC000257336984 190035993 /nfs/dbraw/zinc/03/59/93/190035993.db2.gz YQXIOLDXYLAGAH-INIZCTEOSA-N 1 2 269.348 1.920 40 0 CDABLO Cc1c[nH]c([C@@H]2CCCN2Cc2cnc(N(C)C)nc2)[nH+]1 ZINC000257338365 190036061 /nfs/dbraw/zinc/03/60/61/190036061.db2.gz YXAYFUBUPRFFTK-ZDUSSCGKSA-N 1 2 286.383 1.911 40 0 CDABLO Cc1cc(N2CCC(c3cc(=O)[nH]c(C)n3)CC2)nc[nH+]1 ZINC000072364099 390628380 /nfs/dbraw/zinc/62/83/80/390628380.db2.gz LBSVZFAILWBBTN-UHFFFAOYSA-N 1 2 285.351 1.561 40 0 CDABLO CN(C)C(=O)N1CCN(CC2CC2)c2[nH+]cccc2C1 ZINC000096060987 390912307 /nfs/dbraw/zinc/91/23/07/390912307.db2.gz PHQYXPSSRNVICO-UHFFFAOYSA-N 1 2 274.368 1.795 40 0 CDABLO CNc1cc(C[C@@H]2CCN(c3cnccn3)C2)[nH+]cn1 ZINC000072381058 176387457 /nfs/dbraw/zinc/38/74/57/176387457.db2.gz RHBUAIGAFGCKBD-NSHDSACASA-N 1 2 270.340 1.377 40 0 CDABLO CC(C)c1ncc(C[N@H+](C)[C@@]2(C)CCS(=O)(=O)C2)cn1 ZINC000072397967 176395813 /nfs/dbraw/zinc/39/58/13/176395813.db2.gz ROMHQJUDPWRIBD-AWEZNQCLSA-N 1 2 297.424 1.609 40 0 CDABLO CC(C)c1ncc(C[N@@H+](C)[C@@]2(C)CCS(=O)(=O)C2)cn1 ZINC000072397967 176395815 /nfs/dbraw/zinc/39/58/15/176395815.db2.gz ROMHQJUDPWRIBD-AWEZNQCLSA-N 1 2 297.424 1.609 40 0 CDABLO Cc1[nH+]c2ccccc2n1-c1ccc(S(N)(=O)=O)cc1 ZINC000000033877 424596787 /nfs/dbraw/zinc/59/67/87/424596787.db2.gz HABHAYMOJHBFSM-UHFFFAOYSA-N 1 2 287.344 1.981 40 0 CDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2scnc2C)[nH+]1 ZINC000257236593 301025078 /nfs/dbraw/zinc/02/50/78/301025078.db2.gz HCWWLTMRFZDNIU-SNVBAGLBSA-N 1 2 292.364 1.697 40 0 CDABLO Cc1cc(C)nc(NC(=S)NCC[NH+]2CCOCC2)c1 ZINC000223892753 534139716 /nfs/dbraw/zinc/13/97/16/534139716.db2.gz BIEUGGGSJMUQKK-UHFFFAOYSA-N 1 2 294.424 1.317 40 0 CDABLO CNC(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)O1 ZINC000096057364 185077431 /nfs/dbraw/zinc/07/74/31/185077431.db2.gz AMKISBWEPSPZLI-MXWKQRLJSA-N 1 2 281.381 1.011 40 0 CDABLO CNC(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)O1 ZINC000096057364 185077433 /nfs/dbraw/zinc/07/74/33/185077433.db2.gz AMKISBWEPSPZLI-MXWKQRLJSA-N 1 2 281.381 1.011 40 0 CDABLO COC[C@H]1C[N@H+](Cc2ccc(F)cc2)Cc2nnn(C)c21 ZINC000096060608 185079822 /nfs/dbraw/zinc/07/98/22/185079822.db2.gz CHRHHVNNUPZVBA-GFCCVEGCSA-N 1 2 290.342 1.700 40 0 CDABLO COC[C@H]1C[N@@H+](Cc2ccc(F)cc2)Cc2nnn(C)c21 ZINC000096060608 185079824 /nfs/dbraw/zinc/07/98/24/185079824.db2.gz CHRHHVNNUPZVBA-GFCCVEGCSA-N 1 2 290.342 1.700 40 0 CDABLO COCCN1CCN(C(=O)N(C)C)Cc2ccc[nH+]c21 ZINC000096060944 185082708 /nfs/dbraw/zinc/08/27/08/185082708.db2.gz ZTEXPQUJJBRDNJ-UHFFFAOYSA-N 1 2 278.356 1.032 40 0 CDABLO O=C1NCC[C@@]12C[N@@H+](Cc1cccnc1)CC(F)(F)C2 ZINC000585093275 342210921 /nfs/dbraw/zinc/21/09/21/342210921.db2.gz NAOLEPVXHDNTIY-CYBMUJFWSA-N 1 2 281.306 1.429 40 0 CDABLO O=C1NCC[C@@]12C[N@H+](Cc1cccnc1)CC(F)(F)C2 ZINC000585093275 342210922 /nfs/dbraw/zinc/21/09/22/342210922.db2.gz NAOLEPVXHDNTIY-CYBMUJFWSA-N 1 2 281.306 1.429 40 0 CDABLO COC[C@H]1Cc2c([nH+]cn2C)CN1Cc1cc(C)on1 ZINC000585094961 342211404 /nfs/dbraw/zinc/21/14/04/342211404.db2.gz XCQXUEZDDXOHLP-GFCCVEGCSA-N 1 2 276.340 1.290 40 0 CDABLO S=C(NCC[NH+]1CCOCC1)c1ccccc1 ZINC000408573732 355999901 /nfs/dbraw/zinc/99/99/01/355999901.db2.gz KEIKUIPXNVCAGD-UHFFFAOYSA-N 1 2 250.367 1.284 40 0 CDABLO O=C(c1cccnc1)N1CCC2(CN(c3cccc[nH+]3)C2)C1 ZINC000096202724 358718964 /nfs/dbraw/zinc/71/89/64/358718964.db2.gz LIXLQXXMUVXSPA-UHFFFAOYSA-N 1 2 294.358 1.829 40 0 CDABLO CC(C)[N@@H+]1CCO[C@H]2CN(C(=O)c3ccco3)C[C@H]21 ZINC000096246444 358725587 /nfs/dbraw/zinc/72/55/87/358725587.db2.gz UZLUZRYYNLVMML-YPMHNXCESA-N 1 2 264.325 1.213 40 0 CDABLO CC(C)[N@H+]1CCO[C@H]2CN(C(=O)c3ccco3)C[C@H]21 ZINC000096246444 358725591 /nfs/dbraw/zinc/72/55/91/358725591.db2.gz UZLUZRYYNLVMML-YPMHNXCESA-N 1 2 264.325 1.213 40 0 CDABLO S=C(NCCCn1cc[nH+]c1)Nc1cccnc1 ZINC000225522423 359596863 /nfs/dbraw/zinc/59/68/63/359596863.db2.gz USKOHENAGYRMGP-UHFFFAOYSA-N 1 2 261.354 1.655 40 0 CDABLO COC(=O)CCN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000063996205 360088573 /nfs/dbraw/zinc/08/85/73/360088573.db2.gz QXFXTFUTWXACJK-UHFFFAOYSA-N 1 2 280.343 1.506 40 0 CDABLO NC(=O)C[NH+]1CC(c2nc(-c3cccc(Cl)c3)no2)C1 ZINC000075156492 367925707 /nfs/dbraw/zinc/92/57/07/367925707.db2.gz USLXSXXPJMTJPN-UHFFFAOYSA-N 1 2 292.726 1.275 40 0 CDABLO Cn1cccc1[C@@H]1COCC[N@@H+]1CC[C@@H]1CCOC1=O ZINC000131685144 375314841 /nfs/dbraw/zinc/31/48/41/375314841.db2.gz VQLQDDJUDHGJRI-OCCSQVGLSA-N 1 2 278.352 1.352 40 0 CDABLO Cn1cccc1[C@@H]1COCC[N@H+]1CC[C@@H]1CCOC1=O ZINC000131685144 375314851 /nfs/dbraw/zinc/31/48/51/375314851.db2.gz VQLQDDJUDHGJRI-OCCSQVGLSA-N 1 2 278.352 1.352 40 0 CDABLO Cc1c[nH]nc1C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000257215516 190012996 /nfs/dbraw/zinc/01/29/96/190012996.db2.gz CQNDRHDNGZUYPT-CYBMUJFWSA-N 1 2 287.367 1.396 40 0 CDABLO Cc1cn[nH]c1C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000257215516 190012997 /nfs/dbraw/zinc/01/29/97/190012997.db2.gz CQNDRHDNGZUYPT-CYBMUJFWSA-N 1 2 287.367 1.396 40 0 CDABLO CNc1ncc(C[N@@H+]2CCCC[C@@H]2c2ccnc(N)n2)cn1 ZINC000257216393 190014178 /nfs/dbraw/zinc/01/41/78/190014178.db2.gz CUJZIHJZEFBEGZ-CYBMUJFWSA-N 1 2 299.382 1.618 40 0 CDABLO CNc1ncc(C[N@H+]2CCCC[C@@H]2c2ccnc(N)n2)cn1 ZINC000257216393 190014179 /nfs/dbraw/zinc/01/41/79/190014179.db2.gz CUJZIHJZEFBEGZ-CYBMUJFWSA-N 1 2 299.382 1.618 40 0 CDABLO CC(=O)N1CCN(Cc2c[nH+]c[nH]2)C[C@@H]1c1ccccc1 ZINC000257242486 190018478 /nfs/dbraw/zinc/01/84/78/190018478.db2.gz ICTHXLFLGAOESK-MRXNPFEDSA-N 1 2 284.363 1.815 40 0 CDABLO CC(=O)N1CCN(Cc2[nH+]ccn2C)C[C@@H]1c1ccccc1 ZINC000257292814 190027585 /nfs/dbraw/zinc/02/75/85/190027585.db2.gz QNBBSSSZSPFONB-MRXNPFEDSA-N 1 2 298.390 1.826 40 0 CDABLO Cc1cncc([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)n1 ZINC000257303753 190030253 /nfs/dbraw/zinc/03/02/53/190030253.db2.gz SINWCMHHGFJQLZ-CQSZACIVSA-N 1 2 299.378 1.778 40 0 CDABLO Cc1cncc([C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)n1 ZINC000257332984 190035654 /nfs/dbraw/zinc/03/56/54/190035654.db2.gz XZNZYVJBFYGIKR-GFCCVEGCSA-N 1 2 257.341 1.888 40 0 CDABLO Cc1cncc([C@@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)n1 ZINC000257332984 190035655 /nfs/dbraw/zinc/03/56/55/190035655.db2.gz XZNZYVJBFYGIKR-GFCCVEGCSA-N 1 2 257.341 1.888 40 0 CDABLO O=S(=O)(Nc1cc[nH+]cc1)c1cncc(F)c1 ZINC000069673912 378517745 /nfs/dbraw/zinc/51/77/45/378517745.db2.gz DRXOVKNRPRRJEU-UHFFFAOYSA-N 1 2 253.258 1.417 40 0 CDABLO Cc1cc([C@@H]2CCCCN2C=O)c[nH+]c1N1CCOCC1 ZINC000072219372 390623258 /nfs/dbraw/zinc/62/32/58/390623258.db2.gz CJIGKFFPKMGSFX-HNNXBMFYSA-N 1 2 289.379 1.910 40 0 CDABLO COCC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000012114921 170469430 /nfs/dbraw/zinc/46/94/30/170469430.db2.gz PLZNAAVZPFULET-AWEZNQCLSA-N 1 2 289.335 1.281 40 0 CDABLO C(=C/[C@@H]1OC[C@H](C[NH+]2CCOCC2)O1)\c1ccccc1 ZINC000035183191 172036861 /nfs/dbraw/zinc/03/68/61/172036861.db2.gz PBBQTZURHFLBNT-BUWFCSEKSA-N 1 2 275.348 1.774 40 0 CDABLO O=C(C[N@H+]1CCC[C@@H](O)C1)c1ccc(Cl)cc1 ZINC000044029884 175138645 /nfs/dbraw/zinc/13/86/45/175138645.db2.gz RZTWHDQPIJUDMG-GFCCVEGCSA-N 1 2 253.729 1.979 40 0 CDABLO O=C(C[N@@H+]1CCC[C@@H](O)C1)c1ccc(Cl)cc1 ZINC000044029884 175138646 /nfs/dbraw/zinc/13/86/46/175138646.db2.gz RZTWHDQPIJUDMG-GFCCVEGCSA-N 1 2 253.729 1.979 40 0 CDABLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2cc(CCO)n[nH]2)cn1 ZINC000072364269 176378652 /nfs/dbraw/zinc/37/86/52/176378652.db2.gz UDVSOLIUKASHDX-CQSZACIVSA-N 1 2 275.356 1.015 40 0 CDABLO Cn1cc(C[N@H+]2CCC[C@@H]2c2cc(CCO)n[nH]2)cn1 ZINC000072364269 176378653 /nfs/dbraw/zinc/37/86/53/176378653.db2.gz UDVSOLIUKASHDX-CQSZACIVSA-N 1 2 275.356 1.015 40 0 CDABLO C[NH+](C)[C@H]1[C@H](c2ccccc2)S(=O)(=O)C1(C)C ZINC000031717085 289395837 /nfs/dbraw/zinc/39/58/37/289395837.db2.gz YSNZOYXZGPHAOW-RYUDHWBXSA-N 1 2 253.367 1.865 40 0 CDABLO [NH3+]C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000253614366 303393883 /nfs/dbraw/zinc/39/38/83/303393883.db2.gz OFYQCQTXNGVHCI-PWSUYJOCSA-N 1 2 268.744 1.746 40 0 CDABLO [NH3+]C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000253614366 303393885 /nfs/dbraw/zinc/39/38/85/303393885.db2.gz OFYQCQTXNGVHCI-PWSUYJOCSA-N 1 2 268.744 1.746 40 0 CDABLO CCC[N@H+](CC)Cc1nn(C)cc1C(=O)OCC ZINC000575441327 1159608572 /nfs/dbraw/zinc/60/85/72/1159608572.db2.gz CUJPPBZRJLPUIL-UHFFFAOYSA-N 1 2 253.346 1.829 40 0 CDABLO CCC[N@@H+](CC)Cc1nn(C)cc1C(=O)OCC ZINC000575441327 1159608575 /nfs/dbraw/zinc/60/85/75/1159608575.db2.gz CUJPPBZRJLPUIL-UHFFFAOYSA-N 1 2 253.346 1.829 40 0 CDABLO COCCn1nnnc1[C@H](C(C)C)[NH+]1CCSCC1 ZINC000020098455 482437412 /nfs/dbraw/zinc/43/74/12/482437412.db2.gz JUZIBULPXZJVHW-NSHDSACASA-N 1 2 285.417 1.065 40 0 CDABLO [NH3+][C@H](Cc1ccccc1)c1nnc([C@@H]2CCCO2)[nH]1 ZINC000095534905 185008679 /nfs/dbraw/zinc/00/86/79/185008679.db2.gz CSEGQTQTHWYHON-NEPJUHHUSA-N 1 2 258.325 1.899 40 0 CDABLO Cc1c[nH+]c2n1CCN(C)C21CCN(C(=O)N(C)C)CC1 ZINC000096037010 185069564 /nfs/dbraw/zinc/06/95/64/185069564.db2.gz MWAXSLZBGSELSV-UHFFFAOYSA-N 1 2 291.399 1.110 40 0 CDABLO CC(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1ccco1)CCO2 ZINC000096049095 185073005 /nfs/dbraw/zinc/07/30/05/185073005.db2.gz GGPRLAHWMQFYPI-HNNXBMFYSA-N 1 2 278.352 1.493 40 0 CDABLO CC(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1ccco1)CCO2 ZINC000096049095 185073006 /nfs/dbraw/zinc/07/30/06/185073006.db2.gz GGPRLAHWMQFYPI-HNNXBMFYSA-N 1 2 278.352 1.493 40 0 CDABLO Cn1c[nH+]c2c1C[C@@H](CO)N(Cc1ccc(F)c(F)c1)C2 ZINC000585094630 342211263 /nfs/dbraw/zinc/21/12/63/342211263.db2.gz GBCOMJHRCWRXKF-NSHDSACASA-N 1 2 293.317 1.618 40 0 CDABLO Cc1noc(C)c1C[N@@H+]1Cc2ccnn2CC[C@H]1CO ZINC000585096721 342211892 /nfs/dbraw/zinc/21/18/92/342211892.db2.gz BECPWETWKAZMOI-ZDUSSCGKSA-N 1 2 276.340 1.255 40 0 CDABLO Cc1noc(C)c1C[N@H+]1Cc2ccnn2CC[C@H]1CO ZINC000585096721 342211893 /nfs/dbraw/zinc/21/18/93/342211893.db2.gz BECPWETWKAZMOI-ZDUSSCGKSA-N 1 2 276.340 1.255 40 0 CDABLO CC[NH2+]CC(=O)Oc1cc(=O)oc2cc(O)ccc12 ZINC000115158517 348742003 /nfs/dbraw/zinc/74/20/03/348742003.db2.gz FHZARUSBJCDXEO-UHFFFAOYSA-N 1 2 263.249 1.014 40 0 CDABLO CCOc1cncc(CNc2ccc(CO)c[nH+]2)c1 ZINC000621355597 350562588 /nfs/dbraw/zinc/56/25/88/350562588.db2.gz RIFPTGRXFIHHCZ-UHFFFAOYSA-N 1 2 259.309 1.980 40 0 CDABLO Cc1cc2cc(OCC(=O)NCc3[nH]cc[nH+]3)ccc2n1C ZINC000019126241 356475713 /nfs/dbraw/zinc/47/57/13/356475713.db2.gz FIYCNSPVWGJGPZ-UHFFFAOYSA-N 1 2 298.346 1.905 40 0 CDABLO Cc1cc(N2CCO[C@H](c3ccncn3)C2)nc[nH+]1 ZINC000072385571 357832455 /nfs/dbraw/zinc/83/24/55/357832455.db2.gz OBRVEMRXNXHLDZ-LBPRGKRZSA-N 1 2 257.297 1.153 40 0 CDABLO O=C(C1CC[NH+]([C@H]2CCOC2=O)CC1)N1CCCCC1 ZINC000071823789 364635033 /nfs/dbraw/zinc/63/50/33/364635033.db2.gz LRMDFLVTYXUABP-ZDUSSCGKSA-N 1 2 280.368 1.026 40 0 CDABLO O=S(=O)(C1CC1)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000075154700 367924843 /nfs/dbraw/zinc/92/48/43/367924843.db2.gz KSHMKDGLSNHMFT-UHFFFAOYSA-N 1 2 269.370 1.087 40 0 CDABLO O=C(NCc1ccc(=O)[nH]c1)C1CC[NH+](CC(F)F)CC1 ZINC000330700576 203131108 /nfs/dbraw/zinc/13/11/08/203131108.db2.gz YQPQRISHYGULAF-UHFFFAOYSA-N 1 2 299.321 1.381 40 0 CDABLO Cc1csc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)CC2)n1 ZINC000331653803 204047141 /nfs/dbraw/zinc/04/71/41/204047141.db2.gz PEIVBIPRGVNXSY-LLVKDONJSA-N 1 2 288.438 1.851 40 0 CDABLO Cc1csc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)CC2)n1 ZINC000331653803 204047145 /nfs/dbraw/zinc/04/71/45/204047145.db2.gz PEIVBIPRGVNXSY-LLVKDONJSA-N 1 2 288.438 1.851 40 0 CDABLO Cc1ccc(C(=O)NC[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000055175232 373768610 /nfs/dbraw/zinc/76/86/10/373768610.db2.gz GRWGEVBUGFLZNP-UHFFFAOYSA-N 1 2 290.363 1.521 40 0 CDABLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N(CCO)Cc1ccccc1 ZINC000225508362 374580902 /nfs/dbraw/zinc/58/09/02/374580902.db2.gz HVEAUNBEEFAFLY-CQSZACIVSA-N 1 2 299.374 1.536 40 0 CDABLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N(CCO)Cc1ccccc1 ZINC000225508362 374580908 /nfs/dbraw/zinc/58/09/08/374580908.db2.gz HVEAUNBEEFAFLY-CQSZACIVSA-N 1 2 299.374 1.536 40 0 CDABLO CCn1nccc1C[NH2+]Cc1ccn(CCF)n1 ZINC000256050172 190002974 /nfs/dbraw/zinc/00/29/74/190002974.db2.gz DAJBXMMHTJHZMI-UHFFFAOYSA-N 1 2 251.309 1.359 40 0 CDABLO CCn1ccc(C[NH2+]Cc2ccnn2CC(F)(F)F)n1 ZINC000256052415 190004386 /nfs/dbraw/zinc/00/43/86/190004386.db2.gz NEGQECNCFSNPTP-UHFFFAOYSA-N 1 2 287.289 1.952 40 0 CDABLO Cc1cc(C[NH+]2CCC3(CC2)OCCC[C@H]3O)no1 ZINC000257206902 190011909 /nfs/dbraw/zinc/01/19/09/190011909.db2.gz BFJSQBRLGOHPPN-CYBMUJFWSA-N 1 2 266.341 1.489 40 0 CDABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3cn(C)nc3C)C2)[nH+]1 ZINC000257239844 190017904 /nfs/dbraw/zinc/01/79/04/190017904.db2.gz HRBFBNWQJKPZGL-LLVKDONJSA-N 1 2 273.340 1.390 40 0 CDABLO CC1(c2nccs2)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000257342466 190037015 /nfs/dbraw/zinc/03/70/15/190037015.db2.gz ZOTBBYLQRABHCL-UHFFFAOYSA-N 1 2 290.392 1.920 40 0 CDABLO CCO[C@@H]1CCOC2(CN(c3cc(N(C)C)[nH+]cn3)C2)C1 ZINC000248108997 391426811 /nfs/dbraw/zinc/42/68/11/391426811.db2.gz JSHJLFVMWQBPNL-GFCCVEGCSA-N 1 2 292.383 1.317 40 0 CDABLO CCO[C@@H]1CCOC2(CN(c3cc(N(C)C)nc[nH+]3)C2)C1 ZINC000248108997 391426812 /nfs/dbraw/zinc/42/68/12/391426812.db2.gz JSHJLFVMWQBPNL-GFCCVEGCSA-N 1 2 292.383 1.317 40 0 CDABLO S=C(NCCCn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000006449080 170201952 /nfs/dbraw/zinc/20/19/52/170201952.db2.gz GZPLMIPKLHDXLY-YNEHKIRRSA-N 1 2 278.425 1.926 40 0 CDABLO CN(C)c1nccc([C@@H]2CCCCN2Cc2[nH]cc[nH+]2)n1 ZINC000072386062 176391270 /nfs/dbraw/zinc/39/12/70/176391270.db2.gz CEOXCTHQFIGYAI-ZDUSSCGKSA-N 1 2 286.383 1.993 40 0 CDABLO CN(C)c1cc(N2CCC[C@H]2c2cc[nH]n2)nc[nH+]1 ZINC000072388674 176393503 /nfs/dbraw/zinc/39/35/03/176393503.db2.gz SEUAPQZVZFFVKS-NSHDSACASA-N 1 2 258.329 1.607 40 0 CDABLO CN(C)c1cc(N2CCC[C@H]2c2cc[nH]n2)[nH+]cn1 ZINC000072388674 176393504 /nfs/dbraw/zinc/39/35/04/176393504.db2.gz SEUAPQZVZFFVKS-NSHDSACASA-N 1 2 258.329 1.607 40 0 CDABLO C[C@@H]1c2[nH+]c(N)nc(N)c2CN1C(=O)c1ccccc1 ZINC000004877476 289099518 /nfs/dbraw/zinc/09/95/18/289099518.db2.gz ICUGPYSFBUOHOU-MRVPVSSYSA-N 1 2 269.308 1.358 40 0 CDABLO Cn1ccc(C[N@@H+]2CC[C@@]23CCN(c2ncccn2)C3)n1 ZINC000096076101 294342712 /nfs/dbraw/zinc/34/27/12/294342712.db2.gz OMDHZJWHNJTYNX-OAHLLOKOSA-N 1 2 284.367 1.065 40 0 CDABLO Cn1ccc(C[N@H+]2CC[C@@]23CCN(c2ncccn2)C3)n1 ZINC000096076101 294342715 /nfs/dbraw/zinc/34/27/15/294342715.db2.gz OMDHZJWHNJTYNX-OAHLLOKOSA-N 1 2 284.367 1.065 40 0 CDABLO COc1ccccc1[C@H]1Cn2cc[nH+]c2CN1CCO ZINC000257254047 295415030 /nfs/dbraw/zinc/41/50/30/295415030.db2.gz KBIPVUZEZDKHHH-CYBMUJFWSA-N 1 2 273.336 1.441 40 0 CDABLO C[C@H]1C[NH+]=C(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)S1 ZINC000015083153 300320249 /nfs/dbraw/zinc/32/02/49/300320249.db2.gz UQITVYXHQXOXLF-TUAOUCFPSA-N 1 2 289.404 1.759 40 0 CDABLO COCCn1nnnc1[C@@H](C(C)C)[NH+]1CCSCC1 ZINC000020098453 482437511 /nfs/dbraw/zinc/43/75/11/482437511.db2.gz JUZIBULPXZJVHW-LLVKDONJSA-N 1 2 285.417 1.065 40 0 CDABLO CCOc1cc(-c2n[nH]c([C@@H](C)[NH3+])n2)ccc1OC ZINC000095534686 185006029 /nfs/dbraw/zinc/00/60/29/185006029.db2.gz WUQFQVZVXSOQKV-MRVPVSSYSA-N 1 2 262.313 1.899 40 0 CDABLO O=C1CCC[C@]2(CCC[N@H+](Cc3nccs3)C2)N1 ZINC000096049937 185075009 /nfs/dbraw/zinc/07/50/09/185075009.db2.gz HZTJGHUZVVGXDM-CYBMUJFWSA-N 1 2 265.382 1.778 40 0 CDABLO O=C1CCC[C@]2(CCC[N@@H+](Cc3nccs3)C2)N1 ZINC000096049937 185075010 /nfs/dbraw/zinc/07/50/10/185075010.db2.gz HZTJGHUZVVGXDM-CYBMUJFWSA-N 1 2 265.382 1.778 40 0 CDABLO OCCOCc1ncn2c1C[N@H+](Cc1ccoc1)CCC2 ZINC000096059003 185079419 /nfs/dbraw/zinc/07/94/19/185079419.db2.gz XKNNOYXDWCBPAT-UHFFFAOYSA-N 1 2 291.351 1.391 40 0 CDABLO OCCOCc1ncn2c1C[N@@H+](Cc1ccoc1)CCC2 ZINC000096059003 185079420 /nfs/dbraw/zinc/07/94/20/185079420.db2.gz XKNNOYXDWCBPAT-UHFFFAOYSA-N 1 2 291.351 1.391 40 0 CDABLO COC[C@H]1C[N@H+](Cc2ccco2)Cc2nn(C)cc21 ZINC000096060346 185080547 /nfs/dbraw/zinc/08/05/47/185080547.db2.gz YHISCSJAFCETSX-LLVKDONJSA-N 1 2 261.325 1.759 40 0 CDABLO COC[C@H]1C[N@@H+](Cc2ccco2)Cc2nn(C)cc21 ZINC000096060346 185080548 /nfs/dbraw/zinc/08/05/48/185080548.db2.gz YHISCSJAFCETSX-LLVKDONJSA-N 1 2 261.325 1.759 40 0 CDABLO c1cnn(Cc2c[nH+]c3n2CCN(Cc2ccccn2)C3)c1 ZINC000096061809 185082460 /nfs/dbraw/zinc/08/24/60/185082460.db2.gz NZODYGGEUPPMHV-UHFFFAOYSA-N 1 2 294.362 1.539 40 0 CDABLO COC[C@H]1CN(Cc2scnc2C)Cc2c[nH+]cn21 ZINC000248034104 362146923 /nfs/dbraw/zinc/14/69/23/362146923.db2.gz MTYXUPFHLGDSLC-GFCCVEGCSA-N 1 2 278.381 1.851 40 0 CDABLO CSc1c2c(cc3c1[C@H](O)[N@H+](C)CC3)OCO2 ZINC000261829916 362774252 /nfs/dbraw/zinc/77/42/52/362774252.db2.gz ZBBMEVCSRBMGTB-LBPRGKRZSA-N 1 2 253.323 1.616 40 0 CDABLO CSc1c2c(cc3c1[C@H](O)[N@@H+](C)CC3)OCO2 ZINC000261829916 362774253 /nfs/dbraw/zinc/77/42/53/362774253.db2.gz ZBBMEVCSRBMGTB-LBPRGKRZSA-N 1 2 253.323 1.616 40 0 CDABLO COCCc1nc(Nc2ccccc2OC)cc(N)[nH+]1 ZINC000049467766 357216412 /nfs/dbraw/zinc/21/64/12/357216412.db2.gz DELDPCHHQYRMHS-UHFFFAOYSA-N 1 2 274.324 2.000 40 0 CDABLO Cc1nc(N2CCC[C@@H](CN3CCCC3=O)C2)cc[nH+]1 ZINC000072369052 357830751 /nfs/dbraw/zinc/83/07/51/357830751.db2.gz ZHVIHOQEDMBUSV-CYBMUJFWSA-N 1 2 274.368 1.624 40 0 CDABLO Cc1cc(C)nc(N2CCN(c3cc(C)[nH+]cn3)CC2)n1 ZINC000072368984 357830764 /nfs/dbraw/zinc/83/07/64/357830764.db2.gz OCHNJNYOOWCOFW-UHFFFAOYSA-N 1 2 284.367 1.518 40 0 CDABLO C[N@H+]1Cc2cccc(I)c2[C@@H](O)C1 ZINC000096171902 358713084 /nfs/dbraw/zinc/71/30/84/358713084.db2.gz BXMJYXBROALGEP-VIFPVBQESA-N 1 2 289.116 1.770 40 0 CDABLO C[N@@H+]1Cc2cccc(I)c2[C@@H](O)C1 ZINC000096171902 358713087 /nfs/dbraw/zinc/71/30/87/358713087.db2.gz BXMJYXBROALGEP-VIFPVBQESA-N 1 2 289.116 1.770 40 0 CDABLO Cc1ccc(C[N@@H+]2CCc3n[nH]c(C(=O)N(C)C)c3C2)o1 ZINC000096187378 358714961 /nfs/dbraw/zinc/71/49/61/358714961.db2.gz FCKXHMQHULNNNI-UHFFFAOYSA-N 1 2 288.351 1.571 40 0 CDABLO Cc1ccc(C[N@H+]2CCc3n[nH]c(C(=O)N(C)C)c3C2)o1 ZINC000096187378 358714963 /nfs/dbraw/zinc/71/49/63/358714963.db2.gz FCKXHMQHULNNNI-UHFFFAOYSA-N 1 2 288.351 1.571 40 0 CDABLO COC[C@H]1c2c(cnn2C)CC[N@H+]1Cc1ccoc1 ZINC000096197702 358716326 /nfs/dbraw/zinc/71/63/26/358716326.db2.gz OXJGCQCDVVYRMA-ZDUSSCGKSA-N 1 2 261.325 1.759 40 0 CDABLO COC[C@H]1c2c(cnn2C)CC[N@@H+]1Cc1ccoc1 ZINC000096197702 358716327 /nfs/dbraw/zinc/71/63/27/358716327.db2.gz OXJGCQCDVVYRMA-ZDUSSCGKSA-N 1 2 261.325 1.759 40 0 CDABLO COC[C@@H]1Cn2c[nH+]cc2CN(C(=O)c2cc(C)no2)C1 ZINC000096207181 358720250 /nfs/dbraw/zinc/72/02/50/358720250.db2.gz LAIJNEJGWNYEEN-NSHDSACASA-N 1 2 290.323 1.098 40 0 CDABLO c1[nH+]cn2c1CN(c1ncccn1)C[C@H](COCC1CC1)C2 ZINC000096216703 358721344 /nfs/dbraw/zinc/72/13/44/358721344.db2.gz DBMVIKIXNUSQLM-AWEZNQCLSA-N 1 2 299.378 1.736 40 0 CDABLO Cc1nc(C[N@H+]2CC[C@@H]3[C@@H]2CC(=O)N3C)cs1 ZINC000096246012 358725522 /nfs/dbraw/zinc/72/55/22/358725522.db2.gz MVFCLHUYVCCOFD-MNOVXSKESA-N 1 2 251.355 1.257 40 0 CDABLO Cc1nc(C[N@@H+]2CC[C@@H]3[C@@H]2CC(=O)N3C)cs1 ZINC000096246012 358725525 /nfs/dbraw/zinc/72/55/25/358725525.db2.gz MVFCLHUYVCCOFD-MNOVXSKESA-N 1 2 251.355 1.257 40 0 CDABLO CNC(=O)[C@H]1C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@H]1O2 ZINC000096252774 358727490 /nfs/dbraw/zinc/72/74/90/358727490.db2.gz AATLBMGIJQPLEG-HZSPNIEDSA-N 1 2 294.782 1.675 40 0 CDABLO CNC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]1O2 ZINC000096252774 358727494 /nfs/dbraw/zinc/72/74/94/358727494.db2.gz AATLBMGIJQPLEG-HZSPNIEDSA-N 1 2 294.782 1.675 40 0 CDABLO CCOC(=O)c1cn(C)nc1C[N@@H+]1CCCC[C@@H]1C ZINC000575441585 365004691 /nfs/dbraw/zinc/00/46/91/365004691.db2.gz YJKUNATZUDHLQM-NSHDSACASA-N 1 2 265.357 1.971 40 0 CDABLO CCOC(=O)c1cn(C)nc1C[N@H+]1CCCC[C@@H]1C ZINC000575441585 365004697 /nfs/dbraw/zinc/00/46/97/365004697.db2.gz YJKUNATZUDHLQM-NSHDSACASA-N 1 2 265.357 1.971 40 0 CDABLO Cn1c[nH+]cc1C[C@H]1COC(=O)[C@H]1[C@H](O)c1ccccc1 ZINC000004339269 374307578 /nfs/dbraw/zinc/30/75/78/374307578.db2.gz DZOVBAVEJYPSLL-NWANDNLSSA-N 1 2 286.331 1.485 40 0 CDABLO CCn1ncc(C)c1C[NH2+]Cc1ccn(CC(F)F)n1 ZINC000256049837 190003295 /nfs/dbraw/zinc/00/32/95/190003295.db2.gz BREDYKXTLIGTCE-UHFFFAOYSA-N 1 2 283.326 1.963 40 0 CDABLO Cc1ncsc1C[N@@H+]1CCO[C@@](C)(C(=O)N(C)C)C1 ZINC000257211661 190012127 /nfs/dbraw/zinc/01/21/27/190012127.db2.gz BZUASKHIQOMGLY-CYBMUJFWSA-N 1 2 283.397 1.131 40 0 CDABLO Cc1ncsc1C[N@H+]1CCO[C@@](C)(C(=O)N(C)C)C1 ZINC000257211661 190012128 /nfs/dbraw/zinc/01/21/28/190012128.db2.gz BZUASKHIQOMGLY-CYBMUJFWSA-N 1 2 283.397 1.131 40 0 CDABLO Cc1c[nH]nc1[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000257314782 190033097 /nfs/dbraw/zinc/03/30/97/190033097.db2.gz UYKNABHCFKATSY-ZDUSSCGKSA-N 1 2 287.367 1.711 40 0 CDABLO Cc1cn[nH]c1[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000257314782 190033098 /nfs/dbraw/zinc/03/30/98/190033098.db2.gz UYKNABHCFKATSY-ZDUSSCGKSA-N 1 2 287.367 1.711 40 0 CDABLO CC(=O)N1CCC[C@H]1c1c[nH+]c(N2CCOCC2)c(C)c1 ZINC000072219333 256707651 /nfs/dbraw/zinc/70/76/51/256707651.db2.gz UISXEJWFLFFYEC-HNNXBMFYSA-N 1 2 289.379 1.910 40 0 CDABLO CC(=O)N1CC[N@H+](C)[C@H](c2cccc(C(=O)N(C)C)c2)C1 ZINC000072366532 390628269 /nfs/dbraw/zinc/62/82/69/390628269.db2.gz SVEPSGVHMAOHIX-HNNXBMFYSA-N 1 2 289.379 1.223 40 0 CDABLO CC(=O)N1CC[N@@H+](C)[C@H](c2cccc(C(=O)N(C)C)c2)C1 ZINC000072366532 390628273 /nfs/dbraw/zinc/62/82/73/390628273.db2.gz SVEPSGVHMAOHIX-HNNXBMFYSA-N 1 2 289.379 1.223 40 0 CDABLO Fc1ccc2c(c1)C[N@@H+](CCn1cccn1)CCO2 ZINC000335783297 151015990 /nfs/dbraw/zinc/01/59/90/151015990.db2.gz PFAUYJKBGRIFOP-UHFFFAOYSA-N 1 2 261.300 1.917 40 0 CDABLO Fc1ccc2c(c1)C[N@H+](CCn1cccn1)CCO2 ZINC000335783297 151015992 /nfs/dbraw/zinc/01/59/92/151015992.db2.gz PFAUYJKBGRIFOP-UHFFFAOYSA-N 1 2 261.300 1.917 40 0 CDABLO C[N@H+]1[C@@H]2CC(=O)C[C@H]1[C@H]1OC(c3ccccc3)O[C@H]21 ZINC000008665489 170344666 /nfs/dbraw/zinc/34/46/66/170344666.db2.gz SZAVMMHZUZXKAY-PFNKYVCDSA-N 1 2 259.305 1.515 40 0 CDABLO C[N@@H+]1[C@@H]2CC(=O)C[C@H]1[C@H]1OC(c3ccccc3)O[C@H]21 ZINC000008665489 170344667 /nfs/dbraw/zinc/34/46/67/170344667.db2.gz SZAVMMHZUZXKAY-PFNKYVCDSA-N 1 2 259.305 1.515 40 0 CDABLO CC[NH+]1CCN(C(=O)c2cn(C)c3ccccc3c2=O)CC1 ZINC000022234229 171380279 /nfs/dbraw/zinc/38/02/79/171380279.db2.gz UDIWISZCQDJVKN-UHFFFAOYSA-N 1 2 299.374 1.316 40 0 CDABLO C(=C/[C@H]1OC[C@@H](C[NH+]2CCOCC2)O1)\c1ccccc1 ZINC000035183194 172036547 /nfs/dbraw/zinc/03/65/47/172036547.db2.gz PBBQTZURHFLBNT-ZWOPJXCPSA-N 1 2 275.348 1.774 40 0 CDABLO Cn1ccnc1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000072345707 176373291 /nfs/dbraw/zinc/37/32/91/176373291.db2.gz ZMRIIPCYHWZVTF-UHFFFAOYSA-N 1 2 273.340 1.254 40 0 CDABLO CC(=O)N1CCCC[C@H]1CCc1cc(-n2cc[nH+]c2)ncn1 ZINC000072364818 176380042 /nfs/dbraw/zinc/38/00/42/176380042.db2.gz IZDKAVZKSUGUBE-HNNXBMFYSA-N 1 2 299.378 1.996 40 0 CDABLO c1cc([C@H]2CCC[N@H+]2Cc2cnn3cccnc23)n[nH]1 ZINC000072366820 176381653 /nfs/dbraw/zinc/38/16/53/176381653.db2.gz HLGFBZCWPVBDOX-CYBMUJFWSA-N 1 2 268.324 1.790 40 0 CDABLO c1cc([C@H]2CCC[N@@H+]2Cc2cnn3cccnc23)n[nH]1 ZINC000072366820 176381655 /nfs/dbraw/zinc/38/16/55/176381655.db2.gz HLGFBZCWPVBDOX-CYBMUJFWSA-N 1 2 268.324 1.790 40 0 CDABLO CCCNC(=O)C1([NH2+]Cc2csnn2)CCCCC1 ZINC000154535863 323211852 /nfs/dbraw/zinc/21/18/52/323211852.db2.gz DDQJERBGVBQCLE-UHFFFAOYSA-N 1 2 282.413 1.857 40 0 CDABLO Cc1cccc(C)c1OCC(=O)NCC[NH+]1CCOCC1 ZINC000023510951 524306434 /nfs/dbraw/zinc/30/64/34/524306434.db2.gz KGGJAHVYQQYMMT-UHFFFAOYSA-N 1 2 292.379 1.131 40 0 CDABLO CC(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1ccoc1)CCO2 ZINC000096049099 185073658 /nfs/dbraw/zinc/07/36/58/185073658.db2.gz LMQQXODHUNVEDO-HNNXBMFYSA-N 1 2 278.352 1.493 40 0 CDABLO CC(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1ccoc1)CCO2 ZINC000096049099 185073659 /nfs/dbraw/zinc/07/36/59/185073659.db2.gz LMQQXODHUNVEDO-HNNXBMFYSA-N 1 2 278.352 1.493 40 0 CDABLO O=C1CO[C@@H]2C[N@H+](Cc3ccco3)C[C@H]2N1CC1CC1 ZINC000096054252 185076645 /nfs/dbraw/zinc/07/66/45/185076645.db2.gz YKBNYOUDBSVBCE-ZIAGYGMSSA-N 1 2 276.336 1.101 40 0 CDABLO O=C1CO[C@@H]2C[N@@H+](Cc3ccco3)C[C@H]2N1CC1CC1 ZINC000096054252 185076647 /nfs/dbraw/zinc/07/66/47/185076647.db2.gz YKBNYOUDBSVBCE-ZIAGYGMSSA-N 1 2 276.336 1.101 40 0 CDABLO Cn1cnc2c1C[C@H](COCc1ccncc1)[N@H+](C)C2 ZINC000585094927 342211326 /nfs/dbraw/zinc/21/13/26/342211326.db2.gz USCZFIOCBSUWSD-CYBMUJFWSA-N 1 2 272.352 1.388 40 0 CDABLO Cn1cnc2c1C[C@H](COCc1ccncc1)[N@@H+](C)C2 ZINC000585094927 342211327 /nfs/dbraw/zinc/21/13/27/342211327.db2.gz USCZFIOCBSUWSD-CYBMUJFWSA-N 1 2 272.352 1.388 40 0 CDABLO Cn1c[nH+]c2c1C[C@H](COCc1ccncc1)N(C)C2 ZINC000585094927 342211328 /nfs/dbraw/zinc/21/13/28/342211328.db2.gz USCZFIOCBSUWSD-CYBMUJFWSA-N 1 2 272.352 1.388 40 0 CDABLO CS(=O)(=O)N1CCC[C@@H]1c1cccc2[nH+]ccn21 ZINC000585178910 342232388 /nfs/dbraw/zinc/23/23/88/342232388.db2.gz NGMWWGBFULUHQB-LLVKDONJSA-N 1 2 265.338 1.431 40 0 CDABLO Cc1nc(N2CC[C@](O)(COc3ccccc3)C2)cc[nH+]1 ZINC000585273310 342255869 /nfs/dbraw/zinc/25/58/69/342255869.db2.gz BTDDGWWZFWXKPQ-MRXNPFEDSA-N 1 2 285.347 1.805 40 0 CDABLO COCCC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130907277 136389034 /nfs/dbraw/zinc/38/90/34/136389034.db2.gz UOBAWLPONTWFML-GFCCVEGCSA-N 1 2 263.341 1.203 40 0 CDABLO CN(C)c1[nH+]cccc1N(C)S(=O)(=O)c1cccnc1 ZINC000080279941 282327803 /nfs/dbraw/zinc/32/78/03/282327803.db2.gz BBEUWGZFKTUEHD-UHFFFAOYSA-N 1 2 292.364 1.368 40 0 CDABLO c1cc([C@H]2COCC[N@H+]2CC2CCOCC2)n[nH]1 ZINC000257274203 362582877 /nfs/dbraw/zinc/58/28/77/362582877.db2.gz NJZHCYGBZSJLLF-CYBMUJFWSA-N 1 2 251.330 1.210 40 0 CDABLO c1cc([C@H]2COCC[N@@H+]2CC2CCOCC2)n[nH]1 ZINC000257274203 362582879 /nfs/dbraw/zinc/58/28/79/362582879.db2.gz NJZHCYGBZSJLLF-CYBMUJFWSA-N 1 2 251.330 1.210 40 0 CDABLO COCCC(=O)N1CC[C@H](c2[nH+]c(C)cn2C)C1 ZINC000205705180 348744018 /nfs/dbraw/zinc/74/40/18/348744018.db2.gz SIEHTLSLSZLHLL-NSHDSACASA-N 1 2 251.330 1.081 40 0 CDABLO O=C(CN1c2ccccc2C2=[NH+]CCN2C1=O)N1CCCC1 ZINC000012182971 356290919 /nfs/dbraw/zinc/29/09/19/356290919.db2.gz QGVZDUPRKIZLAU-UHFFFAOYSA-N 1 2 298.346 1.311 40 0 CDABLO Cn1cc[nH+]c1CNC(=O)c1nc2cc(F)ccc2[nH]1 ZINC000019291514 356480097 /nfs/dbraw/zinc/48/00/97/356480097.db2.gz SLJBEGNJZUGZBW-UHFFFAOYSA-N 1 2 273.271 1.366 40 0 CDABLO CC(=O)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019413421 356484763 /nfs/dbraw/zinc/48/47/63/356484763.db2.gz SXPZCCQSUXFRSN-UHFFFAOYSA-N 1 2 260.337 1.310 40 0 CDABLO Cc1nc2cc(C(=O)NCc3[nH+]ccn3C)ccc2n1C ZINC000019286544 356479379 /nfs/dbraw/zinc/47/93/79/356479379.db2.gz SFCVOOWNZDCTNG-UHFFFAOYSA-N 1 2 283.335 1.545 40 0 CDABLO O=c1[nH]c(C[NH+]2CCCCC2)nn1-c1ccccc1 ZINC000031667020 356767551 /nfs/dbraw/zinc/76/75/51/356767551.db2.gz IOLRBFCWEPYARK-UHFFFAOYSA-N 1 2 258.325 1.959 40 0 CDABLO c1coc(CN2Cc3[nH+]ccn3C[C@@H](Cn3cncn3)C2)c1 ZINC000096188607 358715015 /nfs/dbraw/zinc/71/50/15/358715015.db2.gz OEOIEDQFYLQNNM-ZDUSSCGKSA-N 1 2 298.350 1.400 40 0 CDABLO c1coc(C[N@H+]2Cc3nccn3C[C@@H](Cn3cncn3)C2)c1 ZINC000096188607 358715017 /nfs/dbraw/zinc/71/50/17/358715017.db2.gz OEOIEDQFYLQNNM-ZDUSSCGKSA-N 1 2 298.350 1.400 40 0 CDABLO c1coc(C[N@@H+]2Cc3nccn3C[C@@H](Cn3cncn3)C2)c1 ZINC000096188607 358715019 /nfs/dbraw/zinc/71/50/19/358715019.db2.gz OEOIEDQFYLQNNM-ZDUSSCGKSA-N 1 2 298.350 1.400 40 0 CDABLO CC[NH+](CC)c1ccc(-n2cnnc2)cc1C(N)=O ZINC000226279741 360445197 /nfs/dbraw/zinc/44/51/97/360445197.db2.gz URLPYGBETXKPGT-UHFFFAOYSA-N 1 2 259.313 1.212 40 0 CDABLO Cc1csc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)CC2)n1 ZINC000331653871 204046936 /nfs/dbraw/zinc/04/69/36/204046936.db2.gz PEIVBIPRGVNXSY-NSHDSACASA-N 1 2 288.438 1.851 40 0 CDABLO Cc1csc(C[N@H+]2CCC[C@H](S(C)(=O)=O)CC2)n1 ZINC000331653871 204046938 /nfs/dbraw/zinc/04/69/38/204046938.db2.gz PEIVBIPRGVNXSY-NSHDSACASA-N 1 2 288.438 1.851 40 0 CDABLO O=C(NCCOc1ccccc1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000225511673 374626010 /nfs/dbraw/zinc/62/60/10/374626010.db2.gz BPHWTNSSJJDGBP-GFCCVEGCSA-N 1 2 285.347 1.710 40 0 CDABLO O=C(NCCOc1ccccc1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000225511673 374626024 /nfs/dbraw/zinc/62/60/24/374626024.db2.gz BPHWTNSSJJDGBP-GFCCVEGCSA-N 1 2 285.347 1.710 40 0 CDABLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1cccnc1)C2 ZINC000225517976 374647601 /nfs/dbraw/zinc/64/76/01/374647601.db2.gz CJDMZUWCMSVMMK-JTQLQIEISA-N 1 2 256.309 1.857 40 0 CDABLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1cccnc1)CC2 ZINC000225517976 374647604 /nfs/dbraw/zinc/64/76/04/374647604.db2.gz CJDMZUWCMSVMMK-JTQLQIEISA-N 1 2 256.309 1.857 40 0 CDABLO c1cc2n(n1)[C@@H](COc1ncccn1)C[N@@H+](C1CCC1)C2 ZINC000306138472 374969591 /nfs/dbraw/zinc/96/95/91/374969591.db2.gz RYKMQEIBBPXNJT-CQSZACIVSA-N 1 2 285.351 1.661 40 0 CDABLO c1cc2n(n1)[C@@H](COc1ncccn1)C[N@H+](C1CCC1)C2 ZINC000306138472 374969601 /nfs/dbraw/zinc/96/96/01/374969601.db2.gz RYKMQEIBBPXNJT-CQSZACIVSA-N 1 2 285.351 1.661 40 0 CDABLO CC[C@@H](C(=O)Nc1cc(C)on1)[NH+]1CCC(O)CC1 ZINC000053398713 375216072 /nfs/dbraw/zinc/21/60/72/375216072.db2.gz TUXHMBFAOLKMDU-NSHDSACASA-N 1 2 267.329 1.157 40 0 CDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)Cc2ccsc2)[nH+]1 ZINC000257226768 190015517 /nfs/dbraw/zinc/01/55/17/190015517.db2.gz FMAXZSAWOZKSFZ-GFCCVEGCSA-N 1 2 291.376 1.922 40 0 CDABLO Cc1[nH+]c2ccccn2c1CC(=O)Nc1ccnn1C ZINC000257260543 190022436 /nfs/dbraw/zinc/02/24/36/190022436.db2.gz LDHZGJAQUYXSIC-UHFFFAOYSA-N 1 2 269.308 1.557 40 0 CDABLO CCn1nc(C(=O)N2CC[C@H](c3[nH]cc(C)[nH+]3)C2)cc1C ZINC000257291596 190028004 /nfs/dbraw/zinc/02/80/04/190028004.db2.gz QHSYFHRYGSYKQN-LBPRGKRZSA-N 1 2 287.367 1.873 40 0 CDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cccn2C)[nH+]1 ZINC000257336517 190036277 /nfs/dbraw/zinc/03/62/77/190036277.db2.gz YOUYBODSBXEALN-LBPRGKRZSA-N 1 2 274.324 1.270 40 0 CDABLO Cc1cc([C@@H]2CN(Cc3[nH+]ccn3C)CCO2)nc(C)n1 ZINC000257335972 190036630 /nfs/dbraw/zinc/03/66/30/190036630.db2.gz YMPYSMNPBJJDCM-AWEZNQCLSA-N 1 2 287.367 1.400 40 0 CDABLO Cc1cc(N(C)C)nc([C@@H]2CCN(c3cnccn3)C2)[nH+]1 ZINC000072356738 176376421 /nfs/dbraw/zinc/37/64/21/176376421.db2.gz QAVLNVJLPGNNQE-GFCCVEGCSA-N 1 2 284.367 1.635 40 0 CDABLO CC(=O)N1CCC(c2nc(C)cc(-n3cc[nH+]c3)n2)CC1 ZINC000072360657 176376855 /nfs/dbraw/zinc/37/68/55/176376855.db2.gz KZDKHUMDJUFOCC-UHFFFAOYSA-N 1 2 285.351 1.697 40 0 CDABLO COCc1nc(C2CCN(Cc3[nH]cc[nH+]3)CC2)no1 ZINC000072364418 176379462 /nfs/dbraw/zinc/37/94/62/176379462.db2.gz NAPUCUYDGUTKNB-UHFFFAOYSA-N 1 2 277.328 1.319 40 0 CDABLO COCc1nc(C2CC[NH+](Cc3ncc[nH]3)CC2)no1 ZINC000072364418 176379464 /nfs/dbraw/zinc/37/94/64/176379464.db2.gz NAPUCUYDGUTKNB-UHFFFAOYSA-N 1 2 277.328 1.319 40 0 CDABLO CC(=O)N1CCC[C@@H](c2cnc(-n3cc[nH+]c3)cn2)C1 ZINC000072386564 176392014 /nfs/dbraw/zinc/39/20/14/176392014.db2.gz ZWFTYMBLZONVCN-GFCCVEGCSA-N 1 2 271.324 1.388 40 0 CDABLO CC(C)NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000049413038 424396446 /nfs/dbraw/zinc/39/64/46/424396446.db2.gz XVMDVRNHANYGKI-UHFFFAOYSA-N 1 2 267.398 1.984 40 0 CDABLO CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1cccnc1 ZINC000096041440 185070989 /nfs/dbraw/zinc/07/09/89/185070989.db2.gz QGEJNKOEZGRIDN-RRFJBIMHSA-N 1 2 262.353 1.850 40 0 CDABLO CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1cccnc1 ZINC000096041440 185070991 /nfs/dbraw/zinc/07/09/91/185070991.db2.gz QGEJNKOEZGRIDN-RRFJBIMHSA-N 1 2 262.353 1.850 40 0 CDABLO Cn1nc(Cn2cc[nH+]c2)c2c1CN(C(=O)c1ccc[nH]1)C2 ZINC000096084501 185092070 /nfs/dbraw/zinc/09/20/70/185092070.db2.gz DPKLCBJEEPVFGY-UHFFFAOYSA-N 1 2 296.334 1.149 40 0 CDABLO COc1nn(C)c2c1CCC[N@H+](Cc1ccccn1)C2 ZINC000096094509 185096407 /nfs/dbraw/zinc/09/64/07/185096407.db2.gz XIQILQJWZDNNMJ-UHFFFAOYSA-N 1 2 272.352 1.772 40 0 CDABLO COc1nn(C)c2c1CCC[N@@H+](Cc1ccccn1)C2 ZINC000096094509 185096408 /nfs/dbraw/zinc/09/64/08/185096408.db2.gz XIQILQJWZDNNMJ-UHFFFAOYSA-N 1 2 272.352 1.772 40 0 CDABLO Cc1ccc(C[N@H+]2C[C@H]3C[C@H](C(=O)NC(C)C)[C@@H](C2)O3)o1 ZINC000096110781 185101671 /nfs/dbraw/zinc/10/16/71/185101671.db2.gz PVTCYFYVHZKHPO-QLFBSQMISA-N 1 2 292.379 1.702 40 0 CDABLO Cc1ccc(C[N@@H+]2C[C@H]3C[C@H](C(=O)NC(C)C)[C@@H](C2)O3)o1 ZINC000096110781 185101672 /nfs/dbraw/zinc/10/16/72/185101672.db2.gz PVTCYFYVHZKHPO-QLFBSQMISA-N 1 2 292.379 1.702 40 0 CDABLO OC[C@@H]1CCn2nccc2C[N@@H+]1Cc1cccnc1 ZINC000585098070 342211495 /nfs/dbraw/zinc/21/14/95/342211495.db2.gz TUWYOHMDFDYDSV-AWEZNQCLSA-N 1 2 258.325 1.045 40 0 CDABLO OC[C@@H]1CCn2nccc2C[N@H+]1Cc1cccnc1 ZINC000585098070 342211496 /nfs/dbraw/zinc/21/14/96/342211496.db2.gz TUWYOHMDFDYDSV-AWEZNQCLSA-N 1 2 258.325 1.045 40 0 CDABLO Cn1c[nH+]c2c1C[C@@H](CO)N(C(=O)CC1=CCCCC1)C2 ZINC000585094844 342211387 /nfs/dbraw/zinc/21/13/87/342211387.db2.gz PNRXSQVNYOSDLR-ZDUSSCGKSA-N 1 2 289.379 1.556 40 0 CDABLO CO[C@@H]1CCN(C(=O)c2nc3c(o2)CC[N@@H+](C(C)C)C3)C1 ZINC000585112122 342213453 /nfs/dbraw/zinc/21/34/53/342213453.db2.gz LZZPZLJTZIAOBG-LLVKDONJSA-N 1 2 293.367 1.302 40 0 CDABLO CO[C@@H]1CCN(C(=O)c2nc3c(o2)CC[N@H+](C(C)C)C3)C1 ZINC000585112122 342213454 /nfs/dbraw/zinc/21/34/54/342213454.db2.gz LZZPZLJTZIAOBG-LLVKDONJSA-N 1 2 293.367 1.302 40 0 CDABLO COCCc1c[nH+]c2n1CCN(Cc1cc(C)on1)[C@H]2C ZINC000585098583 342212017 /nfs/dbraw/zinc/21/20/17/342212017.db2.gz UZIPEJCVKGWLSN-LBPRGKRZSA-N 1 2 290.367 1.945 40 0 CDABLO CC(=O)N1CC[C@@H](Cc2cccc(-c3c[nH+]cn3C)n2)C1 ZINC000585261153 342248955 /nfs/dbraw/zinc/24/89/55/342248955.db2.gz UMHIADACFHCTQV-ZDUSSCGKSA-N 1 2 284.363 1.893 40 0 CDABLO CC[C@H](C(=O)[O-])[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000629505584 362116256 /nfs/dbraw/zinc/11/62/56/362116256.db2.gz LUHFCJOFCDVQKN-CYBMUJFWSA-N 1 2 284.400 1.426 40 0 CDABLO c1coc(C[N@H+]2CCO[C@@H]3[C@@H](Cn4cnnc4)CC[C@H]32)c1 ZINC000247899521 362138106 /nfs/dbraw/zinc/13/81/06/362138106.db2.gz IBYCUDIKUZWKGW-BPLDGKMQSA-N 1 2 288.351 1.551 40 0 CDABLO c1coc(C[N@@H+]2CCO[C@@H]3[C@@H](Cn4cnnc4)CC[C@H]32)c1 ZINC000247899521 362138111 /nfs/dbraw/zinc/13/81/11/362138111.db2.gz IBYCUDIKUZWKGW-BPLDGKMQSA-N 1 2 288.351 1.551 40 0 CDABLO Cn1cc(C[NH+]2CC3(C2)OCC[C@H]3COCC2CC2)cn1 ZINC000248120768 362151394 /nfs/dbraw/zinc/15/13/94/362151394.db2.gz JZRWPYLXAHPWQW-HNNXBMFYSA-N 1 2 291.395 1.438 40 0 CDABLO Cc1cc(N2CCO[C@](C)(c3ccnc(C)n3)C2)nc[nH+]1 ZINC000257284285 362582180 /nfs/dbraw/zinc/58/21/80/362582180.db2.gz PCAVWVITGWBPIX-HNNXBMFYSA-N 1 2 285.351 1.635 40 0 CDABLO C[N@@H+]1CCO[C@@H]2CN(Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC000230181010 283014501 /nfs/dbraw/zinc/01/45/01/283014501.db2.gz RUCXTLUGYSUGFX-ZIAGYGMSSA-N 1 2 284.762 1.994 40 0 CDABLO C[N@H+]1CCO[C@@H]2CN(Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC000230181010 283014503 /nfs/dbraw/zinc/01/45/03/283014503.db2.gz RUCXTLUGYSUGFX-ZIAGYGMSSA-N 1 2 284.762 1.994 40 0 CDABLO CN1CCO[C@@H]2C[N@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC000230181010 283014504 /nfs/dbraw/zinc/01/45/04/283014504.db2.gz RUCXTLUGYSUGFX-ZIAGYGMSSA-N 1 2 284.762 1.994 40 0 CDABLO CN1CCO[C@@H]2C[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21 ZINC000230181010 283014506 /nfs/dbraw/zinc/01/45/06/283014506.db2.gz RUCXTLUGYSUGFX-ZIAGYGMSSA-N 1 2 284.762 1.994 40 0 CDABLO NC(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000015452130 356417407 /nfs/dbraw/zinc/41/74/07/356417407.db2.gz CGLCEBXNORPADT-SNVBAGLBSA-N 1 2 261.350 1.919 40 0 CDABLO NC(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000015452130 356417408 /nfs/dbraw/zinc/41/74/08/356417408.db2.gz CGLCEBXNORPADT-SNVBAGLBSA-N 1 2 261.350 1.919 40 0 CDABLO CCOC(=O)[C@@H]1SC(=S)N(c2ccccc2)[C@H]1[NH3+] ZINC000031749715 356769148 /nfs/dbraw/zinc/76/91/48/356769148.db2.gz RPPXQDPTSJOUGN-NXEZZACHSA-N 1 2 282.390 1.741 40 0 CDABLO Cc1ccccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000019913859 358221305 /nfs/dbraw/zinc/22/13/05/358221305.db2.gz KJRWWQLYPASADB-ZDUSSCGKSA-N 1 2 251.326 1.067 40 0 CDABLO Cc1cccc(C)c1OC[C@H]1C[N@H+](CCO)CCO1 ZINC000217493956 358678361 /nfs/dbraw/zinc/67/83/61/358678361.db2.gz LPXXPEIPQOPWHV-CQSZACIVSA-N 1 2 265.353 1.375 40 0 CDABLO Cc1cccc(C)c1OC[C@H]1C[N@@H+](CCO)CCO1 ZINC000217493956 358678365 /nfs/dbraw/zinc/67/83/65/358678365.db2.gz LPXXPEIPQOPWHV-CQSZACIVSA-N 1 2 265.353 1.375 40 0 CDABLO c1cn2c(n1)C[N@@H+]([C@@H]1CCOC1)C[C@H](COCC1CC1)C2 ZINC000096187922 358715024 /nfs/dbraw/zinc/71/50/24/358715024.db2.gz BOHNUBLZQFYJKU-HUUCEWRRSA-N 1 2 291.395 1.530 40 0 CDABLO c1cn2c(n1)C[N@H+]([C@@H]1CCOC1)C[C@H](COCC1CC1)C2 ZINC000096187922 358715026 /nfs/dbraw/zinc/71/50/26/358715026.db2.gz BOHNUBLZQFYJKU-HUUCEWRRSA-N 1 2 291.395 1.530 40 0 CDABLO Cc1ccc(C[N@@H+]2CCO[C@]3(C2)COCCN(C)C3)s1 ZINC000096229376 358723772 /nfs/dbraw/zinc/72/37/72/358723772.db2.gz VIWTYLKVIUDWKX-OAHLLOKOSA-N 1 2 296.436 1.590 40 0 CDABLO Cc1ccc(C[N@H+]2CCO[C@]3(C2)COCCN(C)C3)s1 ZINC000096229376 358723778 /nfs/dbraw/zinc/72/37/78/358723778.db2.gz VIWTYLKVIUDWKX-OAHLLOKOSA-N 1 2 296.436 1.590 40 0 CDABLO COCc1nc(C)cc(N(C)Cc2ccc(N)[nH+]c2)n1 ZINC000135983166 360210575 /nfs/dbraw/zinc/21/05/75/360210575.db2.gz AGIWIWAOZYILTG-UHFFFAOYSA-N 1 2 273.340 1.545 40 0 CDABLO O=C(NCC[NH+]1CCN(c2ccccc2F)CC1)C1CC1 ZINC000056997423 375391760 /nfs/dbraw/zinc/39/17/60/375391760.db2.gz LXBKFUIEWPBQTO-UHFFFAOYSA-N 1 2 291.370 1.474 40 0 CDABLO C[NH+]1CCN(C(=O)c2cn(-c3ccccc3)cn2)CC1 ZINC000227116018 375446133 /nfs/dbraw/zinc/44/61/33/375446133.db2.gz LCCGHADTFIXQIB-UHFFFAOYSA-N 1 2 270.336 1.260 40 0 CDABLO Cc1cc(C)nc([C@]2(C)CCCN2C(=O)Cn2cc[nH+]c2)n1 ZINC000257236072 190016968 /nfs/dbraw/zinc/01/69/68/190016968.db2.gz HARDXQVZXNULSL-INIZCTEOSA-N 1 2 299.378 1.828 40 0 CDABLO Cc1ncc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cn1 ZINC000257235429 190017098 /nfs/dbraw/zinc/01/70/98/190017098.db2.gz GXUWHDXJSCVXTK-CYBMUJFWSA-N 1 2 257.341 1.888 40 0 CDABLO Cc1ncc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cn1 ZINC000257235429 190017099 /nfs/dbraw/zinc/01/70/99/190017099.db2.gz GXUWHDXJSCVXTK-CYBMUJFWSA-N 1 2 257.341 1.888 40 0 CDABLO Cc1nn(C)c(C)c1C[N@@H+]1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257323361 190034315 /nfs/dbraw/zinc/03/43/15/190034315.db2.gz WJVRSOKTBSPLRB-GJZGRUSLSA-N 1 2 279.384 1.153 40 0 CDABLO Cc1nn(C)c(C)c1C[N@H+]1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257323361 190034316 /nfs/dbraw/zinc/03/43/16/190034316.db2.gz WJVRSOKTBSPLRB-GJZGRUSLSA-N 1 2 279.384 1.153 40 0 CDABLO CN(C)c1cc([C@@H]2CCCN2C(=O)c2ccn(C)n2)cc[nH+]1 ZINC000257344671 190037904 /nfs/dbraw/zinc/03/79/04/190037904.db2.gz ZYGFSZNXDZBPED-AWEZNQCLSA-N 1 2 299.378 1.858 40 0 CDABLO O=CN1CCCC[C@@H]1c1ccc[nH+]c1N1CCOCC1 ZINC000072216255 390621378 /nfs/dbraw/zinc/62/13/78/390621378.db2.gz WAUVBHQNJUSOGU-CQSZACIVSA-N 1 2 275.352 1.602 40 0 CDABLO CCOC(=O)c1cn(C)nc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000575441466 391383833 /nfs/dbraw/zinc/38/38/33/391383833.db2.gz OOVOEFHMAUMHIE-LLVKDONJSA-N 1 2 265.357 1.829 40 0 CDABLO CCOC(=O)c1cn(C)nc1C[N@H+]1CCC[C@@H](C)C1 ZINC000575441466 391383835 /nfs/dbraw/zinc/38/38/35/391383835.db2.gz OOVOEFHMAUMHIE-LLVKDONJSA-N 1 2 265.357 1.829 40 0 CDABLO COc1cccc([C@H]([NH3+])c2nnc(Cn3cccn3)[nH]2)c1 ZINC000095533556 393150095 /nfs/dbraw/zinc/15/00/95/393150095.db2.gz OCQIGHWFHDDDFG-ZDUSSCGKSA-N 1 2 284.323 1.106 40 0 CDABLO COC[C@@H](C)NC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000072595208 342556465 /nfs/dbraw/zinc/55/64/65/342556465.db2.gz FAXKSMSPMHEGDN-CYBMUJFWSA-N 1 2 292.379 1.284 40 0 CDABLO COC[C@H]1Cn2cc[nH+]c2CN(C(=O)c2ccoc2C)C1 ZINC000096059085 185079537 /nfs/dbraw/zinc/07/95/37/185079537.db2.gz DXQIHUUVLOWHGK-LBPRGKRZSA-N 1 2 289.335 1.703 40 0 CDABLO CNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21 ZINC000585111646 342213386 /nfs/dbraw/zinc/21/33/86/342213386.db2.gz DYHQBRFXFCITMW-HNNXBMFYSA-N 1 2 284.363 1.576 40 0 CDABLO CNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21 ZINC000585111646 342213387 /nfs/dbraw/zinc/21/33/87/342213387.db2.gz DYHQBRFXFCITMW-HNNXBMFYSA-N 1 2 284.363 1.576 40 0 CDABLO CCCC(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCC2CC2)C1 ZINC000585095884 342211689 /nfs/dbraw/zinc/21/16/89/342211689.db2.gz SCLNSZWYABOBNR-CYBMUJFWSA-N 1 2 290.367 1.093 40 0 CDABLO OC[C@]1(Cc2ccccc2)C[N@H+](Cc2cncnc2)CCO1 ZINC000585269038 342254388 /nfs/dbraw/zinc/25/43/88/342254388.db2.gz IPDCLUKITZLHLE-KRWDZBQOSA-N 1 2 299.374 1.283 40 0 CDABLO OC[C@]1(Cc2ccccc2)C[N@@H+](Cc2cncnc2)CCO1 ZINC000585269038 342254389 /nfs/dbraw/zinc/25/43/89/342254389.db2.gz IPDCLUKITZLHLE-KRWDZBQOSA-N 1 2 299.374 1.283 40 0 CDABLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCOc1ccc(Cl)cc1 ZINC000158635812 188386368 /nfs/dbraw/zinc/38/63/68/188386368.db2.gz DQRURFGXZHKXDM-AAEUAGOBSA-N 1 2 299.754 1.327 40 0 CDABLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCOc1ccc(Cl)cc1 ZINC000158635812 188386369 /nfs/dbraw/zinc/38/63/69/188386369.db2.gz DQRURFGXZHKXDM-AAEUAGOBSA-N 1 2 299.754 1.327 40 0 CDABLO CC(C)Nc1cc(N2CCC(CO)CC2)nc[nH+]1 ZINC000079439945 356996197 /nfs/dbraw/zinc/99/61/97/356996197.db2.gz NXZZAWKGRPKWHD-UHFFFAOYSA-N 1 2 250.346 1.506 40 0 CDABLO CC(C)Nc1cc(N2CCC(CO)CC2)[nH+]cn1 ZINC000079439945 356996199 /nfs/dbraw/zinc/99/61/99/356996199.db2.gz NXZZAWKGRPKWHD-UHFFFAOYSA-N 1 2 250.346 1.506 40 0 CDABLO O=C(C1CC1)N1CC[NH+](C[C@@H](O)c2cccs2)CC1 ZINC000056921522 358084384 /nfs/dbraw/zinc/08/43/84/358084384.db2.gz YBCVCOGJFJXRDV-GFCCVEGCSA-N 1 2 280.393 1.336 40 0 CDABLO Cc1nn(C)cc1[C@@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000192302298 358187640 /nfs/dbraw/zinc/18/76/40/358187640.db2.gz SFJLXWIRXSLDGF-ZCFIWIBFSA-N 1 2 266.736 1.927 40 0 CDABLO Cc1nn(C)cc1[C@@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000192302298 358187644 /nfs/dbraw/zinc/18/76/44/358187644.db2.gz SFJLXWIRXSLDGF-ZCFIWIBFSA-N 1 2 266.736 1.927 40 0 CDABLO CC(C)C[N@@H+]1CCc2[nH]nc(C(=O)N3CCCC3)c2C1 ZINC000096187390 358715033 /nfs/dbraw/zinc/71/50/33/358715033.db2.gz NPNRMECJTPKGAH-UHFFFAOYSA-N 1 2 276.384 1.660 40 0 CDABLO CC(C)C[N@H+]1CCc2[nH]nc(C(=O)N3CCCC3)c2C1 ZINC000096187390 358715035 /nfs/dbraw/zinc/71/50/35/358715035.db2.gz NPNRMECJTPKGAH-UHFFFAOYSA-N 1 2 276.384 1.660 40 0 CDABLO CC(C)C[C@H]1COCCN1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000073042474 359427465 /nfs/dbraw/zinc/42/74/65/359427465.db2.gz UDLNYCFUTXWKFX-KBPBESRZSA-N 1 2 294.399 1.728 40 0 CDABLO Cc1ccnc(NC(=S)NCCCn2cc[nH+]c2)c1 ZINC000225202373 359560534 /nfs/dbraw/zinc/56/05/34/359560534.db2.gz ISKDARUTHSEBPY-UHFFFAOYSA-N 1 2 275.381 1.963 40 0 CDABLO CCNC(=S)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000225221386 359561015 /nfs/dbraw/zinc/56/10/15/359561015.db2.gz PUKDXHHMLHERQM-UHFFFAOYSA-N 1 2 279.409 1.404 40 0 CDABLO C[NH+]1CCN(C(=O)c2conc2-c2ccccc2)CC1 ZINC000225871974 359625934 /nfs/dbraw/zinc/62/59/34/359625934.db2.gz XUXQBJNOMFVHNG-UHFFFAOYSA-N 1 2 271.320 1.729 40 0 CDABLO CCOC(=O)CNC(=O)C[NH+]1Cc2cc(C)c(C)cc2C1 ZINC000409206463 363963455 /nfs/dbraw/zinc/96/34/55/363963455.db2.gz ORBCQPIJFGLSMN-UHFFFAOYSA-N 1 2 290.363 1.298 40 0 CDABLO Cc1ncsc1C[N@@H+](C)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000079354216 374795904 /nfs/dbraw/zinc/79/59/04/374795904.db2.gz ZNXYWGOBPRAKAC-RYUDHWBXSA-N 1 2 297.424 1.567 40 0 CDABLO Cc1ncsc1C[N@H+](C)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000079354216 374795909 /nfs/dbraw/zinc/79/59/09/374795909.db2.gz ZNXYWGOBPRAKAC-RYUDHWBXSA-N 1 2 297.424 1.567 40 0 CDABLO Cc1nnc(C[N@H+](C)C[C@@H](O)COCc2ccccc2)o1 ZINC000079311505 374789925 /nfs/dbraw/zinc/78/99/25/374789925.db2.gz QXEZYRBBFGIPFX-CQSZACIVSA-N 1 2 291.351 1.388 40 0 CDABLO Cc1nnc(C[N@@H+](C)C[C@@H](O)COCc2ccccc2)o1 ZINC000079311505 374789931 /nfs/dbraw/zinc/78/99/31/374789931.db2.gz QXEZYRBBFGIPFX-CQSZACIVSA-N 1 2 291.351 1.388 40 0 CDABLO CNC(=O)[C@]1(c2cnccn2)CCC[N@@H+]1Cc1ccccc1 ZINC000257315783 190033083 /nfs/dbraw/zinc/03/30/83/190033083.db2.gz VCTBPLHTWFUTRX-QGZVFWFLSA-N 1 2 296.374 1.714 40 0 CDABLO CNC(=O)[C@]1(c2cnccn2)CCC[N@H+]1Cc1ccccc1 ZINC000257315783 190033084 /nfs/dbraw/zinc/03/30/84/190033084.db2.gz VCTBPLHTWFUTRX-QGZVFWFLSA-N 1 2 296.374 1.714 40 0 CDABLO CN1C(=O)CO[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]21 ZINC000067897242 377285680 /nfs/dbraw/zinc/28/56/80/377285680.db2.gz WFGQDLHTJQQDOY-OLZOCXBDSA-N 1 2 280.755 1.381 40 0 biogenic,in-vitro CDABLO CN1C(=O)CO[C@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@H]21 ZINC000067897242 377285685 /nfs/dbraw/zinc/28/56/85/377285685.db2.gz WFGQDLHTJQQDOY-OLZOCXBDSA-N 1 2 280.755 1.381 40 0 biogenic,in-vitro CDABLO Nc1[nH+]cnc(NCCCO[C@H]2CCOC2)c1Cl ZINC000302884963 391306452 /nfs/dbraw/zinc/30/64/52/391306452.db2.gz KNTNRDQVQLYBKV-QMMMGPOBSA-N 1 2 272.736 1.320 40 0 CDABLO Nc1nc[nH+]c(NCCCO[C@H]2CCOC2)c1Cl ZINC000302884963 391306456 /nfs/dbraw/zinc/30/64/56/391306456.db2.gz KNTNRDQVQLYBKV-QMMMGPOBSA-N 1 2 272.736 1.320 40 0 CDABLO CN(C)C(=O)[C@@H]1C[N@H+](Cc2ccsc2)Cc2ccnn21 ZINC000247986584 391424585 /nfs/dbraw/zinc/42/45/85/391424585.db2.gz KRLFRMLQIOKIJH-ZDUSSCGKSA-N 1 2 290.392 1.590 40 0 CDABLO CN(C)C(=O)[C@@H]1C[N@@H+](Cc2ccsc2)Cc2ccnn21 ZINC000247986584 391424588 /nfs/dbraw/zinc/42/45/88/391424588.db2.gz KRLFRMLQIOKIJH-ZDUSSCGKSA-N 1 2 290.392 1.590 40 0 CDABLO c1nn2c(c1CNc1ccc(N3CCOCC3)c[nH+]1)CCC2 ZINC000656769207 413656508 /nfs/dbraw/zinc/65/65/08/413656508.db2.gz RLAQSROFFDINJI-UHFFFAOYSA-N 1 2 299.378 1.673 40 0 CDABLO O[C@H]1COCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000077266061 177247023 /nfs/dbraw/zinc/24/70/23/177247023.db2.gz AKWYBKZUKXOITQ-GFCCVEGCSA-N 1 2 275.270 1.899 40 0 biogenic,in-vitro CDABLO O[C@H]1COCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000077266061 177247026 /nfs/dbraw/zinc/24/70/26/177247026.db2.gz AKWYBKZUKXOITQ-GFCCVEGCSA-N 1 2 275.270 1.899 40 0 biogenic,in-vitro CDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)C2CCOCC2)[nH+]1 ZINC000257326937 301024357 /nfs/dbraw/zinc/02/43/57/301024357.db2.gz WZDXMQMPULBPOO-LBPRGKRZSA-N 1 2 279.340 1.045 40 0 CDABLO CN(C)C(=O)N1Cc2[nH+]cn(C)c2[C@@H](COCC2CC2)C1 ZINC000096060259 185081905 /nfs/dbraw/zinc/08/19/05/185081905.db2.gz RKRHHBWTINTVFZ-GFCCVEGCSA-N 1 2 292.383 1.428 40 0 CDABLO Cc1cc(Cl)ccc1C[NH+]1CCN([C@H](C)C(N)=O)CC1 ZINC000136200307 362321832 /nfs/dbraw/zinc/32/18/32/362321832.db2.gz FJMBEVNOUJIVCW-GFCCVEGCSA-N 1 2 295.814 1.640 40 0 CDABLO Cc1cc(Cl)ccc1CN1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC000136200307 362321835 /nfs/dbraw/zinc/32/18/35/362321835.db2.gz FJMBEVNOUJIVCW-GFCCVEGCSA-N 1 2 295.814 1.640 40 0 CDABLO Cc1ccnc([C@@H]2CN(c3cc(C)[nH+]cn3)CCO2)n1 ZINC000257249337 362581090 /nfs/dbraw/zinc/58/10/90/362581090.db2.gz JHUBAOLXTCCRII-LBPRGKRZSA-N 1 2 271.324 1.461 40 0 CDABLO CCOC(=O)[C@]1(CC)C[NH2+]C[C@](CC)(C(=O)OCC)C1=O ZINC000017380099 356460302 /nfs/dbraw/zinc/46/03/02/356460302.db2.gz WGCCSOFWRUXEAE-GASCZTMLSA-N 1 2 299.367 1.078 40 0 CDABLO O=C1CCC(=O)N1c1cccc(C[NH+]2CCOCC2)c1 ZINC000028631935 356723052 /nfs/dbraw/zinc/72/30/52/356723052.db2.gz MUSCBPIEOFNRCQ-UHFFFAOYSA-N 1 2 274.320 1.172 40 0 CDABLO Cn1cc[nH+]c1CN1CCCC[C@@H]1c1ccnc(N)n1 ZINC000072385845 357832353 /nfs/dbraw/zinc/83/23/53/357832353.db2.gz ZHGOOEPFEHEDAZ-GFCCVEGCSA-N 1 2 272.356 1.520 40 0 CDABLO Cn1ccnc1C[N@@H+]1CCCC[C@@H]1c1ccnc(N)n1 ZINC000072385845 357832357 /nfs/dbraw/zinc/83/23/57/357832357.db2.gz ZHGOOEPFEHEDAZ-GFCCVEGCSA-N 1 2 272.356 1.520 40 0 CDABLO Cn1ccnc1C[N@H+]1CCCC[C@@H]1c1ccnc(N)n1 ZINC000072385845 357832361 /nfs/dbraw/zinc/83/23/61/357832361.db2.gz ZHGOOEPFEHEDAZ-GFCCVEGCSA-N 1 2 272.356 1.520 40 0 CDABLO COC[C@H]1Cn2cc[nH+]c2CN(Cc2csc(C)n2)C1 ZINC000096187744 358715487 /nfs/dbraw/zinc/71/54/87/358715487.db2.gz WSSHIVCKQIQNQF-GFCCVEGCSA-N 1 2 292.408 1.926 40 0 CDABLO CNC(=O)[C@H]1C[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]1O2 ZINC000096252741 358727436 /nfs/dbraw/zinc/72/74/36/358727436.db2.gz LLYUZCBWJDGEOR-HZSPNIEDSA-N 1 2 278.327 1.161 40 0 CDABLO CNC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]1O2 ZINC000096252741 358727438 /nfs/dbraw/zinc/72/74/38/358727438.db2.gz LLYUZCBWJDGEOR-HZSPNIEDSA-N 1 2 278.327 1.161 40 0 CDABLO CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccccn1 ZINC000096260280 358729672 /nfs/dbraw/zinc/72/96/72/358729672.db2.gz NMJWOISCOFCCGM-HNNXBMFYSA-N 1 2 286.379 1.951 40 0 CDABLO CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccccn1 ZINC000096260280 358729676 /nfs/dbraw/zinc/72/96/76/358729676.db2.gz NMJWOISCOFCCGM-HNNXBMFYSA-N 1 2 286.379 1.951 40 0 CDABLO O[C@@H](COc1ccccc1Cl)C[NH+]1CCOCC1 ZINC000026919736 359461552 /nfs/dbraw/zinc/46/15/52/359461552.db2.gz IAVFBMZOXYCLOZ-LLVKDONJSA-N 1 2 271.744 1.412 40 0 CDABLO C[C@H](Nc1nc[nH+]c2c1NC(=O)CN2)c1ccccn1 ZINC000041121386 359684149 /nfs/dbraw/zinc/68/41/49/359684149.db2.gz NVDSTNLGEFBQJX-QMMMGPOBSA-N 1 2 270.296 1.409 40 0 CDABLO C[C@H](Nc1[nH+]cnc2c1NC(=O)CN2)c1ccccn1 ZINC000041121386 359684151 /nfs/dbraw/zinc/68/41/51/359684151.db2.gz NVDSTNLGEFBQJX-QMMMGPOBSA-N 1 2 270.296 1.409 40 0 CDABLO Cc1c[nH+]ccc1NC(=O)N1C[C@@H](C)OC2(CCC2)C1 ZINC000335396164 360150793 /nfs/dbraw/zinc/15/07/93/360150793.db2.gz RJUYRHVCNAVVSM-GFCCVEGCSA-N 1 2 275.352 1.987 40 0 CDABLO COC(=O)[C@@H]1Cc2[nH]c[nH+]c2CN1Cc1cccs1 ZINC000015707155 284192803 /nfs/dbraw/zinc/19/28/03/284192803.db2.gz XRQQMSJQYLBQKG-LBPRGKRZSA-N 1 2 277.349 1.571 40 0 biogenic,in-vitro CDABLO COC(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1Cc1cccs1 ZINC000015707155 284192805 /nfs/dbraw/zinc/19/28/05/284192805.db2.gz XRQQMSJQYLBQKG-LBPRGKRZSA-N 1 2 277.349 1.571 40 0 biogenic,in-vitro CDABLO COC(=O)[C@@H](F)C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000225468411 374468967 /nfs/dbraw/zinc/46/89/67/374468967.db2.gz CPZLIZKMPPFBBK-STQMWFEESA-N 1 2 285.290 1.790 40 0 CDABLO COC(=O)[C@@H](F)C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000225468411 374468971 /nfs/dbraw/zinc/46/89/71/374468971.db2.gz CPZLIZKMPPFBBK-STQMWFEESA-N 1 2 285.290 1.790 40 0 CDABLO Cc1nc2ccc(NCCCNc3cccc[nH+]3)nn2n1 ZINC000225538524 375160896 /nfs/dbraw/zinc/16/08/96/375160896.db2.gz ANUGUNFKGKXBNL-UHFFFAOYSA-N 1 2 283.339 1.742 40 0 CDABLO CC[C@@H](C)CC(=O)N1CC[NH+]([C@H](C)C(=O)NC(C)C)CC1 ZINC000225629788 375174532 /nfs/dbraw/zinc/17/45/32/375174532.db2.gz CCJDANGJZKDFFN-ZIAGYGMSSA-N 1 2 297.443 1.480 40 0 CDABLO CCn1nccc1C[NH2+]Cc1ccn(CC(F)(F)F)n1 ZINC000256054599 190005301 /nfs/dbraw/zinc/00/53/01/190005301.db2.gz WYPLSLVYJTVVEO-UHFFFAOYSA-N 1 2 287.289 1.952 40 0 CDABLO Cc1ccccc1OC[C@H]1C[N@H+](CCO)CCO1 ZINC000217488480 375656258 /nfs/dbraw/zinc/65/62/58/375656258.db2.gz VEPNPEUOZZVETM-CYBMUJFWSA-N 1 2 251.326 1.067 40 0 CDABLO Cc1ccccc1OC[C@H]1C[N@@H+](CCO)CCO1 ZINC000217488480 375656262 /nfs/dbraw/zinc/65/62/62/375656262.db2.gz VEPNPEUOZZVETM-CYBMUJFWSA-N 1 2 251.326 1.067 40 0 CDABLO CCS(=O)(=O)N1CCC[C@@H]1c1cc[nH+]c(N(C)C)c1 ZINC000257221723 190014936 /nfs/dbraw/zinc/01/49/36/190014936.db2.gz DQGXHIIPWIVBMN-GFCCVEGCSA-N 1 2 283.397 1.634 40 0 CDABLO COc1ncc(C[N@@H+]2CCC[C@H]2c2cnccn2)cn1 ZINC000257247333 190019090 /nfs/dbraw/zinc/01/90/90/190019090.db2.gz IYNKJFOXZUZIGN-ZDUSSCGKSA-N 1 2 271.324 1.612 40 0 CDABLO COc1ncc(C[N@H+]2CCC[C@H]2c2cnccn2)cn1 ZINC000257247333 190019091 /nfs/dbraw/zinc/01/90/91/190019091.db2.gz IYNKJFOXZUZIGN-ZDUSSCGKSA-N 1 2 271.324 1.612 40 0 CDABLO Cc1nccc([C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000257308824 190031397 /nfs/dbraw/zinc/03/13/97/190031397.db2.gz TYGRNMYWIZXJJN-GFCCVEGCSA-N 1 2 257.341 1.888 40 0 CDABLO Cc1nccc([C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000257308824 190031398 /nfs/dbraw/zinc/03/13/98/190031398.db2.gz TYGRNMYWIZXJJN-GFCCVEGCSA-N 1 2 257.341 1.888 40 0 CDABLO O[C@H]1CC[N@H+](Cc2cnc[nH]2)CC[C@@H]1Oc1cccnc1 ZINC000257293155 190028536 /nfs/dbraw/zinc/02/85/36/190028536.db2.gz QOJGZGNGKLJZAC-GJZGRUSLSA-N 1 2 288.351 1.209 40 0 CDABLO O[C@H]1CC[N@@H+](Cc2cnc[nH]2)CC[C@@H]1Oc1cccnc1 ZINC000257293155 190028537 /nfs/dbraw/zinc/02/85/37/190028537.db2.gz QOJGZGNGKLJZAC-GJZGRUSLSA-N 1 2 288.351 1.209 40 0 CDABLO O=CN1CCCC[C@@H]1c1ccc(N2CCOCC2)[nH+]c1 ZINC000072216195 390620674 /nfs/dbraw/zinc/62/06/74/390620674.db2.gz IZXGVNDWMMLBDV-CQSZACIVSA-N 1 2 275.352 1.602 40 0 CDABLO CCC(=O)c1ccc(N2CCN(C=O)CC2)[nH+]c1C ZINC000072224722 390625167 /nfs/dbraw/zinc/62/51/67/390625167.db2.gz MUHAWLPABUIVRT-UHFFFAOYSA-N 1 2 261.325 1.261 40 0 CDABLO CC(=O)CCCSc1[nH+]cnc2c1cnn2C ZINC000071843001 176275500 /nfs/dbraw/zinc/27/55/00/176275500.db2.gz KAADIDZBNAPMLW-UHFFFAOYSA-N 1 2 250.327 1.825 40 0 CDABLO CC(=O)N1CCC[C@H](Cc2cncc(-n3cc[nH+]c3)n2)C1 ZINC000072360662 176377220 /nfs/dbraw/zinc/37/72/20/176377220.db2.gz YHCAYCKNFMKRPG-CYBMUJFWSA-N 1 2 285.351 1.463 40 0 CDABLO CNc1cc(C)[nH+]c([C@@H]2CCN(c3cc(C)ncn3)C2)n1 ZINC000072364088 176378740 /nfs/dbraw/zinc/37/87/40/176378740.db2.gz ICACVKNZJXEWDZ-GFCCVEGCSA-N 1 2 284.367 1.919 40 0 CDABLO Cn1c[nH+]cc1CN1CCO[C@H](c2ccccn2)C1 ZINC000072386191 176390944 /nfs/dbraw/zinc/39/09/44/176390944.db2.gz DNTZSKNIRNMRQL-AWEZNQCLSA-N 1 2 258.325 1.389 40 0 CDABLO NC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+]1Cc1ccc(O)cc1 ZINC000072388623 176393462 /nfs/dbraw/zinc/39/34/62/176393462.db2.gz DORVFCNIAPCTKQ-CYBMUJFWSA-N 1 2 286.335 1.551 40 0 CDABLO NC(=O)c1c[nH]nc1[C@H]1CCC[N@H+]1Cc1ccc(O)cc1 ZINC000072388623 176393463 /nfs/dbraw/zinc/39/34/63/176393463.db2.gz DORVFCNIAPCTKQ-CYBMUJFWSA-N 1 2 286.335 1.551 40 0 CDABLO NC(=O)c1cn[nH]c1[C@H]1CCC[N@@H+]1Cc1ccc(O)cc1 ZINC000072388623 176393464 /nfs/dbraw/zinc/39/34/64/176393464.db2.gz DORVFCNIAPCTKQ-CYBMUJFWSA-N 1 2 286.335 1.551 40 0 CDABLO NC(=O)c1cn[nH]c1[C@H]1CCC[N@H+]1Cc1ccc(O)cc1 ZINC000072388623 176393465 /nfs/dbraw/zinc/39/34/65/176393465.db2.gz DORVFCNIAPCTKQ-CYBMUJFWSA-N 1 2 286.335 1.551 40 0 CDABLO COc1c(N)[nH+]cnc1N1CCC(Cn2cccn2)CC1 ZINC000570827093 294318574 /nfs/dbraw/zinc/31/85/74/294318574.db2.gz ORLDOWAOCPLKMC-UHFFFAOYSA-N 1 2 288.355 1.181 40 0 CDABLO COc1c(N)nc[nH+]c1N1CCC(Cn2cccn2)CC1 ZINC000570827093 294318577 /nfs/dbraw/zinc/31/85/77/294318577.db2.gz ORLDOWAOCPLKMC-UHFFFAOYSA-N 1 2 288.355 1.181 40 0 CDABLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)OCc1ccccc1 ZINC000390768013 1158997933 /nfs/dbraw/zinc/99/79/33/1158997933.db2.gz JGAOTOPJSAYSPJ-CYBMUJFWSA-N 1 2 292.335 1.160 40 0 CDABLO COC[C@H]1CN(C(=O)c2cscn2)Cc2[nH+]cn(C)c21 ZINC000096044759 185071177 /nfs/dbraw/zinc/07/11/77/185071177.db2.gz MTFZHMHZQYWMHP-SECBINFHSA-N 1 2 292.364 1.263 40 0 CDABLO CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1[nH]cc(C)[nH+]1 ZINC000257276227 362582454 /nfs/dbraw/zinc/58/24/54/362582454.db2.gz NSWWPCVPACTZLA-LLVKDONJSA-N 1 2 286.401 1.442 40 0 CDABLO C[N@H+](Cc1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000065521662 363303207 /nfs/dbraw/zinc/30/32/07/363303207.db2.gz STNAQMSPSVCRHG-LBPRGKRZSA-N 1 2 297.376 1.077 40 0 CDABLO C[N@@H+](Cc1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000065521662 363303212 /nfs/dbraw/zinc/30/32/12/363303212.db2.gz STNAQMSPSVCRHG-LBPRGKRZSA-N 1 2 297.376 1.077 40 0 CDABLO C[NH+](C)[C@H]1[C@@H](c2ccccc2)S(=O)(=O)C1(C)C ZINC000031717079 356768569 /nfs/dbraw/zinc/76/85/69/356768569.db2.gz YSNZOYXZGPHAOW-NEPJUHHUSA-N 1 2 253.367 1.865 40 0 CDABLO CNc1ncc(C[NH+]2CCN(c3ccccn3)CC2)cn1 ZINC000072397883 357832934 /nfs/dbraw/zinc/83/29/34/357832934.db2.gz XQGWFZSNAFWEAA-UHFFFAOYSA-N 1 2 284.367 1.236 40 0 CDABLO c1cnn(Cc2c[nH+]c3n2CCN(Cc2ccoc2)C3)c1 ZINC000096201089 358718578 /nfs/dbraw/zinc/71/85/78/358718578.db2.gz RLTHQFDHTQDQGQ-UHFFFAOYSA-N 1 2 283.335 1.737 40 0 CDABLO CCCC(=O)N1CCC[C@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290878408 370081572 /nfs/dbraw/zinc/08/15/72/370081572.db2.gz DJOIKHPPJPBNCH-ZDUSSCGKSA-N 1 2 290.367 1.016 40 0 CDABLO OCC[N@@H+]1CCO[C@H](COc2cccc(Cl)c2)C1 ZINC000217484499 375655455 /nfs/dbraw/zinc/65/54/55/375655455.db2.gz XDUVGCMQEBYJJW-ZDUSSCGKSA-N 1 2 271.744 1.412 40 0 CDABLO OCC[N@H+]1CCO[C@H](COc2cccc(Cl)c2)C1 ZINC000217484499 375655460 /nfs/dbraw/zinc/65/54/60/375655460.db2.gz XDUVGCMQEBYJJW-ZDUSSCGKSA-N 1 2 271.744 1.412 40 0 CDABLO Cc1cc(C)nc([C@H]2CN(Cc3c[nH+]c[nH]3)CCO2)n1 ZINC000257208804 190011941 /nfs/dbraw/zinc/01/19/41/190011941.db2.gz BNQMICZYJXYYQP-CYBMUJFWSA-N 1 2 273.340 1.390 40 0 CDABLO Cc1cc(C)nc([C@H]2CN(Cc3c[nH]c[nH+]3)CCO2)n1 ZINC000257208804 190011942 /nfs/dbraw/zinc/01/19/42/190011942.db2.gz BNQMICZYJXYYQP-CYBMUJFWSA-N 1 2 273.340 1.390 40 0 CDABLO Cc1ccc(C[C@H]2COCC[N@H+](Cc3ncc[nH]3)C2)nc1 ZINC000257235642 190016970 /nfs/dbraw/zinc/01/69/70/190016970.db2.gz GYSZZNLTNRQICP-CQSZACIVSA-N 1 2 286.379 1.804 40 0 CDABLO Cc1ccc(C[C@H]2COCC[N@@H+](Cc3ncc[nH]3)C2)nc1 ZINC000257235642 190016971 /nfs/dbraw/zinc/01/69/71/190016971.db2.gz GYSZZNLTNRQICP-CQSZACIVSA-N 1 2 286.379 1.804 40 0 CDABLO Cc1nccnc1CC[C@@H]1COCCN1Cc1[nH]cc[nH+]1 ZINC000257216939 190014241 /nfs/dbraw/zinc/01/42/41/190014241.db2.gz CWTQVYPULYUWOV-CYBMUJFWSA-N 1 2 287.367 1.342 40 0 CDABLO Cc1c[nH]c([C@H]2CCN(S(=O)(=O)c3cccnc3)C2)[nH+]1 ZINC000257276541 190025818 /nfs/dbraw/zinc/02/58/18/190025818.db2.gz NUFNHCCOBXHFKL-NSHDSACASA-N 1 2 292.364 1.291 40 0 CDABLO CO[C@@H]1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC000257281460 190026037 /nfs/dbraw/zinc/02/60/37/190026037.db2.gz OPHSEBXROMHVGC-ITGUQSILSA-N 1 2 263.341 1.157 40 0 CDABLO CC(=O)N1CC[N@@H+](Cc2ccn(C)n2)C[C@@H]1c1ccccc1 ZINC000257291988 190027763 /nfs/dbraw/zinc/02/77/63/190027763.db2.gz QJMUDGMBNDIIHD-QGZVFWFLSA-N 1 2 298.390 1.826 40 0 CDABLO CC(=O)N1CC[N@H+](Cc2ccn(C)n2)C[C@@H]1c1ccccc1 ZINC000257291988 190027764 /nfs/dbraw/zinc/02/77/64/190027764.db2.gz QJMUDGMBNDIIHD-QGZVFWFLSA-N 1 2 298.390 1.826 40 0 CDABLO Cc1ocnc1C(=O)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257296477 190028514 /nfs/dbraw/zinc/02/85/14/190028514.db2.gz RDAKCRBGFGYGFS-NQBHXWOUSA-N 1 2 290.323 1.064 40 0 CDABLO CC(=O)N1CCCC[C@@H]1c1ccc[nH+]c1N1CCOCC1 ZINC000072216256 390621322 /nfs/dbraw/zinc/62/13/22/390621322.db2.gz DIYJQZVZZVAJJT-OAHLLOKOSA-N 1 2 289.379 1.992 40 0 CDABLO CC(=O)N1CCC[C@@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072355394 176375130 /nfs/dbraw/zinc/37/51/30/176375130.db2.gz SEBXFPCEBUYXJX-CYBMUJFWSA-N 1 2 270.336 1.993 40 0 CDABLO CC(=O)N1CCC(Cc2cnc(-n3cc[nH+]c3)cn2)CC1 ZINC000072364810 176380256 /nfs/dbraw/zinc/38/02/56/176380256.db2.gz VNJNLRKBXBDWGA-UHFFFAOYSA-N 1 2 285.351 1.463 40 0 CDABLO c1cnc(Nc2nccc([C@@H]3CCCC[NH2+]3)n2)nc1 ZINC000072376729 176385214 /nfs/dbraw/zinc/38/52/14/176385214.db2.gz VWFZWPUTOFPTLV-JTQLQIEISA-N 1 2 256.313 1.825 40 0 CDABLO CC(C)n1nccc1C[N@@H+]1CCO[C@](C)(C(=O)N(C)C)C1 ZINC000072379936 176387226 /nfs/dbraw/zinc/38/72/26/176387226.db2.gz VDZHQGGUQVHYKN-HNNXBMFYSA-N 1 2 294.399 1.143 40 0 CDABLO CC(C)n1nccc1C[N@H+]1CCO[C@](C)(C(=O)N(C)C)C1 ZINC000072379936 176387228 /nfs/dbraw/zinc/38/72/28/176387228.db2.gz VDZHQGGUQVHYKN-HNNXBMFYSA-N 1 2 294.399 1.143 40 0 CDABLO NC(=O)C[N@@H+]1CCC[C@@H]1c1ccnc(Nc2ccccn2)n1 ZINC000072383077 176388181 /nfs/dbraw/zinc/38/81/81/176388181.db2.gz XTUIZJJFOASCQL-GFCCVEGCSA-N 1 2 298.350 1.237 40 0 CDABLO NC(=O)C[N@H+]1CCC[C@@H]1c1ccnc(Nc2ccccn2)n1 ZINC000072383077 176388183 /nfs/dbraw/zinc/38/81/83/176388183.db2.gz XTUIZJJFOASCQL-GFCCVEGCSA-N 1 2 298.350 1.237 40 0 CDABLO COc1ccc(-c2noc([C@H](C)n3cc[nH+]c3)n2)cn1 ZINC000078774765 177385596 /nfs/dbraw/zinc/38/55/96/177385596.db2.gz MCYPTHDLRMRSBX-VIFPVBQESA-N 1 2 271.280 1.946 40 0 CDABLO [NH3+][C@H](c1nnc(Cn2cccn2)[nH]1)c1ccc(F)cc1 ZINC000095533291 185006365 /nfs/dbraw/zinc/00/63/65/185006365.db2.gz CIAVOBGDQOAOJY-LBPRGKRZSA-N 1 2 272.287 1.237 40 0 CDABLO C[C@]12C[C@@H](C(F)(F)F)[NH2+][C@H]1CCCCC(=O)N2 ZINC000095951592 185039718 /nfs/dbraw/zinc/03/97/18/185039718.db2.gz AMJNSOOTAJOTGJ-NRPADANISA-N 1 2 250.264 1.728 40 0 CDABLO CCOC[C@@H]1C[N@H+](Cc2cnn(C)c2)Cc2nn(C)cc21 ZINC000096060376 185080980 /nfs/dbraw/zinc/08/09/80/185080980.db2.gz HOVHAHQEJZXFFV-ZDUSSCGKSA-N 1 2 289.383 1.290 40 0 CDABLO CCOC[C@@H]1C[N@@H+](Cc2cnn(C)c2)Cc2nn(C)cc21 ZINC000096060376 185080982 /nfs/dbraw/zinc/08/09/82/185080982.db2.gz HOVHAHQEJZXFFV-ZDUSSCGKSA-N 1 2 289.383 1.290 40 0 CDABLO Cn1nc(C[NH+](C)C)c2c1CN(C(=O)c1ccncc1)C2 ZINC000096259069 358728514 /nfs/dbraw/zinc/72/85/14/358728514.db2.gz GRRQLKCZXPPNAJ-UHFFFAOYSA-N 1 2 285.351 1.033 40 0 CDABLO CC(C)NC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057467018 359100028 /nfs/dbraw/zinc/10/00/28/359100028.db2.gz RYXDRVLHUCXTCR-UHFFFAOYSA-N 1 2 279.359 1.472 40 0 CDABLO C[N@H+](Cc1cccc(F)c1)[C@@]1(C)CCS(=O)(=O)C1 ZINC000575422273 364820976 /nfs/dbraw/zinc/82/09/76/364820976.db2.gz UMSBOIMVDGMZKP-ZDUSSCGKSA-N 1 2 271.357 1.835 40 0 CDABLO C[N@@H+](Cc1cccc(F)c1)[C@@]1(C)CCS(=O)(=O)C1 ZINC000575422273 364820981 /nfs/dbraw/zinc/82/09/81/364820981.db2.gz UMSBOIMVDGMZKP-ZDUSSCGKSA-N 1 2 271.357 1.835 40 0 CDABLO Cn1nccc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000333172330 205090988 /nfs/dbraw/zinc/09/09/88/205090988.db2.gz QCJDFJKAAMDBKZ-UHFFFAOYSA-N 1 2 259.313 1.163 40 0 CDABLO Cn1nccc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000333172330 205090992 /nfs/dbraw/zinc/09/09/92/205090992.db2.gz QCJDFJKAAMDBKZ-UHFFFAOYSA-N 1 2 259.313 1.163 40 0 CDABLO CCn1nccc1C[NH2+]Cc1ccn(CC(F)F)n1 ZINC000256052737 190004284 /nfs/dbraw/zinc/00/42/84/190004284.db2.gz OLNXMWBGZFWYCV-UHFFFAOYSA-N 1 2 269.299 1.654 40 0 CDABLO C[NH2+][C@@H]1CC[C@@](CNC(C)=O)(c2ccccc2)CC[C@H]1O ZINC000257325766 190033907 /nfs/dbraw/zinc/03/39/07/190033907.db2.gz WUHUHIAYQSWOAQ-BRWVUGGUSA-N 1 2 290.407 1.583 40 0 CDABLO COC(=O)c1cn(-c2cc[nH+]c3ccccc32)nn1 ZINC000218789915 375896268 /nfs/dbraw/zinc/89/62/68/375896268.db2.gz GEJSVNVDVHTKME-UHFFFAOYSA-N 1 2 254.249 1.602 40 0 CDABLO C[C@]1(O)C[N@H+](Cc2cc[nH]n2)CC[C@@H]1Oc1ccccc1 ZINC000257340109 190037148 /nfs/dbraw/zinc/03/71/48/190037148.db2.gz ZEPJMTPFWBTASF-HOTGVXAUSA-N 1 2 287.363 1.814 40 0 CDABLO C[C@]1(O)C[N@@H+](Cc2cc[nH]n2)CC[C@@H]1Oc1ccccc1 ZINC000257340109 190037149 /nfs/dbraw/zinc/03/71/49/190037149.db2.gz ZEPJMTPFWBTASF-HOTGVXAUSA-N 1 2 287.363 1.814 40 0 CDABLO O=C(NCCNc1ccc2ccccc2[nH+]1)[C@@H]1CCC(=O)N1 ZINC000073941128 378974538 /nfs/dbraw/zinc/97/45/38/378974538.db2.gz GHTGNLYPDZUUQX-ZDUSSCGKSA-N 1 2 298.346 1.042 40 0 CDABLO CNC(=O)[C@@H]1CC[N@H+](Cc2ncc(C(F)(F)F)s2)C1 ZINC000421392731 391857968 /nfs/dbraw/zinc/85/79/68/391857968.db2.gz RKNDUXQCKKBGKY-SSDOTTSWSA-N 1 2 293.314 1.730 40 0 CDABLO CNC(=O)[C@@H]1CC[N@@H+](Cc2ncc(C(F)(F)F)s2)C1 ZINC000421392731 391857972 /nfs/dbraw/zinc/85/79/72/391857972.db2.gz RKNDUXQCKKBGKY-SSDOTTSWSA-N 1 2 293.314 1.730 40 0 CDABLO COc1cc2c(cc1OC)C[N@@H+]1CCC(=O)C[C@@H]1C2 ZINC000031689639 286259564 /nfs/dbraw/zinc/25/95/64/286259564.db2.gz LTRGVYPKENVTPE-LBPRGKRZSA-N 1 2 261.321 1.793 40 0 CDABLO COc1cc2c(cc1OC)C[N@H+]1CCC(=O)C[C@@H]1C2 ZINC000031689639 286259565 /nfs/dbraw/zinc/25/95/65/286259565.db2.gz LTRGVYPKENVTPE-LBPRGKRZSA-N 1 2 261.321 1.793 40 0 CDABLO COc1ccc(-n2ncc3c2nc[nH+]c3NCCCO)cc1 ZINC000006470259 170203515 /nfs/dbraw/zinc/20/35/15/170203515.db2.gz IZLQCTYMASADFY-UHFFFAOYSA-N 1 2 299.334 1.618 40 0 CDABLO CCN1CNC(Nc2nc(C)c3ccc(C)cc3n2)=[NH+]C1 ZINC000020634310 171268423 /nfs/dbraw/zinc/26/84/23/171268423.db2.gz DCCHICFRSLHZBF-UHFFFAOYSA-N 1 2 284.367 1.855 40 0 CDABLO Cn1ncc2c1nc[nH+]c2SCCCCCO ZINC000072058105 176311242 /nfs/dbraw/zinc/31/12/42/176311242.db2.gz OHVVOPXOAHWPSX-UHFFFAOYSA-N 1 2 252.343 1.618 40 0 CDABLO CNc1cccc([C@@H]2CCCN(C(=O)c3cnccn3)C2)[nH+]1 ZINC000072363943 176379110 /nfs/dbraw/zinc/37/91/10/176379110.db2.gz TUKGSJZIUOFOMC-GFCCVEGCSA-N 1 2 297.362 1.933 40 0 CDABLO Cc1nc(NC(=O)[C@@]2(C)C[N@H+](C)CCO2)sc1C ZINC000072379369 176386522 /nfs/dbraw/zinc/38/65/22/176386522.db2.gz WKQUSVSFTRVNCW-GFCCVEGCSA-N 1 2 269.370 1.419 40 0 CDABLO Cc1nc(NC(=O)[C@@]2(C)C[N@@H+](C)CCO2)sc1C ZINC000072379369 176386524 /nfs/dbraw/zinc/38/65/24/176386524.db2.gz WKQUSVSFTRVNCW-GFCCVEGCSA-N 1 2 269.370 1.419 40 0 CDABLO CC(C)Cn1cc[nH+]c1CNc1cnn(C)c(=O)c1Cl ZINC000078336883 177333749 /nfs/dbraw/zinc/33/37/49/177333749.db2.gz SZYTUGAYVAPANP-UHFFFAOYSA-N 1 2 295.774 1.898 40 0 CDABLO Cc1nc(N2CC[NH+](C)CC2)nc2c1C(=O)CC(C)(C)C2 ZINC000010156550 293297469 /nfs/dbraw/zinc/29/74/69/293297469.db2.gz RGRDJOAMGWVPPR-UHFFFAOYSA-N 1 2 288.395 1.692 40 0 CDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cncs2)[nH+]1 ZINC000257342134 301024756 /nfs/dbraw/zinc/02/47/56/301024756.db2.gz ZNEVMWCLCKAWRQ-VIFPVBQESA-N 1 2 278.337 1.388 40 0 CDABLO Cc1cccc(N2C(=[NH2+])S[C@@H]3CS(=O)(=O)C[C@@H]32)c1C ZINC000137924931 301997169 /nfs/dbraw/zinc/99/71/69/301997169.db2.gz JEJGQAOQDYDXOB-NWDGAFQWSA-N 1 2 296.417 1.957 40 0 CDABLO Cn1c[nH+]c2c1[C@@H](CO)CN(C(=O)OC(C)(C)C)C2 ZINC000095698611 342556936 /nfs/dbraw/zinc/55/69/36/342556936.db2.gz DXYWKGYOLJMGOD-SECBINFHSA-N 1 2 267.329 1.247 40 0 CDABLO CN(C)C(=O)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)O1 ZINC000096057468 185077366 /nfs/dbraw/zinc/07/73/66/185077366.db2.gz IIPXDHDGFSKASO-IJLUTSLNSA-N 1 2 295.408 1.353 40 0 CDABLO CN(C)C(=O)[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)O1 ZINC000096057468 185077367 /nfs/dbraw/zinc/07/73/67/185077367.db2.gz IIPXDHDGFSKASO-IJLUTSLNSA-N 1 2 295.408 1.353 40 0 CDABLO C[C@H]1c2[nH+]cc(Cn3cccn3)n2CCN1C(=O)N(C)C ZINC000096062079 185083097 /nfs/dbraw/zinc/08/30/97/185083097.db2.gz SYSBGAAQAZVPMF-NSHDSACASA-N 1 2 288.355 1.186 40 0 CDABLO Cn1c[nH+]c2c1C[C@H](CO)N(C(=O)C1=CCCCC1)C2 ZINC000585094977 342211422 /nfs/dbraw/zinc/21/14/22/342211422.db2.gz YAFCNLDMDFBXHE-GFCCVEGCSA-N 1 2 275.352 1.166 40 0 CDABLO COC[C@@H]1CCn2cncc2C[N@@H+]1Cc1cn[nH]c1 ZINC000585098297 342211683 /nfs/dbraw/zinc/21/16/83/342211683.db2.gz VRIMBFOZNSDYDE-LBPRGKRZSA-N 1 2 261.329 1.027 40 0 CDABLO COC[C@@H]1CCn2cncc2C[N@H+]1Cc1cn[nH]c1 ZINC000585098297 342211684 /nfs/dbraw/zinc/21/16/84/342211684.db2.gz VRIMBFOZNSDYDE-LBPRGKRZSA-N 1 2 261.329 1.027 40 0 CDABLO CCOc1cc(N2CC[NH+](Cc3ccccn3)CC2)ncn1 ZINC000136003605 136392460 /nfs/dbraw/zinc/39/24/60/136392460.db2.gz SJZAHTUTOXVMMT-UHFFFAOYSA-N 1 2 299.378 1.593 40 0 CDABLO Cc1c[nH]nc1[C@H]1COCCN1Cc1[nH]c[nH+]c1C ZINC000257305068 362584234 /nfs/dbraw/zinc/58/42/34/362584234.db2.gz SOHQRDKXGXPRFV-GFCCVEGCSA-N 1 2 261.329 1.323 40 0 CDABLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CCCC1 ZINC000152749513 188040459 /nfs/dbraw/zinc/04/04/59/188040459.db2.gz UYDYSXPHQILLFA-CYBMUJFWSA-N 1 2 259.353 1.967 40 0 CDABLO CC(C)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020036389 356522301 /nfs/dbraw/zinc/52/23/01/356522301.db2.gz VALFARXYXBNNAT-UHFFFAOYSA-N 1 2 262.353 1.657 40 0 CDABLO C[N@H+](CCO)Cc1ccccc1I ZINC000079420673 356996672 /nfs/dbraw/zinc/99/66/72/356996672.db2.gz FNWLKTZYSDCCMK-UHFFFAOYSA-N 1 2 291.132 1.715 40 0 CDABLO C[N@@H+](CCO)Cc1ccccc1I ZINC000079420673 356996675 /nfs/dbraw/zinc/99/66/75/356996675.db2.gz FNWLKTZYSDCCMK-UHFFFAOYSA-N 1 2 291.132 1.715 40 0 CDABLO C1=CC[C@@H]([C@H]2OC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000036001094 357126111 /nfs/dbraw/zinc/12/61/11/357126111.db2.gz AAPOJYKIJJMKDM-RDBSUJKOSA-N 1 2 253.342 1.416 40 0 CDABLO O=C(CCc1c[nH+]c[nH]1)N1CCN(c2cccs2)CC1 ZINC000193511921 358299858 /nfs/dbraw/zinc/29/98/58/358299858.db2.gz UBPKENBFFOOJAF-UHFFFAOYSA-N 1 2 290.392 1.753 40 0 CDABLO O=C(CCc1c[nH]c[nH+]1)N1CCN(c2cccs2)CC1 ZINC000193511921 358299859 /nfs/dbraw/zinc/29/98/59/358299859.db2.gz UBPKENBFFOOJAF-UHFFFAOYSA-N 1 2 290.392 1.753 40 0 CDABLO c1cnn(C[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2ccccn2)c1 ZINC000096250257 358726255 /nfs/dbraw/zinc/72/62/55/358726255.db2.gz RFGSQPGCXTZOQZ-XIRDDKMYSA-N 1 2 298.390 1.958 40 0 CDABLO c1cnn(C[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2ccccn2)c1 ZINC000096250257 358726264 /nfs/dbraw/zinc/72/62/64/358726264.db2.gz RFGSQPGCXTZOQZ-XIRDDKMYSA-N 1 2 298.390 1.958 40 0 CDABLO S=C(NCCCn1cc[nH+]c1)Nc1ncccn1 ZINC000225177423 359555042 /nfs/dbraw/zinc/55/50/42/359555042.db2.gz KOONIRBSAACLNG-UHFFFAOYSA-N 1 2 262.342 1.050 40 0 CDABLO CCn1ncc(C)c1C[NH2+]Cc1ccn(CCF)n1 ZINC000256053259 190004849 /nfs/dbraw/zinc/00/48/49/190004849.db2.gz QSWVETKTTWVEIN-UHFFFAOYSA-N 1 2 265.336 1.667 40 0 CDABLO Cc1nn(C)c(F)c1C[NH2+]Cc1ccn(CC(F)F)n1 ZINC000256052059 190003823 /nfs/dbraw/zinc/00/38/23/190003823.db2.gz LSYPLEPKVSYDCD-UHFFFAOYSA-N 1 2 287.289 1.619 40 0 CDABLO Cc1cc(C[C@H]2COCC[N@H+](Cc3cc[nH]n3)C2)ncn1 ZINC000257232358 190016980 /nfs/dbraw/zinc/01/69/80/190016980.db2.gz GKOCTVHXEIFPBV-CYBMUJFWSA-N 1 2 287.367 1.199 40 0 CDABLO Cc1cc(C[C@H]2COCC[N@@H+](Cc3cc[nH]n3)C2)ncn1 ZINC000257232358 190016981 /nfs/dbraw/zinc/01/69/81/190016981.db2.gz GKOCTVHXEIFPBV-CYBMUJFWSA-N 1 2 287.367 1.199 40 0 CDABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3cn(C)nc3C)C2)[nH+]1 ZINC000257239845 190017885 /nfs/dbraw/zinc/01/78/85/190017885.db2.gz HRBFBNWQJKPZGL-NSHDSACASA-N 1 2 273.340 1.390 40 0 CDABLO CC(=O)N1CCN(Cc2c[nH+]c[nH]2)[C@H](c2ccccc2)C1 ZINC000257256111 190021404 /nfs/dbraw/zinc/02/14/04/190021404.db2.gz KKDMAESWSVMCTF-INIZCTEOSA-N 1 2 284.363 1.815 40 0 CDABLO CC(=O)N1CCN(Cc2c[nH]c[nH+]2)[C@H](c2ccccc2)C1 ZINC000257256111 190021405 /nfs/dbraw/zinc/02/14/05/190021405.db2.gz KKDMAESWSVMCTF-INIZCTEOSA-N 1 2 284.363 1.815 40 0 CDABLO CNc1cccc([C@H]2CN(Cc3c[nH+]c[nH]3)CCO2)n1 ZINC000257256078 190021419 /nfs/dbraw/zinc/02/14/19/190021419.db2.gz KKAHZAKDLOPXCI-CYBMUJFWSA-N 1 2 273.340 1.420 40 0 CDABLO CNc1cccc([C@H]2CN(Cc3c[nH]c[nH+]3)CCO2)n1 ZINC000257256078 190021420 /nfs/dbraw/zinc/02/14/20/190021420.db2.gz KKAHZAKDLOPXCI-CYBMUJFWSA-N 1 2 273.340 1.420 40 0 CDABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3cncs3)C2)[nH+]1 ZINC000257282077 190026599 /nfs/dbraw/zinc/02/65/99/190026599.db2.gz OSGGIZIRFRWWIX-VIFPVBQESA-N 1 2 262.338 1.804 40 0 CDABLO Cc1[nH+]c[nH]c1CN1CCO[C@H](c2nc(C)cc(C)n2)C1 ZINC000257314938 190032667 /nfs/dbraw/zinc/03/26/67/190032667.db2.gz UZFGQFLNMXQUSX-AWEZNQCLSA-N 1 2 287.367 1.698 40 0 CDABLO CCCn1cc(C[N@@H+]2CCO[C@@H](c3nc(C)c[nH]3)C2)cn1 ZINC000257320085 190033731 /nfs/dbraw/zinc/03/37/31/190033731.db2.gz VVHZWVBCLPGQQF-CQSZACIVSA-N 1 2 289.383 1.898 40 0 CDABLO CCCn1cc(C[N@H+]2CCO[C@@H](c3nc(C)c[nH]3)C2)cn1 ZINC000257320085 190033732 /nfs/dbraw/zinc/03/37/32/190033732.db2.gz VVHZWVBCLPGQQF-CQSZACIVSA-N 1 2 289.383 1.898 40 0 CDABLO CN1CC[N@H+](Cc2cnccn2)C[C@@H]1c1ccccc1 ZINC000257333856 190035948 /nfs/dbraw/zinc/03/59/48/190035948.db2.gz YDJYFADTBPYTIG-MRXNPFEDSA-N 1 2 268.364 1.965 40 0 CDABLO CN1CC[N@@H+](Cc2cnccn2)C[C@@H]1c1ccccc1 ZINC000257333856 190035949 /nfs/dbraw/zinc/03/59/49/190035949.db2.gz YDJYFADTBPYTIG-MRXNPFEDSA-N 1 2 268.364 1.965 40 0 CDABLO CC(=O)N1CCCC[C@H]1c1ccc(N2CCOCC2)[nH+]c1 ZINC000072216197 390621330 /nfs/dbraw/zinc/62/13/30/390621330.db2.gz VCIQHGBNAIGLRK-HNNXBMFYSA-N 1 2 289.379 1.992 40 0 CDABLO Cc1[nH+]c(N2CC[NH+](C(C)C)CC2)ccc1C(=O)[O-] ZINC000072224745 390625102 /nfs/dbraw/zinc/62/51/02/390625102.db2.gz VTGMNNUYPASXJH-UHFFFAOYSA-N 1 2 263.341 1.619 40 0 CDABLO COc1ccc(C[C@H]2C[N@H+](C)CCC2=O)c(OC)c1OC ZINC000242722736 391944720 /nfs/dbraw/zinc/94/47/20/391944720.db2.gz XSYIRQWGEVMRHB-LBPRGKRZSA-N 1 2 293.363 1.776 40 0 CDABLO COc1ccc(C[C@H]2C[N@@H+](C)CCC2=O)c(OC)c1OC ZINC000242722736 391944726 /nfs/dbraw/zinc/94/47/26/391944726.db2.gz XSYIRQWGEVMRHB-LBPRGKRZSA-N 1 2 293.363 1.776 40 0 CDABLO C[C@@H]1CCCC[N@@H+]1c1ccc(-n2cnnc2)cc1C(N)=O ZINC000226279790 393193410 /nfs/dbraw/zinc/19/34/10/393193410.db2.gz UZKLNUUXSWTTDX-LLVKDONJSA-N 1 2 285.351 1.745 40 0 CDABLO C[C@@H]1CCCC[N@H+]1c1ccc(-n2cnnc2)cc1C(N)=O ZINC000226279790 393193414 /nfs/dbraw/zinc/19/34/14/393193414.db2.gz UZKLNUUXSWTTDX-LLVKDONJSA-N 1 2 285.351 1.745 40 0 CDABLO CO[C@H]1CSC2(C[NH+](Cc3cc(C)nn3C)C2)C1 ZINC000248014821 286079771 /nfs/dbraw/zinc/07/97/71/286079771.db2.gz FUADGRMLWOEIDX-GFCCVEGCSA-N 1 2 267.398 1.435 40 0 CDABLO Cc1ccc(S(=O)(=O)NCCc2c[nH+]c[nH]2)cc1 ZINC000006694333 170226748 /nfs/dbraw/zinc/22/67/48/170226748.db2.gz RFLBGUBESCTFJO-UHFFFAOYSA-N 1 2 265.338 1.239 40 0 CDABLO Cc1ccc(S(=O)(=O)NCCc2c[nH]c[nH+]2)cc1 ZINC000006694333 170226749 /nfs/dbraw/zinc/22/67/49/170226749.db2.gz RFLBGUBESCTFJO-UHFFFAOYSA-N 1 2 265.338 1.239 40 0 CDABLO Cc1noc([C@@H]2CCC[N@@H+](Cc3nccn3C)C2)n1 ZINC000072364303 176379491 /nfs/dbraw/zinc/37/94/91/176379491.db2.gz ULEQKYSHINFWIA-LLVKDONJSA-N 1 2 261.329 1.491 40 0 CDABLO Cc1noc([C@@H]2CCC[N@H+](Cc3nccn3C)C2)n1 ZINC000072364303 176379493 /nfs/dbraw/zinc/37/94/93/176379493.db2.gz ULEQKYSHINFWIA-LLVKDONJSA-N 1 2 261.329 1.491 40 0 CDABLO CNc1ccc([C@H]2CN(Cc3[nH]cc[nH+]3)CCO2)nc1 ZINC000072380995 176387147 /nfs/dbraw/zinc/38/71/47/176387147.db2.gz NNGYYZPVMZOIKC-CYBMUJFWSA-N 1 2 273.340 1.420 40 0 CDABLO Cn1cc[nH+]c1CN1CCCC[C@H]1c1ccnc(N)n1 ZINC000072385846 176390373 /nfs/dbraw/zinc/39/03/73/176390373.db2.gz ZHGOOEPFEHEDAZ-LBPRGKRZSA-N 1 2 272.356 1.520 40 0 CDABLO Cn1ccnc1C[N@@H+]1CCCC[C@H]1c1ccnc(N)n1 ZINC000072385846 176390374 /nfs/dbraw/zinc/39/03/74/176390374.db2.gz ZHGOOEPFEHEDAZ-LBPRGKRZSA-N 1 2 272.356 1.520 40 0 CDABLO Cn1ccnc1C[N@H+]1CCCC[C@H]1c1ccnc(N)n1 ZINC000072385846 176390375 /nfs/dbraw/zinc/39/03/75/176390375.db2.gz ZHGOOEPFEHEDAZ-LBPRGKRZSA-N 1 2 272.356 1.520 40 0 CDABLO Cc1nc(C[N@@H+]2CCC[C@@](C)(c3cc[nH]n3)C2)no1 ZINC000072386279 176391483 /nfs/dbraw/zinc/39/14/83/176391483.db2.gz UXTHRABHIRWMLA-CYBMUJFWSA-N 1 2 261.329 1.655 40 0 CDABLO Cc1nc(C[N@H+]2CCC[C@@](C)(c3cc[nH]n3)C2)no1 ZINC000072386279 176391484 /nfs/dbraw/zinc/39/14/84/176391484.db2.gz UXTHRABHIRWMLA-CYBMUJFWSA-N 1 2 261.329 1.655 40 0 CDABLO Cc1nc(C[N@@H+]2CCC[C@H](Cc3ccc(N)nn3)C2)no1 ZINC000072387341 176392874 /nfs/dbraw/zinc/39/28/74/176392874.db2.gz DYXDCHXEJNPHOL-LLVKDONJSA-N 1 2 288.355 1.205 40 0 CDABLO Cc1nc(C[N@H+]2CCC[C@H](Cc3ccc(N)nn3)C2)no1 ZINC000072387341 176392875 /nfs/dbraw/zinc/39/28/75/176392875.db2.gz DYXDCHXEJNPHOL-LLVKDONJSA-N 1 2 288.355 1.205 40 0 CDABLO CC(C)(C)OC(=O)N1Cc2c[nH+]cn2C[C@@H](CO)C1 ZINC000306128282 275521715 /nfs/dbraw/zinc/52/17/15/275521715.db2.gz GVYNBDUBWFTAFQ-JTQLQIEISA-N 1 2 267.329 1.242 40 0 CDABLO CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3cscn3)C[C@@H]21 ZINC000108526652 279395284 /nfs/dbraw/zinc/39/52/84/279395284.db2.gz HZBFZZILKOGERQ-RYUDHWBXSA-N 1 2 281.381 1.078 40 0 CDABLO CC[N@H+]1CCO[C@H]2CCN(C(=O)c3cscn3)C[C@@H]21 ZINC000108526652 279395285 /nfs/dbraw/zinc/39/52/85/279395285.db2.gz HZBFZZILKOGERQ-RYUDHWBXSA-N 1 2 281.381 1.078 40 0 CDABLO CCOC[C@H]1C[N@H+](Cc2cnn(C)c2)Cc2ncn(C)c21 ZINC000096060207 185080353 /nfs/dbraw/zinc/08/03/53/185080353.db2.gz NONQYYKKVVYSRX-CYBMUJFWSA-N 1 2 289.383 1.290 40 0 CDABLO CCOC[C@H]1C[N@@H+](Cc2cnn(C)c2)Cc2ncn(C)c21 ZINC000096060207 185080355 /nfs/dbraw/zinc/08/03/55/185080355.db2.gz NONQYYKKVVYSRX-CYBMUJFWSA-N 1 2 289.383 1.290 40 0 CDABLO CCOCc1cnc2n1CC[N@@H+](Cc1cnn(C)c1)[C@@H]2C ZINC000096109654 185099731 /nfs/dbraw/zinc/09/97/31/185099731.db2.gz CJEZLCACPQHMFL-GFCCVEGCSA-N 1 2 289.383 1.730 40 0 CDABLO CCOCc1cnc2n1CC[N@H+](Cc1cnn(C)c1)[C@@H]2C ZINC000096109654 185099732 /nfs/dbraw/zinc/09/97/32/185099732.db2.gz CJEZLCACPQHMFL-GFCCVEGCSA-N 1 2 289.383 1.730 40 0 CDABLO CNC(=O)[C@@H]1C[N@H+](Cc2ccsc2)Cc2ccnn21 ZINC000247934410 362139908 /nfs/dbraw/zinc/13/99/08/362139908.db2.gz GQJVBPAQDKFTBR-LBPRGKRZSA-N 1 2 276.365 1.248 40 0 CDABLO CNC(=O)[C@@H]1C[N@@H+](Cc2ccsc2)Cc2ccnn21 ZINC000247934410 362139911 /nfs/dbraw/zinc/13/99/11/362139911.db2.gz GQJVBPAQDKFTBR-LBPRGKRZSA-N 1 2 276.365 1.248 40 0 CDABLO C[NH+]1CC2(C1)OCC[C@@H]2COc1ncccc1F ZINC000253612782 362442539 /nfs/dbraw/zinc/44/25/39/362442539.db2.gz IRCHXUKNRHMXLF-SNVBAGLBSA-N 1 2 252.289 1.320 40 0 CDABLO NC(=S)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000085389688 179047615 /nfs/dbraw/zinc/04/76/15/179047615.db2.gz BUSBPCXODAHHIX-UHFFFAOYSA-N 1 2 251.355 1.174 40 0 CDABLO O=C(NCC1CCC1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000048181371 357174182 /nfs/dbraw/zinc/17/41/82/357174182.db2.gz NIFCDQSIYJELHA-UHFFFAOYSA-N 1 2 256.309 1.797 40 0 CDABLO C[N@H+]1Cc2cc3c(c(Br)c2[C@@H](O)C1)OCO3 ZINC000095470372 283253119 /nfs/dbraw/zinc/25/31/19/283253119.db2.gz DCVYBVWTACNDFD-ZETCQYMHSA-N 1 2 286.125 1.657 40 0 CDABLO C[N@@H+]1Cc2cc3c(c(Br)c2[C@@H](O)C1)OCO3 ZINC000095470372 283253121 /nfs/dbraw/zinc/25/31/21/283253121.db2.gz DCVYBVWTACNDFD-ZETCQYMHSA-N 1 2 286.125 1.657 40 0 CDABLO COCC[N@@H+]1CCN(C(C)=O)C[C@H]1c1ccccc1OC ZINC000072366630 357830966 /nfs/dbraw/zinc/83/09/66/357830966.db2.gz CWGRDVVLXNBQMH-HNNXBMFYSA-N 1 2 292.379 1.547 40 0 CDABLO COCC[N@H+]1CCN(C(C)=O)C[C@H]1c1ccccc1OC ZINC000072366630 357830969 /nfs/dbraw/zinc/83/09/69/357830969.db2.gz CWGRDVVLXNBQMH-HNNXBMFYSA-N 1 2 292.379 1.547 40 0 CDABLO C[C@]1(c2n[nH]cc2C(N)=O)CCCN(c2cccc[nH+]2)C1 ZINC000072388703 357832122 /nfs/dbraw/zinc/83/21/22/357832122.db2.gz WAAJUPVTOCIQNB-HNNXBMFYSA-N 1 2 285.351 1.462 40 0 CDABLO CC(C)NC(=O)[C@@H](C)[NH+]1CCN(Cc2ccc[nH]2)CC1 ZINC000225413268 374325136 /nfs/dbraw/zinc/32/51/36/374325136.db2.gz VHPGKHTYVQOUKW-CYBMUJFWSA-N 1 2 278.400 1.045 40 0 CDABLO CC(C)NC(=O)[C@@H](C)N1CC[NH+](Cc2ccc[nH]2)CC1 ZINC000225413268 374325141 /nfs/dbraw/zinc/32/51/41/374325141.db2.gz VHPGKHTYVQOUKW-CYBMUJFWSA-N 1 2 278.400 1.045 40 0 CDABLO CCn1nc(C)c2ncnc(NCCCn3cc[nH+]c3)c21 ZINC000057312422 375413915 /nfs/dbraw/zinc/41/39/15/375413915.db2.gz VVXCCJQZPLIKOQ-UHFFFAOYSA-N 1 2 285.355 1.853 40 0 CDABLO CCn1cc(C[NH2+]Cc2ccn(CC(F)F)n2)c(C)n1 ZINC000256051036 190003854 /nfs/dbraw/zinc/00/38/54/190003854.db2.gz HLZIRWSQNZMYLT-UHFFFAOYSA-N 1 2 283.326 1.963 40 0 CDABLO Cc1nc(N2CCC[C@@H]2c2ncc(C(N)=O)s2)cc[nH+]1 ZINC000257201674 190010996 /nfs/dbraw/zinc/01/09/96/190010996.db2.gz AINGCOMIQMBISY-SECBINFHSA-N 1 2 289.364 1.682 40 0 CDABLO CNc1cc([C@@H]2CCCN2C(=O)c2ccn(C)n2)cc[nH+]1 ZINC000257284914 190026928 /nfs/dbraw/zinc/02/69/28/190026928.db2.gz PEVAWTPLOZRGTA-ZDUSSCGKSA-N 1 2 285.351 1.834 40 0 CDABLO CC(=O)NCC[C@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000257323776 190034157 /nfs/dbraw/zinc/03/41/57/190034157.db2.gz WLUJAEWSIZTNQT-GFCCVEGCSA-N 1 2 250.346 1.148 40 0 CDABLO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000257323776 190034158 /nfs/dbraw/zinc/03/41/58/190034158.db2.gz WLUJAEWSIZTNQT-GFCCVEGCSA-N 1 2 250.346 1.148 40 0 CDABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3cnc(C)nc3C)C2)[nH+]1 ZINC000257323516 190034411 /nfs/dbraw/zinc/03/44/11/190034411.db2.gz WKOMKZHVIWSTPB-GFCCVEGCSA-N 1 2 285.351 1.755 40 0 CDABLO CNc1cc([C@H]2CCC[N@@H+]2CC2(O)CCOCC2)ccn1 ZINC000257322792 190034489 /nfs/dbraw/zinc/03/44/89/190034489.db2.gz WHKMLJMIORTYOP-CQSZACIVSA-N 1 2 291.395 1.802 40 0 CDABLO CNc1cc([C@H]2CCC[N@H+]2CC2(O)CCOCC2)ccn1 ZINC000257322792 190034490 /nfs/dbraw/zinc/03/44/90/190034490.db2.gz WHKMLJMIORTYOP-CQSZACIVSA-N 1 2 291.395 1.802 40 0 CDABLO c1c[nH+]c(CN2CCO[C@@H](CCc3ccncn3)C2)[nH]1 ZINC000257328550 190034523 /nfs/dbraw/zinc/03/45/23/190034523.db2.gz XGDSSVOMQJYDIY-ZDUSSCGKSA-N 1 2 273.340 1.033 40 0 CDABLO CNC(=O)NCCSCc1csc(C[NH+](C)C)n1 ZINC000039400974 377511399 /nfs/dbraw/zinc/51/13/99/377511399.db2.gz SBKBNSHDHDTRKI-UHFFFAOYSA-N 1 2 288.442 1.367 40 0 in-vitro CDABLO COC[C@H]1Cn2cc[nH+]c2CN(C(=O)c2ccco2)C1 ZINC000096059082 390912321 /nfs/dbraw/zinc/91/23/21/390912321.db2.gz OJBIOTAVYQBBDN-NSHDSACASA-N 1 2 275.308 1.395 40 0 CDABLO COC[C@@H]1Cn2cc[nH+]c2CN(C(=O)c2cccs2)C1 ZINC000096059101 390912444 /nfs/dbraw/zinc/91/24/44/390912444.db2.gz BHEZOXAXWWEGAR-LLVKDONJSA-N 1 2 291.376 1.863 40 0 CDABLO CC(=O)N1CCC[C@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072355393 176375194 /nfs/dbraw/zinc/37/51/94/176375194.db2.gz SEBXFPCEBUYXJX-ZDUSSCGKSA-N 1 2 270.336 1.993 40 0 CDABLO CN(C)c1nccc([C@H]2CCCCN2Cc2[nH]cc[nH+]2)n1 ZINC000072386063 176391236 /nfs/dbraw/zinc/39/12/36/176391236.db2.gz CEOXCTHQFIGYAI-CYBMUJFWSA-N 1 2 286.383 1.993 40 0 CDABLO NC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+]1Cc1ccc(O)cc1 ZINC000072388624 176393605 /nfs/dbraw/zinc/39/36/05/176393605.db2.gz DORVFCNIAPCTKQ-ZDUSSCGKSA-N 1 2 286.335 1.551 40 0 CDABLO NC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+]1Cc1ccc(O)cc1 ZINC000072388624 176393606 /nfs/dbraw/zinc/39/36/06/176393606.db2.gz DORVFCNIAPCTKQ-ZDUSSCGKSA-N 1 2 286.335 1.551 40 0 CDABLO NC(=O)c1cn[nH]c1[C@@H]1CCC[N@@H+]1Cc1ccc(O)cc1 ZINC000072388624 176393607 /nfs/dbraw/zinc/39/36/07/176393607.db2.gz DORVFCNIAPCTKQ-ZDUSSCGKSA-N 1 2 286.335 1.551 40 0 CDABLO NC(=O)c1cn[nH]c1[C@@H]1CCC[N@H+]1Cc1ccc(O)cc1 ZINC000072388624 176393608 /nfs/dbraw/zinc/39/36/08/176393608.db2.gz DORVFCNIAPCTKQ-ZDUSSCGKSA-N 1 2 286.335 1.551 40 0 CDABLO COC[C@@H]1Cn2cc[nH+]c2CN(C(=O)c2ccncc2)C1 ZINC000096059091 277255583 /nfs/dbraw/zinc/25/55/83/277255583.db2.gz IOGIMONBUSKPNL-GFCCVEGCSA-N 1 2 286.335 1.197 40 0 CDABLO C[C@@]1(O)CC[N@H+](Cc2cc[nH]n2)C[C@H]1Oc1ccccc1 ZINC000257295491 289212766 /nfs/dbraw/zinc/21/27/66/289212766.db2.gz QYNGDCQYKXJUME-HZPDHXFCSA-N 1 2 287.363 1.814 40 0 CDABLO C[C@@]1(O)CC[N@@H+](Cc2cc[nH]n2)C[C@H]1Oc1ccccc1 ZINC000257295491 289212770 /nfs/dbraw/zinc/21/27/70/289212770.db2.gz QYNGDCQYKXJUME-HZPDHXFCSA-N 1 2 287.363 1.814 40 0 CDABLO [NH3+][C@@H](Cc1ccccc1)c1nnc([C@@H]2CCCO2)[nH]1 ZINC000095534904 185007969 /nfs/dbraw/zinc/00/79/69/185007969.db2.gz CSEGQTQTHWYHON-RYUDHWBXSA-N 1 2 258.325 1.899 40 0 CDABLO CCOC[C@@H]1CCn2c[nH+]cc2CN1Cc1cc(C)on1 ZINC000585097069 342211868 /nfs/dbraw/zinc/21/18/68/342211868.db2.gz HCWGCIFHMVQVKP-AWEZNQCLSA-N 1 2 290.367 1.991 40 0 CDABLO Cn1ccc(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000257304743 362583871 /nfs/dbraw/zinc/58/38/71/362583871.db2.gz SMZLJSMLMSXXOM-LBPRGKRZSA-N 1 2 285.351 1.214 40 0 CDABLO CN(C(=O)c1cnccn1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257300432 362584430 /nfs/dbraw/zinc/58/44/30/362584430.db2.gz RUFKNTWYKFIHSG-ZDUSSCGKSA-N 1 2 297.362 1.613 40 0 CDABLO CC(C)Cn1ncnc1C[NH2+][C@H](C)c1cnn(C)c1 ZINC000273429915 192147764 /nfs/dbraw/zinc/14/77/64/192147764.db2.gz XDANSEBMYAQBRI-LLVKDONJSA-N 1 2 262.361 1.518 40 0 CDABLO [NH3+]c1ccc(NCCC[NH+]2CCOCC2)c(C(=O)[O-])c1 ZINC000037930803 356578240 /nfs/dbraw/zinc/57/82/40/356578240.db2.gz SLFHCPSYJXOKCG-UHFFFAOYSA-N 1 2 279.340 1.101 40 0 CDABLO COc1ccc2c(c1)CC[N@H+]1[C@H]3CCC(=O)N3CC[C@H]21 ZINC000029589879 356739400 /nfs/dbraw/zinc/73/94/00/356739400.db2.gz IVDIDHIMBGGTNA-HUUCEWRRSA-N 1 2 272.348 1.947 40 0 CDABLO COc1ccc2c(c1)CC[N@@H+]1[C@H]3CCC(=O)N3CC[C@H]21 ZINC000029589879 356739403 /nfs/dbraw/zinc/73/94/03/356739403.db2.gz IVDIDHIMBGGTNA-HUUCEWRRSA-N 1 2 272.348 1.947 40 0 CDABLO C[C@@H]1c2[nH+]cc(Cn3cccn3)n2CCN1c1ncccn1 ZINC000096062050 358707156 /nfs/dbraw/zinc/70/71/56/358707156.db2.gz MEZACCIEUMKEPZ-GFCCVEGCSA-N 1 2 295.350 1.499 40 0 CDABLO CCOC(=O)c1ccc(NCC[NH+]2CCOCC2)c(N)c1 ZINC000041081880 358838711 /nfs/dbraw/zinc/83/87/11/358838711.db2.gz GWOKMTALMVDQNQ-UHFFFAOYSA-N 1 2 293.367 1.190 40 0 CDABLO COC(=O)C(C)(C)[NH+]1CCN(c2ccccc2)CC1 ZINC000022123122 359043174 /nfs/dbraw/zinc/04/31/74/359043174.db2.gz CADVQLPXZOEJCI-UHFFFAOYSA-N 1 2 262.353 1.760 40 0 CDABLO C[C@H](NC(=O)C[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000034070038 359379834 /nfs/dbraw/zinc/37/98/34/359379834.db2.gz YSPFGNHRGXHSCG-IHRRRGAJSA-N 1 2 276.380 1.973 40 0 CDABLO CCn1cc(C[NH2+]Cc2ccn(CCF)n2)cn1 ZINC000256055237 190005358 /nfs/dbraw/zinc/00/53/58/190005358.db2.gz ZVUIRFURMOUZCU-UHFFFAOYSA-N 1 2 251.309 1.359 40 0 CDABLO CS(=O)(=O)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257260820 190022155 /nfs/dbraw/zinc/02/21/55/190022155.db2.gz LENHCPQMTOHUDM-GFCCVEGCSA-N 1 2 277.349 1.400 40 0 CDABLO Cn1nccc1C(=O)N1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000257326641 190034849 /nfs/dbraw/zinc/03/48/49/190034849.db2.gz WYAKUKALUQHSGM-OAHLLOKOSA-N 1 2 284.363 1.549 40 0 CDABLO Cn1nccc1C(=O)N1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000257326641 190034850 /nfs/dbraw/zinc/03/48/50/190034850.db2.gz WYAKUKALUQHSGM-OAHLLOKOSA-N 1 2 284.363 1.549 40 0 CDABLO c1csc(C[N@H+]2CCOC[C@H](Cc3ccncn3)C2)n1 ZINC000257331814 190035356 /nfs/dbraw/zinc/03/53/56/190035356.db2.gz XUJPKXQSTALVDG-GFCCVEGCSA-N 1 2 290.392 1.624 40 0 CDABLO c1csc(C[N@@H+]2CCOC[C@H](Cc3ccncn3)C2)n1 ZINC000257331814 190035357 /nfs/dbraw/zinc/03/53/57/190035357.db2.gz XUJPKXQSTALVDG-GFCCVEGCSA-N 1 2 290.392 1.624 40 0 CDABLO CN1CC[N@H+](Cc2cnccn2)C[C@H]1c1ccccc1 ZINC000257333855 190035384 /nfs/dbraw/zinc/03/53/84/190035384.db2.gz YDJYFADTBPYTIG-INIZCTEOSA-N 1 2 268.364 1.965 40 0 CDABLO CN1CC[N@@H+](Cc2cnccn2)C[C@H]1c1ccccc1 ZINC000257333855 190035385 /nfs/dbraw/zinc/03/53/85/190035385.db2.gz YDJYFADTBPYTIG-INIZCTEOSA-N 1 2 268.364 1.965 40 0 CDABLO c1cncc(C[C@@H]2C[N@H+](Cc3cccnc3)CCO2)c1 ZINC000257336985 190036373 /nfs/dbraw/zinc/03/63/73/190036373.db2.gz YQXIOLDXYLAGAH-MRXNPFEDSA-N 1 2 269.348 1.920 40 0 CDABLO c1cncc(C[C@@H]2C[N@@H+](Cc3cccnc3)CCO2)c1 ZINC000257336985 190036374 /nfs/dbraw/zinc/03/63/74/190036374.db2.gz YQXIOLDXYLAGAH-MRXNPFEDSA-N 1 2 269.348 1.920 40 0 CDABLO Cc1cc([C@@H]2CCCN2C=O)c[nH+]c1N1CCOCC1 ZINC000072219327 390623060 /nfs/dbraw/zinc/62/30/60/390623060.db2.gz FRRVJANTVGMSQA-AWEZNQCLSA-N 1 2 275.352 1.520 40 0 CDABLO CC(=O)N1CCC[C@@H]1c1c[nH+]c(N2CCOCC2)c(C)c1 ZINC000072219334 390623241 /nfs/dbraw/zinc/62/32/41/390623241.db2.gz UISXEJWFLFFYEC-OAHLLOKOSA-N 1 2 289.379 1.910 40 0 CDABLO CC(=O)N1CCC(c2nccnc2-n2cc[nH+]c2)CC1 ZINC000072382198 390628234 /nfs/dbraw/zinc/62/82/34/390628234.db2.gz OGYRXOQAPPVYDD-UHFFFAOYSA-N 1 2 271.324 1.388 40 0 CDABLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCc2ccccc2O1 ZINC000333117921 391855813 /nfs/dbraw/zinc/85/58/13/391855813.db2.gz HSPJXJLXTDXVGZ-WBMJQRKESA-N 1 2 297.358 1.777 40 0 CDABLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCc2ccccc2O1 ZINC000333117921 391855816 /nfs/dbraw/zinc/85/58/16/391855816.db2.gz HSPJXJLXTDXVGZ-WBMJQRKESA-N 1 2 297.358 1.777 40 0 CDABLO Cc1nnc(SCC(N)=O)n1-c1ccc([NH+](C)C)cc1 ZINC000004922050 170041341 /nfs/dbraw/zinc/04/13/41/170041341.db2.gz XAKNFBBWASSJPR-UHFFFAOYSA-N 1 2 291.380 1.219 40 0 CDABLO C[N@H+](CCO)Cc1nnc2ccc3ccccc3n21 ZINC000005334551 170087013 /nfs/dbraw/zinc/08/70/13/170087013.db2.gz PXGDUNVOADHKQM-UHFFFAOYSA-N 1 2 256.309 1.307 40 0 CDABLO C[N@@H+](CCO)Cc1nnc2ccc3ccccc3n21 ZINC000005334551 170087014 /nfs/dbraw/zinc/08/70/14/170087014.db2.gz PXGDUNVOADHKQM-UHFFFAOYSA-N 1 2 256.309 1.307 40 0 CDABLO Cc1noc([C@H]2CCC[N@@H+](Cc3nccn3C)C2)n1 ZINC000072364304 176379695 /nfs/dbraw/zinc/37/96/95/176379695.db2.gz ULEQKYSHINFWIA-NSHDSACASA-N 1 2 261.329 1.491 40 0 CDABLO Cc1noc([C@H]2CCC[N@H+](Cc3nccn3C)C2)n1 ZINC000072364304 176379696 /nfs/dbraw/zinc/37/96/96/176379696.db2.gz ULEQKYSHINFWIA-NSHDSACASA-N 1 2 261.329 1.491 40 0 CDABLO Cc1c[nH+]c(N)c(C(=O)C2CCN(C(=O)C(F)F)CC2)c1 ZINC000072398529 176396814 /nfs/dbraw/zinc/39/68/14/176396814.db2.gz LTJUMNVGDONFSY-UHFFFAOYSA-N 1 2 297.305 1.659 40 0 CDABLO CC[N@@H+]1CCO[C@H]2CCN(C(=O)C3CC=CC3)C[C@@H]21 ZINC000108525154 279394962 /nfs/dbraw/zinc/39/49/62/279394962.db2.gz NMUBYOVGUDBVHP-KBPBESRZSA-N 1 2 264.369 1.274 40 0 CDABLO CC[N@H+]1CCO[C@H]2CCN(C(=O)C3CC=CC3)C[C@@H]21 ZINC000108525154 279394965 /nfs/dbraw/zinc/39/49/65/279394965.db2.gz NMUBYOVGUDBVHP-KBPBESRZSA-N 1 2 264.369 1.274 40 0 CDABLO COC[C@H]1CN(C(=O)[C@H]2CC=CCC2)Cc2[nH+]cn(C)c21 ZINC000096044799 185071443 /nfs/dbraw/zinc/07/14/43/185071443.db2.gz PGHWEOWLYBDVAY-QWHCGFSZSA-N 1 2 289.379 1.849 40 0 CDABLO COC[C@H]1CN(Cc2nccs2)Cc2[nH+]cn(C)c21 ZINC000096060185 185079798 /nfs/dbraw/zinc/07/97/98/185079798.db2.gz ZOSYGSGFRNCOAP-SNVBAGLBSA-N 1 2 278.381 1.622 40 0 CDABLO Cc1ccc(CN2Cc3[nH+]cn(C)c3C[C@@H]2CO)o1 ZINC000585094675 342211198 /nfs/dbraw/zinc/21/11/98/342211198.db2.gz GTXGBQMXXZPHIT-LLVKDONJSA-N 1 2 261.325 1.241 40 0 CDABLO Cc1cc(C(=O)N2Cc3[nH+]cn(C)c3C[C@H]2CO)c(C)o1 ZINC000585094940 342211291 /nfs/dbraw/zinc/21/12/91/342211291.db2.gz VLMBEKPACIPYHD-NSHDSACASA-N 1 2 289.335 1.189 40 0 CDABLO CCOC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)c1cocn1 ZINC000585095008 342211410 /nfs/dbraw/zinc/21/14/10/342211410.db2.gz ZKFKJUALZKJIJU-SNVBAGLBSA-N 1 2 290.323 1.012 40 0 CDABLO c1cn(C[C@H]2CC[C@@H]3[C@@H]2OCC[N@@H+]3Cc2ccccn2)cn1 ZINC000248078759 362148898 /nfs/dbraw/zinc/14/88/98/362148898.db2.gz HYCNUIXRCHWTES-DJIMGWMZSA-N 1 2 298.390 1.958 40 0 CDABLO c1cn(C[C@H]2CC[C@@H]3[C@@H]2OCC[N@H+]3Cc2ccccn2)cn1 ZINC000248078759 362148902 /nfs/dbraw/zinc/14/89/02/362148902.db2.gz HYCNUIXRCHWTES-DJIMGWMZSA-N 1 2 298.390 1.958 40 0 CDABLO Cc1nc2cc(C(=O)N3CC[NH+](C)CC3)ccc2n1C ZINC000004902768 356045508 /nfs/dbraw/zinc/04/55/08/356045508.db2.gz JBNGELRPNOTLSE-UHFFFAOYSA-N 1 2 272.352 1.269 40 0 CDABLO Cc1cc(C)n2ncc(C(=O)NCc3[nH+]ccn3C)c2n1 ZINC000019116579 356475798 /nfs/dbraw/zinc/47/57/98/356475798.db2.gz FRYADIDABVDYHG-UHFFFAOYSA-N 1 2 284.323 1.010 40 0 CDABLO C[C@H]1CCCN1C(=O)c1n[nH]c2c1C[N@H+](CC1CC1)CC2 ZINC000096187415 358714905 /nfs/dbraw/zinc/71/49/05/358714905.db2.gz KUYYWMWOXWKPEM-NSHDSACASA-N 1 2 288.395 1.802 40 0 CDABLO C[C@H]1CCCN1C(=O)c1n[nH]c2c1C[N@@H+](CC1CC1)CC2 ZINC000096187415 358714907 /nfs/dbraw/zinc/71/49/07/358714907.db2.gz KUYYWMWOXWKPEM-NSHDSACASA-N 1 2 288.395 1.802 40 0 CDABLO CC(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1ccccn1)CCO2 ZINC000096268738 358730389 /nfs/dbraw/zinc/73/03/89/358730389.db2.gz GFUHFTVHOIRBJE-INIZCTEOSA-N 1 2 289.379 1.295 40 0 CDABLO CC(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1ccccn1)CCO2 ZINC000096268738 358730393 /nfs/dbraw/zinc/73/03/93/358730393.db2.gz GFUHFTVHOIRBJE-INIZCTEOSA-N 1 2 289.379 1.295 40 0 CDABLO CC[C@H](C(=O)OC)[NH+]1CCN(c2ccccc2)CC1 ZINC000022123247 359043062 /nfs/dbraw/zinc/04/30/62/359043062.db2.gz CTKPVRYCLBYAGH-CQSZACIVSA-N 1 2 262.353 1.760 40 0 CDABLO Cc1ccc(NC(=S)NCCCn2cc[nH+]c2)nc1 ZINC000225522322 359596495 /nfs/dbraw/zinc/59/64/95/359596495.db2.gz LRCFEGLLWKNQBP-UHFFFAOYSA-N 1 2 275.381 1.963 40 0 CDABLO COC(=O)[C@H](F)CN1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000225468787 374468451 /nfs/dbraw/zinc/46/84/51/374468451.db2.gz VYQLEAVCOYXPCV-QWHCGFSZSA-N 1 2 295.358 1.271 40 0 CDABLO CCn1ccc(C[NH2+]Cc2cnn(C)c2C(F)(F)F)n1 ZINC000256054719 190005710 /nfs/dbraw/zinc/00/57/10/190005710.db2.gz XMGYXWDNWOYOIX-UHFFFAOYSA-N 1 2 287.289 1.945 40 0 CDABLO c1ccc(C[N@@H+]2CCO[C@H](Cc3cccnc3)C2)nc1 ZINC000257215508 190013539 /nfs/dbraw/zinc/01/35/39/190013539.db2.gz CQLMFZBKXQXGQO-MRXNPFEDSA-N 1 2 269.348 1.920 40 0 CDABLO c1ccc(C[N@H+]2CCO[C@H](Cc3cccnc3)C2)nc1 ZINC000257215508 190013540 /nfs/dbraw/zinc/01/35/40/190013540.db2.gz CQLMFZBKXQXGQO-MRXNPFEDSA-N 1 2 269.348 1.920 40 0 CDABLO CNc1cc([C@@H]2CCCN2S(=O)(=O)N(C)C)cc[nH+]1 ZINC000257244068 190019538 /nfs/dbraw/zinc/01/95/38/190019538.db2.gz IJSIYCHIEWDIAK-NSHDSACASA-N 1 2 284.385 1.067 40 0 CDABLO Cc1c[nH]c([C@H]2CCN(C(=O)Cn3cc(Cl)cn3)C2)[nH+]1 ZINC000257275251 190024471 /nfs/dbraw/zinc/02/44/71/190024471.db2.gz NOOCTPCEZSBIOX-JTQLQIEISA-N 1 2 293.758 1.584 40 0 CDABLO Cc1cnn(CC(=O)N2CC[C@@H](c3[nH]cc(C)[nH+]3)C2)c1 ZINC000257293920 190028847 /nfs/dbraw/zinc/02/88/47/190028847.db2.gz QRSFMCKUJHORTE-GFCCVEGCSA-N 1 2 273.340 1.239 40 0 CDABLO [NH3+]Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000247710049 390902384 /nfs/dbraw/zinc/90/23/84/390902384.db2.gz ILKASLNFEHWWFC-UHFFFAOYSA-N 1 2 287.728 1.156 40 0 CDABLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2)o1 ZINC000040460645 174269944 /nfs/dbraw/zinc/26/99/44/174269944.db2.gz SWPBVDANNYNJJV-LBPRGKRZSA-N 1 2 286.335 1.576 40 0 CDABLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccccc2)o1 ZINC000040460645 174269945 /nfs/dbraw/zinc/26/99/45/174269945.db2.gz SWPBVDANNYNJJV-LBPRGKRZSA-N 1 2 286.335 1.576 40 0 CDABLO CC(=O)Nc1nc(C2CN(Cc3[nH+]ccn3C)C2)cs1 ZINC000072368074 176383277 /nfs/dbraw/zinc/38/32/77/176383277.db2.gz YXPSIKUMOFFRPD-UHFFFAOYSA-N 1 2 291.380 1.434 40 0 CDABLO CNc1cc([C@H]2C[N@@H+](C3CCOCC3)CCO2)nc(C)n1 ZINC000072387732 176392579 /nfs/dbraw/zinc/39/25/79/176392579.db2.gz ASZRCCMEVSUPDW-CQSZACIVSA-N 1 2 292.383 1.379 40 0 CDABLO CNc1cc([C@H]2C[N@H+](C3CCOCC3)CCO2)nc(C)n1 ZINC000072387732 176392580 /nfs/dbraw/zinc/39/25/80/176392580.db2.gz ASZRCCMEVSUPDW-CQSZACIVSA-N 1 2 292.383 1.379 40 0 CDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cccc(=O)[nH]2)[nH+]1 ZINC000257228828 301024589 /nfs/dbraw/zinc/02/45/89/301024589.db2.gz FVKVTWBLUCVDQS-NSHDSACASA-N 1 2 288.307 1.032 40 0 CDABLO [NH3+][C@@H](c1nnc(Cn2cccn2)[nH]1)c1ccccc1 ZINC000095533429 185006756 /nfs/dbraw/zinc/00/67/56/185006756.db2.gz BKYFGSXQPHXWQX-GFCCVEGCSA-N 1 2 254.297 1.098 40 0 CDABLO [NH3+][C@@H](c1nc([C@H]2CCCO2)n[nH]1)c1ccc(F)cc1 ZINC000095533331 185006976 /nfs/dbraw/zinc/00/69/76/185006976.db2.gz APYLDUCPNTXDOW-GHMZBOCLSA-N 1 2 262.288 1.843 40 0 CDABLO CC(C)(C)OC(=O)[C@H]([NH3+])[C@@H]1c2cc(F)ccc2NC1=O ZINC000095917968 185030646 /nfs/dbraw/zinc/03/06/46/185030646.db2.gz TXWOFGOVXMDJJU-WDEREUQCSA-N 1 2 280.299 1.530 40 0 CDABLO COC[C@@H]1C[N@H+](Cc2ccc(C)o2)Cc2nnn(C)c21 ZINC000096060604 185079891 /nfs/dbraw/zinc/07/98/91/185079891.db2.gz IEXHXZTZOADLKX-NSHDSACASA-N 1 2 276.340 1.462 40 0 CDABLO COC[C@@H]1C[N@@H+](Cc2ccc(C)o2)Cc2nnn(C)c21 ZINC000096060604 185079893 /nfs/dbraw/zinc/07/98/93/185079893.db2.gz IEXHXZTZOADLKX-NSHDSACASA-N 1 2 276.340 1.462 40 0 CDABLO CCn1nnc2c1[C@H](COC)C[N@H+](Cc1ccncc1)C2 ZINC000096060845 185082914 /nfs/dbraw/zinc/08/29/14/185082914.db2.gz PICSATTYNWRVAR-ZDUSSCGKSA-N 1 2 287.367 1.439 40 0 CDABLO CCn1nnc2c1[C@H](COC)C[N@@H+](Cc1ccncc1)C2 ZINC000096060845 185082915 /nfs/dbraw/zinc/08/29/15/185082915.db2.gz PICSATTYNWRVAR-ZDUSSCGKSA-N 1 2 287.367 1.439 40 0 CDABLO O=C1NCC[C@]12C[N@@H+](Cc1cccnc1)CC(F)(F)C2 ZINC000585093276 342210960 /nfs/dbraw/zinc/21/09/60/342210960.db2.gz NAOLEPVXHDNTIY-ZDUSSCGKSA-N 1 2 281.306 1.429 40 0 CDABLO O=C1NCC[C@]12C[N@H+](Cc1cccnc1)CC(F)(F)C2 ZINC000585093276 342210961 /nfs/dbraw/zinc/21/09/61/342210961.db2.gz NAOLEPVXHDNTIY-ZDUSSCGKSA-N 1 2 281.306 1.429 40 0 CDABLO Cc1ccc(OC[C@@]2(O)CC[N@H+](Cc3ncc[nH]3)C2)cc1 ZINC000585275103 342255916 /nfs/dbraw/zinc/25/59/16/342255916.db2.gz WRILEOGVSUHSCY-MRXNPFEDSA-N 1 2 287.363 1.734 40 0 CDABLO Cc1ccc(OC[C@@]2(O)CC[N@@H+](Cc3ncc[nH]3)C2)cc1 ZINC000585275103 342255917 /nfs/dbraw/zinc/25/59/17/342255917.db2.gz WRILEOGVSUHSCY-MRXNPFEDSA-N 1 2 287.363 1.734 40 0 CDABLO Cn1cc(-c2c[nH+]c3n2[C@H](CNc2ncccn2)CC3)cn1 ZINC000306130074 201841980 /nfs/dbraw/zinc/84/19/80/201841980.db2.gz IVUHSTTXKRLABX-LBPRGKRZSA-N 1 2 295.350 1.673 40 0 CDABLO Cn1c[nH+]cc1CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000328682541 202012247 /nfs/dbraw/zinc/01/22/47/202012247.db2.gz VQXZDYWHWKWIRG-UHFFFAOYSA-N 1 2 286.261 1.046 40 0 CDABLO C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CC[NH+](C)CC1 ZINC000050079907 357228114 /nfs/dbraw/zinc/22/81/14/357228114.db2.gz FUAZIGOLYVLWJJ-NSHDSACASA-N 1 2 282.771 1.881 40 0 CDABLO CN(C)C(=O)c1[nH]nc2c1C[N@H+](Cc1ccco1)CC2 ZINC000096187373 358715220 /nfs/dbraw/zinc/71/52/20/358715220.db2.gz SCZXITNIWOMXSK-UHFFFAOYSA-N 1 2 274.324 1.263 40 0 CDABLO CN(C)C(=O)c1[nH]nc2c1C[N@@H+](Cc1ccco1)CC2 ZINC000096187373 358715225 /nfs/dbraw/zinc/71/52/25/358715225.db2.gz SCZXITNIWOMXSK-UHFFFAOYSA-N 1 2 274.324 1.263 40 0 CDABLO Cc1nc(C[N@H+]2CC[C@H]3[C@@H]2CC(=O)N3C)cs1 ZINC000096246013 358725804 /nfs/dbraw/zinc/72/58/04/358725804.db2.gz MVFCLHUYVCCOFD-QWRGUYRKSA-N 1 2 251.355 1.257 40 0 CDABLO Cc1nc(C[N@@H+]2CC[C@H]3[C@@H]2CC(=O)N3C)cs1 ZINC000096246013 358725806 /nfs/dbraw/zinc/72/58/06/358725806.db2.gz MVFCLHUYVCCOFD-QWRGUYRKSA-N 1 2 251.355 1.257 40 0 CDABLO CC[C@@H](C(=O)OC)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000022123259 359043598 /nfs/dbraw/zinc/04/35/98/359043598.db2.gz GLPBZZMNESMMOM-AWEZNQCLSA-N 1 2 280.343 1.899 40 0 CDABLO CCN(CC)C(=O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000057467017 359099640 /nfs/dbraw/zinc/09/96/40/359099640.db2.gz PAGQZCSMMXXFNV-UHFFFAOYSA-N 1 2 293.386 1.816 40 0 CDABLO OCCC1(CNc2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000225488116 374495760 /nfs/dbraw/zinc/49/57/60/374495760.db2.gz YUQVPTYHNPYMHQ-UHFFFAOYSA-N 1 2 294.424 1.604 40 0 CDABLO OCCC1(CNc2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000225488116 374495765 /nfs/dbraw/zinc/49/57/65/374495765.db2.gz YUQVPTYHNPYMHQ-UHFFFAOYSA-N 1 2 294.424 1.604 40 0 CDABLO CCn1ccc(C[NH2+]Cc2ccnn2CCF)n1 ZINC000256054219 190004683 /nfs/dbraw/zinc/00/46/83/190004683.db2.gz VMLUXXMRKLNXRE-UHFFFAOYSA-N 1 2 251.309 1.359 40 0 CDABLO O=C(CCCn1cc[nH+]c1)N1CCC[C@H]1c1cnccn1 ZINC000257206053 190011638 /nfs/dbraw/zinc/01/16/38/190011638.db2.gz BBPWOZFIPRGXQC-AWEZNQCLSA-N 1 2 285.351 1.817 40 0 CDABLO Cc1cc(N2CC[C@H](c3ccnc4nccn43)C2)nc[nH+]1 ZINC000257245527 190018990 /nfs/dbraw/zinc/01/89/90/190018990.db2.gz IPXYIECGYFJSJO-LBPRGKRZSA-N 1 2 280.335 1.822 40 0 CDABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)C3CCOCC3)C2)[nH+]1 ZINC000257272994 190024557 /nfs/dbraw/zinc/02/45/57/190024557.db2.gz NEVKAMQUQYZBEO-CYBMUJFWSA-N 1 2 277.368 1.851 40 0 CDABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3cnn4cccnc34)C2)[nH+]1 ZINC000257275068 190024869 /nfs/dbraw/zinc/02/48/69/190024869.db2.gz NNTUOYSMIFCDBI-NSHDSACASA-N 1 2 296.334 1.391 40 0 CDABLO CC(=O)N1CC[N@@H+](Cc2ccn(C)n2)C[C@H]1c1ccccc1 ZINC000257291987 190028098 /nfs/dbraw/zinc/02/80/98/190028098.db2.gz QJMUDGMBNDIIHD-KRWDZBQOSA-N 1 2 298.390 1.826 40 0 CDABLO CC(=O)N1CC[N@H+](Cc2ccn(C)n2)C[C@H]1c1ccccc1 ZINC000257291987 190028099 /nfs/dbraw/zinc/02/80/99/190028099.db2.gz QJMUDGMBNDIIHD-KRWDZBQOSA-N 1 2 298.390 1.826 40 0 CDABLO CNc1cncc([C@@H]2CCC[N@@H+]2Cc2[nH]cnc2C)n1 ZINC000257295939 190028397 /nfs/dbraw/zinc/02/83/97/190028397.db2.gz RANDVNGFRCBUFR-ZDUSSCGKSA-N 1 2 272.356 1.887 40 0 CDABLO CNc1cncc([C@@H]2CCC[N@H+]2Cc2[nH]cnc2C)n1 ZINC000257295939 190028398 /nfs/dbraw/zinc/02/83/98/190028398.db2.gz RANDVNGFRCBUFR-ZDUSSCGKSA-N 1 2 272.356 1.887 40 0 CDABLO C(=C/[C@H]1OC[C@H](C[NH+]2CCOCC2)O1)\c1ccccc1 ZINC000035183192 172036975 /nfs/dbraw/zinc/03/69/75/172036975.db2.gz PBBQTZURHFLBNT-MIVXPEEVSA-N 1 2 275.348 1.774 40 0 CDABLO CNc1cc(C[C@H]2CCN(c3cc(C)[nH+]cn3)C2)ncn1 ZINC000072366684 176381612 /nfs/dbraw/zinc/38/16/12/176381612.db2.gz LOLVXOJVGCBQNV-GFCCVEGCSA-N 1 2 284.367 1.686 40 0 CDABLO Cc1nc(NC(=O)[C@]2(C)C[N@H+](C)CCO2)sc1C ZINC000072379368 176386438 /nfs/dbraw/zinc/38/64/38/176386438.db2.gz WKQUSVSFTRVNCW-LBPRGKRZSA-N 1 2 269.370 1.419 40 0 CDABLO Cc1nc(NC(=O)[C@]2(C)C[N@@H+](C)CCO2)sc1C ZINC000072379368 176386440 /nfs/dbraw/zinc/38/64/40/176386440.db2.gz WKQUSVSFTRVNCW-LBPRGKRZSA-N 1 2 269.370 1.419 40 0 CDABLO CC(=O)N1CCC(C(=O)c2cc(C)c[nH+]c2N)CC1 ZINC000072398527 176396923 /nfs/dbraw/zinc/39/69/23/176396923.db2.gz KSJYTIMNOBCIPC-UHFFFAOYSA-N 1 2 261.325 1.413 40 0 CDABLO CC(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1ccsc1)CCO2 ZINC000096049101 185072917 /nfs/dbraw/zinc/07/29/17/185072917.db2.gz SVWIMXWJGPOUEA-HNNXBMFYSA-N 1 2 294.420 1.961 40 0 CDABLO CC(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1ccsc1)CCO2 ZINC000096049101 185072918 /nfs/dbraw/zinc/07/29/18/185072918.db2.gz SVWIMXWJGPOUEA-HNNXBMFYSA-N 1 2 294.420 1.961 40 0 CDABLO CO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1c(C)noc1C ZINC000096057761 185078087 /nfs/dbraw/zinc/07/80/87/185078087.db2.gz PGNQHMQTIXNFCL-BFHYXJOUSA-N 1 2 266.341 1.670 40 0 CDABLO CO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1c(C)noc1C ZINC000096057761 185078088 /nfs/dbraw/zinc/07/80/88/185078088.db2.gz PGNQHMQTIXNFCL-BFHYXJOUSA-N 1 2 266.341 1.670 40 0 CDABLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCn1cccc1)C2 ZINC000164242813 361997319 /nfs/dbraw/zinc/99/73/19/361997319.db2.gz XEGRSBBQMVUDNC-LBPRGKRZSA-N 1 2 272.352 1.441 40 0 CDABLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCn1cccc1)CC2 ZINC000164242813 361997322 /nfs/dbraw/zinc/99/73/22/361997322.db2.gz XEGRSBBQMVUDNC-LBPRGKRZSA-N 1 2 272.352 1.441 40 0 CDABLO COC[C@H]1CCOC12C[NH+](Cc1ccc3c(c1)OCO3)C2 ZINC000247905400 362138087 /nfs/dbraw/zinc/13/80/87/362138087.db2.gz WZNTZVBTBBODIL-CYBMUJFWSA-N 1 2 291.347 1.653 40 0 CDABLO c1coc(C[N@H+]2CCO[C@@H]3[C@H](Cn4cnnc4)CC[C@@H]32)c1 ZINC000247899517 362138646 /nfs/dbraw/zinc/13/86/46/362138646.db2.gz IBYCUDIKUZWKGW-AEGPPILISA-N 1 2 288.351 1.551 40 0 CDABLO c1coc(C[N@@H+]2CCO[C@@H]3[C@H](Cn4cnnc4)CC[C@@H]32)c1 ZINC000247899517 362138650 /nfs/dbraw/zinc/13/86/50/362138650.db2.gz IBYCUDIKUZWKGW-AEGPPILISA-N 1 2 288.351 1.551 40 0 CDABLO CN(C)c1ncc(C[N@@H+]2CCC[C@@H]2c2cnccn2)cn1 ZINC000257221860 282319099 /nfs/dbraw/zinc/31/90/99/282319099.db2.gz DQVKCGIKVUATID-CQSZACIVSA-N 1 2 284.367 1.670 40 0 CDABLO CN(C)c1ncc(C[N@H+]2CCC[C@@H]2c2cnccn2)cn1 ZINC000257221860 282319103 /nfs/dbraw/zinc/31/91/03/282319103.db2.gz DQVKCGIKVUATID-CQSZACIVSA-N 1 2 284.367 1.670 40 0 CDABLO CN(C)c1ncc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cn1 ZINC000257269375 362582941 /nfs/dbraw/zinc/58/29/41/362582941.db2.gz MPRYNXVSJKYGCU-AWEZNQCLSA-N 1 2 286.383 1.993 40 0 CDABLO CN(C)c1ncc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)cn1 ZINC000257269375 362582943 /nfs/dbraw/zinc/58/29/43/362582943.db2.gz MPRYNXVSJKYGCU-AWEZNQCLSA-N 1 2 286.383 1.993 40 0 CDABLO O[C@H]1CC[N@H+](Cc2cscn2)C[C@@]12CCCO2 ZINC000257288919 362583910 /nfs/dbraw/zinc/58/39/10/362583910.db2.gz PWFSUTGRHPMYPO-RYUDHWBXSA-N 1 2 254.355 1.259 40 0 CDABLO O[C@H]1CC[N@@H+](Cc2cscn2)C[C@@]12CCCO2 ZINC000257288919 362583917 /nfs/dbraw/zinc/58/39/17/362583917.db2.gz PWFSUTGRHPMYPO-RYUDHWBXSA-N 1 2 254.355 1.259 40 0 CDABLO CN(C)C(=O)N[C@@H]1CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000584701387 346407293 /nfs/dbraw/zinc/40/72/93/346407293.db2.gz KWBYHHAFVNEMQM-GFCCVEGCSA-N 1 2 299.378 1.870 40 0 CDABLO CC(C)Cn1ncnc1C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000273429919 192147770 /nfs/dbraw/zinc/14/77/70/192147770.db2.gz XDANSEBMYAQBRI-NSHDSACASA-N 1 2 262.361 1.518 40 0 CDABLO Cc1c[nH+]c2n1CCN(C)C21CCN(C(=O)C(C)C)CC1 ZINC000105122623 186042984 /nfs/dbraw/zinc/04/29/84/186042984.db2.gz QMOVURNNXLJVQQ-UHFFFAOYSA-N 1 2 290.411 1.611 40 0 CDABLO S=C(NCC[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000408578390 355999600 /nfs/dbraw/zinc/99/96/00/355999600.db2.gz XXNVOFSPRUQUED-UHFFFAOYSA-N 1 2 284.812 1.937 40 0 CDABLO COc1ccc(Nc2cc(N)[nH+]c(N)n2)c(=S)[nH]1 ZINC000001733443 355950480 /nfs/dbraw/zinc/95/04/80/355950480.db2.gz VKBYTEPGLCNQQT-UHFFFAOYSA-N 1 2 264.314 1.077 40 0 CDABLO O=C(NCCCCn1cc[nH+]c1)c1noc2c1CCCC2 ZINC000012143644 356288797 /nfs/dbraw/zinc/28/87/97/356288797.db2.gz CULAEVKZCKBMLF-UHFFFAOYSA-N 1 2 288.351 1.960 40 0 CDABLO CCOC(=O)[C@H]1SC(=S)N(c2ccccc2)[C@@H]1[NH3+] ZINC000031749711 356769006 /nfs/dbraw/zinc/76/90/06/356769006.db2.gz RPPXQDPTSJOUGN-UWVGGRQHSA-N 1 2 282.390 1.741 40 0 CDABLO Cc1ccnc([C@H]2COCCN2c2cc(C)[nH+]cn2)n1 ZINC000072385576 357832166 /nfs/dbraw/zinc/83/21/66/357832166.db2.gz MMFLCWGZWWQNBB-GFCCVEGCSA-N 1 2 271.324 1.461 40 0 CDABLO c1cn2c(n1)C[N@@H+]([C@@H]1CCOC1)C[C@@H](COCC1CC1)C2 ZINC000096187923 358715001 /nfs/dbraw/zinc/71/50/01/358715001.db2.gz BOHNUBLZQFYJKU-LSDHHAIUSA-N 1 2 291.395 1.530 40 0 CDABLO c1cn2c(n1)C[N@H+]([C@@H]1CCOC1)C[C@@H](COCC1CC1)C2 ZINC000096187923 358715003 /nfs/dbraw/zinc/71/50/03/358715003.db2.gz BOHNUBLZQFYJKU-LSDHHAIUSA-N 1 2 291.395 1.530 40 0 CDABLO CCOC[C@H]1Cn2nccc2C[N@H+](Cc2nccn2C)C1 ZINC000096188923 358715555 /nfs/dbraw/zinc/71/55/55/358715555.db2.gz MRNSQZJYVWCERX-CYBMUJFWSA-N 1 2 289.383 1.285 40 0 CDABLO CCOC[C@H]1Cn2nccc2C[N@@H+](Cc2nccn2C)C1 ZINC000096188923 358715557 /nfs/dbraw/zinc/71/55/57/358715557.db2.gz MRNSQZJYVWCERX-CYBMUJFWSA-N 1 2 289.383 1.285 40 0 CDABLO Cc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3C(C)C)o1 ZINC000096248680 358726691 /nfs/dbraw/zinc/72/66/91/358726691.db2.gz PBFVMAWXUBKRCL-CABCVRRESA-N 1 2 264.369 1.881 40 0 CDABLO Cc1ccc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3C(C)C)o1 ZINC000096248680 358726693 /nfs/dbraw/zinc/72/66/93/358726693.db2.gz PBFVMAWXUBKRCL-CABCVRRESA-N 1 2 264.369 1.881 40 0 CDABLO O=C([O-])c1ccc2[nH]c(CCC[NH+]3CCOCC3)[nH+]c2c1 ZINC000225296060 359573785 /nfs/dbraw/zinc/57/37/85/359573785.db2.gz JNMNMAMRWVAZRR-UHFFFAOYSA-N 1 2 289.335 1.526 40 0 CDABLO CCCn1nnnc1C[N@H+](C)[C@@H]1CCC[C@@H]1SC ZINC000076146424 367004201 /nfs/dbraw/zinc/00/42/01/367004201.db2.gz CASRBMQTADGPMM-MNOVXSKESA-N 1 2 269.418 1.799 40 0 CDABLO CCCn1nnnc1C[N@@H+](C)[C@@H]1CCC[C@@H]1SC ZINC000076146424 367004205 /nfs/dbraw/zinc/00/42/05/367004205.db2.gz CASRBMQTADGPMM-MNOVXSKESA-N 1 2 269.418 1.799 40 0 CDABLO COc1c(N)[nH+]cnc1N1CC[C@@H](C2CCOCC2)C1 ZINC000582371011 370553009 /nfs/dbraw/zinc/55/30/09/370553009.db2.gz IOTNCQKPCZDQEL-LLVKDONJSA-N 1 2 278.356 1.320 40 0 CDABLO COc1c(N)nc[nH+]c1N1CC[C@@H](C2CCOCC2)C1 ZINC000582371011 370553014 /nfs/dbraw/zinc/55/30/14/370553014.db2.gz IOTNCQKPCZDQEL-LLVKDONJSA-N 1 2 278.356 1.320 40 0 CDABLO COc1cc2[nH+]cc3c([nH]n(C)c3=O)c2cc1OC ZINC000064873616 374241022 /nfs/dbraw/zinc/24/10/22/374241022.db2.gz CDAJDKCTGBZVMW-UHFFFAOYSA-N 1 2 259.265 1.432 40 0 CDABLO O[C@@H]1C[N@H+](Cc2cc[nH]n2)C[C@H]1Oc1ccccc1 ZINC000257219636 190013766 /nfs/dbraw/zinc/01/37/66/190013766.db2.gz DHNADMLIVOZBND-ZIAGYGMSSA-N 1 2 259.309 1.034 40 0 CDABLO O[C@@H]1C[N@@H+](Cc2cc[nH]n2)C[C@H]1Oc1ccccc1 ZINC000257219636 190013767 /nfs/dbraw/zinc/01/37/67/190013767.db2.gz DHNADMLIVOZBND-ZIAGYGMSSA-N 1 2 259.309 1.034 40 0 CDABLO Cc1cn[nH]c1[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000257238623 190018173 /nfs/dbraw/zinc/01/81/73/190018173.db2.gz HLVPVYOHWJOYMK-GFCCVEGCSA-N 1 2 273.340 1.239 40 0 CDABLO O=C(CCn1cc[nH+]c1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000257244369 190019193 /nfs/dbraw/zinc/01/91/93/190019193.db2.gz IKZMVUBYJKOGOS-LBPRGKRZSA-N 1 2 273.340 1.403 40 0 CDABLO CCCS(=O)(=O)N1CCC[C@H](c2[nH+]c(C)cn2C)C1 ZINC000257259431 190021568 /nfs/dbraw/zinc/02/15/68/190021568.db2.gz KYHUMVHKZXBDEM-LBPRGKRZSA-N 1 2 285.413 1.648 40 0 CDABLO NC(=O)C[N@@H+]1CCC[C@@H]1c1ccnc(Nc2ncccn2)c1 ZINC000257276150 190024784 /nfs/dbraw/zinc/02/47/84/190024784.db2.gz NSNMHQQGRGVLLR-GFCCVEGCSA-N 1 2 298.350 1.237 40 0 CDABLO NC(=O)C[N@H+]1CCC[C@@H]1c1ccnc(Nc2ncccn2)c1 ZINC000257276150 190024785 /nfs/dbraw/zinc/02/47/85/190024785.db2.gz NSNMHQQGRGVLLR-GFCCVEGCSA-N 1 2 298.350 1.237 40 0 CDABLO COc1ncc(C[N@@H+]2CC[C@@H](c3nc(C)c[nH]3)C2)cn1 ZINC000257323809 190034087 /nfs/dbraw/zinc/03/40/87/190034087.db2.gz WLXGBBLHWJBQNB-GFCCVEGCSA-N 1 2 273.340 1.506 40 0 CDABLO COc1ncc(C[N@H+]2CC[C@@H](c3nc(C)c[nH]3)C2)cn1 ZINC000257323809 190034088 /nfs/dbraw/zinc/03/40/88/190034088.db2.gz WLXGBBLHWJBQNB-GFCCVEGCSA-N 1 2 273.340 1.506 40 0 CDABLO C[C@@H]1CCc2n[nH]c(C(=O)N[C@H]3C[NH+]4CCC3CC4)c2C1 ZINC000012146882 390202155 /nfs/dbraw/zinc/20/21/55/390202155.db2.gz IPZMEBHLTDWGEL-YGRLFVJLSA-N 1 2 288.395 1.359 40 0 CDABLO CN(C)C(=O)[C@H]1C[N@H+](Cc2ccoc2)Cc2ncn(C)c21 ZINC000247960784 391424026 /nfs/dbraw/zinc/42/40/26/391424026.db2.gz FHTUPVXWFYTCHL-LBPRGKRZSA-N 1 2 288.351 1.201 40 0 CDABLO CN(C)C(=O)[C@H]1C[N@@H+](Cc2ccoc2)Cc2ncn(C)c21 ZINC000247960784 391424032 /nfs/dbraw/zinc/42/40/32/391424032.db2.gz FHTUPVXWFYTCHL-LBPRGKRZSA-N 1 2 288.351 1.201 40 0 CDABLO Cc1cc(F)c(F)c(C(=O)N2CC[NH+](C)CC2)c1 ZINC000022063094 171351787 /nfs/dbraw/zinc/35/17/87/171351787.db2.gz WKQXNGHNZXLPNF-UHFFFAOYSA-N 1 2 254.280 1.661 40 0 CDABLO CC[NH+](CC)Cc1nnc2sc(-c3cc(C)[nH]n3)nn12 ZINC000071260580 176096267 /nfs/dbraw/zinc/09/62/67/176096267.db2.gz QRODOGUQDAEVIP-UHFFFAOYSA-N 1 2 291.384 1.726 40 0 CDABLO CCN(CCO)c1[nH+]cnc2c1cnn2-c1ccccc1C ZINC000072238775 176347278 /nfs/dbraw/zinc/34/72/78/176347278.db2.gz OSMYJUDBZFTXKM-UHFFFAOYSA-N 1 2 297.362 1.943 40 0 CDABLO CN(C)C(=O)[C@]1(C)C[N@H+](Cc2ccc(F)c(F)c2)CCO1 ZINC000072379688 176386731 /nfs/dbraw/zinc/38/67/31/176386731.db2.gz XNMJMNQSASQULU-HNNXBMFYSA-N 1 2 298.333 1.644 40 0 CDABLO CN(C)C(=O)[C@]1(C)C[N@@H+](Cc2ccc(F)c(F)c2)CCO1 ZINC000072379688 176386732 /nfs/dbraw/zinc/38/67/32/176386732.db2.gz XNMJMNQSASQULU-HNNXBMFYSA-N 1 2 298.333 1.644 40 0 CDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)C2CCOCC2)[nH+]1 ZINC000257326936 301024900 /nfs/dbraw/zinc/02/49/00/301024900.db2.gz WZDXMQMPULBPOO-GFCCVEGCSA-N 1 2 279.340 1.045 40 0 CDABLO Cc1cccc(N2C(=[NH2+])S[C@H]3CS(=O)(=O)C[C@H]32)c1C ZINC000026505270 301997217 /nfs/dbraw/zinc/99/72/17/301997217.db2.gz JEJGQAOQDYDXOB-NEPJUHHUSA-N 1 2 296.417 1.957 40 0 CDABLO CN1CC[C@@]2(C[N@H+](Cc3cn[nH]c3)CC(F)(F)C2)C1=O ZINC000585093079 342210895 /nfs/dbraw/zinc/21/08/95/342210895.db2.gz AMRSZALDDCQZQK-GFCCVEGCSA-N 1 2 284.310 1.099 40 0 CDABLO CN1CC[C@@]2(C[N@@H+](Cc3cn[nH]c3)CC(F)(F)C2)C1=O ZINC000585093079 342210896 /nfs/dbraw/zinc/21/08/96/342210896.db2.gz AMRSZALDDCQZQK-GFCCVEGCSA-N 1 2 284.310 1.099 40 0 CDABLO Cn1c[nH+]c2c1C[C@H](CO)N(Cc1ccc(F)c(F)c1)C2 ZINC000585094629 342211268 /nfs/dbraw/zinc/21/12/68/342211268.db2.gz GBCOMJHRCWRXKF-LLVKDONJSA-N 1 2 293.317 1.618 40 0 CDABLO Cn1c[nH+]c2c1[C@@H](CO)N(C(=O)OC(C)(C)C)CC2 ZINC000091303717 180130732 /nfs/dbraw/zinc/13/07/32/180130732.db2.gz QZLJZHIAPTURIW-SNVBAGLBSA-N 1 2 267.329 1.247 40 0 CDABLO CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccncc3F)C[C@@H]21 ZINC000108528389 186220792 /nfs/dbraw/zinc/22/07/92/186220792.db2.gz LILRUORRWXJPMS-KBPBESRZSA-N 1 2 293.342 1.156 40 0 CDABLO CC[N@H+]1CCO[C@H]2CCN(C(=O)c3ccncc3F)C[C@@H]21 ZINC000108528389 186220793 /nfs/dbraw/zinc/22/07/93/186220793.db2.gz LILRUORRWXJPMS-KBPBESRZSA-N 1 2 293.342 1.156 40 0 CDABLO C[C@@H]1CCC[C@@H](OCC(=O)NCc2[nH+]ccn2C)C1 ZINC000079034463 363360738 /nfs/dbraw/zinc/36/07/38/363360738.db2.gz KCNPVBIVJRIWMU-VXGBXAGGSA-N 1 2 265.357 1.632 40 0 CDABLO COc1ccc(C(=S)NCC[NH+]2CCOCC2)cc1 ZINC000408578407 355999559 /nfs/dbraw/zinc/99/95/59/355999559.db2.gz YDCKOJZZMLOQNP-UHFFFAOYSA-N 1 2 280.393 1.293 40 0 CDABLO COCC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000012114922 356288238 /nfs/dbraw/zinc/28/82/38/356288238.db2.gz PLZNAAVZPFULET-CQSZACIVSA-N 1 2 289.335 1.281 40 0 CDABLO Cc1cc(F)ccc1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000048231651 356487709 /nfs/dbraw/zinc/48/77/09/356487709.db2.gz UZLJBEFAULDGMU-UHFFFAOYSA-N 1 2 297.355 1.699 40 0 CDABLO Cc1[nH+]c2ccccc2n1CC(=O)NCc1nccn1C ZINC000019286704 356479403 /nfs/dbraw/zinc/47/94/03/356479403.db2.gz QAWRQLCUFWWPHN-UHFFFAOYSA-N 1 2 283.335 1.395 40 0 CDABLO COCCc1nc(Nc2ccc(OC)cc2)cc(N)[nH+]1 ZINC000049467741 357216309 /nfs/dbraw/zinc/21/63/09/357216309.db2.gz ITHHCDQKQZYLNU-UHFFFAOYSA-N 1 2 274.324 2.000 40 0 CDABLO CCN1CNC(Nc2nc(C)c3ccccc3n2)=[NH+]C1 ZINC000019332574 358056687 /nfs/dbraw/zinc/05/66/87/358056687.db2.gz KIEJHJDZUBOWRB-UHFFFAOYSA-N 1 2 270.340 1.546 40 0 CDABLO Nc1cc(C(F)(F)F)c([C@H]2CCNC(=O)C2)c[nH+]1 ZINC000199782085 358096362 /nfs/dbraw/zinc/09/63/62/358096362.db2.gz HAFOTHYNOONOFK-LURJTMIESA-N 1 2 259.231 1.676 40 0 CDABLO Cn1nccc1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000329266722 202259776 /nfs/dbraw/zinc/25/97/76/202259776.db2.gz CXMMTGSRUKAPCN-CQSZACIVSA-N 1 2 287.367 1.830 40 0 CDABLO Cn1nccc1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000329266722 202259780 /nfs/dbraw/zinc/25/97/80/202259780.db2.gz CXMMTGSRUKAPCN-CQSZACIVSA-N 1 2 287.367 1.830 40 0 CDABLO CN(C)c1nc(N2CCCC2)nc2c1C[N@H+](C)CC2 ZINC000096253986 358727864 /nfs/dbraw/zinc/72/78/64/358727864.db2.gz WYBSYIURTUGEFY-UHFFFAOYSA-N 1 2 261.373 1.131 40 0 CDABLO CN(C)c1nc(N2CCCC2)nc2c1C[N@@H+](C)CC2 ZINC000096253986 358727868 /nfs/dbraw/zinc/72/78/68/358727868.db2.gz WYBSYIURTUGEFY-UHFFFAOYSA-N 1 2 261.373 1.131 40 0 CDABLO CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000098175215 358816070 /nfs/dbraw/zinc/81/60/70/358816070.db2.gz LWFPHOAFMVSKJZ-CQSZACIVSA-N 1 2 291.347 1.649 40 0 CDABLO CCOC(=O)C1=C(O)CC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000098175215 358816072 /nfs/dbraw/zinc/81/60/72/358816072.db2.gz LWFPHOAFMVSKJZ-CQSZACIVSA-N 1 2 291.347 1.649 40 0 CDABLO O=S1(=O)C=C[C@@H]([NH2+]Cc2ccccc2Cl)C1 ZINC000082343733 359770588 /nfs/dbraw/zinc/77/05/88/359770588.db2.gz QZTBVPCKKTXBQS-SNVBAGLBSA-N 1 2 257.742 1.740 40 0 CDABLO CCn1ccc(C[NH2+]Cc2cn(C)nc2C(F)(F)F)n1 ZINC000256050328 190002842 /nfs/dbraw/zinc/00/28/42/190002842.db2.gz DQHYHMVPMVSUEM-UHFFFAOYSA-N 1 2 287.289 1.945 40 0 CDABLO Cc1ccnc([C@H]2CCN(C(=O)CCCn3cc[nH+]c3)C2)n1 ZINC000257233782 190017219 /nfs/dbraw/zinc/01/72/19/190017219.db2.gz GQSFSXAAEXMJKC-AWEZNQCLSA-N 1 2 299.378 1.778 40 0 CDABLO CCS(=O)(=O)N1CCC[C@@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000257309326 190031215 /nfs/dbraw/zinc/03/12/15/190031215.db2.gz UAMWDFYRPGIRBL-CYBMUJFWSA-N 1 2 297.424 1.677 40 0 CDABLO Cc1cn(C)c([C@@H]2CN(Cc3[nH+]ccn3C)CCO2)n1 ZINC000257341752 190037121 /nfs/dbraw/zinc/03/71/21/190037121.db2.gz ZLVFKUMLWLKJTQ-LBPRGKRZSA-N 1 2 275.356 1.036 40 0 CDABLO Cc1cn[nH]c1[C@@H]1CCCN1c1cc(C)[nH+]c(N)n1 ZINC000072388630 390935086 /nfs/dbraw/zinc/93/50/86/390935086.db2.gz SOJONISSYDIRIA-JTQLQIEISA-N 1 2 258.329 1.740 40 0 CDABLO COC(=O)[C@@](C)([NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000037514765 173245908 /nfs/dbraw/zinc/24/59/08/173245908.db2.gz HBQLZQREUYPSPI-JTQLQIEISA-N 1 2 263.215 1.932 40 0 CDABLO O=C(CSCC[NH+]1CCOCC1)N1CCCCCC1 ZINC000072262005 176351672 /nfs/dbraw/zinc/35/16/72/176351672.db2.gz PEYOKCUPOIWPLN-UHFFFAOYSA-N 1 2 286.441 1.454 40 0 CDABLO Cc1cc(=O)[nH]c([C@@H]2CCC[N@@H+](Cc3nccn3C)C2)n1 ZINC000072351242 176374316 /nfs/dbraw/zinc/37/43/16/176374316.db2.gz FNWATAVFRQAPCC-GFCCVEGCSA-N 1 2 287.367 1.604 40 0 CDABLO Cc1cc(=O)[nH]c([C@@H]2CCC[N@H+](Cc3nccn3C)C2)n1 ZINC000072351242 176374317 /nfs/dbraw/zinc/37/43/17/176374317.db2.gz FNWATAVFRQAPCC-GFCCVEGCSA-N 1 2 287.367 1.604 40 0 CDABLO CNc1cncc([C@@H]2CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000072380949 176387013 /nfs/dbraw/zinc/38/70/13/176387013.db2.gz RVVSZRFYRPQNSL-NSHDSACASA-N 1 2 258.329 1.579 40 0 CDABLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCOc1ccc(Cl)cc1 ZINC000078594266 177357189 /nfs/dbraw/zinc/35/71/89/177357189.db2.gz DQRURFGXZHKXDM-YPMHNXCESA-N 1 2 299.754 1.327 40 0 CDABLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCOc1ccc(Cl)cc1 ZINC000078594266 177357190 /nfs/dbraw/zinc/35/71/90/177357190.db2.gz DQRURFGXZHKXDM-YPMHNXCESA-N 1 2 299.754 1.327 40 0 CDABLO CC[NH+]1CCN(c2nc(C)c(C(C)=O)c(C)n2)CC1 ZINC000008731924 276203884 /nfs/dbraw/zinc/20/38/84/276203884.db2.gz VFHMITNBMRLDBC-UHFFFAOYSA-N 1 2 262.357 1.438 40 0 CDABLO COC[C@@H]1CN(C(=O)c2cscn2)Cc2[nH+]cn(C)c21 ZINC000096044758 277253849 /nfs/dbraw/zinc/25/38/49/277253849.db2.gz MTFZHMHZQYWMHP-VIFPVBQESA-N 1 2 292.364 1.263 40 0 CDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2cc(C)on2)[nH+]1 ZINC000257238537 301024542 /nfs/dbraw/zinc/02/45/42/301024542.db2.gz HLMJKIMVPJBPKD-LLVKDONJSA-N 1 2 276.296 1.228 40 0 CDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)C2CCCC2)[nH+]1 ZINC000257240114 301024607 /nfs/dbraw/zinc/02/46/07/301024607.db2.gz HSCXVLPOMBMQNK-GFCCVEGCSA-N 1 2 263.341 1.808 40 0 CDABLO COc1ccc2cc(C(=O)N3CC[NH+](C)CC3)c(C)nc2c1 ZINC000248161844 537030950 /nfs/dbraw/zinc/03/09/50/537030950.db2.gz XXUFYDAZMRRGKO-UHFFFAOYSA-N 1 2 299.374 1.939 40 0 CDABLO O[C@H]1CC[N@H+](Cc2c[nH]cn2)C[C@H]1Cc1ccccc1F ZINC000585273364 342255834 /nfs/dbraw/zinc/25/58/34/342255834.db2.gz CZIQJKMYPKVMEK-CJNGLKHVSA-N 1 2 289.354 1.974 40 0 CDABLO O[C@H]1CC[N@@H+](Cc2c[nH]cn2)C[C@H]1Cc1ccccc1F ZINC000585273364 342255835 /nfs/dbraw/zinc/25/58/35/342255835.db2.gz CZIQJKMYPKVMEK-CJNGLKHVSA-N 1 2 289.354 1.974 40 0 CDABLO O[C@H]1CC[N@H+](Cc2cnc[nH]2)C[C@H]1Cc1ccccc1F ZINC000585273364 342255836 /nfs/dbraw/zinc/25/58/36/342255836.db2.gz CZIQJKMYPKVMEK-CJNGLKHVSA-N 1 2 289.354 1.974 40 0 CDABLO O[C@H]1CC[N@@H+](Cc2cnc[nH]2)C[C@H]1Cc1ccccc1F ZINC000585273364 342255837 /nfs/dbraw/zinc/25/58/37/342255837.db2.gz CZIQJKMYPKVMEK-CJNGLKHVSA-N 1 2 289.354 1.974 40 0 CDABLO CO[C@@H]1COC[C@@H]([N@H+](C)Cc2cc(F)ccc2F)[C@@H]1O ZINC000585291253 342258930 /nfs/dbraw/zinc/25/89/30/342258930.db2.gz NUUPDSXQQDLGRU-MCIONIFRSA-N 1 2 287.306 1.171 40 0 CDABLO CO[C@@H]1COC[C@@H]([N@@H+](C)Cc2cc(F)ccc2F)[C@@H]1O ZINC000585291253 342258931 /nfs/dbraw/zinc/25/89/31/342258931.db2.gz NUUPDSXQQDLGRU-MCIONIFRSA-N 1 2 287.306 1.171 40 0 CDABLO Cn1cccc1C(=O)NCC[C@@H]1C[N@H+](C)Cc2ccnn21 ZINC000248109518 362151234 /nfs/dbraw/zinc/15/12/34/362151234.db2.gz GTMZSGPUUVVDMD-GFCCVEGCSA-N 1 2 287.367 1.028 40 0 CDABLO Cn1cccc1C(=O)NCC[C@@H]1C[N@@H+](C)Cc2ccnn21 ZINC000248109518 362151237 /nfs/dbraw/zinc/15/12/37/362151237.db2.gz GTMZSGPUUVVDMD-GFCCVEGCSA-N 1 2 287.367 1.028 40 0 CDABLO CCCS(=O)(=O)N(C)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257322207 362585640 /nfs/dbraw/zinc/58/56/40/362585640.db2.gz WFAHVZQSJWOSHV-CYBMUJFWSA-N 1 2 297.424 1.722 40 0 CDABLO O=C(c1ccncc1)N1C[C@@H]2C[N@H+](Cc3ccc[nH]3)[C@@H]2C1 ZINC000107798470 186191808 /nfs/dbraw/zinc/19/18/08/186191808.db2.gz LLLKLBFCEXDSIR-DZGCQCFKSA-N 1 2 282.347 1.366 40 0 CDABLO O=C(c1ccncc1)N1C[C@@H]2C[N@@H+](Cc3ccc[nH]3)[C@@H]2C1 ZINC000107798470 186191809 /nfs/dbraw/zinc/19/18/09/186191809.db2.gz LLLKLBFCEXDSIR-DZGCQCFKSA-N 1 2 282.347 1.366 40 0 CDABLO Cc1cc(C)nc(N2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000072367915 357831161 /nfs/dbraw/zinc/83/11/61/357831161.db2.gz PLFJUALRSZKITG-UHFFFAOYSA-N 1 2 283.379 1.811 40 0 CDABLO C[NH+](C)Cc1noc2c1CN(C(=O)c1ccncc1)CC2 ZINC000096259726 358729583 /nfs/dbraw/zinc/72/95/83/358729583.db2.gz HHXPDXOYPZHATE-UHFFFAOYSA-N 1 2 286.335 1.330 40 0 CDABLO C[C@]1(C(N)=O)C[N@H+](Cc2cccc(Cl)c2)CCO1 ZINC000257276854 291376717 /nfs/dbraw/zinc/37/67/17/291376717.db2.gz NVJQTDWWQHFNES-CYBMUJFWSA-N 1 2 268.744 1.416 40 0 CDABLO C[C@]1(C(N)=O)C[N@@H+](Cc2cccc(Cl)c2)CCO1 ZINC000257276854 291376720 /nfs/dbraw/zinc/37/67/20/291376720.db2.gz NVJQTDWWQHFNES-CYBMUJFWSA-N 1 2 268.744 1.416 40 0 CDABLO Cc1cccc(OC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000019913868 373887294 /nfs/dbraw/zinc/88/72/94/373887294.db2.gz AFVBZGSLSAQWCI-ZDUSSCGKSA-N 1 2 251.326 1.067 40 0 CDABLO Nc1ccccc1N1CCN(c2cccc[nH+]2)CC1 ZINC000019399351 374449185 /nfs/dbraw/zinc/44/91/85/374449185.db2.gz ZEQCCNDIFALBNY-UHFFFAOYSA-N 1 2 254.337 1.990 40 0 CDABLO c1cc2n(n1)[C@@H](COc1ncccn1)C[N@H+](CC1CC1)C2 ZINC000306140464 374971882 /nfs/dbraw/zinc/97/18/82/374971882.db2.gz UUKLBFMKFMVQHU-CQSZACIVSA-N 1 2 285.351 1.519 40 0 CDABLO c1cc2n(n1)[C@@H](COc1ncccn1)C[N@@H+](CC1CC1)C2 ZINC000306140464 374971887 /nfs/dbraw/zinc/97/18/87/374971887.db2.gz UUKLBFMKFMVQHU-CQSZACIVSA-N 1 2 285.351 1.519 40 0 CDABLO CCn1cc(C[NH2+]Cc2ccn(CCF)n2)c(C)n1 ZINC000256052428 190004107 /nfs/dbraw/zinc/00/41/07/190004107.db2.gz NFXLPOCFFJVWDH-UHFFFAOYSA-N 1 2 265.336 1.667 40 0 CDABLO Cc1cccc(C)c1OC[C@@H]1C[N@H+](CCO)CCO1 ZINC000217493877 375659235 /nfs/dbraw/zinc/65/92/35/375659235.db2.gz LPXXPEIPQOPWHV-AWEZNQCLSA-N 1 2 265.353 1.375 40 0 CDABLO Cc1cccc(C)c1OC[C@@H]1C[N@@H+](CCO)CCO1 ZINC000217493877 375659238 /nfs/dbraw/zinc/65/92/38/375659238.db2.gz LPXXPEIPQOPWHV-AWEZNQCLSA-N 1 2 265.353 1.375 40 0 CDABLO O=C(CCCn1cc[nH+]c1)N1CCC[C@H](c2ccncn2)C1 ZINC000257229018 190016506 /nfs/dbraw/zinc/01/65/06/190016506.db2.gz FWGTXQYQXCTNBE-AWEZNQCLSA-N 1 2 299.378 1.860 40 0 CDABLO Cc1n[nH]cc1C[N@@H+]1CCO[C@H](c2cccc(N)n2)C1 ZINC000257222252 190014542 /nfs/dbraw/zinc/01/45/42/190014542.db2.gz DSONCHSWTYEVFO-ZDUSSCGKSA-N 1 2 273.340 1.269 40 0 CDABLO Cc1n[nH]cc1C[N@H+]1CCO[C@H](c2cccc(N)n2)C1 ZINC000257222252 190014543 /nfs/dbraw/zinc/01/45/43/190014543.db2.gz DSONCHSWTYEVFO-ZDUSSCGKSA-N 1 2 273.340 1.269 40 0 CDABLO Cc1[nH+]c[nH]c1CN1CCO[C@@H](c2nc(C)cc(=O)[nH]2)C1 ZINC000257290335 190027662 /nfs/dbraw/zinc/02/76/62/190027662.db2.gz QCNCFUYAXBZQBL-GFCCVEGCSA-N 1 2 289.339 1.096 40 0 CDABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3cncnc3C)C2)[nH+]1 ZINC000257318041 190032740 /nfs/dbraw/zinc/03/27/40/190032740.db2.gz VMFNFNKRRVJLOB-LLVKDONJSA-N 1 2 271.324 1.446 40 0 CDABLO COc1ccccc1[C@@H]1CN(Cc2c[nH]cn2)CC[N@@H+]1C ZINC000257322335 190034163 /nfs/dbraw/zinc/03/41/63/190034163.db2.gz WFNPEJYPDARIJV-HNNXBMFYSA-N 1 2 286.379 1.907 40 0 CDABLO COc1ccccc1[C@@H]1CN(Cc2c[nH]cn2)CC[N@H+]1C ZINC000257322335 190034164 /nfs/dbraw/zinc/03/41/64/190034164.db2.gz WFNPEJYPDARIJV-HNNXBMFYSA-N 1 2 286.379 1.907 40 0 CDABLO C[NH+](C)C1(Cc2cc(-c3ccccn3)on2)COC1 ZINC000067898253 377286902 /nfs/dbraw/zinc/28/69/02/377286902.db2.gz QDQWJEDHGHKXPX-UHFFFAOYSA-N 1 2 259.309 1.610 40 0 biogenic,in-vitro CDABLO CCOC[C@@H]1Cn2nccc2C[N@H+](Cc2nccn2C)C1 ZINC000096188922 256816301 /nfs/dbraw/zinc/81/63/01/256816301.db2.gz MRNSQZJYVWCERX-ZDUSSCGKSA-N 1 2 289.383 1.285 40 0 CDABLO CCOC[C@@H]1Cn2nccc2C[N@@H+](Cc2nccn2C)C1 ZINC000096188922 256816303 /nfs/dbraw/zinc/81/63/03/256816303.db2.gz MRNSQZJYVWCERX-ZDUSSCGKSA-N 1 2 289.383 1.285 40 0 CDABLO Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)s1 ZINC000108529124 390613119 /nfs/dbraw/zinc/61/31/19/390613119.db2.gz HLUZEOZYYVOTQY-RYUDHWBXSA-N 1 2 280.393 1.602 40 0 CDABLO Cc1ccc(C(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)s1 ZINC000108529124 390613123 /nfs/dbraw/zinc/61/31/23/390613123.db2.gz HLUZEOZYYVOTQY-RYUDHWBXSA-N 1 2 280.393 1.602 40 0 CDABLO COC(=O)c1cc(N)c(C)c(OCC[NH+]2CCOCC2)c1 ZINC000095095526 391156787 /nfs/dbraw/zinc/15/67/87/391156787.db2.gz RURACIYNDRIVER-UHFFFAOYSA-N 1 2 294.351 1.075 40 0 CDABLO COc1ccc(C[C@@H]2C[N@H+](C)CCC2=O)c(OC)c1OC ZINC000242722735 391944881 /nfs/dbraw/zinc/94/48/81/391944881.db2.gz XSYIRQWGEVMRHB-GFCCVEGCSA-N 1 2 293.363 1.776 40 0 CDABLO COc1ccc(C[C@@H]2C[N@@H+](C)CCC2=O)c(OC)c1OC ZINC000242722735 391944885 /nfs/dbraw/zinc/94/48/85/391944885.db2.gz XSYIRQWGEVMRHB-GFCCVEGCSA-N 1 2 293.363 1.776 40 0 CDABLO CC(=O)N[C@H]1C[C@@H](c2nc(-c3ccccn3)no2)[N@H+](C)C1 ZINC000020464040 171209402 /nfs/dbraw/zinc/20/94/02/171209402.db2.gz ZGHXNUFLWTTZPM-JQWIXIFHSA-N 1 2 287.323 1.013 40 0 biogenic,in-vitro CDABLO CC(=O)N[C@H]1C[C@@H](c2nc(-c3ccccn3)no2)[N@@H+](C)C1 ZINC000020464040 171209404 /nfs/dbraw/zinc/20/94/04/171209404.db2.gz ZGHXNUFLWTTZPM-JQWIXIFHSA-N 1 2 287.323 1.013 40 0 biogenic,in-vitro CDABLO CCOc1ccc(OCC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000058874545 175629794 /nfs/dbraw/zinc/62/97/94/175629794.db2.gz XDKGNUDZYVBAIN-UHFFFAOYSA-N 1 2 292.379 1.628 40 0 CDABLO C[NH+]1CCN(C(=O)c2nnsc2-c2ccccc2)CC1 ZINC000072239984 176348032 /nfs/dbraw/zinc/34/80/32/176348032.db2.gz JJMLXJMJCOJNJW-UHFFFAOYSA-N 1 2 288.376 1.593 40 0 CDABLO CN(C)c1cccc([C@H]2CCCN(S(C)(=O)=O)C2)[nH+]1 ZINC000072381022 176387391 /nfs/dbraw/zinc/38/73/91/176387391.db2.gz FIOPZSXYJGFJIW-NSHDSACASA-N 1 2 283.397 1.287 40 0 CDABLO Cn1cc[nH+]c1CN1C[C@@H]2C[C@H]1C(=O)Nc1ccccc1O2 ZINC000225480230 294408510 /nfs/dbraw/zinc/40/85/10/294408510.db2.gz VOCBHVZGRUZNNX-AAEUAGOBSA-N 1 2 298.346 1.394 40 0 biogenic,in-vitro CDABLO CCS(=O)(=O)N1CCN(CC2CC2)c2[nH+]cccc2C1 ZINC000096045656 185072123 /nfs/dbraw/zinc/07/21/23/185072123.db2.gz LVEZAXBNEPVSSD-UHFFFAOYSA-N 1 2 295.408 1.463 40 0 CDABLO CCOC[C@@H]1CN(C(=O)C2=CCCC2)Cc2[nH+]cn(C)c21 ZINC000096068625 185085580 /nfs/dbraw/zinc/08/55/80/185085580.db2.gz IGBMZSNGEUGRFI-ZDUSSCGKSA-N 1 2 289.379 1.993 40 0 CDABLO CCOC[C@@H]1c2c([nH+]cn2C)CCN1Cc1nccn1C ZINC000096086766 185093865 /nfs/dbraw/zinc/09/38/65/185093865.db2.gz FWEMLHZNOMDCJC-CYBMUJFWSA-N 1 2 289.383 1.290 40 0 CDABLO CCOCC(=O)N(C)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000585182300 342232744 /nfs/dbraw/zinc/23/27/44/342232744.db2.gz DZMQQEAYGYCJMO-ZDUSSCGKSA-N 1 2 277.368 1.545 40 0 CDABLO C[C@H]1CO[C@@H](CO)C[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000092042191 180310690 /nfs/dbraw/zinc/31/06/90/180310690.db2.gz MEDOBVKNTAWSOC-PGFASWDNSA-N 1 2 265.328 1.921 40 0 CDABLO C[C@H]1CO[C@@H](CO)C[N@H+]1C/C=C/c1ccc(F)cc1 ZINC000092042191 180310691 /nfs/dbraw/zinc/31/06/91/180310691.db2.gz MEDOBVKNTAWSOC-PGFASWDNSA-N 1 2 265.328 1.921 40 0 CDABLO Cc1cnc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000152750660 188040713 /nfs/dbraw/zinc/04/07/13/188040713.db2.gz DXZDZKKJXGZMGY-LBPRGKRZSA-N 1 2 283.335 1.189 40 0 CDABLO O=C(Cn1cc[nH+]c1)N1CCN(c2ccccc2)CC1 ZINC000013219962 356341128 /nfs/dbraw/zinc/34/11/28/356341128.db2.gz MNFKPSOCCDVYNQ-UHFFFAOYSA-N 1 2 270.336 1.232 40 0 CDABLO Cc1[nH+]c2ccccc2n1CC(=O)NC[C@H]1CCCOC1 ZINC000019286703 356479505 /nfs/dbraw/zinc/47/95/05/356479505.db2.gz ODRVLOBBAXVDOL-CYBMUJFWSA-N 1 2 287.363 1.888 40 0 CDABLO CN1CCN(C(=O)C2CC=CC2)Cc2ccc[nH+]c21 ZINC000096198819 358717601 /nfs/dbraw/zinc/71/76/01/358717601.db2.gz PNOOQECPCOTKSR-UHFFFAOYSA-N 1 2 257.337 1.826 40 0 CDABLO CC(=O)N1CCO[C@@H]2C[N@H+](Cc3nccs3)CC[C@@H]2C1 ZINC000096249839 358726871 /nfs/dbraw/zinc/72/68/71/358726871.db2.gz GSFANDPJNJEIAF-CHWSQXEVSA-N 1 2 295.408 1.212 40 0 CDABLO CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3nccs3)CC[C@@H]2C1 ZINC000096249839 358726872 /nfs/dbraw/zinc/72/68/72/358726872.db2.gz GSFANDPJNJEIAF-CHWSQXEVSA-N 1 2 295.408 1.212 40 0 CDABLO Cn1nc(C[NH+](C)C)c2c1CN(C(=O)c1cscn1)C2 ZINC000096259082 358728460 /nfs/dbraw/zinc/72/84/60/358728460.db2.gz NCNKQHDXHQZFML-UHFFFAOYSA-N 1 2 291.380 1.094 40 0 CDABLO O=C1CNc2nc[nH+]c(NCCc3ccc(F)cc3)c2N1 ZINC000041121377 359683894 /nfs/dbraw/zinc/68/38/94/359683894.db2.gz WXRXBMQQVAXYCX-UHFFFAOYSA-N 1 2 287.298 1.634 40 0 CDABLO O=C1CNc2[nH+]cnc(NCCc3ccc(F)cc3)c2N1 ZINC000041121377 359683898 /nfs/dbraw/zinc/68/38/98/359683898.db2.gz WXRXBMQQVAXYCX-UHFFFAOYSA-N 1 2 287.298 1.634 40 0 CDABLO COC1(CNc2ccc(CO)c[nH+]2)CCOCC1 ZINC000330907270 203377632 /nfs/dbraw/zinc/37/76/32/203377632.db2.gz NUFVFFQJOYLCTQ-UHFFFAOYSA-N 1 2 252.314 1.181 40 0 CDABLO Cc1cc(C)nc([C@@H]2CN(Cc3c[nH+]c[nH]3)CCO2)n1 ZINC000257208805 190012461 /nfs/dbraw/zinc/01/24/61/190012461.db2.gz BNQMICZYJXYYQP-ZDUSSCGKSA-N 1 2 273.340 1.390 40 0 CDABLO Cc1cc(C)nc([C@@H]2CN(Cc3c[nH]c[nH+]3)CCO2)n1 ZINC000257208805 190012462 /nfs/dbraw/zinc/01/24/62/190012462.db2.gz BNQMICZYJXYYQP-ZDUSSCGKSA-N 1 2 273.340 1.390 40 0 CDABLO COc1cccc(C[C@H]2C[N@H+](CC(=O)N(C)C)CCO2)c1 ZINC000257214732 190012899 /nfs/dbraw/zinc/01/28/99/190012899.db2.gz CNFHJFMCPFJSBI-HNNXBMFYSA-N 1 2 292.379 1.027 40 0 CDABLO COc1cccc(C[C@H]2C[N@@H+](CC(=O)N(C)C)CCO2)c1 ZINC000257214732 190012900 /nfs/dbraw/zinc/01/29/00/190012900.db2.gz CNFHJFMCPFJSBI-HNNXBMFYSA-N 1 2 292.379 1.027 40 0 CDABLO CNc1nccc([C@H]2CCCCN2Cc2[nH+]ccn2C)n1 ZINC000257214487 190013234 /nfs/dbraw/zinc/01/32/34/190013234.db2.gz CMEAVGJSIBPULQ-CYBMUJFWSA-N 1 2 286.383 1.979 40 0 CDABLO O=C(CCn1cc[nH+]c1)N1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000257248062 190020393 /nfs/dbraw/zinc/02/03/93/190020393.db2.gz JBWPEEAFXIMUKV-CYBMUJFWSA-N 1 2 287.367 1.478 40 0 CDABLO Cn1cc(C[N@@H+]2CCC[C@H](Cc3ccn[nH]3)C2)cn1 ZINC000257281416 190026413 /nfs/dbraw/zinc/02/64/13/190026413.db2.gz OPCGSYBIZKBSAL-GFCCVEGCSA-N 1 2 259.357 1.598 40 0 CDABLO Cn1cc(C[N@H+]2CCC[C@H](Cc3ccn[nH]3)C2)cn1 ZINC000257281416 190026414 /nfs/dbraw/zinc/02/64/14/190026414.db2.gz OPCGSYBIZKBSAL-GFCCVEGCSA-N 1 2 259.357 1.598 40 0 CDABLO Cc1cc([C@H]2CN(Cc3[nH]cc[nH+]3)CCO2)nc(C)n1 ZINC000257272907 190024718 /nfs/dbraw/zinc/02/47/18/190024718.db2.gz NEIMUKXUQGHXNO-CYBMUJFWSA-N 1 2 273.340 1.390 40 0 CDABLO COc1nc(OC)nc(N2CCC[C@@H]2c2[nH]cc(C)[nH+]2)n1 ZINC000257289076 190028045 /nfs/dbraw/zinc/02/80/45/190028045.db2.gz PWWZKMZMCQIFIC-SECBINFHSA-N 1 2 290.327 1.262 40 0 CDABLO Cc1cn(C)c([C@H]2CCC[N@H+](Cc3c[nH]cn3)C2)n1 ZINC000257324317 190034371 /nfs/dbraw/zinc/03/43/71/190034371.db2.gz WOCYJMQLABRDFY-LBPRGKRZSA-N 1 2 259.357 1.831 40 0 CDABLO Cc1cn(C)c([C@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)n1 ZINC000257324317 190034372 /nfs/dbraw/zinc/03/43/72/190034372.db2.gz WOCYJMQLABRDFY-LBPRGKRZSA-N 1 2 259.357 1.831 40 0 CDABLO Cc1cn(C)c([C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)n1 ZINC000257324317 190034373 /nfs/dbraw/zinc/03/43/73/190034373.db2.gz WOCYJMQLABRDFY-LBPRGKRZSA-N 1 2 259.357 1.831 40 0 CDABLO Cc1cn(C)c([C@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)n1 ZINC000257324317 190034374 /nfs/dbraw/zinc/03/43/74/190034374.db2.gz WOCYJMQLABRDFY-LBPRGKRZSA-N 1 2 259.357 1.831 40 0 CDABLO Cc1nc(N(C)C)cc([C@H]2CCN(c3cnccn3)C2)[nH+]1 ZINC000072363829 176378293 /nfs/dbraw/zinc/37/82/93/176378293.db2.gz WOQCNECSRFEGMD-LBPRGKRZSA-N 1 2 284.367 1.635 40 0 CDABLO Cc1cc(N2CC[C@H](c3nn(C)c4nccnc34)C2)nc[nH+]1 ZINC000072364118 176378892 /nfs/dbraw/zinc/37/88/92/176378892.db2.gz JPZIMMVFQYUJKD-NSHDSACASA-N 1 2 295.350 1.456 40 0 CDABLO COC(=O)[C@@H]1Cc2[nH]c[nH+]c2CN1Cc1ccc(C)cc1 ZINC000015707158 277108478 /nfs/dbraw/zinc/10/84/78/277108478.db2.gz RPZABVBHSQRXTN-HNNXBMFYSA-N 1 2 285.347 1.818 40 0 biogenic,in-vitro CDABLO COC(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1Cc1ccc(C)cc1 ZINC000015707158 277108480 /nfs/dbraw/zinc/10/84/80/277108480.db2.gz RPZABVBHSQRXTN-HNNXBMFYSA-N 1 2 285.347 1.818 40 0 biogenic,in-vitro CDABLO CCS(=O)(=O)N1CC[N@H+](C)[C@H](c2ccc(OC)cc2)C1 ZINC000065281857 280014273 /nfs/dbraw/zinc/01/42/73/280014273.db2.gz UUBRFWKXKLBUPP-AWEZNQCLSA-N 1 2 298.408 1.333 40 0 CDABLO CCS(=O)(=O)N1CC[N@@H+](C)[C@H](c2ccc(OC)cc2)C1 ZINC000065281857 280014275 /nfs/dbraw/zinc/01/42/75/280014275.db2.gz UUBRFWKXKLBUPP-AWEZNQCLSA-N 1 2 298.408 1.333 40 0 CDABLO COCC(=O)N1Cc2[nH+]cn(CC3CC3)c2[C@@H](COC)C1 ZINC000096060295 185081309 /nfs/dbraw/zinc/08/13/09/185081309.db2.gz VSXPNBGMIASZHE-GFCCVEGCSA-N 1 2 293.367 1.012 40 0 CDABLO C[N@H+]1Cc2ccnn2[C@H](CCNC(=O)N2CCCC2)C1 ZINC000585112534 342213538 /nfs/dbraw/zinc/21/35/38/342213538.db2.gz RYWQUNXTXDRRSK-GFCCVEGCSA-N 1 2 277.372 1.065 40 0 CDABLO C[N@@H+]1Cc2ccnn2[C@H](CCNC(=O)N2CCCC2)C1 ZINC000585112534 342213539 /nfs/dbraw/zinc/21/35/39/342213539.db2.gz RYWQUNXTXDRRSK-GFCCVEGCSA-N 1 2 277.372 1.065 40 0 CDABLO CC(C)(C)OC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000072225484 359055923 /nfs/dbraw/zinc/05/59/23/359055923.db2.gz VYFPESYMAAXGRV-UHFFFAOYSA-N 1 2 293.367 1.943 40 0 CDABLO Cn1ccc(C[NH2+]Cc2ccnn2CC(F)(F)F)n1 ZINC000256052748 190004555 /nfs/dbraw/zinc/00/45/55/190004555.db2.gz OMESPFXKGRNZIL-UHFFFAOYSA-N 1 2 273.262 1.469 40 0 CDABLO CC(=O)NCc1cc([C@@H]2CCC[N@@H+]2Cc2c[nH]cn2)ccn1 ZINC000257242312 190018853 /nfs/dbraw/zinc/01/88/53/190018853.db2.gz IBWUGKFNSMRFLD-INIZCTEOSA-N 1 2 299.378 1.778 40 0 CDABLO CC(=O)NCc1cc([C@@H]2CCC[N@H+]2Cc2c[nH]cn2)ccn1 ZINC000257242312 190018854 /nfs/dbraw/zinc/01/88/54/190018854.db2.gz IBWUGKFNSMRFLD-INIZCTEOSA-N 1 2 299.378 1.778 40 0 CDABLO CC(=O)NCc1cc([C@@H]2CCC[N@@H+]2Cc2cnc[nH]2)ccn1 ZINC000257242312 190018855 /nfs/dbraw/zinc/01/88/55/190018855.db2.gz IBWUGKFNSMRFLD-INIZCTEOSA-N 1 2 299.378 1.778 40 0 CDABLO CC(=O)NCc1cc([C@@H]2CCC[N@H+]2Cc2cnc[nH]2)ccn1 ZINC000257242312 190018856 /nfs/dbraw/zinc/01/88/56/190018856.db2.gz IBWUGKFNSMRFLD-INIZCTEOSA-N 1 2 299.378 1.778 40 0 CDABLO Cc1c[nH]c([C@H]2CCN(C(=O)C3CCOCC3)C2)[nH+]1 ZINC000257265770 190023496 /nfs/dbraw/zinc/02/34/96/190023496.db2.gz MAENISAEFGNQGM-LBPRGKRZSA-N 1 2 263.341 1.461 40 0 CDABLO COCC(=O)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257256110 190021245 /nfs/dbraw/zinc/02/12/45/190021245.db2.gz KKDDDQINJSPSGL-ZDUSSCGKSA-N 1 2 271.320 1.613 40 0 CDABLO CCCn1ccc(C(=O)N2CC[C@@H](c3[nH]cc(C)[nH+]3)C2)n1 ZINC000257320622 190033653 /nfs/dbraw/zinc/03/36/53/190033653.db2.gz VXOZPTASFAMAPR-GFCCVEGCSA-N 1 2 287.367 1.954 40 0 CDABLO Cc1cccc(Nc2cc(C)nc(C3C[NH2+]C3)n2)n1 ZINC000257323024 190033925 /nfs/dbraw/zinc/03/39/25/190033925.db2.gz WILRQRPKFIEVLL-UHFFFAOYSA-N 1 2 255.325 1.919 40 0 CDABLO C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)C(=O)OC(C)(C)C ZINC000300423473 376557453 /nfs/dbraw/zinc/55/74/53/376557453.db2.gz SINCIOFMDCMHQQ-DLOVCJGASA-N 1 2 255.358 1.874 40 0 CDABLO CCn1cc[nH+]c1CNC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000331333801 376868220 /nfs/dbraw/zinc/86/82/20/376868220.db2.gz POVXLRYGWLDPTQ-NSHDSACASA-N 1 2 292.383 1.166 40 0 CDABLO O=C1CNc2nc[nH+]c(NCCc3ccco3)c2N1 ZINC000041121606 379333538 /nfs/dbraw/zinc/33/35/38/379333538.db2.gz YXDOGTKQKTYQKN-UHFFFAOYSA-N 1 2 259.269 1.088 40 0 CDABLO O=C1CNc2[nH+]cnc(NCCc3ccco3)c2N1 ZINC000041121606 379333545 /nfs/dbraw/zinc/33/35/45/379333545.db2.gz YXDOGTKQKTYQKN-UHFFFAOYSA-N 1 2 259.269 1.088 40 0 CDABLO CN1CCN(C(=O)c2cccnc2)Cc2ccc[nH+]c21 ZINC000096060914 390912423 /nfs/dbraw/zinc/91/24/23/390912423.db2.gz LPARXSMGINVJIK-UHFFFAOYSA-N 1 2 268.320 1.569 40 0 CDABLO CCOC(=[NH2+])c1ccc(C(=O)OCCOC)cc1 ZINC000005004212 170053728 /nfs/dbraw/zinc/05/37/28/170053728.db2.gz WVUYPSLGYWHSOX-UHFFFAOYSA-N 1 2 251.282 1.852 40 0 CDABLO Nc1ccccc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000005616531 170120027 /nfs/dbraw/zinc/12/00/27/170120027.db2.gz QEDTWLKPRORWKX-UHFFFAOYSA-N 1 2 282.347 1.626 40 0 CDABLO O=C(C[N@H+]1CCC[C@H](O)C1)c1ccc(Cl)cc1 ZINC000044029882 175138994 /nfs/dbraw/zinc/13/89/94/175138994.db2.gz RZTWHDQPIJUDMG-LBPRGKRZSA-N 1 2 253.729 1.979 40 0 CDABLO O=C(C[N@@H+]1CCC[C@H](O)C1)c1ccc(Cl)cc1 ZINC000044029882 175138995 /nfs/dbraw/zinc/13/89/95/175138995.db2.gz RZTWHDQPIJUDMG-LBPRGKRZSA-N 1 2 253.729 1.979 40 0 CDABLO c1c[nH]c(C[N@@H+]2CCCN(c3ccccn3)CC2)n1 ZINC000072351006 176373768 /nfs/dbraw/zinc/37/37/68/176373768.db2.gz DCVXHYHUPZMATK-UHFFFAOYSA-N 1 2 257.341 1.517 40 0 CDABLO c1c[nH]c(C[N@H+]2CCCN(c3ccccn3)CC2)n1 ZINC000072351006 176373769 /nfs/dbraw/zinc/37/37/69/176373769.db2.gz DCVXHYHUPZMATK-UHFFFAOYSA-N 1 2 257.341 1.517 40 0 CDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2c(C)noc2C)[nH+]1 ZINC000257272447 301024906 /nfs/dbraw/zinc/02/49/06/301024906.db2.gz NCLKADYEAHKZKE-LLVKDONJSA-N 1 2 290.323 1.537 40 0 CDABLO CC[NH+](CC)CCC[NH2+]Cc1ccccc1OCC(=O)[O-] ZINC000062718529 327915290 /nfs/dbraw/zinc/91/52/90/327915290.db2.gz YJJLIPABFMWPPX-UHFFFAOYSA-N 1 2 294.395 1.972 40 0 CDABLO CCOC(=O)c1c[nH+]c(NN)nc1-c1ccccc1 ZINC000071261620 327104172 /nfs/dbraw/zinc/10/41/72/327104172.db2.gz XXNXBFISKSIQRH-UHFFFAOYSA-N 1 2 258.281 1.606 40 0 CDABLO COc1ccccc1C(=S)NCC[NH+]1CCOCC1 ZINC000408576909 230407164 /nfs/dbraw/zinc/40/71/64/230407164.db2.gz YTWOADGEKKRKTM-UHFFFAOYSA-N 1 2 280.393 1.293 40 0 CDABLO COC[C@H]1C[N@H+](Cc2ccc(C)o2)Cc2nnn(C)c21 ZINC000096060605 185079830 /nfs/dbraw/zinc/07/98/30/185079830.db2.gz IEXHXZTZOADLKX-LLVKDONJSA-N 1 2 276.340 1.462 40 0 CDABLO COC[C@H]1C[N@@H+](Cc2ccc(C)o2)Cc2nnn(C)c21 ZINC000096060605 185079832 /nfs/dbraw/zinc/07/98/32/185079832.db2.gz IEXHXZTZOADLKX-LLVKDONJSA-N 1 2 276.340 1.462 40 0 CDABLO O[C@@]1(COc2cccc(F)c2)CC[N@H+](Cc2cc[nH]n2)C1 ZINC000585268905 342254396 /nfs/dbraw/zinc/25/43/96/342254396.db2.gz DFGPEWVGHJUUFX-HNNXBMFYSA-N 1 2 291.326 1.565 40 0 CDABLO O[C@@]1(COc2cccc(F)c2)CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000585268905 342254397 /nfs/dbraw/zinc/25/43/97/342254397.db2.gz DFGPEWVGHJUUFX-HNNXBMFYSA-N 1 2 291.326 1.565 40 0 CDABLO COC[C@H]1CN(C(=O)c2ccc(C)nc2)Cc2c[nH+]cn21 ZINC000248109600 362151340 /nfs/dbraw/zinc/15/13/40/362151340.db2.gz QEDKUDYRFKACTQ-CQSZACIVSA-N 1 2 286.335 1.430 40 0 CDABLO COc1ccc2ccccc2c1[C@@H]1NC(=O)CC[NH2+]1 ZINC000209616372 344837717 /nfs/dbraw/zinc/83/77/17/344837717.db2.gz HSKBDAQLBPKUBA-HNNXBMFYSA-N 1 2 256.305 1.957 40 0 CDABLO COCC(=O)N(C)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257310198 362586220 /nfs/dbraw/zinc/58/62/20/362586220.db2.gz UECCEQKIVJRXSE-GFCCVEGCSA-N 1 2 263.341 1.155 40 0 CDABLO C[C@H]1c2[nH+]cc(Cn3cccn3)n2CCN1[C@H]1CCOC1 ZINC000107218838 186163612 /nfs/dbraw/zinc/16/36/12/186163612.db2.gz IMAYFHAHRVZQKQ-STQMWFEESA-N 1 2 287.367 1.293 40 0 CDABLO CC(C)CNC(=O)NCCCNc1cccc[nH+]1 ZINC000042946983 356084291 /nfs/dbraw/zinc/08/42/91/356084291.db2.gz KQJOKQPDGQQGIU-UHFFFAOYSA-N 1 2 250.346 1.839 40 0 CDABLO C[C@H](Cc1ccccn1)N(C)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC000019456911 356485680 /nfs/dbraw/zinc/48/56/80/356485680.db2.gz GAOZHBIRPMGNLE-CHWSQXEVSA-N 1 2 272.352 1.929 40 0 CDABLO CN(CCc1ccccc1)C(=O)[C@@H]1C[NH2+]Cc2cn[nH]c21 ZINC000019701813 356496029 /nfs/dbraw/zinc/49/60/29/356496029.db2.gz STWMARMCEVRUAT-CQSZACIVSA-N 1 2 284.363 1.298 40 0 CDABLO O=S(=O)(Nc1cc[nH+]cc1)c1ccc(O)cc1 ZINC000034959680 356824918 /nfs/dbraw/zinc/82/49/18/356824918.db2.gz KVHWJOULIZFALZ-UHFFFAOYSA-N 1 2 250.279 1.588 40 0 CDABLO O=C(NCC1CCOCC1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000194976243 358402784 /nfs/dbraw/zinc/40/27/84/358402784.db2.gz ZYBANRIGDYSQJP-UHFFFAOYSA-N 1 2 286.335 1.424 40 0 CDABLO COC[C@@H]1Cn2nccc2C[N@H+](Cc2nccs2)C1 ZINC000096188888 358714987 /nfs/dbraw/zinc/71/49/87/358714987.db2.gz BJKFICUOLDMVFB-NSHDSACASA-N 1 2 278.381 1.618 40 0 CDABLO COC[C@@H]1Cn2nccc2C[N@@H+](Cc2nccs2)C1 ZINC000096188888 358714988 /nfs/dbraw/zinc/71/49/88/358714988.db2.gz BJKFICUOLDMVFB-NSHDSACASA-N 1 2 278.381 1.618 40 0 CDABLO COCCN1CC[N@H+](Cc2ccccn2)Cc2cccnc21 ZINC000096198853 358717471 /nfs/dbraw/zinc/71/74/71/358717471.db2.gz CCUHKELEUYXWOH-UHFFFAOYSA-N 1 2 298.390 1.945 40 0 CDABLO COCCN1CC[N@@H+](Cc2ccccn2)Cc2cccnc21 ZINC000096198853 358717473 /nfs/dbraw/zinc/71/74/73/358717473.db2.gz CCUHKELEUYXWOH-UHFFFAOYSA-N 1 2 298.390 1.945 40 0 CDABLO O=C(N[C@H]1CC[NH2+]CC1(F)F)OCc1ccccc1 ZINC000307669106 374295004 /nfs/dbraw/zinc/29/50/04/374295004.db2.gz RRICLCGYDVONBZ-NSHDSACASA-N 1 2 270.279 1.910 40 0 CDABLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)c1cnccn1 ZINC000130976599 374312860 /nfs/dbraw/zinc/31/28/60/374312860.db2.gz LNDYBXHQZQJWOJ-LBPRGKRZSA-N 1 2 283.335 1.270 40 0 CDABLO CCCn1ccc(C[NH2+]Cc2cnn(CC)c2F)n1 ZINC000256050981 190003783 /nfs/dbraw/zinc/00/37/83/190003783.db2.gz HHBRTEIGENGYAO-UHFFFAOYSA-N 1 2 265.336 1.938 40 0 CDABLO Cc1c(C[NH2+]Cc2ccn(CCF)n2)cnn1C ZINC000256053023 190004400 /nfs/dbraw/zinc/00/44/00/190004400.db2.gz PROHYKQILDDVOH-UHFFFAOYSA-N 1 2 251.309 1.184 40 0 CDABLO Cc1cnc(C(=O)N2CCCC[C@@H]2C2CC[NH2+]CC2)cn1 ZINC000257323483 190034317 /nfs/dbraw/zinc/03/43/17/190034317.db2.gz WKJYYLVYBRDDFT-OAHLLOKOSA-N 1 2 288.395 1.779 40 0 CDABLO CC[NH+]1CCC(c2ncncc2S(C)(=O)=O)CC1 ZINC000257271373 285192280 /nfs/dbraw/zinc/19/22/80/285192280.db2.gz MYAFGGRFOUMCMM-UHFFFAOYSA-N 1 2 269.370 1.079 40 0 CDABLO CC[C@H](O)c1c[nH+]c(N2CCN(C=O)CC2)c(C)c1 ZINC000072222639 390623338 /nfs/dbraw/zinc/62/33/38/390623338.db2.gz IRGRKWGZLZNXOC-ZDUSSCGKSA-N 1 2 263.341 1.112 40 0 CDABLO CN1CCN(C(=O)c2ccncc2)Cc2ccc[nH+]c21 ZINC000096060913 390912377 /nfs/dbraw/zinc/91/23/77/390912377.db2.gz TYLQBXAVTXFFDS-UHFFFAOYSA-N 1 2 268.320 1.569 40 0 CDABLO O[C@](C[NH+]1CCOCC1)(c1ccccc1)c1ccccn1 ZINC000022145511 171356486 /nfs/dbraw/zinc/35/64/86/171356486.db2.gz HWRFPHKCSVQXOO-QGZVFWFLSA-N 1 2 284.359 1.650 40 0 CDABLO Cc1cccc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000022270344 171383302 /nfs/dbraw/zinc/38/33/02/171383302.db2.gz UTGDHWXQYDCPIZ-UHFFFAOYSA-N 1 2 280.397 1.009 40 0 CDABLO CC(C)N(C(=O)[C@H](C)[NH+]1CCN(C)CC1)C(C)C ZINC000022585821 171393149 /nfs/dbraw/zinc/39/31/49/171393149.db2.gz OSMSMJMDMSZFOZ-ZDUSSCGKSA-N 1 2 255.406 1.268 40 0 CDABLO Cc1ccc(C(=O)C[NH2+][C@H]2CCS(=O)(=O)C2)cc1C ZINC000040177482 174202343 /nfs/dbraw/zinc/20/23/43/174202343.db2.gz WOBMCDFNGQCXAG-ZDUSSCGKSA-N 1 2 281.377 1.263 40 0 CDABLO OC[C@H]1[C@@H](CO)[C@H]2C[C@@H]1[C@H]1[C@H]2N=[NH+]N1c1ccccc1 ZINC000004958217 326813563 /nfs/dbraw/zinc/81/35/63/326813563.db2.gz POKLWBLDSUIKAG-GHRCFYLDSA-N 1 2 273.336 1.478 40 0 CDABLO CCOCC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000131240423 535418249 /nfs/dbraw/zinc/41/82/49/535418249.db2.gz UORYIEPWUVOFHV-GFCCVEGCSA-N 1 2 263.341 1.203 40 0 CDABLO Cn1nnc2c1CC[N@H+](C)[C@@H]2COCc1ccccc1 ZINC000096045323 185071456 /nfs/dbraw/zinc/07/14/56/185071456.db2.gz ZEUJLWXSISGZBZ-CQSZACIVSA-N 1 2 272.352 1.561 40 0 CDABLO Cn1nnc2c1CC[N@@H+](C)[C@@H]2COCc1ccccc1 ZINC000096045323 185071458 /nfs/dbraw/zinc/07/14/58/185071458.db2.gz ZEUJLWXSISGZBZ-CQSZACIVSA-N 1 2 272.352 1.561 40 0 CDABLO CC(C)NC(=O)[C@@H]1C[C@H]2OCC[N@H+](Cc3ccco3)[C@@H]2C1 ZINC000096056684 185077531 /nfs/dbraw/zinc/07/75/31/185077531.db2.gz IIJYGORQRMNQHZ-NWANDNLSSA-N 1 2 292.379 1.784 40 0 CDABLO CC(C)NC(=O)[C@@H]1C[C@H]2OCC[N@@H+](Cc3ccco3)[C@@H]2C1 ZINC000096056684 185077532 /nfs/dbraw/zinc/07/75/32/185077532.db2.gz IIJYGORQRMNQHZ-NWANDNLSSA-N 1 2 292.379 1.784 40 0 CDABLO Cc1cc(C[N@@H+]2C[C@]3(CCNC3=O)CC(F)(F)C2)[nH]n1 ZINC000585093340 342211143 /nfs/dbraw/zinc/21/11/43/342211143.db2.gz QGAFTQMJSGPILO-LBPRGKRZSA-N 1 2 284.310 1.065 40 0 CDABLO Cc1cc(C[N@H+]2C[C@]3(CCNC3=O)CC(F)(F)C2)[nH]n1 ZINC000585093340 342211144 /nfs/dbraw/zinc/21/11/44/342211144.db2.gz QGAFTQMJSGPILO-LBPRGKRZSA-N 1 2 284.310 1.065 40 0 CDABLO Cc1cccnc1CN1Cc2[nH+]cn(C)c2C[C@H]1CO ZINC000585094828 342211364 /nfs/dbraw/zinc/21/13/64/342211364.db2.gz OLHDPFKBMYDROD-LBPRGKRZSA-N 1 2 272.352 1.043 40 0 CDABLO OC[C@@]1(Cc2ccccc2)CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000585277711 342256465 /nfs/dbraw/zinc/25/64/65/342256465.db2.gz XEVINYREPBCRFW-MRXNPFEDSA-N 1 2 287.363 1.216 40 0 CDABLO CC1(C)C[C@H]2[C@H](CCCN2C(=O)C=Cc2c[nH]c[nH+]2)O1 ZINC000585290843 342258862 /nfs/dbraw/zinc/25/88/62/342258862.db2.gz HQWVJDVTUAZXRB-AAAGKOELSA-N 1 2 275.352 1.981 40 0 CDABLO Cc1ncc(C[N@@H+](C)[C@H](C)C(=O)NC[C@@H]2CCCO2)s1 ZINC000079354057 362164436 /nfs/dbraw/zinc/16/44/36/362164436.db2.gz HYOWBOWGZJKPLI-PWSUYJOCSA-N 1 2 297.424 1.567 40 0 CDABLO Cc1ncc(C[N@H+](C)[C@H](C)C(=O)NC[C@@H]2CCCO2)s1 ZINC000079354057 362164447 /nfs/dbraw/zinc/16/44/47/362164447.db2.gz HYOWBOWGZJKPLI-PWSUYJOCSA-N 1 2 297.424 1.567 40 0 CDABLO Cc1cc(=O)[nH]c([C@H]2CN(c3cc[nH+]c(C)n3)CCO2)n1 ZINC000257256267 362580589 /nfs/dbraw/zinc/58/05/89/362580589.db2.gz KKTKUKGTFVKCCM-LLVKDONJSA-N 1 2 287.323 1.167 40 0 CDABLO CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257325745 362587061 /nfs/dbraw/zinc/58/70/61/362587061.db2.gz WUFNXAJBELRPKY-CQSZACIVSA-N 1 2 299.378 1.406 40 0 CDABLO CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257325745 362587062 /nfs/dbraw/zinc/58/70/62/362587062.db2.gz WUFNXAJBELRPKY-CQSZACIVSA-N 1 2 299.378 1.406 40 0 CDABLO Cc1ccnc(N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000035315323 356069711 /nfs/dbraw/zinc/06/97/11/356069711.db2.gz RDNPEFORSRLJBC-UHFFFAOYSA-N 1 2 255.325 1.507 40 0 CDABLO COc1cc2c(cc1OC)[C@H](O)C[N@H+](CCC(C)=O)C2 ZINC000024717592 356660517 /nfs/dbraw/zinc/66/05/17/356660517.db2.gz OXOIRASLXWAYFP-CYBMUJFWSA-N 1 2 279.336 1.532 40 0 CDABLO COc1cc2c(cc1OC)[C@H](O)C[N@@H+](CCC(C)=O)C2 ZINC000024717592 356660521 /nfs/dbraw/zinc/66/05/21/356660521.db2.gz OXOIRASLXWAYFP-CYBMUJFWSA-N 1 2 279.336 1.532 40 0 CDABLO CCOC(=O)[C@H]1SC(=S)N(c2ccccc2)[C@H]1[NH3+] ZINC000031749717 356769113 /nfs/dbraw/zinc/76/91/13/356769113.db2.gz RPPXQDPTSJOUGN-VHSXEESVSA-N 1 2 282.390 1.741 40 0 CDABLO c1cc([C@@H]2CCC[N@H+]2Cc2cnn3cccnc23)n[nH]1 ZINC000072366821 357830716 /nfs/dbraw/zinc/83/07/16/357830716.db2.gz HLGFBZCWPVBDOX-ZDUSSCGKSA-N 1 2 268.324 1.790 40 0 CDABLO c1cc([C@@H]2CCC[N@@H+]2Cc2cnn3cccnc23)n[nH]1 ZINC000072366821 357830719 /nfs/dbraw/zinc/83/07/19/357830719.db2.gz HLGFBZCWPVBDOX-ZDUSSCGKSA-N 1 2 268.324 1.790 40 0 CDABLO C[N@@H+]1C[C@@H]2C[NH+](Cc3nccs3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185148 358713966 /nfs/dbraw/zinc/71/39/66/358713966.db2.gz MCECNWPGPWLREB-RISCZKNCSA-N 1 2 295.408 1.372 40 0 CDABLO C[N@H+]1C[C@@H]2C[NH+](Cc3nccs3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185148 358713970 /nfs/dbraw/zinc/71/39/70/358713970.db2.gz MCECNWPGPWLREB-RISCZKNCSA-N 1 2 295.408 1.372 40 0 CDABLO C[NH+]1C[C@@H]2C[N@H+](Cc3nccs3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185148 358713973 /nfs/dbraw/zinc/71/39/73/358713973.db2.gz MCECNWPGPWLREB-RISCZKNCSA-N 1 2 295.408 1.372 40 0 CDABLO C[NH+]1C[C@@H]2C[N@@H+](Cc3nccs3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185148 358713977 /nfs/dbraw/zinc/71/39/77/358713977.db2.gz MCECNWPGPWLREB-RISCZKNCSA-N 1 2 295.408 1.372 40 0 CDABLO c1cnn(Cc2cn3c(n2)C[N@@H+](Cc2ccncc2)CC3)c1 ZINC000096197331 358715781 /nfs/dbraw/zinc/71/57/81/358715781.db2.gz DDTPIBKKKVUWOR-UHFFFAOYSA-N 1 2 294.362 1.539 40 0 CDABLO c1cnn(Cc2cn3c(n2)C[N@H+](Cc2ccncc2)CC3)c1 ZINC000096197331 358715786 /nfs/dbraw/zinc/71/57/86/358715786.db2.gz DDTPIBKKKVUWOR-UHFFFAOYSA-N 1 2 294.362 1.539 40 0 CDABLO CCOCC(=O)N1CCN(CC2CC2)c2[nH+]cccc2C1 ZINC000096198937 358717358 /nfs/dbraw/zinc/71/73/58/358717358.db2.gz VPQZPARZNBLYLX-UHFFFAOYSA-N 1 2 289.379 1.677 40 0 CDABLO COC[C@H]1Cn2c[nH+]cc2CN(C(=O)Cc2ccco2)C1 ZINC000096206514 358720535 /nfs/dbraw/zinc/72/05/35/358720535.db2.gz UGCRRNOXHSHRDQ-GFCCVEGCSA-N 1 2 289.335 1.324 40 0 CDABLO Cc1ccnc(NC(=S)NCCCn2cc[nH+]c2)n1 ZINC000225175056 359554749 /nfs/dbraw/zinc/55/47/49/359554749.db2.gz BHCNBKHGXAZEBB-UHFFFAOYSA-N 1 2 276.369 1.358 40 0 CDABLO O=C1CNc2nc[nH+]c(NCc3cccs3)c2N1 ZINC000041121539 359683726 /nfs/dbraw/zinc/68/37/26/359683726.db2.gz RDIVSFVHWPKVTB-UHFFFAOYSA-N 1 2 261.310 1.514 40 0 CDABLO O=C1CNc2[nH+]cnc(NCc3cccs3)c2N1 ZINC000041121539 359683729 /nfs/dbraw/zinc/68/37/29/359683729.db2.gz RDIVSFVHWPKVTB-UHFFFAOYSA-N 1 2 261.310 1.514 40 0 CDABLO O=C(NCCn1cc[nH+]c1)N[C@H]1CCCCC[C@H]1CO ZINC000130870174 361013612 /nfs/dbraw/zinc/01/36/12/361013612.db2.gz HYUDDKZIVRSONV-STQMWFEESA-N 1 2 280.372 1.124 40 0 CDABLO c1cn2ccnc(N3CC[NH+](Cc4cccnc4)CC3)c2n1 ZINC000306139535 374970541 /nfs/dbraw/zinc/97/05/41/374970541.db2.gz SZUMBZMQLXGANQ-UHFFFAOYSA-N 1 2 294.362 1.447 40 0 CDABLO Cc1cc[nH+]cc1N1CCN(C(=O)c2cccnc2)CC1 ZINC000225599282 375170340 /nfs/dbraw/zinc/17/03/40/375170340.db2.gz JRTIWTHRWSXUKY-UHFFFAOYSA-N 1 2 282.347 1.747 40 0 CDABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3cncnc3)C2)[nH+]1 ZINC000257205492 190011768 /nfs/dbraw/zinc/01/17/68/190011768.db2.gz AZICSWIKSBYSIX-JTQLQIEISA-N 1 2 257.297 1.138 40 0 CDABLO Cc1ccnc([C@@H]2CN(Cc3[nH]cc[nH+]3)CCO2)n1 ZINC000257213810 190013492 /nfs/dbraw/zinc/01/34/92/190013492.db2.gz CJECGWXSVLDTFM-NSHDSACASA-N 1 2 259.313 1.082 40 0 CDABLO Cc1cn(C)c([C@H]2C[N@H+](Cc3ccnc(C)n3)CCO2)n1 ZINC000257224389 190015500 /nfs/dbraw/zinc/01/55/00/190015500.db2.gz FBQISIZEBSZGDL-CQSZACIVSA-N 1 2 287.367 1.400 40 0 CDABLO Cc1cn(C)c([C@H]2C[N@@H+](Cc3ccnc(C)n3)CCO2)n1 ZINC000257224389 190015501 /nfs/dbraw/zinc/01/55/01/190015501.db2.gz FBQISIZEBSZGDL-CQSZACIVSA-N 1 2 287.367 1.400 40 0 CDABLO COc1ncccc1C(=O)N1CC[C@@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257236997 190017509 /nfs/dbraw/zinc/01/75/09/190017509.db2.gz HETVBFXYIRTROY-LLVKDONJSA-N 1 2 286.335 1.751 40 0 CDABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2cccc(=O)[nH]2)[nH+]1 ZINC000257239210 190018057 /nfs/dbraw/zinc/01/80/57/190018057.db2.gz HOKIETQMLRGPPA-LLVKDONJSA-N 1 2 272.308 1.796 40 0 CDABLO C[NH+]1CCC(c2ccnc(Nc3ncccn3)n2)CC1 ZINC000257259294 190021723 /nfs/dbraw/zinc/02/17/23/190021723.db2.gz KXRRBTRGQZSMMB-UHFFFAOYSA-N 1 2 270.340 1.819 40 0 CDABLO CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1cnn(C)c1 ZINC000096057789 286216684 /nfs/dbraw/zinc/21/66/84/286216684.db2.gz JQZQNAICLNAVRP-BFHYXJOUSA-N 1 2 265.357 1.188 40 0 CDABLO CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1cnn(C)c1 ZINC000096057789 286216685 /nfs/dbraw/zinc/21/66/85/286216685.db2.gz JQZQNAICLNAVRP-BFHYXJOUSA-N 1 2 265.357 1.188 40 0 CDABLO O=S(=O)(Cc1ccccc1)NCCc1c[nH+]c[nH]1 ZINC000006622717 170219909 /nfs/dbraw/zinc/21/99/09/170219909.db2.gz CXTVOCBOZDKVHS-UHFFFAOYSA-N 1 2 265.338 1.072 40 0 CDABLO O=S(=O)(Cc1ccccc1)NCCc1c[nH]c[nH+]1 ZINC000006622717 170219910 /nfs/dbraw/zinc/21/99/10/170219910.db2.gz CXTVOCBOZDKVHS-UHFFFAOYSA-N 1 2 265.338 1.072 40 0 CDABLO Cn1nccc1C[NH2+]Cc1cc(C(F)(F)F)n(C)n1 ZINC000020349928 171155180 /nfs/dbraw/zinc/15/51/80/171155180.db2.gz GIGKMNGOZWSVPQ-UHFFFAOYSA-N 1 2 273.262 1.462 40 0 CDABLO CC(=O)N1CC[NH+]([C@H](C)C(=O)NCC2CCCCC2)CC1 ZINC000043304801 175003415 /nfs/dbraw/zinc/00/34/15/175003415.db2.gz WRLOGNJSEPLCPU-CYBMUJFWSA-N 1 2 295.427 1.236 40 0 CDABLO CC(C)[N@@H+]1CCC[C@H](c2ncncc2S(C)(=O)=O)C1 ZINC000072356507 176375764 /nfs/dbraw/zinc/37/57/64/176375764.db2.gz KPUNBPQCPGNUBU-NSHDSACASA-N 1 2 283.397 1.468 40 0 CDABLO CC(C)[N@H+]1CCC[C@H](c2ncncc2S(C)(=O)=O)C1 ZINC000072356507 176375766 /nfs/dbraw/zinc/37/57/66/176375766.db2.gz KPUNBPQCPGNUBU-NSHDSACASA-N 1 2 283.397 1.468 40 0 CDABLO Cc1cc(N2CCC[C@@H]2c2cncc(N(C)C)n2)nc[nH+]1 ZINC000072364137 176378980 /nfs/dbraw/zinc/37/89/80/176378980.db2.gz OSELDQBFERHFLG-CYBMUJFWSA-N 1 2 284.367 1.983 40 0 CDABLO Cc1cncc([C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000072380910 176387060 /nfs/dbraw/zinc/38/70/60/176387060.db2.gz MNQSIQQPJXIIOH-LBPRGKRZSA-N 1 2 257.341 1.888 40 0 CDABLO Cc1cncc([C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000072380910 176387061 /nfs/dbraw/zinc/38/70/61/176387061.db2.gz MNQSIQQPJXIIOH-LBPRGKRZSA-N 1 2 257.341 1.888 40 0 CDABLO Cn1cc[nH+]c1CNC(=O)c1cc(-c2cccnc2)n[nH]1 ZINC000072390449 176393703 /nfs/dbraw/zinc/39/37/03/176393703.db2.gz TVUOJWURKGUSJG-UHFFFAOYSA-N 1 2 282.307 1.135 40 0 CDABLO COC[C@@H]1Cn2cc[nH+]c2CN(C(=O)c2ccco2)C1 ZINC000096059081 277255556 /nfs/dbraw/zinc/25/55/56/277255556.db2.gz OJBIOTAVYQBBDN-LLVKDONJSA-N 1 2 275.308 1.395 40 0 CDABLO Cc1ncc(C[N@@H+](C)[C@@H](C)C(=O)NC[C@@H]2CCCO2)s1 ZINC000079354053 362164668 /nfs/dbraw/zinc/16/46/68/362164668.db2.gz HYOWBOWGZJKPLI-JQWIXIFHSA-N 1 2 297.424 1.567 40 0 CDABLO Cc1ncc(C[N@H+](C)[C@@H](C)C(=O)NC[C@@H]2CCCO2)s1 ZINC000079354053 362164678 /nfs/dbraw/zinc/16/46/78/362164678.db2.gz HYOWBOWGZJKPLI-JQWIXIFHSA-N 1 2 297.424 1.567 40 0 CDABLO COCCC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130907467 136388916 /nfs/dbraw/zinc/38/89/16/136388916.db2.gz UOBAWLPONTWFML-LBPRGKRZSA-N 1 2 263.341 1.203 40 0 CDABLO Cc1cc(Cl)ccc1C[NH+]1CCN([C@@H](C)C(N)=O)CC1 ZINC000136200274 362321797 /nfs/dbraw/zinc/32/17/97/362321797.db2.gz FJMBEVNOUJIVCW-LBPRGKRZSA-N 1 2 295.814 1.640 40 0 CDABLO Cc1cc(Cl)ccc1CN1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC000136200274 362321801 /nfs/dbraw/zinc/32/18/01/362321801.db2.gz FJMBEVNOUJIVCW-LBPRGKRZSA-N 1 2 295.814 1.640 40 0 CDABLO O=C(CCn1cc[nH+]c1)N[C@H]1CCCN(c2ccccn2)C1 ZINC000257308282 362585834 /nfs/dbraw/zinc/58/58/34/362585834.db2.gz TWDSQFBERGOADT-AWEZNQCLSA-N 1 2 299.378 1.453 40 0 CDABLO CN(C(=O)c1ccn(C)n1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257310165 362585961 /nfs/dbraw/zinc/58/59/61/362585961.db2.gz UDYCQPRVYUYXKK-ZDUSSCGKSA-N 1 2 299.378 1.556 40 0 CDABLO CCCS(=O)(=O)N1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000062109070 357468361 /nfs/dbraw/zinc/46/83/61/357468361.db2.gz VYVLAHUKEMIREF-AWEZNQCLSA-N 1 2 282.409 1.715 40 0 CDABLO CCCS(=O)(=O)N1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000062109070 357468367 /nfs/dbraw/zinc/46/83/67/357468367.db2.gz VYVLAHUKEMIREF-AWEZNQCLSA-N 1 2 282.409 1.715 40 0 CDABLO c1coc(CN2Cc3[nH+]ccn3C[C@H](Cn3cncn3)C2)c1 ZINC000096188606 358715246 /nfs/dbraw/zinc/71/52/46/358715246.db2.gz OEOIEDQFYLQNNM-CYBMUJFWSA-N 1 2 298.350 1.400 40 0 CDABLO c1coc(C[N@H+]2Cc3nccn3C[C@H](Cn3cncn3)C2)c1 ZINC000096188606 358715248 /nfs/dbraw/zinc/71/52/48/358715248.db2.gz OEOIEDQFYLQNNM-CYBMUJFWSA-N 1 2 298.350 1.400 40 0 CDABLO c1coc(C[N@@H+]2Cc3nccn3C[C@H](Cn3cncn3)C2)c1 ZINC000096188606 358715249 /nfs/dbraw/zinc/71/52/49/358715249.db2.gz OEOIEDQFYLQNNM-CYBMUJFWSA-N 1 2 298.350 1.400 40 0 CDABLO COCC[NH+](CCOC)Cc1nnc(-c2ccccc2)o1 ZINC000024193232 373911540 /nfs/dbraw/zinc/91/15/40/373911540.db2.gz NIHZPNUSLIEZOR-UHFFFAOYSA-N 1 2 291.351 1.831 40 0 CDABLO CC[C@H](C)CC(=O)N1CC[NH+]([C@@H](C)C(=O)NC(C)C)CC1 ZINC000225629819 375174207 /nfs/dbraw/zinc/17/42/07/375174207.db2.gz CCJDANGJZKDFFN-KBPBESRZSA-N 1 2 297.443 1.480 40 0 CDABLO Cn1cc(C[NH2+]Cc2ccn(CC(F)(F)F)n2)cn1 ZINC000256050444 190002854 /nfs/dbraw/zinc/00/28/54/190002854.db2.gz FATNMXYIHSDFRL-UHFFFAOYSA-N 1 2 273.262 1.469 40 0 CDABLO CC(=O)N1CCN(Cc2[nH+]ccn2C)[C@@H](c2ccccc2)C1 ZINC000257246810 190019048 /nfs/dbraw/zinc/01/90/48/190019048.db2.gz IVXYMMJHIGLZIF-MRXNPFEDSA-N 1 2 298.390 1.826 40 0 CDABLO OC1(C[NH+]2CCC(Cc3cccnc3)CC2)CCOCC1 ZINC000257325088 190033921 /nfs/dbraw/zinc/03/39/21/190033921.db2.gz WRJYLGLPOZWVGY-UHFFFAOYSA-N 1 2 290.407 1.878 40 0 CDABLO Cc1cc(C)nc([C@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000257325620 190034281 /nfs/dbraw/zinc/03/42/81/190034281.db2.gz WTSOFSBVTPHCIC-AWEZNQCLSA-N 1 2 274.412 1.977 40 0 CDABLO Cc1cc(C)nc([C@H]2CC[N@H+](C3CCN(C)CC3)C2)n1 ZINC000257325620 190034282 /nfs/dbraw/zinc/03/42/82/190034282.db2.gz WTSOFSBVTPHCIC-AWEZNQCLSA-N 1 2 274.412 1.977 40 0 CDABLO CC(C)Nc1ncccc1C(=O)NCc1[nH]cc[nH+]1 ZINC000081385790 177793655 /nfs/dbraw/zinc/79/36/55/177793655.db2.gz OPQMCUNRFFAAOY-UHFFFAOYSA-N 1 2 259.313 1.555 40 0 CDABLO COc1ccc(OC)c([C@H](C[NH3+])[N@@H+]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000248246534 286344461 /nfs/dbraw/zinc/34/44/61/286344461.db2.gz MISAPEIPIMQEJA-MFKMUULPSA-N 1 2 294.351 1.110 40 0 CDABLO COc1ccc(OC)c([C@H](C[NH3+])[N@H+]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000248246534 286344462 /nfs/dbraw/zinc/34/44/62/286344462.db2.gz MISAPEIPIMQEJA-MFKMUULPSA-N 1 2 294.351 1.110 40 0 CDABLO Cc1[nH+]c2ccccc2n1CC(=O)NC[C@@H]1CCCOC1 ZINC000019286702 170772627 /nfs/dbraw/zinc/77/26/27/170772627.db2.gz ODRVLOBBAXVDOL-ZDUSSCGKSA-N 1 2 287.363 1.888 40 0 CDABLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1nc2ccccc2o1 ZINC000040465857 174274745 /nfs/dbraw/zinc/27/47/45/174274745.db2.gz GFMDJQJNLPUWRZ-NSHDSACASA-N 1 2 259.309 1.668 40 0 CDABLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1nc2ccccc2o1 ZINC000040465857 174274747 /nfs/dbraw/zinc/27/47/47/174274747.db2.gz GFMDJQJNLPUWRZ-NSHDSACASA-N 1 2 259.309 1.668 40 0 CDABLO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000072351371 176374148 /nfs/dbraw/zinc/37/41/48/176374148.db2.gz YIRHFBLWYFYVIX-AWEZNQCLSA-N 1 2 299.378 1.844 40 0 CDABLO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+]1Cc1cccnc1 ZINC000072351371 176374149 /nfs/dbraw/zinc/37/41/49/176374149.db2.gz YIRHFBLWYFYVIX-AWEZNQCLSA-N 1 2 299.378 1.844 40 0 CDABLO Cc1cc(CNc2cc([C@@H]3COCC[NH2+]3)nc(C)n2)on1 ZINC000072366234 176381081 /nfs/dbraw/zinc/38/10/81/176381081.db2.gz OKTSWXPWQWVULM-ZDUSSCGKSA-N 1 2 289.339 1.354 40 0 CDABLO Cc1nc(C[NH+]2CCC(C)(c3cc[nH]n3)CC2)no1 ZINC000072386274 176391487 /nfs/dbraw/zinc/39/14/87/176391487.db2.gz ZJZWOXWZOUWUCY-UHFFFAOYSA-N 1 2 261.329 1.655 40 0 CDABLO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1F ZINC000070243055 723205747 /nfs/dbraw/zinc/20/57/47/723205747.db2.gz DKIWWPILPKLTMK-UHFFFAOYSA-N 1 2 252.289 1.222 40 0 CDABLO CC(=O)N1CCC[C@]2(C1)C[N@H+](Cc1ccsc1)CCO2 ZINC000096049102 185072422 /nfs/dbraw/zinc/07/24/22/185072422.db2.gz SVWIMXWJGPOUEA-OAHLLOKOSA-N 1 2 294.420 1.961 40 0 CDABLO CC(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1ccsc1)CCO2 ZINC000096049102 185072423 /nfs/dbraw/zinc/07/24/23/185072423.db2.gz SVWIMXWJGPOUEA-OAHLLOKOSA-N 1 2 294.420 1.961 40 0 CDABLO CCCC(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NCC2CC2)C1 ZINC000585095885 342211762 /nfs/dbraw/zinc/21/17/62/342211762.db2.gz SCLNSZWYABOBNR-ZDUSSCGKSA-N 1 2 290.367 1.093 40 0 CDABLO CNC(=O)C[C@H]1C[N@H+](Cc2ccccc2C)Cc2ccnn21 ZINC000585112595 342213515 /nfs/dbraw/zinc/21/35/15/342213515.db2.gz RRQLKHBGXDLRCB-INIZCTEOSA-N 1 2 298.390 1.885 40 0 CDABLO CNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2C)Cc2ccnn21 ZINC000585112595 342213516 /nfs/dbraw/zinc/21/35/16/342213516.db2.gz RRQLKHBGXDLRCB-INIZCTEOSA-N 1 2 298.390 1.885 40 0 CDABLO Cc1c[nH]c([C@H]2CN(c3cc[nH+]c(C)n3)CCO2)n1 ZINC000585181438 342232658 /nfs/dbraw/zinc/23/26/58/342232658.db2.gz QCVUPZYKCPTVFP-LLVKDONJSA-N 1 2 259.313 1.394 40 0 CDABLO [NH3+]C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000253614367 362443177 /nfs/dbraw/zinc/44/31/77/362443177.db2.gz OFYQCQTXNGVHCI-ZYHUDNBSSA-N 1 2 268.744 1.746 40 0 CDABLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000154911657 188169872 /nfs/dbraw/zinc/16/98/72/188169872.db2.gz ZTDGIWJOWHJBPM-LLVKDONJSA-N 1 2 280.372 1.899 40 0 CDABLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000154911657 188169874 /nfs/dbraw/zinc/16/98/74/188169874.db2.gz ZTDGIWJOWHJBPM-LLVKDONJSA-N 1 2 280.372 1.899 40 0 CDABLO C[NH+]1CCN(C(=O)[C@]2(C)CC(c3ccccc3)=NO2)CC1 ZINC000064555351 282920201 /nfs/dbraw/zinc/92/02/01/282920201.db2.gz RAIWCVLCRJHNFM-INIZCTEOSA-N 1 2 287.363 1.344 40 0 CDABLO O=C(Nc1cnsn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000004751386 356043637 /nfs/dbraw/zinc/04/36/37/356043637.db2.gz YFEBVPFTDGEEAF-UHFFFAOYSA-N 1 2 290.352 1.287 40 0 CDABLO COC[C@@H]1Cn2cc[nH+]c2CN(C(=O)c2ccc[nH]2)C1 ZINC000096187762 358715513 /nfs/dbraw/zinc/71/55/13/358715513.db2.gz GCNADUCBCVTKEA-LLVKDONJSA-N 1 2 274.324 1.130 40 0 CDABLO O=C([O-])COc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000010314141 374354457 /nfs/dbraw/zinc/35/44/57/374354457.db2.gz ZQYSUCZJUNYBAD-UHFFFAOYSA-N 1 2 289.335 1.526 40 0 CDABLO CN(C)c1nccnc1[C@@H]1C[N@@H+](C2CCOCC2)CCO1 ZINC000257332135 190035757 /nfs/dbraw/zinc/03/57/57/190035757.db2.gz XVWRBPFRORUKFY-ZDUSSCGKSA-N 1 2 292.383 1.095 40 0 CDABLO CN(C)c1nccnc1[C@@H]1C[N@H+](C2CCOCC2)CCO1 ZINC000257332135 190035758 /nfs/dbraw/zinc/03/57/58/190035758.db2.gz XVWRBPFRORUKFY-ZDUSSCGKSA-N 1 2 292.383 1.095 40 0 CDABLO Cc1nn(C)cc1[C@@H](C)Nc1nc[nH+]c2c1NC(=O)CN2 ZINC000041121425 379334242 /nfs/dbraw/zinc/33/42/42/379334242.db2.gz TZAKRRCXORWKDZ-SSDOTTSWSA-N 1 2 287.327 1.056 40 0 CDABLO Cc1nn(C)cc1[C@@H](C)Nc1[nH+]cnc2c1NC(=O)CN2 ZINC000041121425 379334248 /nfs/dbraw/zinc/33/42/48/379334248.db2.gz TZAKRRCXORWKDZ-SSDOTTSWSA-N 1 2 287.327 1.056 40 0 CDABLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCc2ccccc2O1 ZINC000333117915 391855730 /nfs/dbraw/zinc/85/57/30/391855730.db2.gz HSPJXJLXTDXVGZ-BLLLJJGKSA-N 1 2 297.358 1.777 40 0 CDABLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCc2ccccc2O1 ZINC000333117915 391855732 /nfs/dbraw/zinc/85/57/32/391855732.db2.gz HSPJXJLXTDXVGZ-BLLLJJGKSA-N 1 2 297.358 1.777 40 0 CDABLO Cc1[nH+]c2n(c1C)CCN(C(=O)N[C@@H]1CSC1(C)C)C2 ZINC000374955571 160329135 /nfs/dbraw/zinc/32/91/35/160329135.db2.gz ZEKMHDMUQKGBGM-LLVKDONJSA-N 1 2 294.424 1.919 40 0 CDABLO Cc1nn(C)cc1C[NH2+]Cc1cc(C(F)(F)F)n(C)n1 ZINC000020349853 171155375 /nfs/dbraw/zinc/15/53/75/171155375.db2.gz KLNJHBANYYDLEZ-UHFFFAOYSA-N 1 2 287.289 1.771 40 0 CDABLO COC(=O)C1CC[NH+](Cc2nc(C)cs2)CC1 ZINC000040165636 174197549 /nfs/dbraw/zinc/19/75/49/174197549.db2.gz BESWFZWYPSZGNF-UHFFFAOYSA-N 1 2 254.355 1.837 40 0 CDABLO CNc1cncc([C@H]2CCC[N@@H+]2Cc2ccnc(C)n2)n1 ZINC000072385903 176391125 /nfs/dbraw/zinc/39/11/25/176391125.db2.gz KHOWEZKGGFODGN-CQSZACIVSA-N 1 2 284.367 1.954 40 0 CDABLO CNc1cncc([C@H]2CCC[N@H+]2Cc2ccnc(C)n2)n1 ZINC000072385903 176391127 /nfs/dbraw/zinc/39/11/27/176391127.db2.gz KHOWEZKGGFODGN-CQSZACIVSA-N 1 2 284.367 1.954 40 0 CDABLO Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC000257338634 301033812 /nfs/dbraw/zinc/03/38/12/301033812.db2.gz YYGQKRWHQADKMT-ZDUSSCGKSA-N 1 2 276.384 1.868 40 0 CDABLO CCC[N@@H+]1CCc2oc(C(=O)N[C@@H](C)COC)nc2C1 ZINC000585112184 342213371 /nfs/dbraw/zinc/21/33/71/342213371.db2.gz MPGSQBXPAICNGW-JTQLQIEISA-N 1 2 281.356 1.207 40 0 CDABLO CCC[N@H+]1CCc2oc(C(=O)N[C@@H](C)COC)nc2C1 ZINC000585112184 342213372 /nfs/dbraw/zinc/21/33/72/342213372.db2.gz MPGSQBXPAICNGW-JTQLQIEISA-N 1 2 281.356 1.207 40 0 CDABLO CNC(=O)C[C@@H]1C[N@H+](Cc2cccc(C)c2)Cc2ccnn21 ZINC000585112307 342213649 /nfs/dbraw/zinc/21/36/49/342213649.db2.gz OHMLDZGLEFOOOE-MRXNPFEDSA-N 1 2 298.390 1.885 40 0 CDABLO CNC(=O)C[C@@H]1C[N@@H+](Cc2cccc(C)c2)Cc2ccnn21 ZINC000585112307 342213650 /nfs/dbraw/zinc/21/36/50/342213650.db2.gz OHMLDZGLEFOOOE-MRXNPFEDSA-N 1 2 298.390 1.885 40 0 CDABLO Cc1cc([C@@H]2CN(c3cc[nH+]c(C)n3)CCO2)nc(C)n1 ZINC000257206625 362576484 /nfs/dbraw/zinc/57/64/84/362576484.db2.gz BEGWLZVXDAWLOX-AWEZNQCLSA-N 1 2 285.351 1.770 40 0 CDABLO CN(C(=O)c1cnn(C)c1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257236533 362579717 /nfs/dbraw/zinc/57/97/17/362579717.db2.gz HCPOTWQPQOYKAA-AWEZNQCLSA-N 1 2 299.378 1.556 40 0 CDABLO Cc1n[nH]cc1C[N@@H+]1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000333881414 363202743 /nfs/dbraw/zinc/20/27/43/363202743.db2.gz UPGFBZUBTTXDFU-OAHLLOKOSA-N 1 2 290.411 1.989 40 0 CDABLO Cc1n[nH]cc1C[N@H+]1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000333881414 363202748 /nfs/dbraw/zinc/20/27/48/363202748.db2.gz UPGFBZUBTTXDFU-OAHLLOKOSA-N 1 2 290.411 1.989 40 0 CDABLO C[C@H](Cc1ccccn1)N(C)C(=O)[C@H](C)n1cc[nH+]c1 ZINC000019456915 356486720 /nfs/dbraw/zinc/48/67/20/356486720.db2.gz GAOZHBIRPMGNLE-OLZOCXBDSA-N 1 2 272.352 1.929 40 0 CDABLO CC(C)c1nnc([C@@H]2COCCN2Cc2[nH+]ccn2C)o1 ZINC000328764321 202044843 /nfs/dbraw/zinc/04/48/43/202044843.db2.gz ORFPSQVIINSVKE-NSHDSACASA-N 1 2 291.355 1.500 40 0 CDABLO Nc1ccc(C[C@H]2CCCN(c3cccc[nH+]3)C2)nn1 ZINC000072387267 357831710 /nfs/dbraw/zinc/83/17/10/357831710.db2.gz ZHAXJSWOAWZZSB-GFCCVEGCSA-N 1 2 269.352 1.913 40 0 CDABLO CCO[C@H]1C[N@H+](Cc2cc(C)on2)[C@@H]2CCCO[C@@H]21 ZINC000096187020 358714925 /nfs/dbraw/zinc/71/49/25/358714925.db2.gz MQBXAXJDSUGXDK-RDBSUJKOSA-N 1 2 266.341 1.751 40 0 CDABLO CCO[C@H]1C[N@@H+](Cc2cc(C)on2)[C@@H]2CCCO[C@@H]21 ZINC000096187020 358714926 /nfs/dbraw/zinc/71/49/26/358714926.db2.gz MQBXAXJDSUGXDK-RDBSUJKOSA-N 1 2 266.341 1.751 40 0 CDABLO Cc1occc1C(=O)N1C[C@@H]2COC[C@H](C1)[N@@H+]2CC(C)C ZINC000096252531 358728064 /nfs/dbraw/zinc/72/80/64/358728064.db2.gz XIGDETAGHYCELE-OKILXGFUSA-N 1 2 292.379 1.769 40 0 CDABLO Cc1occc1C(=O)N1C[C@@H]2COC[C@H](C1)[N@H+]2CC(C)C ZINC000096252531 358728066 /nfs/dbraw/zinc/72/80/66/358728066.db2.gz XIGDETAGHYCELE-OKILXGFUSA-N 1 2 292.379 1.769 40 0 CDABLO C[NH+]1CCN(C(=O)c2snnc2-c2cccs2)CC1 ZINC000225789741 359616859 /nfs/dbraw/zinc/61/68/59/359616859.db2.gz QMZDCTPRAXSRNR-UHFFFAOYSA-N 1 2 294.405 1.654 40 0 CDABLO C[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)C(=O)OC(C)(C)C ZINC000235518878 360162054 /nfs/dbraw/zinc/16/20/54/360162054.db2.gz SINCIOFMDCMHQQ-ZMLRMANQSA-N 1 2 255.358 1.874 40 0 CDABLO CN(C)C(=O)C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000181567099 189301362 /nfs/dbraw/zinc/30/13/62/189301362.db2.gz VPOZXNATFMYTDH-AWEZNQCLSA-N 1 2 262.353 1.018 40 0 CDABLO CN(C)C(=O)C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000181567099 189301363 /nfs/dbraw/zinc/30/13/63/189301363.db2.gz VPOZXNATFMYTDH-AWEZNQCLSA-N 1 2 262.353 1.018 40 0 CDABLO C[C@@H]([C@@H](C(=O)[O-])[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000019366261 296215092 /nfs/dbraw/zinc/21/50/92/296215092.db2.gz TYOYGBAMBMYYDQ-STQMWFEESA-N 1 2 254.374 1.800 40 0 CDABLO COC(=O)[C@H](F)C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000225468380 374467974 /nfs/dbraw/zinc/46/79/74/374467974.db2.gz CPZLIZKMPPFBBK-QWHCGFSZSA-N 1 2 285.290 1.790 40 0 CDABLO COC(=O)[C@H](F)C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000225468380 374467984 /nfs/dbraw/zinc/46/79/84/374467984.db2.gz CPZLIZKMPPFBBK-QWHCGFSZSA-N 1 2 285.290 1.790 40 0 CDABLO COc1cc(CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)ccn1 ZINC000225513907 374627945 /nfs/dbraw/zinc/62/79/45/374627945.db2.gz QSPJIBNVRKENDP-NSHDSACASA-N 1 2 286.335 1.235 40 0 CDABLO COc1cc(CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)ccn1 ZINC000225513907 374627951 /nfs/dbraw/zinc/62/79/51/374627951.db2.gz QSPJIBNVRKENDP-NSHDSACASA-N 1 2 286.335 1.235 40 0 CDABLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccco1)C2 ZINC000225517059 374647671 /nfs/dbraw/zinc/64/76/71/374647671.db2.gz MMNDKFPCQKQWHE-SNVBAGLBSA-N 1 2 259.309 1.732 40 0 CDABLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccco1)CC2 ZINC000225517059 374647675 /nfs/dbraw/zinc/64/76/75/374647675.db2.gz MMNDKFPCQKQWHE-SNVBAGLBSA-N 1 2 259.309 1.732 40 0 CDABLO CNc1cc([C@@H]2CCCN2C(=O)Cn2cc[nH+]c2)ccn1 ZINC000257207486 190011701 /nfs/dbraw/zinc/01/17/01/190011701.db2.gz BHZIADYBAICFKM-ZDUSSCGKSA-N 1 2 285.351 1.684 40 0 CDABLO Cc1n[nH]cc1C[N@@H+]1CCO[C@@H](c2cccc(N)n2)C1 ZINC000257222251 190014646 /nfs/dbraw/zinc/01/46/46/190014646.db2.gz DSONCHSWTYEVFO-CYBMUJFWSA-N 1 2 273.340 1.269 40 0 CDABLO Cc1n[nH]cc1C[N@H+]1CCO[C@@H](c2cccc(N)n2)C1 ZINC000257222251 190014647 /nfs/dbraw/zinc/01/46/47/190014647.db2.gz DSONCHSWTYEVFO-CYBMUJFWSA-N 1 2 273.340 1.269 40 0 CDABLO Cc1cn(C)c([C@@H]2C[N@H+](Cc3ccnc(C)n3)CCO2)n1 ZINC000257224388 190015166 /nfs/dbraw/zinc/01/51/66/190015166.db2.gz FBQISIZEBSZGDL-AWEZNQCLSA-N 1 2 287.367 1.400 40 0 CDABLO Cc1cn(C)c([C@@H]2C[N@@H+](Cc3ccnc(C)n3)CCO2)n1 ZINC000257224388 190015167 /nfs/dbraw/zinc/01/51/67/190015167.db2.gz FBQISIZEBSZGDL-AWEZNQCLSA-N 1 2 287.367 1.400 40 0 CDABLO COc1ncc(CN2CCC[C@@H]2c2[nH]cc(C)[nH+]2)cn1 ZINC000257236759 190017519 /nfs/dbraw/zinc/01/75/19/190017519.db2.gz HDQHGCGPYBVMRB-GFCCVEGCSA-N 1 2 273.340 1.854 40 0 CDABLO O=C(Cn1cc[nH+]c1)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000257242702 190018525 /nfs/dbraw/zinc/01/85/25/190018525.db2.gz IDSXXXOXOCTCHK-GFCCVEGCSA-N 1 2 259.313 1.360 40 0 CDABLO Cc1c[nH]c([C@@H]2CCN(C(=O)CCn3nccc3C)C2)[nH+]1 ZINC000257270312 190023794 /nfs/dbraw/zinc/02/37/94/190023794.db2.gz MTQUVLQOVOPRPT-CYBMUJFWSA-N 1 2 287.367 1.629 40 0 CDABLO CCS(=O)(=O)N1CCC[C@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000257309327 190031520 /nfs/dbraw/zinc/03/15/20/190031520.db2.gz UAMWDFYRPGIRBL-ZDUSSCGKSA-N 1 2 297.424 1.677 40 0 CDABLO Cc1cncc([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)n1 ZINC000257303752 190030718 /nfs/dbraw/zinc/03/07/18/190030718.db2.gz SINWCMHHGFJQLZ-AWEZNQCLSA-N 1 2 299.378 1.778 40 0 CDABLO Cc1cnc(C[N@@H+]2CCC[C@@H]2c2cnccn2)cn1 ZINC000257321267 190033558 /nfs/dbraw/zinc/03/35/58/190033558.db2.gz WAWXAZGLKLLBCL-CQSZACIVSA-N 1 2 255.325 1.912 40 0 CDABLO Cc1cnc(C[N@H+]2CCC[C@@H]2c2cnccn2)cn1 ZINC000257321267 190033559 /nfs/dbraw/zinc/03/35/59/190033559.db2.gz WAWXAZGLKLLBCL-CQSZACIVSA-N 1 2 255.325 1.912 40 0 CDABLO Cn1nccc1C(=O)N1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000257326640 190035151 /nfs/dbraw/zinc/03/51/51/190035151.db2.gz WYAKUKALUQHSGM-HNNXBMFYSA-N 1 2 284.363 1.549 40 0 CDABLO Cn1nccc1C(=O)N1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000257326640 190035152 /nfs/dbraw/zinc/03/51/52/190035152.db2.gz WYAKUKALUQHSGM-HNNXBMFYSA-N 1 2 284.363 1.549 40 0 CDABLO C[C@@]1(C(N)=O)C[N@H+](Cc2ccc(Cl)cc2)CCO1 ZINC000072379441 176386699 /nfs/dbraw/zinc/38/66/99/176386699.db2.gz UJSZMKDKHRNQTR-ZDUSSCGKSA-N 1 2 268.744 1.416 40 0 CDABLO C[C@@]1(C(N)=O)C[N@@H+](Cc2ccc(Cl)cc2)CCO1 ZINC000072379441 176386700 /nfs/dbraw/zinc/38/67/00/176386700.db2.gz UJSZMKDKHRNQTR-ZDUSSCGKSA-N 1 2 268.744 1.416 40 0 CDABLO CN(C)c1cc[nH+]cc1NS(=O)(=O)c1ccccc1 ZINC000078556752 177354496 /nfs/dbraw/zinc/35/44/96/177354496.db2.gz YGPIUQCTPAAIPR-UHFFFAOYSA-N 1 2 277.349 1.948 40 0 CDABLO COC[C@@H]1C[N@H+](Cc2cccnc2)Cc2ncn(C)c21 ZINC000096060194 185080262 /nfs/dbraw/zinc/08/02/62/185080262.db2.gz HRHBZTQRLBUGQI-ZDUSSCGKSA-N 1 2 272.352 1.561 40 0 CDABLO COC[C@@H]1C[N@@H+](Cc2cccnc2)Cc2ncn(C)c21 ZINC000096060194 185080263 /nfs/dbraw/zinc/08/02/63/185080263.db2.gz HRHBZTQRLBUGQI-ZDUSSCGKSA-N 1 2 272.352 1.561 40 0 CDABLO Cc1ccc(C(=O)N2Cc3[nH+]cn(C)c3C[C@@H]2CO)cc1 ZINC000585094737 342211183 /nfs/dbraw/zinc/21/11/83/342211183.db2.gz JXNMFTDVWKSUGM-CYBMUJFWSA-N 1 2 285.347 1.288 40 0 CDABLO COCc1nnc2n1CC[N@@H+](Cc1cc(C)on1)[C@H](C)C2 ZINC000585098728 342212099 /nfs/dbraw/zinc/21/20/99/342212099.db2.gz YBNMNMWBUUTXFD-SNVBAGLBSA-N 1 2 291.355 1.168 40 0 CDABLO COCc1nnc2n1CC[N@H+](Cc1cc(C)on1)[C@H](C)C2 ZINC000585098728 342212100 /nfs/dbraw/zinc/21/21/00/342212100.db2.gz YBNMNMWBUUTXFD-SNVBAGLBSA-N 1 2 291.355 1.168 40 0 CDABLO c1cn(C[C@@H]2CC[C@@H]3[C@@H]2OCC[N@@H+]3Cc2ccccn2)cn1 ZINC000248078761 362148149 /nfs/dbraw/zinc/14/81/49/362148149.db2.gz HYCNUIXRCHWTES-USXIJHARSA-N 1 2 298.390 1.958 40 0 CDABLO c1cn(C[C@@H]2CC[C@@H]3[C@@H]2OCC[N@H+]3Cc2ccccn2)cn1 ZINC000248078761 362148154 /nfs/dbraw/zinc/14/81/54/362148154.db2.gz HYCNUIXRCHWTES-USXIJHARSA-N 1 2 298.390 1.958 40 0 CDABLO CC(=O)c1ccc(C(=O)N(C)Cc2[nH+]ccn2C)cc1 ZINC000079355181 362164298 /nfs/dbraw/zinc/16/42/98/362164298.db2.gz GGOYILNDWIGQQU-UHFFFAOYSA-N 1 2 271.320 1.895 40 0 CDABLO Cc1ncc(C[N@@H+]2CCCC[C@H]2c2ccnc(N)n2)cn1 ZINC000257261107 362580700 /nfs/dbraw/zinc/58/07/00/362580700.db2.gz LFTDANMMCXAKPJ-AWEZNQCLSA-N 1 2 284.367 1.884 40 0 CDABLO Cc1ncc(C[N@H+]2CCCC[C@H]2c2ccnc(N)n2)cn1 ZINC000257261107 362580704 /nfs/dbraw/zinc/58/07/04/362580704.db2.gz LFTDANMMCXAKPJ-AWEZNQCLSA-N 1 2 284.367 1.884 40 0 CDABLO CC[NH+]1CCN(C(=O)c2csc(C=O)c2)CC1 ZINC000075109852 346097420 /nfs/dbraw/zinc/09/74/20/346097420.db2.gz CJOLGFAULAHVEZ-UHFFFAOYSA-N 1 2 252.339 1.338 40 0 CDABLO CC(C)Cn1cc2[nH]c(N3CCC(O)CC3)[nH+]cc-2c1=O ZINC000072265489 356701481 /nfs/dbraw/zinc/70/14/81/356701481.db2.gz KEONFCLDABPZTB-UHFFFAOYSA-N 1 2 290.367 1.050 40 0 CDABLO COCCNC(=O)c1cc(N)ccc1[NH+]1CCCCC1 ZINC000035707438 356844868 /nfs/dbraw/zinc/84/48/68/356844868.db2.gz WFICYCCAWXTMGS-UHFFFAOYSA-N 1 2 277.368 1.635 40 0 CDABLO COC[C@@H]1Cn2cc[nH+]c2CN(Cc2csc(C)n2)C1 ZINC000096187745 358714838 /nfs/dbraw/zinc/71/48/38/358714838.db2.gz WSSHIVCKQIQNQF-LBPRGKRZSA-N 1 2 292.408 1.926 40 0 CDABLO c1cnc(N2C[C@H]3OC[C@H](CNc4cccc[nH+]4)[C@H]3C2)nc1 ZINC000306137526 374970048 /nfs/dbraw/zinc/97/00/48/374970048.db2.gz QZBVLJZTWBNPMX-BFHYXJOUSA-N 1 2 297.362 1.435 40 0 CDABLO O=C(CCn1cc[nH+]c1)N1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000257248063 190020191 /nfs/dbraw/zinc/02/01/91/190020191.db2.gz JBWPEEAFXIMUKV-ZDUSSCGKSA-N 1 2 287.367 1.478 40 0 CDABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2ccn(C)n2)[nH+]1 ZINC000257274469 190024742 /nfs/dbraw/zinc/02/47/42/190024742.db2.gz NLEACHMPQZRSSH-NSHDSACASA-N 1 2 259.313 1.429 40 0 CDABLO CNC(=O)[C@H]1CN(Cc2ccc(F)cc2F)CC[N@H+](C)C1 ZINC000257325249 190034171 /nfs/dbraw/zinc/03/41/71/190034171.db2.gz WSCGFQZXOHEEEC-GFCCVEGCSA-N 1 2 297.349 1.074 40 0 CDABLO CNC(=O)[C@H]1CN(Cc2ccc(F)cc2F)CC[N@@H+](C)C1 ZINC000257325249 190034172 /nfs/dbraw/zinc/03/41/72/190034172.db2.gz WSCGFQZXOHEEEC-GFCCVEGCSA-N 1 2 297.349 1.074 40 0 CDABLO O=C(C[N@@H+]1CCC[C@@H]1c1ccncn1)N1CCCCC1 ZINC000257336748 190036252 /nfs/dbraw/zinc/03/62/52/190036252.db2.gz YPVJQVWBASCBOT-CQSZACIVSA-N 1 2 274.368 1.626 40 0 CDABLO O=C(C[N@H+]1CCC[C@@H]1c1ccncn1)N1CCCCC1 ZINC000257336748 190036253 /nfs/dbraw/zinc/03/62/53/190036253.db2.gz YPVJQVWBASCBOT-CQSZACIVSA-N 1 2 274.368 1.626 40 0 CDABLO O=C(Cc1cn2ccccc2[nH+]1)Nc1nccs1 ZINC000041304165 379364947 /nfs/dbraw/zinc/36/49/47/379364947.db2.gz BYWXTALBVORGCY-UHFFFAOYSA-N 1 2 258.306 1.972 40 0 CDABLO CCC(=O)c1c[nH+]c(N2CCN(C(C)=O)CC2)cc1C ZINC000072223729 256705018 /nfs/dbraw/zinc/70/50/18/256705018.db2.gz JXACSGBNOVALLS-UHFFFAOYSA-N 1 2 275.352 1.651 40 0 CDABLO CC[C@H]1CCCC[N@@H+]1Cc1nn(C)cc1C(=O)OC ZINC000575441456 391383940 /nfs/dbraw/zinc/38/39/40/391383940.db2.gz OBRWCFQSUBJAOF-NSHDSACASA-N 1 2 265.357 1.971 40 0 CDABLO CC[C@H]1CCCC[N@H+]1Cc1nn(C)cc1C(=O)OC ZINC000575441456 391383942 /nfs/dbraw/zinc/38/39/42/391383942.db2.gz OBRWCFQSUBJAOF-NSHDSACASA-N 1 2 265.357 1.971 40 0 CDABLO O=c1n2cnc3ccccc3c2nn1C[NH+]1CCCCCC1 ZINC000072347008 176373343 /nfs/dbraw/zinc/37/33/43/176373343.db2.gz OADJUPRPTBAQKZ-UHFFFAOYSA-N 1 2 297.362 1.878 40 0 CDABLO Cc1cc(N2CCO[C@@](C)(c3ccnc(C)n3)C2)nc[nH+]1 ZINC000257284286 280564249 /nfs/dbraw/zinc/56/42/49/280564249.db2.gz PCAVWVITGWBPIX-OAHLLOKOSA-N 1 2 285.351 1.635 40 0 CDABLO COc1ccc([C@H]([NH3+])c2nc([C@@H]3CCCO3)n[nH]2)cc1 ZINC000095533736 185006080 /nfs/dbraw/zinc/00/60/80/185006080.db2.gz PYWSDXLDABYWSV-RYUDHWBXSA-N 1 2 274.324 1.713 40 0 CDABLO [NH3+][C@H](c1nnc(Cn2cccn2)[nH]1)c1ccccc1 ZINC000095533428 185006848 /nfs/dbraw/zinc/00/68/48/185006848.db2.gz BKYFGSXQPHXWQX-LBPRGKRZSA-N 1 2 254.297 1.098 40 0 CDABLO Cn1c[nH+]c2c1C[C@H](COc1ccccn1)N(C)C2 ZINC000585094539 342211249 /nfs/dbraw/zinc/21/12/49/342211249.db2.gz AMKFBPKVSQYTGI-LLVKDONJSA-N 1 2 258.325 1.251 40 0 CDABLO Cn1cnc2c1C[C@H](COc1ccccn1)[N@H+](C)C2 ZINC000585094539 342211250 /nfs/dbraw/zinc/21/12/50/342211250.db2.gz AMKFBPKVSQYTGI-LLVKDONJSA-N 1 2 258.325 1.251 40 0 CDABLO Cn1cnc2c1C[C@H](COc1ccccn1)[N@@H+](C)C2 ZINC000585094539 342211251 /nfs/dbraw/zinc/21/12/51/342211251.db2.gz AMKFBPKVSQYTGI-LLVKDONJSA-N 1 2 258.325 1.251 40 0 CDABLO Cc1c[nH]c([C@H]2CN(c3cc(C)[nH+]cn3)CCO2)n1 ZINC000585181430 342232646 /nfs/dbraw/zinc/23/26/46/342232646.db2.gz KGUDFVHLFFPMCD-LLVKDONJSA-N 1 2 259.313 1.394 40 0 CDABLO CCCS(=O)(=O)N1CC[NH2+]C[C@H]1c1ccccc1OC ZINC000257304324 362583771 /nfs/dbraw/zinc/58/37/71/362583771.db2.gz SLBKHJODYCPYCQ-ZDUSSCGKSA-N 1 2 298.408 1.381 40 0 CDABLO Cc1cn[nH]c1[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC000257338633 362587145 /nfs/dbraw/zinc/58/71/45/362587145.db2.gz YYGQKRWHQADKMT-CYBMUJFWSA-N 1 2 276.384 1.868 40 0 CDABLO COC[C@@H]1c2c(cnn2C)CC[N@H+]1Cc1ccoc1 ZINC000096197701 358716483 /nfs/dbraw/zinc/71/64/83/358716483.db2.gz OXJGCQCDVVYRMA-CYBMUJFWSA-N 1 2 261.325 1.759 40 0 CDABLO COC[C@@H]1c2c(cnn2C)CC[N@@H+]1Cc1ccoc1 ZINC000096197701 358716485 /nfs/dbraw/zinc/71/64/85/358716485.db2.gz OXJGCQCDVVYRMA-CYBMUJFWSA-N 1 2 261.325 1.759 40 0 CDABLO c1cnn(Cc2c[nH+]c3n2CCN(Cc2ccco2)C3)c1 ZINC000096201087 358718284 /nfs/dbraw/zinc/71/82/84/358718284.db2.gz XWZKWVOWEFLBLZ-UHFFFAOYSA-N 1 2 283.335 1.737 40 0 CDABLO O=C1NCC[NH2+][C@@H]1Cc1ccccc1Br ZINC000014001375 366525212 /nfs/dbraw/zinc/52/52/12/366525212.db2.gz IWHNATQRGIBUMA-SNVBAGLBSA-N 1 2 269.142 1.080 40 0 CDABLO CCCn1nnnc1C[N@H+](C)[C@H]1CCC[C@@H]1SC ZINC000076146425 367003154 /nfs/dbraw/zinc/00/31/54/367003154.db2.gz CASRBMQTADGPMM-QWRGUYRKSA-N 1 2 269.418 1.799 40 0 CDABLO CCCn1nnnc1C[N@@H+](C)[C@H]1CCC[C@@H]1SC ZINC000076146425 367003160 /nfs/dbraw/zinc/00/31/60/367003160.db2.gz CASRBMQTADGPMM-QWRGUYRKSA-N 1 2 269.418 1.799 40 0 CDABLO C[C@@H]([C@H](C(=O)[O-])[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000019366264 296215786 /nfs/dbraw/zinc/21/57/86/296215786.db2.gz TYOYGBAMBMYYDQ-QWHCGFSZSA-N 1 2 254.374 1.800 40 0 CDABLO Cc1c(C[NH2+]Cc2ccn(CC(F)F)n2)cnn1C ZINC000256050322 190002894 /nfs/dbraw/zinc/00/28/94/190002894.db2.gz DPRIXCRJSFZJSW-UHFFFAOYSA-N 1 2 269.299 1.480 40 0 CDABLO O=C(Cc1ccsc1)N[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257206840 190011599 /nfs/dbraw/zinc/01/15/99/190011599.db2.gz BFBYJHZBJDVLLV-YRGRVCCFSA-N 1 2 291.376 1.368 40 0 CDABLO Cn1cnc(C[N@@H+]2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)c1 ZINC000257240169 190018484 /nfs/dbraw/zinc/01/84/84/190018484.db2.gz HSJMTZMKPPRZQU-HUUCEWRRSA-N 1 2 291.326 1.183 40 0 CDABLO Cn1cnc(C[N@H+]2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)c1 ZINC000257240169 190018485 /nfs/dbraw/zinc/01/84/85/190018485.db2.gz HSJMTZMKPPRZQU-HUUCEWRRSA-N 1 2 291.326 1.183 40 0 CDABLO Cc1[nH+]c2ccccn2c1CC(=O)NC1CCOCC1 ZINC000257288074 190027202 /nfs/dbraw/zinc/02/72/02/190027202.db2.gz PSRKHJSTFVDDGD-UHFFFAOYSA-N 1 2 273.336 1.480 40 0 CDABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3cnccn3)C2)[nH+]1 ZINC000257342066 190037184 /nfs/dbraw/zinc/03/71/84/190037184.db2.gz ZMYBRRGVYPWDCE-NSHDSACASA-N 1 2 271.324 1.148 40 0 CDABLO O=CN1CCC[C@H]1c1ccc(N2CCOCC2)[nH+]c1 ZINC000072216149 390620895 /nfs/dbraw/zinc/62/08/95/390620895.db2.gz LPKFHEZUCFIHSS-ZDUSSCGKSA-N 1 2 261.325 1.212 40 0 CDABLO Cc1ccc(C)c(CS(=O)(=O)c2nnc([C@H](C)[NH3+])o2)c1 ZINC000005163163 170072654 /nfs/dbraw/zinc/07/26/54/170072654.db2.gz UTNYAGSMWMJHSI-JTQLQIEISA-N 1 2 295.364 1.680 40 0 CDABLO C[C@@H](Cn1nnc2ccccc21)C(=O)NCc1[nH]cc[nH+]1 ZINC000072390443 176393690 /nfs/dbraw/zinc/39/36/90/176393690.db2.gz AHQKGPIFCGPDAP-JTQLQIEISA-N 1 2 284.323 1.107 40 0 CDABLO COC(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)s1 ZINC000078773293 177385164 /nfs/dbraw/zinc/38/51/64/177385164.db2.gz DESPIOOIAGMOND-UHFFFAOYSA-N 1 2 298.345 1.731 40 0 CDABLO COc1ccc(N2C(=O)C[C@@H](n3cc[nH+]c3)C2=O)cc1 ZINC000103228401 1166699891 /nfs/dbraw/zinc/69/98/91/1166699891.db2.gz BZGZAGLYIAVAQC-GFCCVEGCSA-N 1 2 271.276 1.396 40 0 CDABLO CCOC[C@@H]1C[N@H+](Cc2ccccn2)Cc2nn(C)cc21 ZINC000096060388 185080904 /nfs/dbraw/zinc/08/09/04/185080904.db2.gz IGDOVYDWSHLJOI-ZDUSSCGKSA-N 1 2 286.379 1.951 40 0 CDABLO CCOC[C@@H]1C[N@@H+](Cc2ccccn2)Cc2nn(C)cc21 ZINC000096060388 185080906 /nfs/dbraw/zinc/08/09/06/185080906.db2.gz IGDOVYDWSHLJOI-ZDUSSCGKSA-N 1 2 286.379 1.951 40 0 CDABLO COC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)[C@@H]1CCCS1 ZINC000585094769 342211352 /nfs/dbraw/zinc/21/13/52/342211352.db2.gz LSKSSWXAFGRMNP-MFKMUULPSA-N 1 2 295.408 1.215 40 0 CDABLO Cn1cnc2c1C[C@@H](CO)[N@H+](Cc1ccc3c(c1)CCC3)C2 ZINC000585094993 342211368 /nfs/dbraw/zinc/21/13/68/342211368.db2.gz YOURFEDLKMURRO-INIZCTEOSA-N 1 2 297.402 1.828 40 0 CDABLO Cn1cnc2c1C[C@@H](CO)[N@@H+](Cc1ccc3c(c1)CCC3)C2 ZINC000585094993 342211369 /nfs/dbraw/zinc/21/13/69/342211369.db2.gz YOURFEDLKMURRO-INIZCTEOSA-N 1 2 297.402 1.828 40 0 CDABLO Cn1c[nH+]c2c1C[C@@H](CO)N(Cc1ccc3c(c1)CCC3)C2 ZINC000585094993 342211370 /nfs/dbraw/zinc/21/13/70/342211370.db2.gz YOURFEDLKMURRO-INIZCTEOSA-N 1 2 297.402 1.828 40 0 CDABLO C[N@H+]1Cc2ccnn2[C@H](CCNC(=O)c2cccnc2)C1 ZINC000585112700 342213629 /nfs/dbraw/zinc/21/36/29/342213629.db2.gz VNSREHULLVECHA-CYBMUJFWSA-N 1 2 285.351 1.085 40 0 CDABLO C[N@@H+]1Cc2ccnn2[C@H](CCNC(=O)c2cccnc2)C1 ZINC000585112700 342213630 /nfs/dbraw/zinc/21/36/30/342213630.db2.gz VNSREHULLVECHA-CYBMUJFWSA-N 1 2 285.351 1.085 40 0 CDABLO O=C(C[N@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)Nc1ccccc1F ZINC000247764582 362130745 /nfs/dbraw/zinc/13/07/45/362130745.db2.gz JPJSFVJYFXVFHO-MNOVXSKESA-N 1 2 291.326 1.117 40 0 CDABLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)Nc1ccccc1F ZINC000247764582 362130751 /nfs/dbraw/zinc/13/07/51/362130751.db2.gz JPJSFVJYFXVFHO-MNOVXSKESA-N 1 2 291.326 1.117 40 0 CDABLO COC[C@@H]1CN(Cc2scnc2C)Cc2c[nH+]cn21 ZINC000248034108 362146178 /nfs/dbraw/zinc/14/61/78/362146178.db2.gz MTYXUPFHLGDSLC-LBPRGKRZSA-N 1 2 278.381 1.851 40 0 CDABLO Cc1ccnc([C@H]2CCN(c3cc(C)[nH+]cn3)C2)n1 ZINC000257330550 362587024 /nfs/dbraw/zinc/58/70/24/362587024.db2.gz XOWMOKKZYZCMPZ-LBPRGKRZSA-N 1 2 255.325 1.877 40 0 CDABLO Cc1cc(NC(=O)N[C@@H]2C[C@@H](C)n3ccnc32)cc[nH+]1 ZINC000333553818 363028168 /nfs/dbraw/zinc/02/81/68/363028168.db2.gz VADCMLNOKNONIB-ZYHUDNBSSA-N 1 2 271.324 1.836 40 0 CDABLO CCNC(=S)N1CC[NH+](Cc2ccco2)CC1 ZINC000013769490 356357604 /nfs/dbraw/zinc/35/76/04/356357604.db2.gz CPGXLIDKOGZPPK-UHFFFAOYSA-N 1 2 253.371 1.292 40 0 CDABLO CN(C)S(=O)(=O)C/C(=C/c1ccccc1)[NH+](C)C ZINC000016952696 356449175 /nfs/dbraw/zinc/44/91/75/356449175.db2.gz HQYIJMPMUORITH-RAXLEYEMSA-N 1 2 268.382 1.481 40 0 CDABLO COc1ccc(/C=C\C(=O)OCC[NH+]2CCOCC2)cc1 ZINC000031623665 356767612 /nfs/dbraw/zinc/76/76/12/356767612.db2.gz CLJXFPNQZQTQCE-DAXSKMNVSA-N 1 2 291.347 1.584 40 0 CDABLO c1cnn(C[C@H]2Cn3cc[nH+]c3CN(c3ncccn3)C2)c1 ZINC000096188552 358715134 /nfs/dbraw/zinc/71/51/34/358715134.db2.gz ZMVSFCIWMQVEHZ-ZDUSSCGKSA-N 1 2 295.350 1.206 40 0 CDABLO CC(C)[N@@H+]1CCO[C@H]2CN(C(=O)c3cscn3)C[C@H]21 ZINC000096248684 358726879 /nfs/dbraw/zinc/72/68/79/358726879.db2.gz PPLJUQWQIYEWPU-NEPJUHHUSA-N 1 2 281.381 1.077 40 0 CDABLO CC(C)[N@H+]1CCO[C@H]2CN(C(=O)c3cscn3)C[C@H]21 ZINC000096248684 358726880 /nfs/dbraw/zinc/72/68/80/358726880.db2.gz PPLJUQWQIYEWPU-NEPJUHHUSA-N 1 2 281.381 1.077 40 0 CDABLO Cc1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](C(C)C)[C@H]3C2)[nH]n1 ZINC000108533756 359047479 /nfs/dbraw/zinc/04/74/79/359047479.db2.gz RLDAKNVDQPYIIY-KBPBESRZSA-N 1 2 292.383 1.042 40 0 CDABLO Cc1cc(C(=O)N2CC[C@@H]3OCC[N@H+](C(C)C)[C@H]3C2)[nH]n1 ZINC000108533756 359047483 /nfs/dbraw/zinc/04/74/83/359047483.db2.gz RLDAKNVDQPYIIY-KBPBESRZSA-N 1 2 292.383 1.042 40 0 CDABLO Cc1cc(C(=O)N2CC[C@@H]3OCC[N@@H+](C(C)C)[C@H]3C2)n[nH]1 ZINC000108533756 359047489 /nfs/dbraw/zinc/04/74/89/359047489.db2.gz RLDAKNVDQPYIIY-KBPBESRZSA-N 1 2 292.383 1.042 40 0 CDABLO Cc1cc(C(=O)N2CC[C@@H]3OCC[N@H+](C(C)C)[C@H]3C2)n[nH]1 ZINC000108533756 359047490 /nfs/dbraw/zinc/04/74/90/359047490.db2.gz RLDAKNVDQPYIIY-KBPBESRZSA-N 1 2 292.383 1.042 40 0 CDABLO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)C(=O)OC(C)(C)C ZINC000235528345 360164972 /nfs/dbraw/zinc/16/49/72/360164972.db2.gz SINCIOFMDCMHQQ-MVWJERBFSA-N 1 2 255.358 1.874 40 0 CDABLO O=C(NCc1ccccn1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000225509542 374580193 /nfs/dbraw/zinc/58/01/93/374580193.db2.gz TZDYAVMCHWVMNE-SNVBAGLBSA-N 1 2 256.309 1.226 40 0 CDABLO O=C(NCc1ccccn1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000225509542 374580198 /nfs/dbraw/zinc/58/01/98/374580198.db2.gz TZDYAVMCHWVMNE-SNVBAGLBSA-N 1 2 256.309 1.226 40 0 CDABLO Nc1nccnc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000055696069 375206818 /nfs/dbraw/zinc/20/68/18/375206818.db2.gz JSKFBCXGKGVMLX-UHFFFAOYSA-N 1 2 294.318 1.175 40 0 CDABLO CCn1ncc(C[NH2+]Cc2ccn(CC(F)F)n2)c1F ZINC000256049644 190002700 /nfs/dbraw/zinc/00/27/00/190002700.db2.gz ATHCTFAJUKTYCE-UHFFFAOYSA-N 1 2 287.289 1.794 40 0 CDABLO CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2Cc2c[nH]cn2)nc1 ZINC000257208084 190012141 /nfs/dbraw/zinc/01/21/41/190012141.db2.gz BKQXXRHNTYXCGS-INIZCTEOSA-N 1 2 299.378 1.778 40 0 CDABLO CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2Cc2c[nH]cn2)nc1 ZINC000257208084 190012142 /nfs/dbraw/zinc/01/21/42/190012142.db2.gz BKQXXRHNTYXCGS-INIZCTEOSA-N 1 2 299.378 1.778 40 0 CDABLO O=C(CCn1cc[nH+]c1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000257244368 190019654 /nfs/dbraw/zinc/01/96/54/190019654.db2.gz IKZMVUBYJKOGOS-GFCCVEGCSA-N 1 2 273.340 1.403 40 0 CDABLO Cc1cc(=O)[nH]c([C@@H]2C[N@@H+](C3CCOCC3)CCO2)n1 ZINC000257280881 190025725 /nfs/dbraw/zinc/02/57/25/190025725.db2.gz OMTWBAVQQQDZQC-LBPRGKRZSA-N 1 2 279.340 1.043 40 0 CDABLO Cc1cc(=O)[nH]c([C@@H]2C[N@H+](C3CCOCC3)CCO2)n1 ZINC000257280881 190025726 /nfs/dbraw/zinc/02/57/26/190025726.db2.gz OMTWBAVQQQDZQC-LBPRGKRZSA-N 1 2 279.340 1.043 40 0 CDABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3cnn4cccnc34)C2)[nH+]1 ZINC000257275067 190024944 /nfs/dbraw/zinc/02/49/44/190024944.db2.gz NNTUOYSMIFCDBI-LLVKDONJSA-N 1 2 296.334 1.391 40 0 CDABLO CC(=O)N1CCC([N@@H+]2CCC[C@@H]2c2cncc(C)n2)CC1 ZINC000257326003 190033911 /nfs/dbraw/zinc/03/39/11/190033911.db2.gz WVJAIKGIWIACEL-MRXNPFEDSA-N 1 2 288.395 1.933 40 0 CDABLO CC(=O)N1CCC([N@H+]2CCC[C@@H]2c2cncc(C)n2)CC1 ZINC000257326003 190033912 /nfs/dbraw/zinc/03/39/12/190033912.db2.gz WVJAIKGIWIACEL-MRXNPFEDSA-N 1 2 288.395 1.933 40 0 CDABLO CNc1cc([C@@H]2CCCN2C(=O)c2ccc(=O)[nH]n2)cc[nH+]1 ZINC000257341266 190036758 /nfs/dbraw/zinc/03/67/58/190036758.db2.gz ZJPAGWORDIFEBB-LBPRGKRZSA-N 1 2 299.334 1.184 40 0 CDABLO CO[C@H]1C[N@H+](Cc2cscn2)CC[C@@]12CCCO2 ZINC000257342521 190037236 /nfs/dbraw/zinc/03/72/36/190037236.db2.gz ZPARXGQZHBKIJZ-STQMWFEESA-N 1 2 268.382 1.913 40 0 CDABLO CO[C@H]1C[N@@H+](Cc2cscn2)CC[C@@]12CCCO2 ZINC000257342521 190037237 /nfs/dbraw/zinc/03/72/37/190037237.db2.gz ZPARXGQZHBKIJZ-STQMWFEESA-N 1 2 268.382 1.913 40 0 CDABLO COc1ccccc1[C@@H](N)c1noc(C[NH+]2CCCC2)n1 ZINC000070453766 390942619 /nfs/dbraw/zinc/94/26/19/390942619.db2.gz QPLZWKXXOJTSGS-CQSZACIVSA-N 1 2 288.351 1.722 40 0 CDABLO COc1ccccc1[C@H](N)c1noc(C[NH+]2CCCC2)n1 ZINC000070453765 390942660 /nfs/dbraw/zinc/94/26/60/390942660.db2.gz QPLZWKXXOJTSGS-AWEZNQCLSA-N 1 2 288.351 1.722 40 0 CDABLO Cn1ccnc1C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000072345705 176372978 /nfs/dbraw/zinc/37/29/78/176372978.db2.gz IJSVYJHUDFHYIV-UHFFFAOYSA-N 1 2 271.368 1.527 40 0 CDABLO Cn1ccnc1C[N@H+]1CCCN(c2ccccn2)CC1 ZINC000072345705 176372979 /nfs/dbraw/zinc/37/29/79/176372979.db2.gz IJSVYJHUDFHYIV-UHFFFAOYSA-N 1 2 271.368 1.527 40 0 CDABLO CCc1[nH+]ccn1-c1cncc([C@@H]2CCCN(C(C)=O)C2)n1 ZINC000072355397 176375309 /nfs/dbraw/zinc/37/53/09/176375309.db2.gz FLUPCQOFNBKECG-CYBMUJFWSA-N 1 2 299.378 1.951 40 0 CDABLO Cc1cc(C)nc([C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)n1 ZINC000072369714 176384296 /nfs/dbraw/zinc/38/42/96/176384296.db2.gz RCDWTRBELIXRFD-AWEZNQCLSA-N 1 2 299.378 1.696 40 0 CDABLO Cc1nc(N2CC(c3nn(C)c4nccnc34)C2)cc[nH+]1 ZINC000072385862 176390694 /nfs/dbraw/zinc/39/06/94/176390694.db2.gz SUWLOXNSLQNYGM-UHFFFAOYSA-N 1 2 281.323 1.066 40 0 CDABLO Cn1c[nH+]cc1CN1CCO[C@@H](c2ccccn2)C1 ZINC000072386192 176391268 /nfs/dbraw/zinc/39/12/68/176391268.db2.gz DNTZSKNIRNMRQL-CQSZACIVSA-N 1 2 258.325 1.389 40 0 CDABLO CCn1cc[nH+]c1CN1CCN(Cc2ccon2)CC1 ZINC000077283033 177248506 /nfs/dbraw/zinc/24/85/06/177248506.db2.gz IERCMDDMNYLSRJ-UHFFFAOYSA-N 1 2 275.356 1.209 40 0 CDABLO Cc1cc(C[NH+]2CCC3(CC(=O)N(C)O3)CC2)no1 ZINC001549161655 968053545 /nfs/dbraw/zinc/05/35/45/968053545.db2.gz IAKTVWYFTODVHW-UHFFFAOYSA-N 1 2 265.313 1.111 40 0 CDABLO CCOc1ccc(-c2n[nH]c([C@H](C)[NH3+])n2)cc1OC ZINC000095534691 185005892 /nfs/dbraw/zinc/00/58/92/185005892.db2.gz FJTCAMXUQQWKAG-QMMMGPOBSA-N 1 2 262.313 1.899 40 0 CDABLO Cc1ccc(C[N@@H+]2CCCn3nnc(CO)c3C2)s1 ZINC000096084328 185092195 /nfs/dbraw/zinc/09/21/95/185092195.db2.gz YULXACIGOLYHCM-UHFFFAOYSA-N 1 2 278.381 1.546 40 0 CDABLO Cc1ccc(C[N@H+]2CCCn3nnc(CO)c3C2)s1 ZINC000096084328 185092197 /nfs/dbraw/zinc/09/21/97/185092197.db2.gz YULXACIGOLYHCM-UHFFFAOYSA-N 1 2 278.381 1.546 40 0 CDABLO COc1cccc(N2C(=[NH2+])S[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000137103218 342119813 /nfs/dbraw/zinc/11/98/13/342119813.db2.gz PCIWHLWNVCOXMC-GHMZBOCLSA-N 1 2 298.389 1.349 40 0 CDABLO Cc1cccc(OC[C@]2(O)CC[N@H+](Cc3ncc[nH]3)C2)c1 ZINC000585275104 342256062 /nfs/dbraw/zinc/25/60/62/342256062.db2.gz WRJHHJGCQAXFQU-INIZCTEOSA-N 1 2 287.363 1.734 40 0 CDABLO Cc1cccc(OC[C@]2(O)CC[N@@H+](Cc3ncc[nH]3)C2)c1 ZINC000585275104 342256063 /nfs/dbraw/zinc/25/60/63/342256063.db2.gz WRJHHJGCQAXFQU-INIZCTEOSA-N 1 2 287.363 1.734 40 0 CDABLO CCc1nc(N(C)Cc2nc(CCOC)no2)cc(C)[nH+]1 ZINC000225822381 529730254 /nfs/dbraw/zinc/73/02/54/529730254.db2.gz BFSGYKRCKDLJQR-UHFFFAOYSA-N 1 2 291.355 1.556 40 0 CDABLO Nc1nonc1CC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000019350011 356481158 /nfs/dbraw/zinc/48/11/58/356481158.db2.gz SLBWOAJKBOYUBS-UHFFFAOYSA-N 1 2 284.279 1.019 40 0 CDABLO Cc1[nH]c2ccc(NC(=O)[C@H](C)N3CCCC3=O)cc2[nH+]1 ZINC000019576741 356492240 /nfs/dbraw/zinc/49/22/40/356492240.db2.gz JKIGOZDVJYANFO-VIFPVBQESA-N 1 2 286.335 1.821 40 0 CDABLO CC(C)c1cc(=O)[nH]c(NC(=[NH2+])N2CCCCC2)n1 ZINC000019819777 356507494 /nfs/dbraw/zinc/50/74/94/356507494.db2.gz FZLKNKVCJOYUKA-UHFFFAOYSA-N 1 2 263.345 1.726 40 0 CDABLO CNc1nc([C@@H]2CCCCN2C)nc2c1CC[N@H+](C)C2 ZINC000072376536 357831388 /nfs/dbraw/zinc/83/13/88/357831388.db2.gz SRCFMXWSCJMFJT-ZDUSSCGKSA-N 1 2 275.400 1.663 40 0 CDABLO CNc1nc([C@@H]2CCCCN2C)nc2c1CC[N@@H+](C)C2 ZINC000072376536 357831391 /nfs/dbraw/zinc/83/13/91/357831391.db2.gz SRCFMXWSCJMFJT-ZDUSSCGKSA-N 1 2 275.400 1.663 40 0 CDABLO c1cnc(N2C[C@H]3OC[C@@H](COc4cc[nH+]cc4)[C@H]3C2)cn1 ZINC000096219472 358722008 /nfs/dbraw/zinc/72/20/08/358722008.db2.gz RGXCGRLOXRONRX-BPLDGKMQSA-N 1 2 298.346 1.402 40 0 CDABLO COCc1nn(C(C)C)c2c1CC[N@H+](CC(=O)N(C)C)C2 ZINC000096259907 358729573 /nfs/dbraw/zinc/72/95/73/358729573.db2.gz LNGZRVCRMYWFEM-UHFFFAOYSA-N 1 2 294.399 1.057 40 0 CDABLO COCc1nn(C(C)C)c2c1CC[N@@H+](CC(=O)N(C)C)C2 ZINC000096259907 358729574 /nfs/dbraw/zinc/72/95/74/358729574.db2.gz LNGZRVCRMYWFEM-UHFFFAOYSA-N 1 2 294.399 1.057 40 0 CDABLO Cc1[nH+]c2cc(NC(=O)NCCCO)ccc2n1C ZINC000409146215 363933653 /nfs/dbraw/zinc/93/36/53/363933653.db2.gz SBYYONBITFGNTN-UHFFFAOYSA-N 1 2 262.313 1.386 40 0 CDABLO CCOC(=O)c1c[nH+]c2cc(F)ccc2c1NCCO ZINC000064874574 374240571 /nfs/dbraw/zinc/24/05/71/374240571.db2.gz XITFKDWLQLGQFL-UHFFFAOYSA-N 1 2 278.283 1.955 40 0 CDABLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccncc1)C2 ZINC000225518069 374648021 /nfs/dbraw/zinc/64/80/21/374648021.db2.gz WUZZMOLXDHVKHM-JTQLQIEISA-N 1 2 256.309 1.857 40 0 CDABLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccncc1)CC2 ZINC000225518069 374648026 /nfs/dbraw/zinc/64/80/26/374648026.db2.gz WUZZMOLXDHVKHM-JTQLQIEISA-N 1 2 256.309 1.857 40 0 CDABLO Cc1c(NC(=O)[C@H]2C[NH2+]CCO2)[nH]nc1-c1ccccc1 ZINC000257198093 190010573 /nfs/dbraw/zinc/01/05/73/190010573.db2.gz SLKFSWAWJPWLJR-GFCCVEGCSA-N 1 2 286.335 1.312 40 0 CDABLO CC(=O)N1CCC[C@@H](c2nccnc2-c2c[nH+]c(C)n2C)C1 ZINC000257250798 190019799 /nfs/dbraw/zinc/01/97/99/190019799.db2.gz JOAUPJQROOPRCL-CYBMUJFWSA-N 1 2 299.378 1.911 40 0 CDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2ncccc2C)[nH+]1 ZINC000257272920 190024859 /nfs/dbraw/zinc/02/48/59/190024859.db2.gz NEJZNYRLRWTDBL-LBPRGKRZSA-N 1 2 286.335 1.635 40 0 CDABLO O=C(Cn1cc[nH+]c1)N1CCC(c2cnccn2)CC1 ZINC000257313870 190032190 /nfs/dbraw/zinc/03/21/90/190032190.db2.gz UUKQNDYDQGWJSK-UHFFFAOYSA-N 1 2 271.324 1.079 40 0 CDABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3cnc(C)nc3C)C2)[nH+]1 ZINC000257323517 190034353 /nfs/dbraw/zinc/03/43/53/190034353.db2.gz WKOMKZHVIWSTPB-LBPRGKRZSA-N 1 2 285.351 1.755 40 0 CDABLO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000257323777 190034376 /nfs/dbraw/zinc/03/43/76/190034376.db2.gz WLUJAEWSIZTNQT-LBPRGKRZSA-N 1 2 250.346 1.148 40 0 CDABLO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000257323777 190034377 /nfs/dbraw/zinc/03/43/77/190034377.db2.gz WLUJAEWSIZTNQT-LBPRGKRZSA-N 1 2 250.346 1.148 40 0 CDABLO Cc1cc([C@H]2CN(Cc3[nH+]ccn3C)CCO2)nc(C)n1 ZINC000257335973 190036266 /nfs/dbraw/zinc/03/62/66/190036266.db2.gz YMPYSMNPBJJDCM-CQSZACIVSA-N 1 2 287.367 1.400 40 0 CDABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)CCn2nccc2C)[nH+]1 ZINC000257336244 190036654 /nfs/dbraw/zinc/03/66/54/190036654.db2.gz YNQUZPKYPYHMES-ZDUSSCGKSA-N 1 2 287.367 1.977 40 0 CDABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccnn3C)C2)[nH+]1 ZINC000257340768 190037372 /nfs/dbraw/zinc/03/73/72/190037372.db2.gz ZHMPTSGWLUJYBD-LLVKDONJSA-N 1 2 273.340 1.471 40 0 CDABLO Cc1cc(N2CCC[C@@H]2c2cccc(C(N)=O)n2)nc[nH+]1 ZINC000257238137 291934312 /nfs/dbraw/zinc/93/43/12/291934312.db2.gz HJTXBMQDQIFUAG-CYBMUJFWSA-N 1 2 283.335 1.620 40 0 CDABLO COC[C@H]1Cn2cc[nH+]c2CN(C(=O)c2ccc[nH]2)C1 ZINC000096187763 256817091 /nfs/dbraw/zinc/81/70/91/256817091.db2.gz GCNADUCBCVTKEA-NSHDSACASA-N 1 2 274.324 1.130 40 0 CDABLO CC(=O)N1CCOC[C@@]2(CN(c3cccc[nH+]3)C[C@@H]2C)C1 ZINC000096202406 256822416 /nfs/dbraw/zinc/82/24/16/256822416.db2.gz VESUNWZEBFDTQF-BBRMVZONSA-N 1 2 289.379 1.403 40 0 CDABLO CNN(C)[P@](=O)(Oc1ccccc1)N(C)[NH2+]C ZINC000001576483 390139286 /nfs/dbraw/zinc/13/92/86/390139286.db2.gz HESUPKBHBLTRLQ-UHFFFAOYSA-N 1 2 258.262 1.306 40 0 CDABLO CNN(C)[P@@](=O)(Oc1ccccc1)N(C)[NH2+]C ZINC000001576483 390139289 /nfs/dbraw/zinc/13/92/89/390139289.db2.gz HESUPKBHBLTRLQ-UHFFFAOYSA-N 1 2 258.262 1.306 40 0 CDABLO CC(C)[N@@H+]1CCO[C@H]2CN(C(=O)c3ccccn3)C[C@H]21 ZINC000096054287 390912256 /nfs/dbraw/zinc/91/22/56/390912256.db2.gz CIGDLBHNMAXIAX-KGLIPLIRSA-N 1 2 275.352 1.015 40 0 CDABLO CC(C)[N@H+]1CCO[C@H]2CN(C(=O)c3ccccn3)C[C@H]21 ZINC000096054287 390912257 /nfs/dbraw/zinc/91/22/57/390912257.db2.gz CIGDLBHNMAXIAX-KGLIPLIRSA-N 1 2 275.352 1.015 40 0 CDABLO COC(=O)[C@H](C)N1CC[NH+](CCC(F)(F)F)CC1 ZINC000575441476 391383964 /nfs/dbraw/zinc/38/39/64/391383964.db2.gz PLHHLTMFUOEERT-VIFPVBQESA-N 1 2 268.279 1.118 40 0 CDABLO Cc1c[nH+]ccc1NC(=O)N1C[C@H](C)OC2(CCC2)C1 ZINC000335396182 391430706 /nfs/dbraw/zinc/43/07/06/391430706.db2.gz RJUYRHVCNAVVSM-LBPRGKRZSA-N 1 2 275.352 1.987 40 0 CDABLO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000090513329 135063704 /nfs/dbraw/zinc/06/37/04/135063704.db2.gz CCHYJZXLHBLDSG-UHFFFAOYSA-N 1 2 268.744 1.878 40 0 CDABLO COc1cc2c(cc1OC)[C@H]1CC(=O)CC[N@@H+]1CC2 ZINC000031739381 286260806 /nfs/dbraw/zinc/26/08/06/286260806.db2.gz RTZZLKNSTLYSOA-CYBMUJFWSA-N 1 2 261.321 1.966 40 0 CDABLO COc1cc2c(cc1OC)[C@H]1CC(=O)CC[N@H+]1CC2 ZINC000031739381 286260807 /nfs/dbraw/zinc/26/08/07/286260807.db2.gz RTZZLKNSTLYSOA-CYBMUJFWSA-N 1 2 261.321 1.966 40 0 CDABLO CCOC(=O)C1=C(O)[C@@H](COC)[N@H+](Cc2ccccc2)C1 ZINC000001708952 276289011 /nfs/dbraw/zinc/28/90/11/276289011.db2.gz VNVILDSOTIRVJV-ZIAGYGMSSA-N 1 2 291.347 1.266 40 0 CDABLO CCOC(=O)C1=C(O)[C@@H](COC)[N@@H+](Cc2ccccc2)C1 ZINC000001708952 276289012 /nfs/dbraw/zinc/28/90/12/276289012.db2.gz VNVILDSOTIRVJV-ZIAGYGMSSA-N 1 2 291.347 1.266 40 0 CDABLO CCOC1CN(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)C1 ZINC000334064918 279670781 /nfs/dbraw/zinc/67/07/81/279670781.db2.gz CRAOIAVBOIOASG-ONGXEEELSA-N 1 2 264.329 1.319 40 0 CDABLO Cc1c[nH]c([C@H]2COCC[N@@H+]2CC2CCOCC2)n1 ZINC000257247714 301025109 /nfs/dbraw/zinc/02/51/09/301025109.db2.gz JACZGOUBAXVYQA-CYBMUJFWSA-N 1 2 265.357 1.518 40 0 CDABLO Cc1c[nH]c([C@H]2COCC[N@H+]2CC2CCOCC2)n1 ZINC000257247714 301025112 /nfs/dbraw/zinc/02/51/12/301025112.db2.gz JACZGOUBAXVYQA-CYBMUJFWSA-N 1 2 265.357 1.518 40 0 CDABLO Cn1cc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)cn1 ZINC000096041582 185070716 /nfs/dbraw/zinc/07/07/16/185070716.db2.gz AEFALYDWQYEZRU-ARFHVFGLSA-N 1 2 291.395 1.579 40 0 CDABLO Cn1cc(C[N@H+]2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)cn1 ZINC000096041582 185070717 /nfs/dbraw/zinc/07/07/17/185070717.db2.gz AEFALYDWQYEZRU-ARFHVFGLSA-N 1 2 291.395 1.579 40 0 CDABLO COCc1nnc2n1CC[N@@H+](Cc1cccnc1)[C@@H]2C ZINC000585097017 342211846 /nfs/dbraw/zinc/21/18/46/342211846.db2.gz DVWIOIHTIHGAHV-LLVKDONJSA-N 1 2 273.340 1.396 40 0 CDABLO COCc1nnc2n1CC[N@H+](Cc1cccnc1)[C@@H]2C ZINC000585097017 342211847 /nfs/dbraw/zinc/21/18/47/342211847.db2.gz DVWIOIHTIHGAHV-LLVKDONJSA-N 1 2 273.340 1.396 40 0 CDABLO COCc1nnc2n1CC[N@@H+](CC1=CCCOC1)[C@@H]2C ZINC000585097232 342211859 /nfs/dbraw/zinc/21/18/59/342211859.db2.gz IUTPIRPPMLXKIY-LLVKDONJSA-N 1 2 278.356 1.148 40 0 CDABLO COCc1nnc2n1CC[N@H+](CC1=CCCOC1)[C@@H]2C ZINC000585097232 342211860 /nfs/dbraw/zinc/21/18/60/342211860.db2.gz IUTPIRPPMLXKIY-LLVKDONJSA-N 1 2 278.356 1.148 40 0 CDABLO COCC1CC[NH+](Cn2ncsc2=S)CC1 ZINC000079002265 362126426 /nfs/dbraw/zinc/12/64/26/362126426.db2.gz VLKULALLISTGSD-UHFFFAOYSA-N 1 2 259.400 1.990 40 0 CDABLO Cc1cccc(CO[C@H]2CCOC3(C[NH+](C)C3)C2)n1 ZINC000247876432 362137127 /nfs/dbraw/zinc/13/71/27/362137127.db2.gz OWWCDHSGPYBOHA-AWEZNQCLSA-N 1 2 262.353 1.770 40 0 CDABLO COCCOC1CN(C(=O)Nc2ccc(C)[nH+]c2C)C1 ZINC000332482464 362554759 /nfs/dbraw/zinc/55/47/59/362554759.db2.gz VRKNTXHRHURQAQ-UHFFFAOYSA-N 1 2 279.340 1.578 40 0 CDABLO CN(C(=O)Cn1cccn1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257303093 362583931 /nfs/dbraw/zinc/58/39/31/362583931.db2.gz SFSYNACDEKNHOC-AWEZNQCLSA-N 1 2 299.378 1.406 40 0 CDABLO CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OCC(=O)[O-])cc1 ZINC000022936853 356398901 /nfs/dbraw/zinc/39/89/01/356398901.db2.gz UYMSHDPXTHYBSW-AWEZNQCLSA-N 1 2 292.379 1.724 40 0 CDABLO CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OCC(=O)[O-])cc1 ZINC000022936853 356398906 /nfs/dbraw/zinc/39/89/06/356398906.db2.gz UYMSHDPXTHYBSW-AWEZNQCLSA-N 1 2 292.379 1.724 40 0 CDABLO CCCCCC[C@@H](C[NH+]1CCOCC1)N1CCOCC1 ZINC000019204053 356476171 /nfs/dbraw/zinc/47/61/71/356476171.db2.gz RJCKYSSDDBLBMG-INIZCTEOSA-N 1 2 284.444 1.990 40 0 CDABLO COC(=O)C[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCOCC1 ZINC000031938714 291112753 /nfs/dbraw/zinc/11/27/53/291112753.db2.gz UGTRXCFGKOMVDA-LBPRGKRZSA-N 1 2 293.319 1.352 40 0 CDABLO COC(=O)C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000036878851 356888270 /nfs/dbraw/zinc/88/82/70/356888270.db2.gz CHWBUUQYJPCVRW-UHFFFAOYSA-N 1 2 272.345 1.149 40 0 CDABLO C[N@H+]1Cc2cc3c(c([Si](C)(C)C)c2[C@H](O)C1)OCO3 ZINC000196807594 283252871 /nfs/dbraw/zinc/25/28/71/283252871.db2.gz QTHOGRWVGBVQIQ-SNVBAGLBSA-N 1 2 279.412 1.439 40 0 CDABLO C[N@@H+]1Cc2cc3c(c([Si](C)(C)C)c2[C@H](O)C1)OCO3 ZINC000196807594 283252876 /nfs/dbraw/zinc/25/28/76/283252876.db2.gz QTHOGRWVGBVQIQ-SNVBAGLBSA-N 1 2 279.412 1.439 40 0 CDABLO COC(=O)N1CC[NH+](Cc2cccc(N)c2F)CC1 ZINC000069593674 357683862 /nfs/dbraw/zinc/68/38/62/357683862.db2.gz QPDHXGBVJICHLM-UHFFFAOYSA-N 1 2 267.304 1.292 40 0 CDABLO Cc1noc([C@H]2CN(c3cc(C)[nH+]cn3)CCO2)n1 ZINC000072385574 357832186 /nfs/dbraw/zinc/83/21/86/357832186.db2.gz MAPLYDNZYYDKNM-SNVBAGLBSA-N 1 2 261.285 1.054 40 0 CDABLO O=C(c1cnco1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000082311102 358159143 /nfs/dbraw/zinc/15/91/43/358159143.db2.gz TWRNGKMZJRSLFH-UHFFFAOYSA-N 1 2 271.320 1.633 40 0 CDABLO O=S(=O)(C1CC1)N1CCC2(CN(c3cccc[nH+]3)C2)C1 ZINC000096202616 358719216 /nfs/dbraw/zinc/71/92/16/358719216.db2.gz AIIYCMMCFMBRDE-UHFFFAOYSA-N 1 2 293.392 1.086 40 0 CDABLO Cc1ccc(C[N@H+]2C[C@H]3C[C@H](C(=O)N(C)C)[C@@H](C2)O3)o1 ZINC000096252791 358728071 /nfs/dbraw/zinc/72/80/71/358728071.db2.gz XEXAJCSBTMUWTH-HZSPNIEDSA-N 1 2 278.352 1.266 40 0 CDABLO Cc1ccc(C[N@@H+]2C[C@H]3C[C@H](C(=O)N(C)C)[C@@H](C2)O3)o1 ZINC000096252791 358728072 /nfs/dbraw/zinc/72/80/72/358728072.db2.gz XEXAJCSBTMUWTH-HZSPNIEDSA-N 1 2 278.352 1.266 40 0 CDABLO Cc1cc(S(=O)(=O)NCCCn2cc[nH+]c2)ccc1F ZINC000101370772 358843944 /nfs/dbraw/zinc/84/39/44/358843944.db2.gz FMNCYXJKRVUOFI-UHFFFAOYSA-O 1 2 298.363 1.118 40 0 CDABLO COC(=O)[C@@H](C)N(CC[N@@H+]1CCOC[C@@H]1C)C1CCC1 ZINC000225629041 291232101 /nfs/dbraw/zinc/23/21/01/291232101.db2.gz SKAGQPWLEVLOEV-QWHCGFSZSA-N 1 2 284.400 1.123 40 0 CDABLO COC(=O)[C@@H](C)N(CC[N@H+]1CCOC[C@@H]1C)C1CCC1 ZINC000225629041 291232103 /nfs/dbraw/zinc/23/21/03/291232103.db2.gz SKAGQPWLEVLOEV-QWHCGFSZSA-N 1 2 284.400 1.123 40 0 CDABLO CN(CC1CCOCC1)c1nc[nH+]c(N)c1Cl ZINC000225484116 374493360 /nfs/dbraw/zinc/49/33/60/374493360.db2.gz RWUHTOWSESOOKX-UHFFFAOYSA-N 1 2 256.737 1.575 40 0 CDABLO CN(CC1CCOCC1)c1[nH+]cnc(N)c1Cl ZINC000225484116 374493362 /nfs/dbraw/zinc/49/33/62/374493362.db2.gz RWUHTOWSESOOKX-UHFFFAOYSA-N 1 2 256.737 1.575 40 0 CDABLO CC(C)Cn1nccc1C[NH2+]Cc1ccn(CCF)n1 ZINC000256054182 190004761 /nfs/dbraw/zinc/00/47/61/190004761.db2.gz VGAFPHXNIWLTPC-UHFFFAOYSA-N 1 2 279.363 1.995 40 0 CDABLO CNc1cc([C@@H]2CCC[N@@H+]2Cc2cc[nH]n2)nc(C)n1 ZINC000257233533 190017278 /nfs/dbraw/zinc/01/72/78/190017278.db2.gz GPQCPRDEUVYHSE-ZDUSSCGKSA-N 1 2 272.356 1.887 40 0 CDABLO CNc1cc([C@@H]2CCC[N@H+]2Cc2cc[nH]n2)nc(C)n1 ZINC000257233533 190017279 /nfs/dbraw/zinc/01/72/79/190017279.db2.gz GPQCPRDEUVYHSE-ZDUSSCGKSA-N 1 2 272.356 1.887 40 0 CDABLO CNc1cc([C@@H]2CCCN2Cc2cc[nH]n2)[nH+]c(C)n1 ZINC000257233533 190017280 /nfs/dbraw/zinc/01/72/80/190017280.db2.gz GPQCPRDEUVYHSE-ZDUSSCGKSA-N 1 2 272.356 1.887 40 0 CDABLO CCc1[nH+]ccn1-c1ccc(C(=O)Nc2ccnn2C)cn1 ZINC000257253597 190020494 /nfs/dbraw/zinc/02/04/94/190020494.db2.gz JZNLBMVMWXRDHO-UHFFFAOYSA-N 1 2 296.334 1.816 40 0 CDABLO C[C@@]1(c2cc[nH]n2)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000257239184 190017618 /nfs/dbraw/zinc/01/76/18/190017618.db2.gz HOGKWKNVKJEQFR-CQSZACIVSA-N 1 2 273.340 1.187 40 0 CDABLO COCCNc1cccc(C[C@H]2CCN(C(C)=O)C2)[nH+]1 ZINC000257244704 190018965 /nfs/dbraw/zinc/01/89/65/190018965.db2.gz IMKXHFLRGNJWQH-CYBMUJFWSA-N 1 2 277.368 1.551 40 0 CDABLO C[N@@H+]1CCO[C@@](C)(C(=O)Nc2cc(C(C)(C)C)no2)C1 ZINC000257249899 190019772 /nfs/dbraw/zinc/01/97/72/190019772.db2.gz JKEOLXJKPFPAOT-CQSZACIVSA-N 1 2 281.356 1.631 40 0 CDABLO C[N@H+]1CCO[C@@](C)(C(=O)Nc2cc(C(C)(C)C)no2)C1 ZINC000257249899 190019773 /nfs/dbraw/zinc/01/97/73/190019773.db2.gz JKEOLXJKPFPAOT-CQSZACIVSA-N 1 2 281.356 1.631 40 0 CDABLO Cc1cn(C)c([C@H]2CCN(S(=O)(=O)C3CCCC3)C2)[nH+]1 ZINC000257253835 190021147 /nfs/dbraw/zinc/02/11/47/190021147.db2.gz KAKYKXWGLHGOIL-LBPRGKRZSA-N 1 2 297.424 1.790 40 0 CDABLO CNc1cccc([C@@H]2C[N@H+](Cc3c[nH]nc3C)CCO2)n1 ZINC000257280419 190025423 /nfs/dbraw/zinc/02/54/23/190025423.db2.gz OKTMBDMLXNHYAH-AWEZNQCLSA-N 1 2 287.367 1.728 40 0 CDABLO CNc1cccc([C@@H]2C[N@@H+](Cc3c[nH]nc3C)CCO2)n1 ZINC000257280419 190025424 /nfs/dbraw/zinc/02/54/24/190025424.db2.gz OKTMBDMLXNHYAH-AWEZNQCLSA-N 1 2 287.367 1.728 40 0 CDABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC000257288281 190026719 /nfs/dbraw/zinc/02/67/19/190026719.db2.gz PTPGDWYNDWIHAE-CYBMUJFWSA-N 1 2 287.367 1.331 40 0 CDABLO Cc1ncc(C[N@@H+]2CCOC[C@@H]2CCc2cnccn2)cn1 ZINC000257328671 190035229 /nfs/dbraw/zinc/03/52/29/190035229.db2.gz XGQUVXZFFCJGNJ-INIZCTEOSA-N 1 2 299.378 1.409 40 0 CDABLO Cc1ncc(C[N@H+]2CCOC[C@@H]2CCc2cnccn2)cn1 ZINC000257328671 190035230 /nfs/dbraw/zinc/03/52/30/190035230.db2.gz XGQUVXZFFCJGNJ-INIZCTEOSA-N 1 2 299.378 1.409 40 0 CDABLO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)C(=O)OC(C)(C)C ZINC000300423474 376556547 /nfs/dbraw/zinc/55/65/47/376556547.db2.gz SINCIOFMDCMHQQ-WCQGTBRESA-N 1 2 255.358 1.874 40 0 CDABLO CC(=O)N1CCN(c2[nH+]cc([C@H](C)O)cc2C)CC1 ZINC000072222690 390623953 /nfs/dbraw/zinc/62/39/53/390623953.db2.gz HSNKQTXNXMYOOI-NSHDSACASA-N 1 2 263.341 1.112 40 0 CDABLO Nc1ccc(SCCCc2c(N)nc(N)[nH+]c2N)cc1 ZINC000004830524 170025663 /nfs/dbraw/zinc/02/56/63/170025663.db2.gz LXONPTGFFFFVRP-UHFFFAOYSA-N 1 2 290.396 1.530 40 0 CDABLO NC(=O)C[N@@H+]1CCC[C@H]1c1cncc(Nc2ccccn2)n1 ZINC000072383074 176388072 /nfs/dbraw/zinc/38/80/72/176388072.db2.gz BDINQQYOAJTAHW-LBPRGKRZSA-N 1 2 298.350 1.237 40 0 CDABLO NC(=O)C[N@H+]1CCC[C@H]1c1cncc(Nc2ccccn2)n1 ZINC000072383074 176388073 /nfs/dbraw/zinc/38/80/73/176388073.db2.gz BDINQQYOAJTAHW-LBPRGKRZSA-N 1 2 298.350 1.237 40 0 CDABLO Cc1ccc(N2CCN(C)c3[nH+]cccc3C2)nn1 ZINC000096045653 185071141 /nfs/dbraw/zinc/07/11/41/185071141.db2.gz DZFNUDKTAJPNMD-UHFFFAOYSA-N 1 2 255.325 1.636 40 0 CDABLO CC(=O)N1CCC[C@]2(C1)C[N@H+](Cc1ccc(C)o1)CCO2 ZINC000096049097 185073112 /nfs/dbraw/zinc/07/31/12/185073112.db2.gz OWNHKUYXZFXBMO-MRXNPFEDSA-N 1 2 292.379 1.801 40 0 CDABLO CC(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1ccc(C)o1)CCO2 ZINC000096049097 185073113 /nfs/dbraw/zinc/07/31/13/185073113.db2.gz OWNHKUYXZFXBMO-MRXNPFEDSA-N 1 2 292.379 1.801 40 0 CDABLO CC(=O)N1CCC[C@]2(C1)C[N@H+](Cc1ccoc1)CCO2 ZINC000096049100 185073227 /nfs/dbraw/zinc/07/32/27/185073227.db2.gz LMQQXODHUNVEDO-OAHLLOKOSA-N 1 2 278.352 1.493 40 0 CDABLO CC(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1ccoc1)CCO2 ZINC000096049100 185073230 /nfs/dbraw/zinc/07/32/30/185073230.db2.gz LMQQXODHUNVEDO-OAHLLOKOSA-N 1 2 278.352 1.493 40 0 CDABLO COC[C@@H]1C[N@H+](Cc2ccco2)Cc2cn(C)nc21 ZINC000096059802 185081214 /nfs/dbraw/zinc/08/12/14/185081214.db2.gz PAYYNHDIPSKMTD-LBPRGKRZSA-N 1 2 261.325 1.759 40 0 CDABLO COC[C@@H]1C[N@@H+](Cc2ccco2)Cc2cn(C)nc21 ZINC000096059802 185081216 /nfs/dbraw/zinc/08/12/16/185081216.db2.gz PAYYNHDIPSKMTD-LBPRGKRZSA-N 1 2 261.325 1.759 40 0 CDABLO CN1CCN(C(=O)Cc2ccccn2)Cc2ccc[nH+]c21 ZINC000096069171 185085556 /nfs/dbraw/zinc/08/55/56/185085556.db2.gz PZOSTXZQSQUUOM-UHFFFAOYSA-N 1 2 282.347 1.498 40 0 CDABLO CCOCc1cnc2n1CC[N@@H+](Cc1cnn(C)c1)[C@H]2C ZINC000096109655 185099521 /nfs/dbraw/zinc/09/95/21/185099521.db2.gz CJEZLCACPQHMFL-LBPRGKRZSA-N 1 2 289.383 1.730 40 0 CDABLO CCOCc1cnc2n1CC[N@H+](Cc1cnn(C)c1)[C@H]2C ZINC000096109655 185099522 /nfs/dbraw/zinc/09/95/22/185099522.db2.gz CJEZLCACPQHMFL-LBPRGKRZSA-N 1 2 289.383 1.730 40 0 CDABLO COCCc1c[nH+]c2n1CCN(C(=O)C1(F)CCC1)[C@@H]2C ZINC000585097964 342211503 /nfs/dbraw/zinc/21/15/03/342211503.db2.gz PUNHUUMPXAAALY-LLVKDONJSA-N 1 2 295.358 1.867 40 0 CDABLO OC[C@H]1CCn2nccc2C[N@@H+]1Cc1ccncc1 ZINC000585098293 342211745 /nfs/dbraw/zinc/21/17/45/342211745.db2.gz VQZFZTNKPUZRRP-CQSZACIVSA-N 1 2 258.325 1.045 40 0 CDABLO OC[C@H]1CCn2nccc2C[N@H+]1Cc1ccncc1 ZINC000585098293 342211746 /nfs/dbraw/zinc/21/17/46/342211746.db2.gz VQZFZTNKPUZRRP-CQSZACIVSA-N 1 2 258.325 1.045 40 0 CDABLO Cc1ccc(C[N@@H+]2Cc3ccnn3CC[C@@H]2CO)o1 ZINC000585096997 342211781 /nfs/dbraw/zinc/21/17/81/342211781.db2.gz GMUIWFQMZXWRCQ-CYBMUJFWSA-N 1 2 261.325 1.551 40 0 CDABLO Cc1ccc(C[N@H+]2Cc3ccnn3CC[C@@H]2CO)o1 ZINC000585096997 342211782 /nfs/dbraw/zinc/21/17/82/342211782.db2.gz GMUIWFQMZXWRCQ-CYBMUJFWSA-N 1 2 261.325 1.551 40 0 CDABLO COC[C@@H]1C[N@H+](Cc2scnc2C)Cc2c1cnn2C ZINC000248032312 362145411 /nfs/dbraw/zinc/14/54/11/362145411.db2.gz LQOGGUCAKPLXSF-NSHDSACASA-N 1 2 292.408 1.931 40 0 CDABLO COC[C@@H]1C[N@@H+](Cc2scnc2C)Cc2c1cnn2C ZINC000248032312 362145414 /nfs/dbraw/zinc/14/54/14/362145414.db2.gz LQOGGUCAKPLXSF-NSHDSACASA-N 1 2 292.408 1.931 40 0 CDABLO COC[C@@H]1CN(C(=O)c2cc(C)oc2C)Cc2c[nH+]cn21 ZINC000247896376 362138548 /nfs/dbraw/zinc/13/85/48/362138548.db2.gz UXWOMFXXKZKMCO-ZDUSSCGKSA-N 1 2 289.335 1.936 40 0 CDABLO c1cc(C[N@H+]2CCO[C@@H]3[C@H](Cn4cnnc4)CC[C@@H]32)co1 ZINC000247924977 362139335 /nfs/dbraw/zinc/13/93/35/362139335.db2.gz AKJOKRVXLNGHNC-SOUVJXGZSA-N 1 2 288.351 1.551 40 0 CDABLO c1cc(C[N@@H+]2CCO[C@@H]3[C@H](Cn4cnnc4)CC[C@@H]32)co1 ZINC000247924977 362139339 /nfs/dbraw/zinc/13/93/39/362139339.db2.gz AKJOKRVXLNGHNC-SOUVJXGZSA-N 1 2 288.351 1.551 40 0 CDABLO CCN1CNC(Nc2nc(C)c3cc(C)ccc3n2)=[NH+]C1 ZINC000019324439 356480496 /nfs/dbraw/zinc/48/04/96/356480496.db2.gz NWYQOKBXFLETJB-UHFFFAOYSA-N 1 2 284.367 1.855 40 0 CDABLO OCC[N@@H+]1CCO[C@@](O)(c2cccc(C(F)(F)F)c2)C1 ZINC000031771862 356769130 /nfs/dbraw/zinc/76/91/30/356769130.db2.gz PAFDHXLIBLVPAZ-GFCCVEGCSA-N 1 2 291.269 1.175 40 0 CDABLO OCC[N@H+]1CCO[C@@](O)(c2cccc(C(F)(F)F)c2)C1 ZINC000031771862 356769132 /nfs/dbraw/zinc/76/91/32/356769132.db2.gz PAFDHXLIBLVPAZ-GFCCVEGCSA-N 1 2 291.269 1.175 40 0 CDABLO COc1cccc(CN(C)c2nc[nH+]c(N)c2Cl)n1 ZINC000225488858 374495525 /nfs/dbraw/zinc/49/55/25/374495525.db2.gz MUHVQDKKESRCHQ-UHFFFAOYSA-N 1 2 279.731 1.752 40 0 CDABLO COc1cccc(CN(C)c2[nH+]cnc(N)c2Cl)n1 ZINC000225488858 374495533 /nfs/dbraw/zinc/49/55/33/374495533.db2.gz MUHVQDKKESRCHQ-UHFFFAOYSA-N 1 2 279.731 1.752 40 0 CDABLO Cc1cc(C[NH2+]Cc2ccn(CC(F)(F)F)n2)n(C)n1 ZINC000256052354 190004570 /nfs/dbraw/zinc/00/45/70/190004570.db2.gz MZJYNPSZAINBRU-UHFFFAOYSA-N 1 2 287.289 1.777 40 0 CDABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2ccc3n[nH]nc3c2)[nH+]1 ZINC000257246030 190019582 /nfs/dbraw/zinc/01/95/82/190019582.db2.gz ISCXILLGSOBZRN-ZDUSSCGKSA-N 1 2 296.334 1.967 40 0 CDABLO Cc1nn(C)cc1C(=O)N1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000257303059 190030681 /nfs/dbraw/zinc/03/06/81/190030681.db2.gz SFQFDDZAMBPLQG-INIZCTEOSA-N 1 2 298.390 1.857 40 0 CDABLO Cc1nn(C)cc1C(=O)N1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000257303059 190030682 /nfs/dbraw/zinc/03/06/82/190030682.db2.gz SFQFDDZAMBPLQG-INIZCTEOSA-N 1 2 298.390 1.857 40 0 CDABLO CS(=O)(=O)N1CCC[C@@H](c2cccc3[nH+]ccn32)C1 ZINC000257325155 190034408 /nfs/dbraw/zinc/03/44/08/190034408.db2.gz WRRWTRIALGBCSA-LLVKDONJSA-N 1 2 279.365 1.473 40 0 CDABLO O=C1CCCN1C[C@@H]([NH2+]Cc1ncc[nH]1)c1ccccc1 ZINC000067672694 296319597 /nfs/dbraw/zinc/31/95/97/296319597.db2.gz HPLLOOZPTCGPNL-CQSZACIVSA-N 1 2 284.363 1.863 40 0 CDABLO Cc1noc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)n1 ZINC000289322241 197297052 /nfs/dbraw/zinc/29/70/52/197297052.db2.gz CMKVOLZXDOBFJK-HIFRSBDPSA-N 1 2 272.352 1.913 40 0 CDABLO O=CN1CCCC[C@H]1c1ccc(N2CCOCC2)[nH+]c1 ZINC000072216194 390621336 /nfs/dbraw/zinc/62/13/36/390621336.db2.gz IZXGVNDWMMLBDV-AWEZNQCLSA-N 1 2 275.352 1.602 40 0 CDABLO COc1ccccc1/C=C/C(=O)NCC[NH+]1CCOCC1 ZINC000019721989 391326754 /nfs/dbraw/zinc/32/67/54/391326754.db2.gz FDOMVLYSWUBPOI-VOTSOKGWSA-N 1 2 290.363 1.157 40 0 CDABLO CC(=O)N1CCCC[C@H]1CCc1cnc(-n2cc[nH+]c2)cn1 ZINC000072364809 176379956 /nfs/dbraw/zinc/37/99/56/176379956.db2.gz UMQFIROHJUHYJX-HNNXBMFYSA-N 1 2 299.378 1.996 40 0 CDABLO Cc1nc(NCc2cccnc2)cc([C@H]2COCC[NH2+]2)n1 ZINC000072366278 176381273 /nfs/dbraw/zinc/38/12/73/176381273.db2.gz FLKXIWXADRQQMD-CQSZACIVSA-N 1 2 285.351 1.453 40 0 CDABLO O=C(CSCc1ccccc1)NCC[NH+]1CCOCC1 ZINC000048090315 327277655 /nfs/dbraw/zinc/27/76/55/327277655.db2.gz MWGDKNCHZISOSN-UHFFFAOYSA-N 1 2 294.420 1.368 40 0 CDABLO O=C(Cc1[nH]cc[nH+]1)N1CCSC2(CCC2)CC1 ZINC000854931989 746936329 /nfs/dbraw/zinc/93/63/29/746936329.db2.gz UYPSINIIUXNIJO-UHFFFAOYSA-N 1 2 265.382 1.840 40 0 CDABLO CCOC[C@H]1C[N@H+](Cc2ccccn2)Cc2cn(C)nc21 ZINC000096059845 185081610 /nfs/dbraw/zinc/08/16/10/185081610.db2.gz VRYNIPMTZWLJPQ-CQSZACIVSA-N 1 2 286.379 1.951 40 0 CDABLO CCOC[C@H]1C[N@@H+](Cc2ccccn2)Cc2cn(C)nc21 ZINC000096059845 185081611 /nfs/dbraw/zinc/08/16/11/185081611.db2.gz VRYNIPMTZWLJPQ-CQSZACIVSA-N 1 2 286.379 1.951 40 0 CDABLO COCCc1c[nH+]c2n1CCN(C(=O)c1ccco1)[C@H]2C ZINC000585097757 342211532 /nfs/dbraw/zinc/21/15/32/342211532.db2.gz NVWQLBIPMPBZIO-NSHDSACASA-N 1 2 289.335 1.882 40 0 CDABLO Cc1ccc(C(=O)N2Cc3[nH+]cn(C)c3C[C@H]2CO)cc1 ZINC000585094738 342211203 /nfs/dbraw/zinc/21/12/03/342211203.db2.gz JXNMFTDVWKSUGM-ZDUSSCGKSA-N 1 2 285.347 1.288 40 0 CDABLO C[C@H]1C[C@@H]1C(=O)N1CCc2[nH+]cc(-c3cccnc3)n2CC1 ZINC000585111396 342213465 /nfs/dbraw/zinc/21/34/65/342213465.db2.gz SAJLLSDKUCQYLT-JSGCOSHPSA-N 1 2 296.374 1.986 40 0 CDABLO COCCc1c[nH+]c2n1CCN(C(=O)C1(F)CCC1)[C@H]2C ZINC000585097965 342211626 /nfs/dbraw/zinc/21/16/26/342211626.db2.gz PUNHUUMPXAAALY-NSHDSACASA-N 1 2 295.358 1.867 40 0 CDABLO C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)Cn1cc[nH+]c1 ZINC000081798433 362214146 /nfs/dbraw/zinc/21/41/46/362214146.db2.gz BHTXBIVUBQQGPY-LBPRGKRZSA-N 1 2 287.367 1.410 40 0 CDABLO CNc1cccc([C@@H]2CN(c3cc[nH+]c(C)n3)CCO2)n1 ZINC000257252580 362580506 /nfs/dbraw/zinc/58/05/06/362580506.db2.gz JVGOXCSQEGHVJT-ZDUSSCGKSA-N 1 2 285.351 1.800 40 0 CDABLO Cc1cc(N2CCO[C@H](Cc3cccnc3)C2)nc[nH+]1 ZINC000257341785 362588375 /nfs/dbraw/zinc/58/83/75/362588375.db2.gz ZLYJBWLKMWGXQX-CQSZACIVSA-N 1 2 270.336 1.628 40 0 CDABLO COC(=O)CCN1CC[N@H+](Cc2ccc(C)o2)[C@@H](C)C1 ZINC000154769776 351334252 /nfs/dbraw/zinc/33/42/52/351334252.db2.gz JPENZDFWDCPJBT-LBPRGKRZSA-N 1 2 280.368 1.657 40 0 CDABLO COC(=O)CCN1CC[N@@H+](Cc2ccc(C)o2)[C@@H](C)C1 ZINC000154769776 351334256 /nfs/dbraw/zinc/33/42/56/351334256.db2.gz JPENZDFWDCPJBT-LBPRGKRZSA-N 1 2 280.368 1.657 40 0 CDABLO Cc1cc(N[C@H]2CCC(=O)N(C)C2)nc(-c2cccnc2)[nH+]1 ZINC000150877972 363020091 /nfs/dbraw/zinc/02/00/91/363020091.db2.gz IOFHBBRYVHCAGT-ZDUSSCGKSA-N 1 2 297.362 1.880 40 0 CDABLO CNC(=O)CC[N@@H+]1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000075023706 366171425 /nfs/dbraw/zinc/17/14/25/366171425.db2.gz ZTLNQVAYXWQHLB-VIFPVBQESA-N 1 2 288.800 1.911 40 0 CDABLO CNC(=O)CC[N@H+]1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000075023706 366171433 /nfs/dbraw/zinc/17/14/33/366171433.db2.gz ZTLNQVAYXWQHLB-VIFPVBQESA-N 1 2 288.800 1.911 40 0 CDABLO COc1ccc2c(cc(C(=O)NCc3[nH+]ccn3C)n2C)c1 ZINC000019291522 356479544 /nfs/dbraw/zinc/47/95/44/356479544.db2.gz IGDVTYYMTYJGOF-UHFFFAOYSA-N 1 2 298.346 1.850 40 0 CDABLO Cc1cc(C)n(C[C@H](C)C(=O)NCc2[nH+]ccn2C)n1 ZINC000019573602 356492397 /nfs/dbraw/zinc/49/23/97/356492397.db2.gz UPZQBYFTUMXAME-JTQLQIEISA-N 1 2 275.356 1.186 40 0 CDABLO COCCC(=O)N1CCC(c2cc(C[NH+](C)C)[nH]n2)CC1 ZINC000019708940 356497049 /nfs/dbraw/zinc/49/70/49/356497049.db2.gz GDRKULBMPQMGNC-UHFFFAOYSA-N 1 2 294.399 1.214 40 0 CDABLO C[N@H+](Cc1cccc(F)c1)[C@]1(C)CCS(=O)(=O)C1 ZINC000575422271 356808019 /nfs/dbraw/zinc/80/80/19/356808019.db2.gz UMSBOIMVDGMZKP-CYBMUJFWSA-N 1 2 271.357 1.835 40 0 CDABLO C[N@@H+](Cc1cccc(F)c1)[C@]1(C)CCS(=O)(=O)C1 ZINC000575422271 356808022 /nfs/dbraw/zinc/80/80/22/356808022.db2.gz UMSBOIMVDGMZKP-CYBMUJFWSA-N 1 2 271.357 1.835 40 0 CDABLO c1csc(CNc2cc(N3CCOCC3)nc[nH+]2)n1 ZINC000277389992 366437072 /nfs/dbraw/zinc/43/70/72/366437072.db2.gz IXQJEHFJWFATFK-UHFFFAOYSA-N 1 2 277.353 1.382 40 0 CDABLO c1csc(CNc2cc(N3CCOCC3)[nH+]cn2)n1 ZINC000277389992 366437081 /nfs/dbraw/zinc/43/70/81/366437081.db2.gz IXQJEHFJWFATFK-UHFFFAOYSA-N 1 2 277.353 1.382 40 0 CDABLO O=C(CC1CC1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC000096196970 358716536 /nfs/dbraw/zinc/71/65/36/358716536.db2.gz GTQFFHKHWZYTMZ-UHFFFAOYSA-N 1 2 299.378 1.313 40 0 CDABLO CCc1c(C)nc2cc([C@@H]3CCC[NH2+]C3)[nH]n2c1=O ZINC000100227236 358823322 /nfs/dbraw/zinc/82/33/22/358823322.db2.gz RQXFKFQTNAWVMX-SNVBAGLBSA-N 1 2 260.341 1.773 40 0 CDABLO COc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1F ZINC000049083583 361451144 /nfs/dbraw/zinc/45/11/44/361451144.db2.gz OMPBWHUKFIKJRL-UHFFFAOYSA-N 1 2 277.299 1.851 40 0 CDABLO CCNc1nc(N2CCOCC2)c2ccccc2[nH+]1 ZINC000004186297 364796246 /nfs/dbraw/zinc/79/62/46/364796246.db2.gz ZBHJEXOZIRSJFL-UHFFFAOYSA-N 1 2 258.325 1.898 40 0 CDABLO O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000333380614 205273553 /nfs/dbraw/zinc/27/35/53/205273553.db2.gz BCHUXALUUFKZDD-KXNHARMFSA-N 1 2 259.353 1.819 40 0 CDABLO O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000333380614 205273557 /nfs/dbraw/zinc/27/35/57/205273557.db2.gz BCHUXALUUFKZDD-KXNHARMFSA-N 1 2 259.353 1.819 40 0 CDABLO O=C(N[C@@H]1c2ccccc2C[C@H]1O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000225512236 374628896 /nfs/dbraw/zinc/62/88/96/374628896.db2.gz RVXFNSFYLBGRJH-HFBAOOFYSA-N 1 2 297.358 1.289 40 0 CDABLO O=C(N[C@@H]1c2ccccc2C[C@H]1O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000225512236 374628900 /nfs/dbraw/zinc/62/89/00/374628900.db2.gz RVXFNSFYLBGRJH-HFBAOOFYSA-N 1 2 297.358 1.289 40 0 CDABLO COc1ccc(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)cn1 ZINC000225520236 374652616 /nfs/dbraw/zinc/65/26/16/374652616.db2.gz NSKONBPQWHPXHT-SNVBAGLBSA-N 1 2 286.335 1.865 40 0 CDABLO COc1ccc(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)cn1 ZINC000225520236 374652619 /nfs/dbraw/zinc/65/26/19/374652619.db2.gz NSKONBPQWHPXHT-SNVBAGLBSA-N 1 2 286.335 1.865 40 0 CDABLO CCn1ccc(C[NH2+]Cc2cnn(CC(F)(F)F)c2)n1 ZINC000256053243 190005070 /nfs/dbraw/zinc/00/50/70/190005070.db2.gz QQVLLGFHYVZGEO-UHFFFAOYSA-N 1 2 287.289 1.952 40 0 CDABLO CCn1ncc(C[NH2+]Cc2ccnn2C(F)F)c1F ZINC000256053027 190004134 /nfs/dbraw/zinc/00/41/34/190004134.db2.gz PRVZDTABWDIANM-UHFFFAOYSA-N 1 2 273.262 1.924 40 0 CDABLO Cc1nn(C)cc1C[NH2+]Cc1ccn(CC(F)F)n1 ZINC000256052206 190004600 /nfs/dbraw/zinc/00/46/00/190004600.db2.gz MIKZEMNXWNUKTE-UHFFFAOYSA-N 1 2 269.299 1.480 40 0 CDABLO Cc1cnc(C(=O)N2CC[N@@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000257255369 190021069 /nfs/dbraw/zinc/02/10/69/190021069.db2.gz KHEGNJYUDWCQGV-INIZCTEOSA-N 1 2 296.374 1.914 40 0 CDABLO Cc1cnc(C(=O)N2CC[N@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000257255369 190021070 /nfs/dbraw/zinc/02/10/70/190021070.db2.gz KHEGNJYUDWCQGV-INIZCTEOSA-N 1 2 296.374 1.914 40 0 CDABLO Cc1[nH+]c[nH]c1CN1CCO[C@H](c2cc(C)nc(C)n2)C1 ZINC000257313453 190032223 /nfs/dbraw/zinc/03/22/23/190032223.db2.gz USMWCIPHNQXBJN-HNNXBMFYSA-N 1 2 287.367 1.698 40 0 CDABLO COC[C@H]1C[N@H+](Cc2cccnc2)Cc2nn(C)cc21 ZINC000096060366 390912490 /nfs/dbraw/zinc/91/24/90/390912490.db2.gz OKNLHSWYLIIPBO-CYBMUJFWSA-N 1 2 272.352 1.561 40 0 CDABLO COC[C@H]1C[N@@H+](Cc2cccnc2)Cc2nn(C)cc21 ZINC000096060366 390912492 /nfs/dbraw/zinc/91/24/92/390912492.db2.gz OKNLHSWYLIIPBO-CYBMUJFWSA-N 1 2 272.352 1.561 40 0 CDABLO O=C([O-])COc1ccccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000062716851 392802713 /nfs/dbraw/zinc/80/27/13/392802713.db2.gz GKXQBMQYVAKWAD-UHFFFAOYSA-N 1 2 289.335 1.526 40 0 CDABLO Cn1c(C[N@H+](C)CCN2CCOC2=O)nc2ccccc21 ZINC000083219608 342450431 /nfs/dbraw/zinc/45/04/31/342450431.db2.gz IILMITNAICDWMA-UHFFFAOYSA-N 1 2 288.351 1.457 40 0 CDABLO Cn1c(C[N@@H+](C)CCN2CCOC2=O)nc2ccccc21 ZINC000083219608 342450432 /nfs/dbraw/zinc/45/04/32/342450432.db2.gz IILMITNAICDWMA-UHFFFAOYSA-N 1 2 288.351 1.457 40 0 CDABLO COc1ccc([C@H]([NH3+])c2nnc(Cn3cccn3)[nH]2)cc1 ZINC000095533698 185005715 /nfs/dbraw/zinc/00/57/15/185005715.db2.gz LGTXATPWLSTSNU-ZDUSSCGKSA-N 1 2 284.323 1.106 40 0 CDABLO COC[C@@H]1C[N@H+](Cc2cccnc2)Cc2nn(C)cc21 ZINC000096060367 185079927 /nfs/dbraw/zinc/07/99/27/185079927.db2.gz OKNLHSWYLIIPBO-ZDUSSCGKSA-N 1 2 272.352 1.561 40 0 CDABLO COC[C@@H]1C[N@@H+](Cc2cccnc2)Cc2nn(C)cc21 ZINC000096060367 185079929 /nfs/dbraw/zinc/07/99/29/185079929.db2.gz OKNLHSWYLIIPBO-ZDUSSCGKSA-N 1 2 272.352 1.561 40 0 CDABLO OC[C@@H]1CCn2nccc2C[N@@H+]1Cc1ccccn1 ZINC000585097237 342211920 /nfs/dbraw/zinc/21/19/20/342211920.db2.gz IZUAXLQMXCVTCA-AWEZNQCLSA-N 1 2 258.325 1.045 40 0 CDABLO OC[C@@H]1CCn2nccc2C[N@H+]1Cc1ccccn1 ZINC000585097237 342211921 /nfs/dbraw/zinc/21/19/21/342211921.db2.gz IZUAXLQMXCVTCA-AWEZNQCLSA-N 1 2 258.325 1.045 40 0 CDABLO O=C(Cc1cccnc1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000131021243 136389098 /nfs/dbraw/zinc/38/90/98/136389098.db2.gz NIBORMKMXTZWLL-OAHLLOKOSA-N 1 2 296.374 1.804 40 0 CDABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3cscn3)C2)[nH+]1 ZINC000257344882 362587734 /nfs/dbraw/zinc/58/77/34/362587734.db2.gz ZZANYZKXHPVCMX-JTQLQIEISA-N 1 2 276.365 1.815 40 0 CDABLO O=C(CCn1cc[nH+]c1)Nc1ccc2c(c1)OCC(=O)N2 ZINC000019346182 356480839 /nfs/dbraw/zinc/48/08/39/356480839.db2.gz NYGJKORHNCBNME-UHFFFAOYSA-N 1 2 286.291 1.243 40 0 CDABLO COC(=O)[C@@H](Cc1cccc(N)[nH+]1)C(=O)OC(C)(C)C ZINC000071620992 357767913 /nfs/dbraw/zinc/76/79/13/357767913.db2.gz XUXAQTMWUOWAGQ-SNVBAGLBSA-N 1 2 280.324 1.337 40 0 CDABLO c1cc(CN2C[C@@H]3COC[C@H](C2)[N@@H+]3CC2CC2)co1 ZINC000096252536 358727882 /nfs/dbraw/zinc/72/78/82/358727882.db2.gz KUHSNIMUAXLXNR-GASCZTMLSA-N 1 2 262.353 1.575 40 0 CDABLO c1cc(CN2C[C@@H]3COC[C@H](C2)[N@H+]3CC2CC2)co1 ZINC000096252536 358727887 /nfs/dbraw/zinc/72/78/87/358727887.db2.gz KUHSNIMUAXLXNR-GASCZTMLSA-N 1 2 262.353 1.575 40 0 CDABLO CNc1ncccc1C[N@@H+]1CCO[C@@H](Cc2cccnc2)C1 ZINC000257208273 190012429 /nfs/dbraw/zinc/01/24/29/190012429.db2.gz BLKXYNPLTIIVTO-INIZCTEOSA-N 1 2 298.390 1.962 40 0 CDABLO CNc1ncccc1C[N@H+]1CCO[C@@H](Cc2cccnc2)C1 ZINC000257208273 190012430 /nfs/dbraw/zinc/01/24/30/190012430.db2.gz BLKXYNPLTIIVTO-INIZCTEOSA-N 1 2 298.390 1.962 40 0 CDABLO CC(=O)N1CCC[C@H](Cc2c[nH+]cc(NCCO)c2)CC1 ZINC000257238235 190017870 /nfs/dbraw/zinc/01/78/70/190017870.db2.gz HKCAYUGCEHTOSP-AWEZNQCLSA-N 1 2 291.395 1.677 40 0 CDABLO CN1C(=O)CO[C@H]2C[N@@H+](Cc3ccc(F)cc3Cl)C[C@@H]21 ZINC000257260903 190022146 /nfs/dbraw/zinc/02/21/46/190022146.db2.gz LEYUEZMIVJVYTJ-STQMWFEESA-N 1 2 298.745 1.521 40 0 CDABLO CN1C(=O)CO[C@H]2C[N@H+](Cc3ccc(F)cc3Cl)C[C@@H]21 ZINC000257260903 190022147 /nfs/dbraw/zinc/02/21/47/190022147.db2.gz LEYUEZMIVJVYTJ-STQMWFEESA-N 1 2 298.745 1.521 40 0 CDABLO Cc1c[nH]c([C@@H]2C[N@H+](Cc3ccccn3)CCO2)n1 ZINC000257281679 190026169 /nfs/dbraw/zinc/02/61/69/190026169.db2.gz OQLKYSHDVKBWRY-ZDUSSCGKSA-N 1 2 258.325 1.687 40 0 CDABLO Cc1c[nH]c([C@@H]2C[N@@H+](Cc3ccccn3)CCO2)n1 ZINC000257281679 190026170 /nfs/dbraw/zinc/02/61/70/190026170.db2.gz OQLKYSHDVKBWRY-ZDUSSCGKSA-N 1 2 258.325 1.687 40 0 CDABLO C[C@]12CCCN(C(=O)c3cnccn3)[C@@H]1CCC[NH2+]2 ZINC000257325142 190033916 /nfs/dbraw/zinc/03/39/16/190033916.db2.gz WRQWQQKOTBNLRS-OCCSQVGLSA-N 1 2 260.341 1.223 40 0 CDABLO CC(C)C(=O)N[C@H]1CC[N@H+](Cc2nccs2)CC[C@@H]1O ZINC000257326591 190034563 /nfs/dbraw/zinc/03/45/63/190034563.db2.gz WXTWLXFZUGVDSF-RYUDHWBXSA-N 1 2 297.424 1.241 40 0 CDABLO CC(C)C(=O)N[C@H]1CC[N@@H+](Cc2nccs2)CC[C@@H]1O ZINC000257326591 190034564 /nfs/dbraw/zinc/03/45/64/190034564.db2.gz WXTWLXFZUGVDSF-RYUDHWBXSA-N 1 2 297.424 1.241 40 0 CDABLO CN1C(=O)CO[C@@H]2CC[N@@H+](Cc3ccc(Cl)cn3)C[C@@H]21 ZINC000257338532 190036397 /nfs/dbraw/zinc/03/63/97/190036397.db2.gz YXVKNHQIPNYBFP-QWHCGFSZSA-N 1 2 295.770 1.167 40 0 CDABLO CN1C(=O)CO[C@@H]2CC[N@H+](Cc3ccc(Cl)cn3)C[C@@H]21 ZINC000257338532 190036398 /nfs/dbraw/zinc/03/63/98/190036398.db2.gz YXVKNHQIPNYBFP-QWHCGFSZSA-N 1 2 295.770 1.167 40 0 CDABLO c1cnn(C[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2cccnc2)c1 ZINC000096250251 256834563 /nfs/dbraw/zinc/83/45/63/256834563.db2.gz RSSLSKUBUWNISR-ULQDDVLXSA-N 1 2 298.390 1.958 40 0 CDABLO c1cnn(C[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2cccnc2)c1 ZINC000096250251 256834565 /nfs/dbraw/zinc/83/45/65/256834565.db2.gz RSSLSKUBUWNISR-ULQDDVLXSA-N 1 2 298.390 1.958 40 0 CDABLO CC[C@@H](O)c1ccc(N2CCN(C(C)=O)CC2)[nH+]c1C ZINC000072224779 390624797 /nfs/dbraw/zinc/62/47/97/390624797.db2.gz LRMBIILFSCRONI-CQSZACIVSA-N 1 2 277.368 1.502 40 0 CDABLO COc1ccc([C@H](C[NH+]2CCOCC2)C(C)=O)cc1OC ZINC000031793508 171647583 /nfs/dbraw/zinc/64/75/83/171647583.db2.gz DQLLFWJHEWQATF-CQSZACIVSA-N 1 2 293.363 1.709 40 0 CDABLO CNc1cccc([C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)[nH+]1 ZINC000072364380 176379286 /nfs/dbraw/zinc/37/92/86/176379286.db2.gz CRBLWLLHGQAPAX-GFCCVEGCSA-N 1 2 299.378 1.877 40 0 CDABLO Cc1cc(N2CC[C@H](c3ccnc(N)n3)C2)nc[nH+]1 ZINC000072385565 176390421 /nfs/dbraw/zinc/39/04/21/176390421.db2.gz OWPZFWVNGPLKTN-JTQLQIEISA-N 1 2 256.313 1.151 40 0 CDABLO COC(=O)c1ccccc1-c1nc(C[NH+](C)C)no1 ZINC000078401109 177337683 /nfs/dbraw/zinc/33/76/83/177337683.db2.gz WSUNCZKCZLRQHT-UHFFFAOYSA-N 1 2 261.281 1.585 40 0 CDABLO COC(=O)c1cn(C)nc1C[N@@H+]1CCC[C@H](C)C1 ZINC000575441321 1159608472 /nfs/dbraw/zinc/60/84/72/1159608472.db2.gz CNNPRYKPSVBXQI-JTQLQIEISA-N 1 2 251.330 1.439 40 0 CDABLO COC(=O)c1cn(C)nc1C[N@H+]1CCC[C@H](C)C1 ZINC000575441321 1159608476 /nfs/dbraw/zinc/60/84/76/1159608476.db2.gz CNNPRYKPSVBXQI-JTQLQIEISA-N 1 2 251.330 1.439 40 0 CDABLO Cc1ccccc1OCC(=O)NCCCn1cc[nH+]c1 ZINC000006382728 534825119 /nfs/dbraw/zinc/82/51/19/534825119.db2.gz HPFGKKZEEAUPLT-UHFFFAOYSA-N 1 2 273.336 1.777 40 0 CDABLO CCOC(=O)[C@@H]1C[C@H](O)CC[N@@H+]1Cc1ccccc1 ZINC000199815672 570372631 /nfs/dbraw/zinc/37/26/31/570372631.db2.gz MXMJGAMEFKMLPX-KGLIPLIRSA-N 1 2 263.337 1.575 40 0 CDABLO CCOC(=O)[C@@H]1C[C@H](O)CC[N@H+]1Cc1ccccc1 ZINC000199815672 570372632 /nfs/dbraw/zinc/37/26/32/570372632.db2.gz MXMJGAMEFKMLPX-KGLIPLIRSA-N 1 2 263.337 1.575 40 0 CDABLO CO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccc2c(c1)OCO2 ZINC000096041393 185069478 /nfs/dbraw/zinc/06/94/78/185069478.db2.gz IERVZBJLSRSSCK-JGGQBBKZSA-N 1 2 291.347 1.794 40 0 CDABLO CO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccc2c(c1)OCO2 ZINC000096041393 185069479 /nfs/dbraw/zinc/06/94/79/185069479.db2.gz IERVZBJLSRSSCK-JGGQBBKZSA-N 1 2 291.347 1.794 40 0 CDABLO Cn1nc(Cn2cc[nH+]c2)c2c1CN(C[C@H]1CCOC1)C2 ZINC000096090995 185095500 /nfs/dbraw/zinc/09/55/00/185095500.db2.gz RKVBQFCJPUCLDL-GFCCVEGCSA-N 1 2 287.367 1.017 40 0 CDABLO COCCc1c[nH+]c2n1CCN(Cc1cc(C)n[nH]1)[C@H]2C ZINC000585097288 342211638 /nfs/dbraw/zinc/21/16/38/342211638.db2.gz HUYKKVDYXZOOCH-LBPRGKRZSA-N 1 2 289.383 1.680 40 0 CDABLO CO[C@H]1CCOC2(C[NH+](Cc3ccc(C)o3)C2)C1 ZINC000585104658 342212943 /nfs/dbraw/zinc/21/29/43/342212943.db2.gz KJJAXHMEGIKVHH-LBPRGKRZSA-N 1 2 251.326 1.968 40 0 CDABLO Cc1cc([C@H]2CN(c3cc[nH+]c(C)n3)CCO2)nc(C)n1 ZINC000257206626 362576757 /nfs/dbraw/zinc/57/67/57/362576757.db2.gz BEGWLZVXDAWLOX-CQSZACIVSA-N 1 2 285.351 1.770 40 0 CDABLO Cc1nccc([C@@H]2CCC[N@H+]2Cc2cnc(N(C)C)nc2)n1 ZINC000257276939 362582722 /nfs/dbraw/zinc/58/27/22/362582722.db2.gz NVUGQNRWYQXMII-HNNXBMFYSA-N 1 2 298.394 1.978 40 0 CDABLO Cc1nccc([C@@H]2CCC[N@@H+]2Cc2cnc(N(C)C)nc2)n1 ZINC000257276939 362582729 /nfs/dbraw/zinc/58/27/29/362582729.db2.gz NVUGQNRWYQXMII-HNNXBMFYSA-N 1 2 298.394 1.978 40 0 CDABLO Nc1nc[nH+]c(N)c1NC(=O)CCCc1ccccc1 ZINC000001750833 355950327 /nfs/dbraw/zinc/95/03/27/355950327.db2.gz HLOPBVCOKSVRBI-UHFFFAOYSA-N 1 2 271.324 1.602 40 0 CDABLO CN(C)CSC(=[NH2+])N[C@H](O)C(Cl)(Cl)Cl ZINC000003953865 356013847 /nfs/dbraw/zinc/01/38/47/356013847.db2.gz IUBAAKNJVPIKBE-SCSAIBSYSA-N 1 2 280.608 1.452 40 0 in-vitro CDABLO CCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000023379279 356641532 /nfs/dbraw/zinc/64/15/32/356641532.db2.gz KXZUDWNUTCMIDJ-UHFFFAOYSA-N 1 2 276.336 1.470 40 0 CDABLO CCOC(=O)[C@@H]1SC(=S)N(c2ccccc2)[C@@H]1[NH3+] ZINC000031749708 356769405 /nfs/dbraw/zinc/76/94/05/356769405.db2.gz RPPXQDPTSJOUGN-ZJUUUORDSA-N 1 2 282.390 1.741 40 0 CDABLO Cc1nc(-c2ccccc2)ncc1[C@@H](O)C[NH+]1CCOCC1 ZINC000031961958 356772344 /nfs/dbraw/zinc/77/23/44/356772344.db2.gz KQQGFGXGJUYACZ-INIZCTEOSA-N 1 2 299.374 1.818 40 0 CDABLO Cc1nc([C@H]2CCCN(c3cc[nH+]c(C)n3)C2)no1 ZINC000072364326 357831038 /nfs/dbraw/zinc/83/10/38/357831038.db2.gz HHLYXUOGJUSIOF-NSHDSACASA-N 1 2 259.313 1.860 40 0 CDABLO Cc1noc([C@@H]2CN(c3cc(C)[nH+]cn3)CCO2)n1 ZINC000072385573 357832179 /nfs/dbraw/zinc/83/21/79/357832179.db2.gz MAPLYDNZYYDKNM-JTQLQIEISA-N 1 2 261.285 1.054 40 0 CDABLO CCOc1cc(C=O)ccc1OCCC[NH+]1CCOCC1 ZINC000019798080 358143281 /nfs/dbraw/zinc/14/32/81/358143281.db2.gz KHTKMWVIIKTACK-UHFFFAOYSA-N 1 2 293.363 1.999 40 0 CDABLO CC(C)C(=O)N1CCC2(CN(c3cccc[nH+]3)C2)C1 ZINC000096202686 358719166 /nfs/dbraw/zinc/71/91/66/358719166.db2.gz CDNRSQUYOGPZTH-UHFFFAOYSA-N 1 2 259.353 1.776 40 0 CDABLO CCc1cnc(N2CC[C@@]3(C[C@H](n4cc[nH+]c4)CO3)C2)nc1 ZINC000096219667 358721892 /nfs/dbraw/zinc/72/18/92/358721892.db2.gz ROELZNJEZWFXGX-GOEBONIOSA-N 1 2 299.378 1.846 40 0 CDABLO COC(=O)C(C)(C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000022123126 359043084 /nfs/dbraw/zinc/04/30/84/359043084.db2.gz BQYJVENSSXVWPL-UHFFFAOYSA-N 1 2 280.343 1.899 40 0 CDABLO COc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1 ZINC000004417762 364808246 /nfs/dbraw/zinc/80/82/46/364808246.db2.gz QXERDEGNDNHBMJ-UHFFFAOYSA-N 1 2 295.364 1.260 40 0 CDABLO COc1c(N)[nH+]cnc1N1CCC(Cc2cccnc2)CC1 ZINC000581141784 372851179 /nfs/dbraw/zinc/85/11/79/372851179.db2.gz DMKAOXUIGFZBGL-UHFFFAOYSA-N 1 2 299.378 1.922 40 0 CDABLO COc1c(N)nc[nH+]c1N1CCC(Cc2cccnc2)CC1 ZINC000581141784 372851184 /nfs/dbraw/zinc/85/11/84/372851184.db2.gz DMKAOXUIGFZBGL-UHFFFAOYSA-N 1 2 299.378 1.922 40 0 CDABLO Cc1ccncc1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000225512347 374628619 /nfs/dbraw/zinc/62/86/19/374628619.db2.gz NBALRIHVKPXJBH-JTQLQIEISA-N 1 2 256.309 1.857 40 0 CDABLO Cc1ccncc1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000225512347 374628628 /nfs/dbraw/zinc/62/86/28/374628628.db2.gz NBALRIHVKPXJBH-JTQLQIEISA-N 1 2 256.309 1.857 40 0 CDABLO CCn1ccc(C[NH2+]Cc2c(C)nn(C)c2F)n1 ZINC000256051507 190003742 /nfs/dbraw/zinc/00/37/42/190003742.db2.gz JKTSGASZTVRITE-UHFFFAOYSA-N 1 2 251.309 1.374 40 0 CDABLO OCC[N@@H+]1CCO[C@@H](COc2ccccc2Cl)C1 ZINC000217483659 375655252 /nfs/dbraw/zinc/65/52/52/375655252.db2.gz PKBKGCMGAQDOIP-LLVKDONJSA-N 1 2 271.744 1.412 40 0 CDABLO OCC[N@H+]1CCO[C@@H](COc2ccccc2Cl)C1 ZINC000217483659 375655256 /nfs/dbraw/zinc/65/52/56/375655256.db2.gz PKBKGCMGAQDOIP-LLVKDONJSA-N 1 2 271.744 1.412 40 0 CDABLO OCC[N@@H+]1CCO[C@H](COc2ccccc2Cl)C1 ZINC000217483733 375655348 /nfs/dbraw/zinc/65/53/48/375655348.db2.gz PKBKGCMGAQDOIP-NSHDSACASA-N 1 2 271.744 1.412 40 0 CDABLO OCC[N@H+]1CCO[C@H](COc2ccccc2Cl)C1 ZINC000217483733 375655352 /nfs/dbraw/zinc/65/53/52/375655352.db2.gz PKBKGCMGAQDOIP-NSHDSACASA-N 1 2 271.744 1.412 40 0 CDABLO Cc1cc(=O)[nH]c([C@@]2(C)CCCN2Cc2[nH+]ccn2C)n1 ZINC000257227587 190015304 /nfs/dbraw/zinc/01/53/04/190015304.db2.gz FPZYKOIUCKTNGP-OAHLLOKOSA-N 1 2 287.367 1.735 40 0 CDABLO CCc1[nH+]ccn1CC(=O)N1CC[C@H](c2[nH]ncc2C)C1 ZINC000257266612 190023480 /nfs/dbraw/zinc/02/34/80/190023480.db2.gz MDSFGPXXEPFYDP-LBPRGKRZSA-N 1 2 287.367 1.493 40 0 CDABLO CCOc1cccc([C@@H]2C(C(N)=O)=C(C)[NH+]=C3N=CNN32)c1 ZINC000000936838 377942643 /nfs/dbraw/zinc/94/26/43/377942643.db2.gz YKXOGFVDKRKCHM-CYBMUJFWSA-N 1 2 299.334 1.104 40 0 CDABLO CC[C@@H](O)c1c[nH+]c(N2CCN(C=O)CC2)c(C)c1 ZINC000072222640 390623206 /nfs/dbraw/zinc/62/32/06/390623206.db2.gz IRGRKWGZLZNXOC-CYBMUJFWSA-N 1 2 263.341 1.112 40 0 CDABLO CCOC(=O)NCc1ccc([C@H]2COCC[NH2+]2)o1 ZINC000217460621 391283428 /nfs/dbraw/zinc/28/34/28/391283428.db2.gz SYGKMCPFPDIJIR-SNVBAGLBSA-N 1 2 254.286 1.187 40 0 CDABLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1nc2ccccc2o1 ZINC000040465855 174274826 /nfs/dbraw/zinc/27/48/26/174274826.db2.gz GFMDJQJNLPUWRZ-LLVKDONJSA-N 1 2 259.309 1.668 40 0 CDABLO NC(=O)[C@H]1CCCC[N@H+]1Cc1nc2ccccc2o1 ZINC000040465855 174274827 /nfs/dbraw/zinc/27/48/27/174274827.db2.gz GFMDJQJNLPUWRZ-LLVKDONJSA-N 1 2 259.309 1.668 40 0 CDABLO O=C1CO[C@H]2CN(Cc3c[nH+]c[nH]3)C[C@@H]2N1c1ccccc1 ZINC000257242997 280267398 /nfs/dbraw/zinc/26/73/98/280267398.db2.gz IFCZJUZWVXTYCM-GJZGRUSLSA-N 1 2 298.346 1.026 40 0 CDABLO [NH3+][C@@H](c1nc([C@@H]2CCCO2)n[nH]1)c1ccc(F)cc1 ZINC000095533329 185006476 /nfs/dbraw/zinc/00/64/76/185006476.db2.gz APYLDUCPNTXDOW-WDEREUQCSA-N 1 2 262.288 1.843 40 0 CDABLO CC(C)(C)NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000074921481 365720566 /nfs/dbraw/zinc/72/05/66/365720566.db2.gz NIPOFPFYNITUHF-UHFFFAOYSA-N 1 2 262.357 1.712 40 0 CDABLO Cc1cc(Cl)ccc1C[N@@H+]1CCO[C@H](CO)C1 ZINC000136194915 362321775 /nfs/dbraw/zinc/32/17/75/362321775.db2.gz IGZKPZUIDQKWQN-ZDUSSCGKSA-N 1 2 255.745 1.842 40 0 CDABLO Cc1cc(Cl)ccc1C[N@H+]1CCO[C@H](CO)C1 ZINC000136194915 362321781 /nfs/dbraw/zinc/32/17/81/362321781.db2.gz IGZKPZUIDQKWQN-ZDUSSCGKSA-N 1 2 255.745 1.842 40 0 CDABLO Cc1nnc([C@@H](C)N2CC[NH+](Cc3ccco3)CC2)[nH]1 ZINC000332086248 362379578 /nfs/dbraw/zinc/37/95/78/362379578.db2.gz GSDKCLDPJDMUIT-LLVKDONJSA-N 1 2 275.356 1.585 40 0 CDABLO C[C@@H](Cc1ccccn1)N(C)C(=O)[C@H](C)n1cc[nH+]c1 ZINC000019456913 356486714 /nfs/dbraw/zinc/48/67/14/356486714.db2.gz GAOZHBIRPMGNLE-STQMWFEESA-N 1 2 272.352 1.929 40 0 CDABLO Cc1cc(C)nc(N2CC[NH+](Cc3cnn(C)c3)CC2)n1 ZINC000072367980 357830575 /nfs/dbraw/zinc/83/05/75/357830575.db2.gz PRQNCUUCRCTPBJ-UHFFFAOYSA-N 1 2 286.383 1.149 40 0 CDABLO C[Si](C)(C)c1nn[nH]c1C[NH2+]Cc1ccccc1 ZINC000195801020 358575097 /nfs/dbraw/zinc/57/50/97/358575097.db2.gz NPBDFBLWDRZOTC-UHFFFAOYSA-N 1 2 260.417 1.640 40 0 CDABLO C[Si](C)(C)c1[nH]nnc1C[NH2+]Cc1ccccc1 ZINC000195801020 358575099 /nfs/dbraw/zinc/57/50/99/358575099.db2.gz NPBDFBLWDRZOTC-UHFFFAOYSA-N 1 2 260.417 1.640 40 0 CDABLO C[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1csnn1)C2 ZINC000096221990 358722861 /nfs/dbraw/zinc/72/28/61/358722861.db2.gz MCFJECCHPWUWEG-PWSUYJOCSA-N 1 2 253.371 1.929 40 0 CDABLO C[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1csnn1)C2 ZINC000096221990 358722865 /nfs/dbraw/zinc/72/28/65/358722865.db2.gz MCFJECCHPWUWEG-PWSUYJOCSA-N 1 2 253.371 1.929 40 0 CDABLO CC(C)[N@@H+]1CCO[C@H]2CN(C(=O)c3ccoc3)C[C@H]21 ZINC000096246445 358725450 /nfs/dbraw/zinc/72/54/50/358725450.db2.gz SNIQGCQSOHOKRM-OLZOCXBDSA-N 1 2 264.325 1.213 40 0 CDABLO CC(C)[N@H+]1CCO[C@H]2CN(C(=O)c3ccoc3)C[C@H]21 ZINC000096246445 358725453 /nfs/dbraw/zinc/72/54/53/358725453.db2.gz SNIQGCQSOHOKRM-OLZOCXBDSA-N 1 2 264.325 1.213 40 0 CDABLO CC(C)[N@@H+]1CCO[C@H]2CN(C(=O)c3cccs3)C[C@H]21 ZINC000096246447 358725544 /nfs/dbraw/zinc/72/55/44/358725544.db2.gz SHXCMVNGYIKSTE-NEPJUHHUSA-N 1 2 280.393 1.682 40 0 CDABLO CC(C)[N@H+]1CCO[C@H]2CN(C(=O)c3cccs3)C[C@H]21 ZINC000096246447 358725548 /nfs/dbraw/zinc/72/55/48/358725548.db2.gz SHXCMVNGYIKSTE-NEPJUHHUSA-N 1 2 280.393 1.682 40 0 CDABLO Cc1nc(CN2CCO[C@H]3C[N@H+](CCF)C[C@H]32)cs1 ZINC000096248779 358726812 /nfs/dbraw/zinc/72/68/12/358726812.db2.gz WAHCAIZTRCWMMY-OLZOCXBDSA-N 1 2 285.388 1.306 40 0 CDABLO Cc1nc(CN2CCO[C@H]3C[N@@H+](CCF)C[C@H]32)cs1 ZINC000096248779 358726814 /nfs/dbraw/zinc/72/68/14/358726814.db2.gz WAHCAIZTRCWMMY-OLZOCXBDSA-N 1 2 285.388 1.306 40 0 CDABLO Cc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1C ZINC000101370746 358843693 /nfs/dbraw/zinc/84/36/93/358843693.db2.gz KKWXJPDTQWVALI-UHFFFAOYSA-O 1 2 294.400 1.288 40 0 CDABLO CC[N@H+](CCS(C)(=O)=O)C[C@@H](O)c1ccc(C)cc1 ZINC000076016467 366946107 /nfs/dbraw/zinc/94/61/07/366946107.db2.gz NOUFRWNNJJJBJF-CQSZACIVSA-N 1 2 285.409 1.395 40 0 CDABLO CC[N@@H+](CCS(C)(=O)=O)C[C@@H](O)c1ccc(C)cc1 ZINC000076016467 366946111 /nfs/dbraw/zinc/94/61/11/366946111.db2.gz NOUFRWNNJJJBJF-CQSZACIVSA-N 1 2 285.409 1.395 40 0 CDABLO C[N@H+](CCS(C)(=O)=O)[C@@H](CCO)c1ccccc1 ZINC000075899758 366920302 /nfs/dbraw/zinc/92/03/02/366920302.db2.gz LQODJKLZBBDQBT-ZDUSSCGKSA-N 1 2 271.382 1.087 40 0 CDABLO C[N@@H+](CCS(C)(=O)=O)[C@@H](CCO)c1ccccc1 ZINC000075899758 366920308 /nfs/dbraw/zinc/92/03/08/366920308.db2.gz LQODJKLZBBDQBT-ZDUSSCGKSA-N 1 2 271.382 1.087 40 0 CDABLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCOc1ccc(Cl)cc1 ZINC000169053976 374043905 /nfs/dbraw/zinc/04/39/05/374043905.db2.gz DQRURFGXZHKXDM-DGCLKSJQSA-N 1 2 299.754 1.327 40 0 CDABLO COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCOc1ccc(Cl)cc1 ZINC000169053976 374043910 /nfs/dbraw/zinc/04/39/10/374043910.db2.gz DQRURFGXZHKXDM-DGCLKSJQSA-N 1 2 299.754 1.327 40 0 CDABLO Nc1[nH+]cnc(N[C@@H]2CCN(CC(F)(F)F)C2)c1Cl ZINC000225477509 374484005 /nfs/dbraw/zinc/48/40/05/374484005.db2.gz ICILFZWQYIWUDX-ZCFIWIBFSA-N 1 2 295.696 1.761 40 0 CDABLO Cc1nnc(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)s1 ZINC000225518291 374648431 /nfs/dbraw/zinc/64/84/31/374648431.db2.gz CUUGPDGVEDBYPP-MRVPVSSYSA-N 1 2 277.353 1.622 40 0 CDABLO Cc1nnc(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)s1 ZINC000225518291 374648441 /nfs/dbraw/zinc/64/84/41/374648441.db2.gz CUUGPDGVEDBYPP-MRVPVSSYSA-N 1 2 277.353 1.622 40 0 CDABLO Cc1cc(N2CC[C@@H](c3ccnc4nccn43)C2)nc[nH+]1 ZINC000257245526 190019130 /nfs/dbraw/zinc/01/91/30/190019130.db2.gz IPXYIECGYFJSJO-GFCCVEGCSA-N 1 2 280.335 1.822 40 0 CDABLO O[C@@H]1C[N@H+](Cc2cscn2)C[C@H]1Oc1cccc(F)c1 ZINC000257305863 190030813 /nfs/dbraw/zinc/03/08/13/190030813.db2.gz SRWRKIWGZCZIND-ZIAGYGMSSA-N 1 2 294.351 1.906 40 0 CDABLO O[C@@H]1C[N@@H+](Cc2cscn2)C[C@H]1Oc1cccc(F)c1 ZINC000257305863 190030814 /nfs/dbraw/zinc/03/08/14/190030814.db2.gz SRWRKIWGZCZIND-ZIAGYGMSSA-N 1 2 294.351 1.906 40 0 CDABLO Cc1c[nH]c(-c2cc([C@H]3CC[N@@H+](C)C3)nc(C)n2)n1 ZINC000257323902 190034304 /nfs/dbraw/zinc/03/43/04/190034304.db2.gz WMIABAQYCFTRDU-NSHDSACASA-N 1 2 257.341 1.903 40 0 CDABLO Cc1c[nH]c(-c2cc([C@H]3CC[N@H+](C)C3)nc(C)n2)n1 ZINC000257323902 190034305 /nfs/dbraw/zinc/03/43/05/190034305.db2.gz WMIABAQYCFTRDU-NSHDSACASA-N 1 2 257.341 1.903 40 0 CDABLO Cc1c[nH]c([C@H]2CCN(S(=O)(=O)c3cccs3)C2)[nH+]1 ZINC000257327388 190034632 /nfs/dbraw/zinc/03/46/32/190034632.db2.gz XBDHVDBTXLLWCE-JTQLQIEISA-N 1 2 297.405 1.958 40 0 CDABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccnn3C)C2)[nH+]1 ZINC000257340769 190036993 /nfs/dbraw/zinc/03/69/93/190036993.db2.gz ZHMPTSGWLUJYBD-NSHDSACASA-N 1 2 273.340 1.471 40 0 CDABLO COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H]1c1c[nH+]c[nH]1 ZINC000242688619 376063725 /nfs/dbraw/zinc/06/37/25/376063725.db2.gz VUYIUYOXVUMQSM-OQPBUACISA-N 1 2 281.312 1.334 40 0 CDABLO COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H]1c1c[nH]c[nH+]1 ZINC000242688619 376063727 /nfs/dbraw/zinc/06/37/27/376063727.db2.gz VUYIUYOXVUMQSM-OQPBUACISA-N 1 2 281.312 1.334 40 0 CDABLO O=S(=O)(NCCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000005286200 170083172 /nfs/dbraw/zinc/08/31/72/170083172.db2.gz PZFYRRAILUYSAS-UHFFFAOYSA-N 1 2 283.328 1.391 40 0 CDABLO O=S(=O)(Nc1cc[nH+]cc1)c1cccc(O)c1 ZINC000071256385 176095383 /nfs/dbraw/zinc/09/53/83/176095383.db2.gz ROCCVUNUQXYBAI-UHFFFAOYSA-N 1 2 250.279 1.588 40 0 CDABLO C[C@@]1(C(N)=O)C[N@H+](Cc2ccc(F)c(F)c2)CCO1 ZINC000072379684 176386776 /nfs/dbraw/zinc/38/67/76/176386776.db2.gz QTHSXDHFQPKDFE-ZDUSSCGKSA-N 1 2 270.279 1.041 40 0 CDABLO C[C@@]1(C(N)=O)C[N@@H+](Cc2ccc(F)c(F)c2)CCO1 ZINC000072379684 176386777 /nfs/dbraw/zinc/38/67/77/176386777.db2.gz QTHSXDHFQPKDFE-ZDUSSCGKSA-N 1 2 270.279 1.041 40 0 CDABLO Cc1noc([C@@]2(C)CCC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000072380999 176387254 /nfs/dbraw/zinc/38/72/54/176387254.db2.gz IDHDFUDWHGMISE-ZDUSSCGKSA-N 1 2 261.329 1.655 40 0 CDABLO Cc1noc([C@@]2(C)CCC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000072380999 176387256 /nfs/dbraw/zinc/38/72/56/176387256.db2.gz IDHDFUDWHGMISE-ZDUSSCGKSA-N 1 2 261.329 1.655 40 0 CDABLO Cc1cc(N2CCC[C@@H]2c2cc(=O)[nH]c(C)n2)nc[nH+]1 ZINC000072385559 176390305 /nfs/dbraw/zinc/39/03/05/176390305.db2.gz UOUVBQUEYBJNEJ-GFCCVEGCSA-N 1 2 271.324 1.518 40 0 CDABLO COc1cccc(N2C(=[NH2+])S[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000004226914 277455546 /nfs/dbraw/zinc/45/55/46/277455546.db2.gz PCIWHLWNVCOXMC-QWRGUYRKSA-N 1 2 298.389 1.349 40 0 CDABLO COC[C@H]1Cn2cc[nH+]c2CN(C(=O)c2ccncc2)C1 ZINC000096059092 293240542 /nfs/dbraw/zinc/24/05/42/293240542.db2.gz IOGIMONBUSKPNL-LBPRGKRZSA-N 1 2 286.335 1.197 40 0 CDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2cccc(=O)[nH]2)[nH+]1 ZINC000257228827 301025332 /nfs/dbraw/zinc/02/53/32/301025332.db2.gz FVKVTWBLUCVDQS-LLVKDONJSA-N 1 2 288.307 1.032 40 0 CDABLO Cn1nc(Cn2cc[nH+]c2)c2c1CN(Cc1ccco1)C2 ZINC000096084494 185092347 /nfs/dbraw/zinc/09/23/47/185092347.db2.gz NCZHDNBMAHYEMQ-UHFFFAOYSA-N 1 2 283.335 1.774 40 0 CDABLO CCC[N@@H+]1CCc2oc(C(=O)NC(C)C)nc2C1 ZINC000585112382 342213496 /nfs/dbraw/zinc/21/34/96/342213496.db2.gz PEHRKFXTLLUTPS-UHFFFAOYSA-N 1 2 251.330 1.581 40 0 CDABLO CCC[N@H+]1CCc2oc(C(=O)NC(C)C)nc2C1 ZINC000585112382 342213497 /nfs/dbraw/zinc/21/34/97/342213497.db2.gz PEHRKFXTLLUTPS-UHFFFAOYSA-N 1 2 251.330 1.581 40 0 CDABLO CNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2C)Cc2ccnn21 ZINC000585112597 342213626 /nfs/dbraw/zinc/21/36/26/342213626.db2.gz RRQLKHBGXDLRCB-MRXNPFEDSA-N 1 2 298.390 1.885 40 0 CDABLO CNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2C)Cc2ccnn21 ZINC000585112597 342213627 /nfs/dbraw/zinc/21/36/27/342213627.db2.gz RRQLKHBGXDLRCB-MRXNPFEDSA-N 1 2 298.390 1.885 40 0 CDABLO CO[C@@H]1CSC2(C[NH+](Cc3cc(C)on3)C2)C1 ZINC000247891185 362138718 /nfs/dbraw/zinc/13/87/18/362138718.db2.gz FTPCSGONYNIVBR-NSHDSACASA-N 1 2 254.355 1.689 40 0 CDABLO Cc1cc[nH+]cc1N1CCN(c2nccn3cnnc23)CC1 ZINC000329284524 136379453 /nfs/dbraw/zinc/37/94/53/136379453.db2.gz GBHCEPGCSIGXLG-UHFFFAOYSA-N 1 2 295.350 1.154 40 0 CDABLO Cn1cc(-c2c[nH+]c3n2[C@@H](CNc2ncccn2)CC3)cn1 ZINC000306130073 201841965 /nfs/dbraw/zinc/84/19/65/201841965.db2.gz IVUHSTTXKRLABX-GFCCVEGCSA-N 1 2 295.350 1.673 40 0 CDABLO CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OCC(=O)[O-])cc1 ZINC000022936850 356398569 /nfs/dbraw/zinc/39/85/69/356398569.db2.gz UYMSHDPXTHYBSW-CQSZACIVSA-N 1 2 292.379 1.724 40 0 CDABLO CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OCC(=O)[O-])cc1 ZINC000022936850 356398573 /nfs/dbraw/zinc/39/85/73/356398573.db2.gz UYMSHDPXTHYBSW-CQSZACIVSA-N 1 2 292.379 1.724 40 0 CDABLO COC[C@H]1c2c(cnn2C)CC[N@H+]1Cc1scnc1C ZINC000096197731 358716189 /nfs/dbraw/zinc/71/61/89/358716189.db2.gz JJJGCONPWWIKMY-LBPRGKRZSA-N 1 2 292.408 1.931 40 0 CDABLO COC[C@H]1c2c(cnn2C)CC[N@@H+]1Cc1scnc1C ZINC000096197731 358716191 /nfs/dbraw/zinc/71/61/91/358716191.db2.gz JJJGCONPWWIKMY-LBPRGKRZSA-N 1 2 292.408 1.931 40 0 CDABLO COc1ncnc2c1CC[N@H+](Cc1csc(C)n1)CC2 ZINC000096255561 358728488 /nfs/dbraw/zinc/72/84/88/358728488.db2.gz BVXKUIPWEBFWAD-UHFFFAOYSA-N 1 2 290.392 1.851 40 0 CDABLO COc1ncnc2c1CC[N@@H+](Cc1csc(C)n1)CC2 ZINC000096255561 358728492 /nfs/dbraw/zinc/72/84/92/358728492.db2.gz BVXKUIPWEBFWAD-UHFFFAOYSA-N 1 2 290.392 1.851 40 0 CDABLO C[NH+]1CCN(C(=O)c2cn(-c3ccc(F)cc3)cn2)CC1 ZINC000226751794 359441364 /nfs/dbraw/zinc/44/13/64/359441364.db2.gz DWGYNGLFMSAVNN-UHFFFAOYSA-N 1 2 288.326 1.399 40 0 CDABLO COc1ccc(NC(=S)NCCCn2cc[nH+]c2)cn1 ZINC000225522479 359596624 /nfs/dbraw/zinc/59/66/24/359596624.db2.gz GVFMIPOKWCCYNP-UHFFFAOYSA-N 1 2 291.380 1.663 40 0 CDABLO Cc1noc(C)c1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152684210 366901845 /nfs/dbraw/zinc/90/18/45/366901845.db2.gz CLABTRXRVYZSCK-LBPRGKRZSA-N 1 2 286.335 1.695 40 0 CDABLO C[C@H]1CN(c2cc(N3CCSCC3)nc[nH+]2)CC[C@H]1O ZINC000225487577 374495679 /nfs/dbraw/zinc/49/56/79/374495679.db2.gz AEFMZCPXYTXCKJ-NWDGAFQWSA-N 1 2 294.424 1.237 40 0 CDABLO C[C@H]1CN(c2cc(N3CCSCC3)[nH+]cn2)CC[C@H]1O ZINC000225487577 374495685 /nfs/dbraw/zinc/49/56/85/374495685.db2.gz AEFMZCPXYTXCKJ-NWDGAFQWSA-N 1 2 294.424 1.237 40 0 CDABLO Cc1nc(C[N@@H+]2CCOC[C@@H](Cc3ncccn3)C2)co1 ZINC000257224990 190015176 /nfs/dbraw/zinc/01/51/76/190015176.db2.gz FEJLLLKHPVDWAO-ZDUSSCGKSA-N 1 2 288.351 1.464 40 0 CDABLO Cc1nc(C[N@H+]2CCOC[C@@H](Cc3ncccn3)C2)co1 ZINC000257224990 190015177 /nfs/dbraw/zinc/01/51/77/190015177.db2.gz FEJLLLKHPVDWAO-ZDUSSCGKSA-N 1 2 288.351 1.464 40 0 CDABLO CC(=O)N1CCN(Cc2[nH+]ccn2C)[C@H](c2ccccc2)C1 ZINC000257246809 190019525 /nfs/dbraw/zinc/01/95/25/190019525.db2.gz IVXYMMJHIGLZIF-INIZCTEOSA-N 1 2 298.390 1.826 40 0 CDABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3c(C)noc3C)C2)[nH+]1 ZINC000257284347 190026477 /nfs/dbraw/zinc/02/64/77/190026477.db2.gz PCHPZWYJAHSOMP-LLVKDONJSA-N 1 2 274.324 1.953 40 0 CDABLO CNc1cc([C@H]2CCCN2C(=O)c2ccc(=O)[nH]n2)cc[nH+]1 ZINC000257341265 190036796 /nfs/dbraw/zinc/03/67/96/190036796.db2.gz ZJPAGWORDIFEBB-GFCCVEGCSA-N 1 2 299.334 1.184 40 0 CDABLO O=C1CC[NH2+][C@H](c2ccc(Br)cc2)N1 ZINC000207893094 392701909 /nfs/dbraw/zinc/70/19/09/392701909.db2.gz VUODMIPLTBNHST-JTQLQIEISA-N 1 2 255.115 1.557 40 0 CDABLO COc1ccc(S[C@@H](C)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000043856366 175115778 /nfs/dbraw/zinc/11/57/78/175115778.db2.gz CAKWMZQNLZRKDR-LBPRGKRZSA-N 1 2 294.420 1.950 40 0 CDABLO CCc1cc(C(=O)N2CCOC[C@@H]2c2[nH]cc(C)[nH+]2)no1 ZINC000257289689 281378130 /nfs/dbraw/zinc/37/81/30/281378130.db2.gz PZUUXEQXBGEHOM-GFCCVEGCSA-N 1 2 290.323 1.482 40 0 CDABLO COC[C@@H]1C[N@H+](Cc2ccoc2)Cc2cn(C)nc21 ZINC000096059804 185079873 /nfs/dbraw/zinc/07/98/73/185079873.db2.gz UEKBKNYNAKLPSO-ZDUSSCGKSA-N 1 2 261.325 1.759 40 0 CDABLO COC[C@@H]1C[N@@H+](Cc2ccoc2)Cc2cn(C)nc21 ZINC000096059804 185079875 /nfs/dbraw/zinc/07/98/75/185079875.db2.gz UEKBKNYNAKLPSO-ZDUSSCGKSA-N 1 2 261.325 1.759 40 0 CDABLO C[C@@H]1C[C@@H]1C(=O)N1CCc2[nH+]cc(-c3cccnc3)n2CC1 ZINC000585111397 342213467 /nfs/dbraw/zinc/21/34/67/342213467.db2.gz SAJLLSDKUCQYLT-OCCSQVGLSA-N 1 2 296.374 1.986 40 0 CDABLO CCOC1CN(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)C1 ZINC000334064917 539057831 /nfs/dbraw/zinc/05/78/31/539057831.db2.gz CRAOIAVBOIOASG-MWLCHTKSSA-N 1 2 264.329 1.319 40 0 CDABLO CCOC1CN(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)C1 ZINC000334064915 539057853 /nfs/dbraw/zinc/05/78/53/539057853.db2.gz CRAOIAVBOIOASG-GXSJLCMTSA-N 1 2 264.329 1.319 40 0 CDABLO CNc1cc([C@H]2CCCN2S(C)(=O)=O)cc[nH+]1 ZINC000205688942 343340248 /nfs/dbraw/zinc/34/02/48/343340248.db2.gz LJLDVUHBRIJWEV-SNVBAGLBSA-N 1 2 255.343 1.220 40 0 CDABLO COCCC(=O)N1CC[N@H+](C)[C@H](c2ccccc2OC)C1 ZINC000257288052 362583506 /nfs/dbraw/zinc/58/35/06/362583506.db2.gz PSPIDWFLZOXOQK-AWEZNQCLSA-N 1 2 292.379 1.547 40 0 CDABLO COCCC(=O)N1CC[N@@H+](C)[C@H](c2ccccc2OC)C1 ZINC000257288052 362583516 /nfs/dbraw/zinc/58/35/16/362583516.db2.gz PSPIDWFLZOXOQK-AWEZNQCLSA-N 1 2 292.379 1.547 40 0 CDABLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCc2ccccc2O1 ZINC000333117919 362937842 /nfs/dbraw/zinc/93/78/42/362937842.db2.gz HSPJXJLXTDXVGZ-MLGOLLRUSA-N 1 2 297.358 1.777 40 0 CDABLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCc2ccccc2O1 ZINC000333117919 362937847 /nfs/dbraw/zinc/93/78/47/362937847.db2.gz HSPJXJLXTDXVGZ-MLGOLLRUSA-N 1 2 297.358 1.777 40 0 CDABLO Cc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccc(F)c(F)c1)CC2 ZINC000012185035 356290566 /nfs/dbraw/zinc/29/05/66/356290566.db2.gz CXQPDGUWYNPWPY-UHFFFAOYSA-N 1 2 291.301 1.915 40 0 CDABLO Cc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccc(F)c(F)c1)CC2 ZINC000012185035 356290567 /nfs/dbraw/zinc/29/05/67/356290567.db2.gz CXQPDGUWYNPWPY-UHFFFAOYSA-N 1 2 291.301 1.915 40 0 CDABLO Cc1cc(C)n(C[C@@H](C)C(=O)NCc2[nH+]ccn2C)n1 ZINC000019573605 356492563 /nfs/dbraw/zinc/49/25/63/356492563.db2.gz UPZQBYFTUMXAME-SNVBAGLBSA-N 1 2 275.356 1.186 40 0 CDABLO COc1cc2c(cc1OC)[C@@H](O)C[N@H+](CCC(C)=O)C2 ZINC000024717595 356660714 /nfs/dbraw/zinc/66/07/14/356660714.db2.gz OXOIRASLXWAYFP-ZDUSSCGKSA-N 1 2 279.336 1.532 40 0 CDABLO COc1cc2c(cc1OC)[C@@H](O)C[N@@H+](CCC(C)=O)C2 ZINC000024717595 356660716 /nfs/dbraw/zinc/66/07/16/356660716.db2.gz OXOIRASLXWAYFP-ZDUSSCGKSA-N 1 2 279.336 1.532 40 0 CDABLO Cc1nn(C)c(C)c1NC(=O)C[N@H+](C)C[C@@H]1CCCO1 ZINC000059388521 357429791 /nfs/dbraw/zinc/42/97/91/357429791.db2.gz DKRVMARRTPJUOC-LBPRGKRZSA-N 1 2 280.372 1.086 40 0 CDABLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+](C)C[C@@H]1CCCO1 ZINC000059388521 357429792 /nfs/dbraw/zinc/42/97/92/357429792.db2.gz DKRVMARRTPJUOC-LBPRGKRZSA-N 1 2 280.372 1.086 40 0 CDABLO NNc1[nH+]cc(F)cc1I ZINC000199546303 358083461 /nfs/dbraw/zinc/08/34/61/358083461.db2.gz GHYLHLSBWGTMNY-UHFFFAOYSA-N 1 2 253.018 1.111 40 0 CDABLO CC(C)=CC[NH+]1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000075918702 366929937 /nfs/dbraw/zinc/92/99/37/366929937.db2.gz MCCDTLNXTFOTQI-UHFFFAOYSA-N 1 2 299.396 1.088 40 0 CDABLO COCCCn1cnnc1SCc1cccc(N)[nH+]1 ZINC000225449402 374412753 /nfs/dbraw/zinc/41/27/53/374412753.db2.gz IFNMZYYQEIYNHB-UHFFFAOYSA-N 1 2 279.369 1.584 40 0 CDABLO Cc1cncc(C[N@H+]2C[C@@H](C)N(S(C)(=O)=O)C[C@@H]2C)c1 ZINC000225501838 374586215 /nfs/dbraw/zinc/58/62/15/374586215.db2.gz AHMRKQQXQQTONN-QWHCGFSZSA-N 1 2 297.424 1.244 40 0 CDABLO Cc1cncc(C[N@@H+]2C[C@@H](C)N(S(C)(=O)=O)C[C@@H]2C)c1 ZINC000225501838 374586225 /nfs/dbraw/zinc/58/62/25/374586225.db2.gz AHMRKQQXQQTONN-QWHCGFSZSA-N 1 2 297.424 1.244 40 0 CDABLO Cn1ccc(C[NH2+]Cc2cn(C)nc2C(F)(F)F)n1 ZINC000256050476 190003321 /nfs/dbraw/zinc/00/33/21/190003321.db2.gz FDNAVBPSLCEGRC-UHFFFAOYSA-N 1 2 273.262 1.462 40 0 CDABLO Nc1cccc([C@H]2C[N@H+](Cc3ccncc3)CCO2)n1 ZINC000257254501 190020641 /nfs/dbraw/zinc/02/06/41/190020641.db2.gz KDIGGDPGMCSKJL-CQSZACIVSA-N 1 2 270.336 1.632 40 0 CDABLO Nc1cccc([C@H]2C[N@@H+](Cc3ccncc3)CCO2)n1 ZINC000257254501 190020642 /nfs/dbraw/zinc/02/06/42/190020642.db2.gz KDIGGDPGMCSKJL-CQSZACIVSA-N 1 2 270.336 1.632 40 0 CDABLO CO[C@@H](C)CN(C)C(=O)Cc1c(C)[nH+]c2ccccn21 ZINC000257274735 190024863 /nfs/dbraw/zinc/02/48/63/190024863.db2.gz NMJYURCRVUNFFN-NSHDSACASA-N 1 2 275.352 1.679 40 0 CDABLO CC[C@H](C(=O)NCc1ccc[nH]1)[N@@H+]1CCO[C@H](CC)C1 ZINC000330466999 376140414 /nfs/dbraw/zinc/14/04/14/376140414.db2.gz XRTALBDQFDZQIB-ZIAGYGMSSA-N 1 2 279.384 1.520 40 0 CDABLO CC[C@H](C(=O)NCc1ccc[nH]1)[N@H+]1CCO[C@H](CC)C1 ZINC000330466999 376140420 /nfs/dbraw/zinc/14/04/20/376140420.db2.gz XRTALBDQFDZQIB-ZIAGYGMSSA-N 1 2 279.384 1.520 40 0 CDABLO COc1ccc(-n2nnnc2/C=C/[NH+]2CCCC2)cc1 ZINC000055116693 390488738 /nfs/dbraw/zinc/48/87/38/390488738.db2.gz YRDYJOCQDPEFCN-DHZHZOJOSA-N 1 2 271.324 1.737 40 0 CDABLO OCCOc1cccc(C[N@@H+]2CC[C@@H](c3ccn[nH]3)C2)c1 ZINC000257322782 391649885 /nfs/dbraw/zinc/64/98/85/391649885.db2.gz WHJLDMREONBYKA-CQSZACIVSA-N 1 2 287.363 1.770 40 0 CDABLO OCCOc1cccc(C[N@H+]2CC[C@@H](c3ccn[nH]3)C2)c1 ZINC000257322782 391649888 /nfs/dbraw/zinc/64/98/88/391649888.db2.gz WHJLDMREONBYKA-CQSZACIVSA-N 1 2 287.363 1.770 40 0 CDABLO O[C@@](C[NH+]1CCOCC1)(c1ccccc1)c1ccccn1 ZINC000022145508 171356264 /nfs/dbraw/zinc/35/62/64/171356264.db2.gz HWRFPHKCSVQXOO-KRWDZBQOSA-N 1 2 284.359 1.650 40 0 CDABLO COCCNC(=O)c1cc(N)ccc1[NH+]1CCCC1 ZINC000035703673 172370338 /nfs/dbraw/zinc/37/03/38/172370338.db2.gz MGUXGSDUUJEWNA-UHFFFAOYSA-N 1 2 263.341 1.245 40 0 CDABLO C[N@H+](CCC(=O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000037329106 173130032 /nfs/dbraw/zinc/13/00/32/173130032.db2.gz VGRIDPUHOLGTBO-ZDUSSCGKSA-N 1 2 299.367 1.517 40 0 CDABLO C[N@@H+](CCC(=O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000037329106 173130034 /nfs/dbraw/zinc/13/00/34/173130034.db2.gz VGRIDPUHOLGTBO-ZDUSSCGKSA-N 1 2 299.367 1.517 40 0 CDABLO CCc1[nH+]ccn1CCCNc1nnc(C)c(=O)[nH]1 ZINC000072265490 176352245 /nfs/dbraw/zinc/35/22/45/176352245.db2.gz VCLHAIHXVBBCOU-UHFFFAOYSA-N 1 2 262.317 1.147 40 0 CDABLO CN(C)c1cccc([C@@H]2CCCN(S(C)(=O)=O)C2)[nH+]1 ZINC000072381021 176387041 /nfs/dbraw/zinc/38/70/41/176387041.db2.gz FIOPZSXYJGFJIW-LLVKDONJSA-N 1 2 283.397 1.287 40 0 CDABLO NC(=O)C[N@@H+]1CCC[C@@H]1c1cncc(Nc2ccccn2)n1 ZINC000072383075 176387980 /nfs/dbraw/zinc/38/79/80/176387980.db2.gz BDINQQYOAJTAHW-GFCCVEGCSA-N 1 2 298.350 1.237 40 0 CDABLO NC(=O)C[N@H+]1CCC[C@@H]1c1cncc(Nc2ccccn2)n1 ZINC000072383075 176387981 /nfs/dbraw/zinc/38/79/81/176387981.db2.gz BDINQQYOAJTAHW-GFCCVEGCSA-N 1 2 298.350 1.237 40 0 CDABLO Cc1cccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C(C)C)n1 ZINC000096054286 185075608 /nfs/dbraw/zinc/07/56/08/185075608.db2.gz RKBVPNIXJYPDLO-CABCVRRESA-N 1 2 289.379 1.324 40 0 CDABLO Cc1cccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C(C)C)n1 ZINC000096054286 185075609 /nfs/dbraw/zinc/07/56/09/185075609.db2.gz RKBVPNIXJYPDLO-CABCVRRESA-N 1 2 289.379 1.324 40 0 CDABLO COC[C@H]1C[N@H+](Cc2ccco2)Cc2cnn(C)c21 ZINC000096060000 185081326 /nfs/dbraw/zinc/08/13/26/185081326.db2.gz DNSJSQFFUYAZCD-GFCCVEGCSA-N 1 2 261.325 1.759 40 0 CDABLO COC[C@H]1C[N@@H+](Cc2ccco2)Cc2cnn(C)c21 ZINC000096060000 185081328 /nfs/dbraw/zinc/08/13/28/185081328.db2.gz DNSJSQFFUYAZCD-GFCCVEGCSA-N 1 2 261.325 1.759 40 0 CDABLO C[N@H+]1Cc2ccnn2[C@@H](CCNC(=O)c2ccsc2)C1 ZINC000585111959 342213396 /nfs/dbraw/zinc/21/33/96/342213396.db2.gz FTBXEZUNZQNBHZ-LBPRGKRZSA-N 1 2 290.392 1.751 40 0 CDABLO C[N@@H+]1Cc2ccnn2[C@@H](CCNC(=O)c2ccsc2)C1 ZINC000585111959 342213397 /nfs/dbraw/zinc/21/33/97/342213397.db2.gz FTBXEZUNZQNBHZ-LBPRGKRZSA-N 1 2 290.392 1.751 40 0 CDABLO [NH3+][C@H](c1noc(C[NH+]2CCCC2)n1)c1ccccc1 ZINC000070453753 361972304 /nfs/dbraw/zinc/97/23/04/361972304.db2.gz AOBRUQWNVCZSPP-ZDUSSCGKSA-N 1 2 258.325 1.714 40 0 CDABLO [NH3+][C@H](c1noc(CN2CCCC2)n1)c1ccccc1 ZINC000070453753 361972309 /nfs/dbraw/zinc/97/23/09/361972309.db2.gz AOBRUQWNVCZSPP-ZDUSSCGKSA-N 1 2 258.325 1.714 40 0 CDABLO OC[C@]1(Cc2ccccc2)CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000585277710 342256399 /nfs/dbraw/zinc/25/63/99/342256399.db2.gz XEVINYREPBCRFW-INIZCTEOSA-N 1 2 287.363 1.216 40 0 CDABLO CN(C)c1nccnc1[C@H]1C[N@@H+](C2CCOCC2)CCO1 ZINC000257332134 282328726 /nfs/dbraw/zinc/32/87/26/282328726.db2.gz XVWRBPFRORUKFY-CYBMUJFWSA-N 1 2 292.383 1.095 40 0 CDABLO CN(C)c1nccnc1[C@H]1C[N@H+](C2CCOCC2)CCO1 ZINC000257332134 282328732 /nfs/dbraw/zinc/32/87/32/282328732.db2.gz XVWRBPFRORUKFY-CYBMUJFWSA-N 1 2 292.383 1.095 40 0 CDABLO COC[C@@H]1CN(C(=O)c2cncc(C)c2)Cc2c[nH+]cn21 ZINC000253602942 362441444 /nfs/dbraw/zinc/44/14/44/362441444.db2.gz UDXXSVVOJQNXSK-AWEZNQCLSA-N 1 2 286.335 1.430 40 0 CDABLO S=C(NCC[NH+]1CCOCC1)c1ccc2c(c1)OCO2 ZINC000408576193 356000806 /nfs/dbraw/zinc/00/08/06/356000806.db2.gz VRMVKWPAVJSELX-UHFFFAOYSA-N 1 2 294.376 1.013 40 0 CDABLO CCC(=O)N1CCc2nnc([C@H]3CCCC[N@@H+]3C)n2CC1 ZINC000019752488 356499889 /nfs/dbraw/zinc/49/98/89/356499889.db2.gz MCDAKWGREGHGHM-GFCCVEGCSA-N 1 2 291.399 1.230 40 0 CDABLO CCC(=O)N1CCc2nnc([C@H]3CCCC[N@H+]3C)n2CC1 ZINC000019752488 356499891 /nfs/dbraw/zinc/49/98/91/356499891.db2.gz MCDAKWGREGHGHM-GFCCVEGCSA-N 1 2 291.399 1.230 40 0 CDABLO COc1cc2c(cc1O)[C@@H](O)C[N@H+](CCC(C)=O)C2 ZINC000031689622 356768376 /nfs/dbraw/zinc/76/83/76/356768376.db2.gz QKCWQYGJZCHFDB-ZDUSSCGKSA-N 1 2 265.309 1.229 40 0 CDABLO COc1cc2c(cc1O)[C@@H](O)C[N@@H+](CCC(C)=O)C2 ZINC000031689622 356768379 /nfs/dbraw/zinc/76/83/79/356768379.db2.gz QKCWQYGJZCHFDB-ZDUSSCGKSA-N 1 2 265.309 1.229 40 0 CDABLO COC[C@@H]1Cn2c[nH+]cc2CN(C(=O)N2CCCC2)C1 ZINC000096207160 358720074 /nfs/dbraw/zinc/72/00/74/358720074.db2.gz ORLNAOTWSCAYKJ-LBPRGKRZSA-N 1 2 278.356 1.177 40 0 CDABLO Cc1ccc(C[N@@H+]2CCO[C@@]3(C2)COCCN(C)C3)s1 ZINC000096229377 358724107 /nfs/dbraw/zinc/72/41/07/358724107.db2.gz VIWTYLKVIUDWKX-HNNXBMFYSA-N 1 2 296.436 1.590 40 0 CDABLO Cc1ccc(C[N@H+]2CCO[C@@]3(C2)COCCN(C)C3)s1 ZINC000096229377 358724110 /nfs/dbraw/zinc/72/41/10/358724110.db2.gz VIWTYLKVIUDWKX-HNNXBMFYSA-N 1 2 296.436 1.590 40 0 CDABLO CN(C)C(=O)[C@H]1C[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]1O2 ZINC000096252795 358727530 /nfs/dbraw/zinc/72/75/30/358727530.db2.gz XELMQUVYIRKVGT-QLFBSQMISA-N 1 2 292.354 1.503 40 0 CDABLO CN(C)C(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]1O2 ZINC000096252795 358727533 /nfs/dbraw/zinc/72/75/33/358727533.db2.gz XELMQUVYIRKVGT-QLFBSQMISA-N 1 2 292.354 1.503 40 0 CDABLO Cc1[nH]ncc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H](O)[C@H]1CO ZINC000585292940 358808137 /nfs/dbraw/zinc/80/81/37/358808137.db2.gz PZLFDVZPOFHWCA-BZUAXINKSA-N 1 2 287.363 1.039 40 0 CDABLO Cc1[nH]ncc1C[N@H+]1C[C@H](c2ccccc2)[C@@H](O)[C@H]1CO ZINC000585292940 358808139 /nfs/dbraw/zinc/80/81/39/358808139.db2.gz PZLFDVZPOFHWCA-BZUAXINKSA-N 1 2 287.363 1.039 40 0 CDABLO Cn1c[nH+]cc1CN1CCO[C@H](Cc2ccccc2)C1 ZINC000181523489 189298940 /nfs/dbraw/zinc/29/89/40/189298940.db2.gz MADQLRDEKMZMKL-MRXNPFEDSA-N 1 2 271.364 1.864 40 0 CDABLO COC(=O)[C@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ncc(C)o1 ZINC000191203139 189586699 /nfs/dbraw/zinc/58/66/99/189586699.db2.gz SBIPCEPXGFTWAW-NTZNESFSSA-N 1 2 264.325 1.757 40 0 CDABLO COC(=O)[C@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ncc(C)o1 ZINC000191203139 189586700 /nfs/dbraw/zinc/58/67/00/189586700.db2.gz SBIPCEPXGFTWAW-NTZNESFSSA-N 1 2 264.325 1.757 40 0 CDABLO CCN(CC)c1cc(N2CCC(O)CC2)nc[nH+]1 ZINC000040434357 370109622 /nfs/dbraw/zinc/10/96/22/370109622.db2.gz QKOZNSDBZBVDQJ-UHFFFAOYSA-N 1 2 250.346 1.284 40 0 CDABLO CCN(CC)c1cc(N2CCC(O)CC2)[nH+]cn1 ZINC000040434357 370109628 /nfs/dbraw/zinc/10/96/28/370109628.db2.gz QKOZNSDBZBVDQJ-UHFFFAOYSA-N 1 2 250.346 1.284 40 0 CDABLO c1ccc(C[N@@H+]2CCO[C@@H](Cc3cccnc3)C2)nc1 ZINC000257215507 190013436 /nfs/dbraw/zinc/01/34/36/190013436.db2.gz CQLMFZBKXQXGQO-INIZCTEOSA-N 1 2 269.348 1.920 40 0 CDABLO c1ccc(C[N@H+]2CCO[C@@H](Cc3cccnc3)C2)nc1 ZINC000257215507 190013437 /nfs/dbraw/zinc/01/34/37/190013437.db2.gz CQLMFZBKXQXGQO-INIZCTEOSA-N 1 2 269.348 1.920 40 0 CDABLO c1nnc(Nc2cc(C[C@H]3CCC[NH2+]C3)ncn2)s1 ZINC000257243750 190018547 /nfs/dbraw/zinc/01/85/47/190018547.db2.gz IIKLPDIXKCDLLC-SECBINFHSA-N 1 2 276.369 1.614 40 0 CDABLO CCn1cc(C[N@@H+]2CCO[C@H](c3nc(C)c[nH]3)C2)cn1 ZINC000257267484 190023048 /nfs/dbraw/zinc/02/30/48/190023048.db2.gz MHMXZJPUKOUZLM-ZDUSSCGKSA-N 1 2 275.356 1.508 40 0 CDABLO CCn1cc(C[N@H+]2CCO[C@H](c3nc(C)c[nH]3)C2)cn1 ZINC000257267484 190023049 /nfs/dbraw/zinc/02/30/49/190023049.db2.gz MHMXZJPUKOUZLM-ZDUSSCGKSA-N 1 2 275.356 1.508 40 0 CDABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3cnccn3)C2)[nH+]1 ZINC000257273530 190025022 /nfs/dbraw/zinc/02/50/22/190025022.db2.gz NGZRUBQZRQVHNL-JTQLQIEISA-N 1 2 257.297 1.138 40 0 CDABLO CNc1cc([C@@H]2CCC[N@@H+]2Cc2ccnn2C)nc(C)n1 ZINC000257313737 190031723 /nfs/dbraw/zinc/03/17/23/190031723.db2.gz UTXKHRKRZSKSOO-AWEZNQCLSA-N 1 2 286.383 1.897 40 0 CDABLO CNc1cc([C@@H]2CCC[N@H+]2Cc2ccnn2C)nc(C)n1 ZINC000257313737 190031724 /nfs/dbraw/zinc/03/17/24/190031724.db2.gz UTXKHRKRZSKSOO-AWEZNQCLSA-N 1 2 286.383 1.897 40 0 CDABLO CCN(CC)C(=O)C[NH+]1CCC2(CC1)OCCC[C@@H]2OC ZINC000257322743 190034042 /nfs/dbraw/zinc/03/40/42/190034042.db2.gz WHFFMJXBCLENGV-AWEZNQCLSA-N 1 2 298.427 1.515 40 0 CDABLO Cc1cncc([C@H]2CCC[N@H+]2Cc2cnc(N(C)C)nc2)n1 ZINC000257324671 190034257 /nfs/dbraw/zinc/03/42/57/190034257.db2.gz WPQQWURSOZOSDS-OAHLLOKOSA-N 1 2 298.394 1.978 40 0 CDABLO Cc1cncc([C@H]2CCC[N@@H+]2Cc2cnc(N(C)C)nc2)n1 ZINC000257324671 190034258 /nfs/dbraw/zinc/03/42/58/190034258.db2.gz WPQQWURSOZOSDS-OAHLLOKOSA-N 1 2 298.394 1.978 40 0 CDABLO CC[C@H](C(=O)NCc1ccc[nH]1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000330466998 376140052 /nfs/dbraw/zinc/14/00/52/376140052.db2.gz XRTALBDQFDZQIB-UONOGXRCSA-N 1 2 279.384 1.520 40 0 CDABLO CC[C@H](C(=O)NCc1ccc[nH]1)[N@H+]1CCO[C@@H](CC)C1 ZINC000330466998 376140058 /nfs/dbraw/zinc/14/00/58/376140058.db2.gz XRTALBDQFDZQIB-UONOGXRCSA-N 1 2 279.384 1.520 40 0 CDABLO Cc1cc(N2CCC[C@@H]2c2ccnc(N(C)C)n2)nc[nH+]1 ZINC000072364152 291934343 /nfs/dbraw/zinc/93/43/43/291934343.db2.gz CXRQBVWRPIWZGP-CYBMUJFWSA-N 1 2 284.367 1.983 40 0 CDABLO COC[C@@H]1Cn2ccnc2C[N@H+](Cc2cccnc2)C1 ZINC000096059077 285312532 /nfs/dbraw/zinc/31/25/32/285312532.db2.gz VSPIAIQDGXGGNY-AWEZNQCLSA-N 1 2 272.352 1.557 40 0 CDABLO COC[C@@H]1Cn2ccnc2C[N@@H+](Cc2cccnc2)C1 ZINC000096059077 285312538 /nfs/dbraw/zinc/31/25/38/285312538.db2.gz VSPIAIQDGXGGNY-AWEZNQCLSA-N 1 2 272.352 1.557 40 0 CDABLO COc1c(C)[nH+]cnc1N1CCC(Cn2cccn2)CC1 ZINC000656120115 413036091 /nfs/dbraw/zinc/03/60/91/413036091.db2.gz CHYCPPSZWVFQDT-UHFFFAOYSA-N 1 2 287.367 1.907 40 0 CDABLO Cn1cc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)cn1 ZINC000044890778 175272803 /nfs/dbraw/zinc/27/28/03/175272803.db2.gz MEWBDXCHPHXDBC-AWEZNQCLSA-N 1 2 295.346 1.673 40 0 CDABLO C[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CS(=O)(=O)[C@H]1C ZINC000045027711 175293531 /nfs/dbraw/zinc/29/35/31/175293531.db2.gz CZIHGSQIHZLMGD-GMXVVIOVSA-N 1 2 253.367 1.865 40 0 CDABLO C[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CS(=O)(=O)[C@H]1C ZINC000045027711 175293533 /nfs/dbraw/zinc/29/35/33/175293533.db2.gz CZIHGSQIHZLMGD-GMXVVIOVSA-N 1 2 253.367 1.865 40 0 CDABLO Cc1nnccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000072239337 176347501 /nfs/dbraw/zinc/34/75/01/176347501.db2.gz WMSJYBFVQNHGHM-UHFFFAOYSA-N 1 2 296.374 1.743 40 0 CDABLO CNc1cccc([C@H]2CCCN(C(=O)c3cnn(C)c3)C2)[nH+]1 ZINC000072364381 176379551 /nfs/dbraw/zinc/37/95/51/176379551.db2.gz CRBLWLLHGQAPAX-LBPRGKRZSA-N 1 2 299.378 1.877 40 0 CDABLO CNc1ncc(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)cn1 ZINC000072366803 176381481 /nfs/dbraw/zinc/38/14/81/176381481.db2.gz VWGVNWYYXRMBIN-LBPRGKRZSA-N 1 2 258.329 1.579 40 0 CDABLO CNc1ncc(C[N@H+]2CCC[C@H]2c2cc[nH]n2)cn1 ZINC000072366803 176381483 /nfs/dbraw/zinc/38/14/83/176381483.db2.gz VWGVNWYYXRMBIN-LBPRGKRZSA-N 1 2 258.329 1.579 40 0 CDABLO Brc1ccc2c(c1)OC[C@]21COCC[NH2+]1 ZINC000306145709 276768170 /nfs/dbraw/zinc/76/81/70/276768170.db2.gz OHBSTKHTYIBYMN-LLVKDONJSA-N 1 2 270.126 1.657 40 0 CDABLO CN(C)C(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3nccs3)C[C@@H]2O1 ZINC000096043158 289027842 /nfs/dbraw/zinc/02/78/42/289027842.db2.gz DMKCAYFXAMYEOR-TUAOUCFPSA-N 1 2 295.408 1.211 40 0 CDABLO CN(C)C(=O)[C@H]1C[C@@H]2CC[N@@H+](Cc3nccs3)C[C@@H]2O1 ZINC000096043158 289027844 /nfs/dbraw/zinc/02/78/44/289027844.db2.gz DMKCAYFXAMYEOR-TUAOUCFPSA-N 1 2 295.408 1.211 40 0 CDABLO C[C@@H]1CNc2[nH+]cnc(N3C[C@H](C)O[C@@H](C)C3)c2C1 ZINC000226138333 1159104404 /nfs/dbraw/zinc/10/44/04/1159104404.db2.gz KRYMXFIMZDDADH-DCAQKATOSA-N 1 2 262.357 1.694 40 0 CDABLO C[C@@H]1CNc2nc[nH+]c(N3C[C@H](C)O[C@@H](C)C3)c2C1 ZINC000226138333 1159104407 /nfs/dbraw/zinc/10/44/07/1159104407.db2.gz KRYMXFIMZDDADH-DCAQKATOSA-N 1 2 262.357 1.694 40 0 CDABLO CCc1ccc(CCC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000025767398 523914096 /nfs/dbraw/zinc/91/40/96/523914096.db2.gz KKAAFPITWLRGDW-UHFFFAOYSA-N 1 2 290.407 1.630 40 0 CDABLO Cc1nc(C[N@H+]2CCC[C@](O)(CCC(=O)N(C)C)C2)co1 ZINC000585276413 342256496 /nfs/dbraw/zinc/25/64/96/342256496.db2.gz OLCXARLJERVNSI-HNNXBMFYSA-N 1 2 295.383 1.178 40 0 CDABLO Cc1nc(C[N@@H+]2CCC[C@](O)(CCC(=O)N(C)C)C2)co1 ZINC000585276413 342256497 /nfs/dbraw/zinc/25/64/97/342256497.db2.gz OLCXARLJERVNSI-HNNXBMFYSA-N 1 2 295.383 1.178 40 0 CDABLO Cc1nc(N2CCC[C@H](Cc3cc[nH]n3)C2)cc[nH+]1 ZINC000257291313 362583796 /nfs/dbraw/zinc/58/37/96/362583796.db2.gz QGLQVINNAHMLNL-GFCCVEGCSA-N 1 2 257.341 1.967 40 0 CDABLO CN(Cc1cn(C)nn1)Cc1[nH+]ccn1CC(F)(F)F ZINC000336828374 356291744 /nfs/dbraw/zinc/29/17/44/356291744.db2.gz LMFALUUKCSUFKL-UHFFFAOYSA-N 1 2 288.277 1.206 40 0 CDABLO CCC(=O)N1CCc2nnc([C@@H]3CCCC[N@@H+]3C)n2CC1 ZINC000019752486 356499921 /nfs/dbraw/zinc/49/99/21/356499921.db2.gz MCDAKWGREGHGHM-LBPRGKRZSA-N 1 2 291.399 1.230 40 0 CDABLO CCC(=O)N1CCc2nnc([C@@H]3CCCC[N@H+]3C)n2CC1 ZINC000019752486 356499924 /nfs/dbraw/zinc/49/99/24/356499924.db2.gz MCDAKWGREGHGHM-LBPRGKRZSA-N 1 2 291.399 1.230 40 0 CDABLO COc1cccc(CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000220280000 358103990 /nfs/dbraw/zinc/10/39/90/358103990.db2.gz BJTBEUCGRZTPDG-LBPRGKRZSA-N 1 2 285.347 1.840 40 0 CDABLO COc1cccc(CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000220280000 358103994 /nfs/dbraw/zinc/10/39/94/358103994.db2.gz BJTBEUCGRZTPDG-LBPRGKRZSA-N 1 2 285.347 1.840 40 0 CDABLO CC(C)Oc1ccccc1C(=O)NCC[NH+]1CCOCC1 ZINC000219736871 359119531 /nfs/dbraw/zinc/11/95/31/359119531.db2.gz HUKNLCRQSUYISC-UHFFFAOYSA-N 1 2 292.379 1.536 40 0 CDABLO Cc1cc(C)c(C)c(OC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000023643350 359254963 /nfs/dbraw/zinc/25/49/63/359254963.db2.gz WQPLBHOZSVLZFX-HNNXBMFYSA-N 1 2 279.380 1.684 40 0 CDABLO CCCNC(=O)C[NH+]1CCC(c2nc(C)no2)CC1 ZINC000064940313 361458845 /nfs/dbraw/zinc/45/88/45/361458845.db2.gz NCTCLQQWIABJHZ-UHFFFAOYSA-N 1 2 266.345 1.084 40 0 CDABLO COC(=O)[C@@H](F)CN1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000225468822 374468328 /nfs/dbraw/zinc/46/83/28/374468328.db2.gz VYQLEAVCOYXPCV-STQMWFEESA-N 1 2 295.358 1.271 40 0 CDABLO CC(C)OCCCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000225508870 374581715 /nfs/dbraw/zinc/58/17/15/374581715.db2.gz VLHKVBXJNWFIKC-LLVKDONJSA-N 1 2 265.357 1.446 40 0 CDABLO CC(C)OCCCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000225508870 374581717 /nfs/dbraw/zinc/58/17/17/374581717.db2.gz VLHKVBXJNWFIKC-LLVKDONJSA-N 1 2 265.357 1.446 40 0 CDABLO Cn1cc(C[N@@H+]2CCn3c(-c4ccncc4)cnc3C2)cn1 ZINC000306130963 374968382 /nfs/dbraw/zinc/96/83/82/374968382.db2.gz JTMIAPLSAACOFR-UHFFFAOYSA-N 1 2 294.362 1.694 40 0 CDABLO Cn1cc(C[N@H+]2CCn3c(-c4ccncc4)cnc3C2)cn1 ZINC000306130963 374968387 /nfs/dbraw/zinc/96/83/87/374968387.db2.gz JTMIAPLSAACOFR-UHFFFAOYSA-N 1 2 294.362 1.694 40 0 CDABLO CCn1ncc(C[NH2+]Cc2ccn(CCF)n2)c1F ZINC000256054217 190004969 /nfs/dbraw/zinc/00/49/69/190004969.db2.gz VMENWZVULMDBFF-UHFFFAOYSA-N 1 2 269.299 1.498 40 0 CDABLO Cc1cc(=O)[nH]c([C@]2(C)CCCN2Cc2[nH+]ccn2C)n1 ZINC000257227586 190015090 /nfs/dbraw/zinc/01/50/90/190015090.db2.gz FPZYKOIUCKTNGP-HNNXBMFYSA-N 1 2 287.367 1.735 40 0 CDABLO Cn1c[nH+]c(CNC(=O)c2ccnc(-c3cncnc3)c2)c1 ZINC000257293855 190028220 /nfs/dbraw/zinc/02/82/20/190028220.db2.gz QRMJIGINGJLDML-UHFFFAOYSA-N 1 2 294.318 1.202 40 0 CDABLO Cc1cnn(CC(=O)N2CC[C@H](c3[nH]cc(C)[nH+]3)C2)c1 ZINC000257293921 190028570 /nfs/dbraw/zinc/02/85/70/190028570.db2.gz QRSFMCKUJHORTE-LBPRGKRZSA-N 1 2 273.340 1.239 40 0 CDABLO CNc1cc([C@H]2CCCN(C(=O)c3ccn(C)n3)C2)cc[nH+]1 ZINC000257339519 190037103 /nfs/dbraw/zinc/03/71/03/190037103.db2.gz ZCBFNHALEUZCSR-ZDUSSCGKSA-N 1 2 299.378 1.877 40 0 CDABLO Cc1ccc(CNc2cc(N3CCOCC3)nc[nH+]2)nc1C ZINC000413414581 391028192 /nfs/dbraw/zinc/02/81/92/391028192.db2.gz ZOOUDTNVMWCHRJ-UHFFFAOYSA-N 1 2 299.378 1.937 40 0 CDABLO Cc1ccc(CNc2cc(N3CCOCC3)[nH+]cn2)nc1C ZINC000413414581 391028195 /nfs/dbraw/zinc/02/81/95/391028195.db2.gz ZOOUDTNVMWCHRJ-UHFFFAOYSA-N 1 2 299.378 1.937 40 0 CDABLO CCOC(=O)NCc1ccc([C@@H]2COCC[NH2+]2)o1 ZINC000217460536 391283785 /nfs/dbraw/zinc/28/37/85/391283785.db2.gz SYGKMCPFPDIJIR-JTQLQIEISA-N 1 2 254.286 1.187 40 0 CDABLO Cc1cc([C@@H]2CN(c3cc(C)[nH+]cn3)CCO2)nc(C)n1 ZINC000257292411 397607266 /nfs/dbraw/zinc/60/72/66/397607266.db2.gz QLHRLEHZLSMSJB-AWEZNQCLSA-N 1 2 285.351 1.770 40 0 CDABLO COCCCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000022516622 171389838 /nfs/dbraw/zinc/38/98/38/171389838.db2.gz LDUMTWUYAOIPHE-UHFFFAOYSA-N 1 2 292.379 1.285 40 0 CDABLO CNc1ccc([C@@H]2CN(Cc3[nH]cc[nH+]3)CCO2)nc1 ZINC000072380994 176387412 /nfs/dbraw/zinc/38/74/12/176387412.db2.gz NNGYYZPVMZOIKC-ZDUSSCGKSA-N 1 2 273.340 1.420 40 0 CDABLO CC[C@@H](Oc1ccccc1F)C(=O)N1CC[NH+](C)CC1 ZINC000078700969 177373428 /nfs/dbraw/zinc/37/34/28/177373428.db2.gz DSOVAEJVWWNWRA-CYBMUJFWSA-N 1 2 280.343 1.757 40 0 CDABLO CC(C)C[C@H]1C(=O)N([C@H]2CCn3cc[nH+]c3C2)C(=O)N1C ZINC000330295203 279198420 /nfs/dbraw/zinc/19/84/20/279198420.db2.gz FNXXSLMJJJINNS-RYUDHWBXSA-N 1 2 290.367 1.507 40 0 CDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2ccsc2)[nH+]1 ZINC000257320045 301024989 /nfs/dbraw/zinc/02/49/89/301024989.db2.gz VVCMFLFMTDKQNT-NSHDSACASA-N 1 2 277.349 1.993 40 0 CDABLO CCOC[C@@H]1C[N@H+](Cc2cccnc2)Cc2ncn(C)c21 ZINC000096060218 185080789 /nfs/dbraw/zinc/08/07/89/185080789.db2.gz SQZGKGOQQCHCCX-AWEZNQCLSA-N 1 2 286.379 1.951 40 0 CDABLO CCOC[C@@H]1C[N@@H+](Cc2cccnc2)Cc2ncn(C)c21 ZINC000096060218 185080791 /nfs/dbraw/zinc/08/07/91/185080791.db2.gz SQZGKGOQQCHCCX-AWEZNQCLSA-N 1 2 286.379 1.951 40 0 CDABLO COc1ccccc1CN1Cc2[nH+]cn(C)c2C[C@H]1CO ZINC000585094538 342211247 /nfs/dbraw/zinc/21/12/47/342211247.db2.gz ALDGYRWWPLHYGB-ZDUSSCGKSA-N 1 2 287.363 1.348 40 0 CDABLO OC[C@@H]1CCn2nccc2C[N@@H+]1Cc1ccncc1 ZINC000585098291 342211648 /nfs/dbraw/zinc/21/16/48/342211648.db2.gz VQZFZTNKPUZRRP-AWEZNQCLSA-N 1 2 258.325 1.045 40 0 CDABLO OC[C@@H]1CCn2nccc2C[N@H+]1Cc1ccncc1 ZINC000585098291 342211649 /nfs/dbraw/zinc/21/16/49/342211649.db2.gz VQZFZTNKPUZRRP-AWEZNQCLSA-N 1 2 258.325 1.045 40 0 CDABLO Cc1nc(N2CC[C@@](O)(COc3ccccc3)C2)cc[nH+]1 ZINC000585273309 342255800 /nfs/dbraw/zinc/25/58/00/342255800.db2.gz BTDDGWWZFWXKPQ-INIZCTEOSA-N 1 2 285.347 1.805 40 0 CDABLO O[C@@H]1CC[N@H+](Cc2ncc[nH]2)C[C@H]1Cc1ccccc1F ZINC000585275163 342255960 /nfs/dbraw/zinc/25/59/60/342255960.db2.gz YQGMOISWUUFRSS-UKRRQHHQSA-N 1 2 289.354 1.974 40 0 CDABLO O[C@@H]1CC[N@@H+](Cc2ncc[nH]2)C[C@H]1Cc1ccccc1F ZINC000585275163 342255961 /nfs/dbraw/zinc/25/59/61/342255961.db2.gz YQGMOISWUUFRSS-UKRRQHHQSA-N 1 2 289.354 1.974 40 0 CDABLO O=C(C=C(O)c1ccccc1)O[C@@H]1C[NH+]2CCC1CC2 ZINC000001730899 355949809 /nfs/dbraw/zinc/94/98/09/355949809.db2.gz IIAUBPLJCDXVKI-OAHLLOKOSA-N 1 2 273.332 1.897 40 0 in-vitro CDABLO C[C@@H](C(=O)NCc1[nH+]ccn1C)n1nnc2ccccc21 ZINC000019080461 356474704 /nfs/dbraw/zinc/47/47/04/356474704.db2.gz PLVPWDXEGDIELT-JTQLQIEISA-N 1 2 284.323 1.042 40 0 CDABLO Cc1ccc(NC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000019683342 356495119 /nfs/dbraw/zinc/49/51/19/356495119.db2.gz BQEOUAXYDKVVLY-UHFFFAOYSA-N 1 2 263.341 1.449 40 0 CDABLO O=C(C[NH+]1CCC(O)CC1)Nc1nc2c(s1)CCC2 ZINC000048554229 356884383 /nfs/dbraw/zinc/88/43/83/356884383.db2.gz MVWPJSSAQTXUDE-UHFFFAOYSA-N 1 2 281.381 1.027 40 0 CDABLO COCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000041590126 357041899 /nfs/dbraw/zinc/04/18/99/357041899.db2.gz UBPUGBJBPUNGOH-VMPITWQZSA-N 1 2 274.364 1.490 40 0 CDABLO CC(C)(C)NC(=O)C[NH2+]C(C)(C)c1nccs1 ZINC000072662335 358543296 /nfs/dbraw/zinc/54/32/96/358543296.db2.gz WBUMASWEZRBFLT-UHFFFAOYSA-N 1 2 255.387 1.883 40 0 CDABLO C[N@H+]1Cc2cccc(I)c2[C@H](O)C1 ZINC000096171901 358713345 /nfs/dbraw/zinc/71/33/45/358713345.db2.gz BXMJYXBROALGEP-SECBINFHSA-N 1 2 289.116 1.770 40 0 CDABLO C[N@@H+]1Cc2cccc(I)c2[C@H](O)C1 ZINC000096171901 358713346 /nfs/dbraw/zinc/71/33/46/358713346.db2.gz BXMJYXBROALGEP-SECBINFHSA-N 1 2 289.116 1.770 40 0 CDABLO O=S(=O)(C1CC1)N1CC[C@@H]2[C@@H]1CCN2c1cccc[nH+]1 ZINC000096184526 358713602 /nfs/dbraw/zinc/71/36/02/358713602.db2.gz MJQKWOSHTOXSBL-OLZOCXBDSA-N 1 2 293.392 1.227 40 0 CDABLO O=C(CC1CC1)N1Cc2[nH+]ccn2C[C@H](Cn2cccn2)C1 ZINC000096188583 358714933 /nfs/dbraw/zinc/71/49/33/358714933.db2.gz HEUKMGJTKQVVBW-AWEZNQCLSA-N 1 2 299.378 1.538 40 0 CDABLO c1cnn(C[C@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2ccccn2)c1 ZINC000096250256 358726275 /nfs/dbraw/zinc/72/62/75/358726275.db2.gz RFGSQPGCXTZOQZ-PVAVHDDUSA-N 1 2 298.390 1.958 40 0 CDABLO c1cnn(C[C@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2ccccn2)c1 ZINC000096250256 358726279 /nfs/dbraw/zinc/72/62/79/358726279.db2.gz RFGSQPGCXTZOQZ-PVAVHDDUSA-N 1 2 298.390 1.958 40 0 CDABLO CCOc1ncnc2c1CC[N@H+](Cc1nccs1)CC2 ZINC000096255600 358728526 /nfs/dbraw/zinc/72/85/26/358728526.db2.gz ZYUHWLSRHOEVTN-UHFFFAOYSA-N 1 2 290.392 1.933 40 0 CDABLO CCOc1ncnc2c1CC[N@@H+](Cc1nccs1)CC2 ZINC000096255600 358728531 /nfs/dbraw/zinc/72/85/31/358728531.db2.gz ZYUHWLSRHOEVTN-UHFFFAOYSA-N 1 2 290.392 1.933 40 0 CDABLO Nc1ccc(N2CC[C@H]([NH+]3CCOCC3)C2)c(F)c1 ZINC000062976157 358788132 /nfs/dbraw/zinc/78/81/32/358788132.db2.gz HVISPTLJKMVAJI-LBPRGKRZSA-N 1 2 265.332 1.319 40 0 CDABLO Nc1nc(N)c2c([nH+]1)NC(=O)C[C@@H]2c1ccccc1 ZINC000001611954 283686260 /nfs/dbraw/zinc/68/62/60/283686260.db2.gz QWOHCPLLOYAPOS-MRVPVSSYSA-N 1 2 255.281 1.115 40 0 CDABLO Cn1c[nH+]cc1C[C@H]1COC(=O)[C@@H]1[C@H](O)c1ccccc1 ZINC000004339260 374307418 /nfs/dbraw/zinc/30/74/18/374307418.db2.gz DZOVBAVEJYPSLL-AEGPPILISA-N 1 2 286.331 1.485 40 0 CDABLO Cc1cc(NC(=O)CCNC(=O)C(C)(C)C)cc[nH+]1 ZINC000079001796 374754262 /nfs/dbraw/zinc/75/42/62/374754262.db2.gz VFHBEHFKHKRQTA-UHFFFAOYSA-N 1 2 263.341 1.881 40 0 CDABLO CC[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O ZINC000095093751 374869030 /nfs/dbraw/zinc/86/90/30/374869030.db2.gz IHBQAHGUSUKNNA-PHIMTYICSA-N 1 2 268.357 1.374 40 0 CDABLO CC[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O ZINC000095093751 374869036 /nfs/dbraw/zinc/86/90/36/374869036.db2.gz IHBQAHGUSUKNNA-PHIMTYICSA-N 1 2 268.357 1.374 40 0 CDABLO CC(C)[N@H+]1Cc2ccnn2[C@H](CNC(=O)N2CCCC2)C1 ZINC000306132159 374969997 /nfs/dbraw/zinc/96/99/97/374969997.db2.gz LAJLBQFEFPQBND-CQSZACIVSA-N 1 2 291.399 1.454 40 0 CDABLO CC(C)[N@@H+]1Cc2ccnn2[C@H](CNC(=O)N2CCCC2)C1 ZINC000306132159 374969998 /nfs/dbraw/zinc/96/99/98/374969998.db2.gz LAJLBQFEFPQBND-CQSZACIVSA-N 1 2 291.399 1.454 40 0 CDABLO Cc1cc(C(=O)NCC(C)C)nc([C@@H]2CCC[N@@H+]2C)n1 ZINC000257311113 190032206 /nfs/dbraw/zinc/03/22/06/190032206.db2.gz UHZPGPHVXWDKQW-ZDUSSCGKSA-N 1 2 276.384 1.938 40 0 CDABLO Cc1cc(C(=O)NCC(C)C)nc([C@@H]2CCC[N@H+]2C)n1 ZINC000257311113 190032207 /nfs/dbraw/zinc/03/22/07/190032207.db2.gz UHZPGPHVXWDKQW-ZDUSSCGKSA-N 1 2 276.384 1.938 40 0 CDABLO CNc1cc([C@@H]2CCCN(C(=O)c3cnccn3)C2)cc[nH+]1 ZINC000257319146 190033494 /nfs/dbraw/zinc/03/34/94/190033494.db2.gz VQYMYQBFKODRKT-CYBMUJFWSA-N 1 2 297.362 1.933 40 0 CDABLO CCCn1cc(C[N@@H+]2C[C@H](OC)[C@]3(CCCO3)C2)cn1 ZINC000257324206 190034100 /nfs/dbraw/zinc/03/41/00/190034100.db2.gz WNRIVEFFPZWPAX-GJZGRUSLSA-N 1 2 279.384 1.673 40 0 CDABLO CCCn1cc(C[N@H+]2C[C@H](OC)[C@]3(CCCO3)C2)cn1 ZINC000257324206 190034101 /nfs/dbraw/zinc/03/41/01/190034101.db2.gz WNRIVEFFPZWPAX-GJZGRUSLSA-N 1 2 279.384 1.673 40 0 CDABLO CC(=O)N1CCC([N@@H+]2CCC[C@H]2c2cncc(C)n2)CC1 ZINC000257326002 190034428 /nfs/dbraw/zinc/03/44/28/190034428.db2.gz WVJAIKGIWIACEL-INIZCTEOSA-N 1 2 288.395 1.933 40 0 CDABLO CC(=O)N1CCC([N@H+]2CCC[C@H]2c2cncc(C)n2)CC1 ZINC000257326002 190034429 /nfs/dbraw/zinc/03/44/29/190034429.db2.gz WVJAIKGIWIACEL-INIZCTEOSA-N 1 2 288.395 1.933 40 0 CDABLO C[N@H+](CC(N)=O)Cc1ccccc1OCC(F)(F)F ZINC000075626039 377845744 /nfs/dbraw/zinc/84/57/44/377845744.db2.gz NYTZZCUOAUIMAE-UHFFFAOYSA-N 1 2 276.258 1.545 40 0 CDABLO C[N@@H+](CC(N)=O)Cc1ccccc1OCC(F)(F)F ZINC000075626039 377845751 /nfs/dbraw/zinc/84/57/51/377845751.db2.gz NYTZZCUOAUIMAE-UHFFFAOYSA-N 1 2 276.258 1.545 40 0 CDABLO CC(=O)N1CCCC[C@@H]1c1ccc(N2CCOCC2)[nH+]c1 ZINC000072216196 390620571 /nfs/dbraw/zinc/62/05/71/390620571.db2.gz VCIQHGBNAIGLRK-OAHLLOKOSA-N 1 2 289.379 1.992 40 0 CDABLO Cc1cc(N2CCC[C@@H](c3nncn3C)C2)nc[nH+]1 ZINC000072385552 390628391 /nfs/dbraw/zinc/62/83/91/390628391.db2.gz RETVXLPJQNZZMW-LLVKDONJSA-N 1 2 258.329 1.298 40 0 CDABLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2)o1 ZINC000040460644 174270290 /nfs/dbraw/zinc/27/02/90/174270290.db2.gz SWPBVDANNYNJJV-GFCCVEGCSA-N 1 2 286.335 1.576 40 0 CDABLO NC(=O)[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccccc2)o1 ZINC000040460644 174270292 /nfs/dbraw/zinc/27/02/92/174270292.db2.gz SWPBVDANNYNJJV-GFCCVEGCSA-N 1 2 286.335 1.576 40 0 CDABLO COCC(=O)N1CCC(C(=O)c2cc(C)c[nH+]c2N)CC1 ZINC000072398528 176397031 /nfs/dbraw/zinc/39/70/31/176397031.db2.gz FFSSFBGIOVMYGG-UHFFFAOYSA-N 1 2 291.351 1.040 40 0 CDABLO CNC(=O)CC[N@@H+]1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000075023707 176655197 /nfs/dbraw/zinc/65/51/97/176655197.db2.gz ZTLNQVAYXWQHLB-SECBINFHSA-N 1 2 288.800 1.911 40 0 CDABLO CNC(=O)CC[N@H+]1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000075023707 176655199 /nfs/dbraw/zinc/65/51/99/176655199.db2.gz ZTLNQVAYXWQHLB-SECBINFHSA-N 1 2 288.800 1.911 40 0 CDABLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccccc1 ZINC000382701624 943941590 /nfs/dbraw/zinc/94/15/90/943941590.db2.gz OTGDNZWKSLJDNY-QDMKHBRRSA-N 1 2 275.348 1.839 40 0 CDABLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccccc1 ZINC000382701624 943941592 /nfs/dbraw/zinc/94/15/92/943941592.db2.gz OTGDNZWKSLJDNY-QDMKHBRRSA-N 1 2 275.348 1.839 40 0 CDABLO [NH3+][C@@H](c1nnc(-c2ccncc2)[nH]1)c1ccccc1 ZINC000095533377 185005767 /nfs/dbraw/zinc/00/57/67/185005767.db2.gz HKFWLNQIJQQJDH-GFCCVEGCSA-N 1 2 251.293 1.915 40 0 CDABLO [NH3+][C@@H](c1n[nH]c(-c2ccncc2)n1)c1ccccc1 ZINC000095533377 185005768 /nfs/dbraw/zinc/00/57/68/185005768.db2.gz HKFWLNQIJQQJDH-GFCCVEGCSA-N 1 2 251.293 1.915 40 0 CDABLO O=C(c1ccco1)N1CCO[C@H]2CN(c3cccc[nH+]3)C[C@H]21 ZINC000096081810 185090832 /nfs/dbraw/zinc/09/08/32/185090832.db2.gz NKSNVFOIHHMYGI-OCCSQVGLSA-N 1 2 299.330 1.404 40 0 CDABLO COC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)c1ccoc1 ZINC000585095012 342211358 /nfs/dbraw/zinc/21/13/58/342211358.db2.gz ZPSOGPAZHGDYMR-NSHDSACASA-N 1 2 275.308 1.227 40 0 CDABLO CNc1ncccc1CN1CCOC[C@@H]1c1[nH]cc(C)[nH+]1 ZINC000585181468 342232649 /nfs/dbraw/zinc/23/26/49/342232649.db2.gz VYGBVFGAJJWXPZ-CYBMUJFWSA-N 1 2 287.367 1.728 40 0 CDABLO COC[C@@H]1CN(C(=O)c2ccc(C)nc2)Cc2c[nH+]cn21 ZINC000248109566 362151189 /nfs/dbraw/zinc/15/11/89/362151189.db2.gz QEDKUDYRFKACTQ-AWEZNQCLSA-N 1 2 286.335 1.430 40 0 CDABLO COCc1ccc(C(=O)Nc2c(N)nc[nH+]c2N)cc1 ZINC000001749433 355950342 /nfs/dbraw/zinc/95/03/42/355950342.db2.gz YYTFUWPURTXPEX-UHFFFAOYSA-N 1 2 273.296 1.040 40 0 CDABLO O=C(C[N@H+]1[C@@H]2CC[C@H]1Cc1nnsc12)N1CCCCC1 ZINC000019015024 356475100 /nfs/dbraw/zinc/47/51/00/356475100.db2.gz SFQWGYNANQIPSF-CMPLNLGQSA-N 1 2 292.408 1.612 40 0 CDABLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1Cc1nnsc12)N1CCCCC1 ZINC000019015024 356475103 /nfs/dbraw/zinc/47/51/03/356475103.db2.gz SFQWGYNANQIPSF-CMPLNLGQSA-N 1 2 292.408 1.612 40 0 CDABLO C1=CC[C@@H]([C@@H]2OC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000036001092 357126432 /nfs/dbraw/zinc/12/64/32/357126432.db2.gz AAPOJYKIJJMKDM-HZSPNIEDSA-N 1 2 253.342 1.416 40 0 CDABLO C[NH+]1CCN(C(=O)c2cc(Cl)nnc2Cl)CC1 ZINC000054061419 357308735 /nfs/dbraw/zinc/30/87/35/357308735.db2.gz WHAWRRQMDKLOQN-UHFFFAOYSA-N 1 2 275.139 1.171 40 0 CDABLO Cc1cc(N2CCC[C@H](C(=O)N3CCCC3)C2)nc[nH+]1 ZINC000072368985 357831236 /nfs/dbraw/zinc/83/12/36/357831236.db2.gz YSIDZUHXSRGQIZ-ZDUSSCGKSA-N 1 2 274.368 1.624 40 0 CDABLO CN1CCN(C(=O)NCc2cccnc2)Cc2ccc[nH+]c21 ZINC000096198794 358717489 /nfs/dbraw/zinc/71/74/89/358717489.db2.gz LXLAPYRLGAMMSJ-UHFFFAOYSA-N 1 2 297.362 1.638 40 0 CDABLO O=C(NCCn1cccc1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000225511929 374627085 /nfs/dbraw/zinc/62/70/85/374627085.db2.gz GVDWVWIFTYSJMN-LLVKDONJSA-N 1 2 258.325 1.133 40 0 CDABLO O=C(NCCn1cccc1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000225511929 374627090 /nfs/dbraw/zinc/62/70/90/374627090.db2.gz GVDWVWIFTYSJMN-LLVKDONJSA-N 1 2 258.325 1.133 40 0 CDABLO O=C(/C=C/c1cccnc1)NCCCCn1cc[nH+]c1 ZINC000079050368 374764546 /nfs/dbraw/zinc/76/45/46/374764546.db2.gz MPOBTKKJCOLWOM-AATRIKPKSA-N 1 2 270.336 1.888 40 0 CDABLO CO[C@H](C)CN(C)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000257214030 190013270 /nfs/dbraw/zinc/01/32/70/190013270.db2.gz CKFMJORSLLNBJO-LLVKDONJSA-N 1 2 274.324 1.374 40 0 CDABLO CC(=O)N1CCC[C@@H](Cc2c[nH+]cc(NCCO)c2)CC1 ZINC000257238236 190018077 /nfs/dbraw/zinc/01/80/77/190018077.db2.gz HKCAYUGCEHTOSP-CQSZACIVSA-N 1 2 291.395 1.677 40 0 CDABLO Cc1cc(N)nc([C@]2(C)CCCN2Cc2[nH+]ccn2C)n1 ZINC000257246615 190019201 /nfs/dbraw/zinc/01/92/01/190019201.db2.gz IUXBMGMRZFYOPP-HNNXBMFYSA-N 1 2 286.383 1.612 40 0 CDABLO Cc1cc(N)nc([C@@]2(C)CCCN2Cc2[nH+]ccn2C)n1 ZINC000257246616 190019558 /nfs/dbraw/zinc/01/95/58/190019558.db2.gz IUXBMGMRZFYOPP-OAHLLOKOSA-N 1 2 286.383 1.612 40 0 CDABLO Cc1c[nH]c([C@H]2CCCN2S(=O)(=O)C(C)C)[nH+]1 ZINC000257271112 190024231 /nfs/dbraw/zinc/02/42/31/190024231.db2.gz MWXHTGSWLMJNOI-SNVBAGLBSA-N 1 2 257.359 1.593 40 0 CDABLO Cc1nccc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)n1 ZINC000257258578 190021703 /nfs/dbraw/zinc/02/17/03/190021703.db2.gz KUQHRENSRJSYQQ-GFCCVEGCSA-N 1 2 257.341 1.888 40 0 CDABLO Cc1nccc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)n1 ZINC000257258578 190021704 /nfs/dbraw/zinc/02/17/04/190021704.db2.gz KUQHRENSRJSYQQ-GFCCVEGCSA-N 1 2 257.341 1.888 40 0 CDABLO CCc1cc(C(=O)N2CCOC[C@H]2c2[nH]cc(C)[nH+]2)no1 ZINC000257289690 190027808 /nfs/dbraw/zinc/02/78/08/190027808.db2.gz PZUUXEQXBGEHOM-LBPRGKRZSA-N 1 2 290.323 1.482 40 0 CDABLO c1nnc(Nc2cc(CC3CC[NH2+]CC3)ncn2)s1 ZINC000257303888 190030639 /nfs/dbraw/zinc/03/06/39/190030639.db2.gz SJDWQNMVXSUPBU-UHFFFAOYSA-N 1 2 276.369 1.614 40 0 CDABLO O[C@@H]1C[N@H+](Cc2ncccc2F)C[C@H]1Oc1ccccc1 ZINC000257322876 190034133 /nfs/dbraw/zinc/03/41/33/190034133.db2.gz WHUCWJAKZBYOBK-HZPDHXFCSA-N 1 2 288.322 1.845 40 0 CDABLO O[C@@H]1C[N@@H+](Cc2ncccc2F)C[C@H]1Oc1ccccc1 ZINC000257322876 190034134 /nfs/dbraw/zinc/03/41/34/190034134.db2.gz WHUCWJAKZBYOBK-HZPDHXFCSA-N 1 2 288.322 1.845 40 0 CDABLO COCC[N@@H+]1CCOC[C@H](Cc2ncccc2C)C1 ZINC000257323909 190034430 /nfs/dbraw/zinc/03/44/30/190034430.db2.gz WMIMWJBKHVMOKD-CQSZACIVSA-N 1 2 264.369 1.527 40 0 CDABLO COCC[N@H+]1CCOC[C@H](Cc2ncccc2C)C1 ZINC000257323909 190034431 /nfs/dbraw/zinc/03/44/31/190034431.db2.gz WMIMWJBKHVMOKD-CQSZACIVSA-N 1 2 264.369 1.527 40 0 CDABLO O=C(C[N@@H+]1CCC[C@H]1c1ccncn1)N1CCCCC1 ZINC000257336747 190036289 /nfs/dbraw/zinc/03/62/89/190036289.db2.gz YPVJQVWBASCBOT-AWEZNQCLSA-N 1 2 274.368 1.626 40 0 CDABLO O=C(C[N@H+]1CCC[C@H]1c1ccncn1)N1CCCCC1 ZINC000257336747 190036290 /nfs/dbraw/zinc/03/62/90/190036290.db2.gz YPVJQVWBASCBOT-AWEZNQCLSA-N 1 2 274.368 1.626 40 0 CDABLO CCCn1cc[nH+]c1CN1CCOC[C@@H]1c1cc[nH]n1 ZINC000257337943 190036475 /nfs/dbraw/zinc/03/64/75/190036475.db2.gz YVCHXCDXQHSKAX-CYBMUJFWSA-N 1 2 275.356 1.590 40 0 CDABLO CNc1cccc([C@@H]2CN(Cc3[nH+]ccn3C)CCO2)n1 ZINC000257344892 190037695 /nfs/dbraw/zinc/03/76/95/190037695.db2.gz ZZBIEXGULODPKL-ZDUSSCGKSA-N 1 2 287.367 1.430 40 0 CDABLO O=CN1CCC[C@@H]1c1ccc(N2CCOCC2)[nH+]c1 ZINC000072216150 390621026 /nfs/dbraw/zinc/62/10/26/390621026.db2.gz LPKFHEZUCFIHSS-CYBMUJFWSA-N 1 2 261.325 1.212 40 0 CDABLO OCC[N@@H+]1CCO[C@@H](COc2ccc(Cl)cc2)C1 ZINC000217485194 392960752 /nfs/dbraw/zinc/96/07/52/392960752.db2.gz WYRFRGWCBJPBPC-CYBMUJFWSA-N 1 2 271.744 1.412 40 0 CDABLO OCC[N@H+]1CCO[C@@H](COc2ccc(Cl)cc2)C1 ZINC000217485194 392960759 /nfs/dbraw/zinc/96/07/59/392960759.db2.gz WYRFRGWCBJPBPC-CYBMUJFWSA-N 1 2 271.744 1.412 40 0 CDABLO O=C(NCCCn1cc[nH+]c1)c1nnc2ccccc2n1 ZINC000046088185 423931812 /nfs/dbraw/zinc/93/18/12/423931812.db2.gz SBHNLCYPJVGVKS-UHFFFAOYSA-N 1 2 282.307 1.041 40 0 CDABLO COC[C@@H]1Cn2ccnc2C[N@H+](Cc2ccoc2)C1 ZINC000096059065 277255558 /nfs/dbraw/zinc/25/55/58/277255558.db2.gz QWMBXLXSCJKWHZ-ZDUSSCGKSA-N 1 2 261.325 1.755 40 0 CDABLO COC[C@@H]1Cn2ccnc2C[N@@H+](Cc2ccoc2)C1 ZINC000096059065 277255559 /nfs/dbraw/zinc/25/55/59/277255559.db2.gz QWMBXLXSCJKWHZ-ZDUSSCGKSA-N 1 2 261.325 1.755 40 0 CDABLO COC[C@@H]1Cn2cc[nH+]c2CN(Cc2ccoc2)C1 ZINC000096059065 277255560 /nfs/dbraw/zinc/25/55/60/277255560.db2.gz QWMBXLXSCJKWHZ-ZDUSSCGKSA-N 1 2 261.325 1.755 40 0 CDABLO Cc1cc(N2CCO[C@H](CCc3ccncn3)C2)nc[nH+]1 ZINC000257213955 362577535 /nfs/dbraw/zinc/57/75/35/362577535.db2.gz CJVLLSUVIYEGGE-CQSZACIVSA-N 1 2 285.351 1.413 40 0 CDABLO Cc1ncc(C[N@@H+]2CCCC[C@@H]2c2ccnc(N)n2)cn1 ZINC000257261108 362581066 /nfs/dbraw/zinc/58/10/66/362581066.db2.gz LFTDANMMCXAKPJ-CQSZACIVSA-N 1 2 284.367 1.884 40 0 CDABLO Cc1ncc(C[N@H+]2CCCC[C@@H]2c2ccnc(N)n2)cn1 ZINC000257261108 362581069 /nfs/dbraw/zinc/58/10/69/362581069.db2.gz LFTDANMMCXAKPJ-CQSZACIVSA-N 1 2 284.367 1.884 40 0 CDABLO COCCC(=O)N1CC[N@H+](C)[C@H](c2ccc(OC)cc2)C1 ZINC000257265553 362582898 /nfs/dbraw/zinc/58/28/98/362582898.db2.gz LZDKREMFLOCJNU-HNNXBMFYSA-N 1 2 292.379 1.547 40 0 CDABLO COCCC(=O)N1CC[N@@H+](C)[C@H](c2ccc(OC)cc2)C1 ZINC000257265553 362582900 /nfs/dbraw/zinc/58/29/00/362582900.db2.gz LZDKREMFLOCJNU-HNNXBMFYSA-N 1 2 292.379 1.547 40 0 CDABLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)c1cccc(=O)[nH]1 ZINC000257288775 362583362 /nfs/dbraw/zinc/58/33/62/362583362.db2.gz PVOZHUWIUJCQAB-LBPRGKRZSA-N 1 2 298.346 1.581 40 0 CDABLO O=C(c1cccs1)N1CCO[C@@H](Cn2cc[nH+]c2)C1 ZINC000019342720 356481072 /nfs/dbraw/zinc/48/10/72/356481072.db2.gz CHTRGGOWXSKZKZ-NSHDSACASA-N 1 2 277.349 1.486 40 0 CDABLO O=C(NCc1ccccc1)[C@@H]1CN(c2cccc[nH+]2)CCO1 ZINC000072366421 357830943 /nfs/dbraw/zinc/83/09/43/357830943.db2.gz HFYUQRVEFHYCGQ-HNNXBMFYSA-N 1 2 297.358 1.603 40 0 CDABLO Cc1ccccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000019913863 358221155 /nfs/dbraw/zinc/22/11/55/358221155.db2.gz KJRWWQLYPASADB-CYBMUJFWSA-N 1 2 251.326 1.067 40 0 CDABLO COc1cc(N2CC[C@@H]3[C@@H]2CCN3c2cccc[nH+]2)ncn1 ZINC000096184780 358714398 /nfs/dbraw/zinc/71/43/98/358714398.db2.gz DBFYZEUJWVGFBW-OLZOCXBDSA-N 1 2 297.362 1.738 40 0 CDABLO C[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1csnn1)C2 ZINC000096221993 358722962 /nfs/dbraw/zinc/72/29/62/358722962.db2.gz MCFJECCHPWUWEG-JQWIXIFHSA-N 1 2 253.371 1.929 40 0 CDABLO C[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1csnn1)C2 ZINC000096221993 358722965 /nfs/dbraw/zinc/72/29/65/358722965.db2.gz MCFJECCHPWUWEG-JQWIXIFHSA-N 1 2 253.371 1.929 40 0 CDABLO C[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1csnn1)C2 ZINC000096221986 358723020 /nfs/dbraw/zinc/72/30/20/358723020.db2.gz MCFJECCHPWUWEG-ZYHUDNBSSA-N 1 2 253.371 1.929 40 0 CDABLO C[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1csnn1)C2 ZINC000096221986 358723022 /nfs/dbraw/zinc/72/30/22/358723022.db2.gz MCFJECCHPWUWEG-ZYHUDNBSSA-N 1 2 253.371 1.929 40 0 CDABLO CC(C)(C)C(=O)N1CC[NH+](C[C@@H](O)c2cccs2)CC1 ZINC000049031277 373981878 /nfs/dbraw/zinc/98/18/78/373981878.db2.gz HXFDBMHTCIJVBD-GFCCVEGCSA-N 1 2 296.436 1.972 40 0 CDABLO CN(C)c1cc([C@@H]2CCCN2S(=O)(=O)N(C)C)cc[nH+]1 ZINC000257204026 190011415 /nfs/dbraw/zinc/01/14/15/190011415.db2.gz ASSYXFSJKYYIAV-LBPRGKRZSA-N 1 2 298.412 1.091 40 0 CDABLO Cn1cc[nH+]c1CN1CCO[C@H](CCc2ccncn2)C1 ZINC000257206297 190011462 /nfs/dbraw/zinc/01/14/62/190011462.db2.gz BCTARRACMVMLAB-CQSZACIVSA-N 1 2 287.367 1.044 40 0 CDABLO O=c1[nH]cccc1-c1noc(C[N@H+]2CCC[C@H](CO)C2)n1 ZINC000257227736 190015749 /nfs/dbraw/zinc/01/57/49/190015749.db2.gz FQQWWXBXKMLJEW-JTQLQIEISA-N 1 2 290.323 1.042 40 0 CDABLO O=c1[nH]cccc1-c1noc(C[N@@H+]2CCC[C@H](CO)C2)n1 ZINC000257227736 190015750 /nfs/dbraw/zinc/01/57/50/190015750.db2.gz FQQWWXBXKMLJEW-JTQLQIEISA-N 1 2 290.323 1.042 40 0 CDABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3cnc(C)cn3)C2)[nH+]1 ZINC000257288428 190026694 /nfs/dbraw/zinc/02/66/94/190026694.db2.gz PUDRTGQEMAOCRU-NSHDSACASA-N 1 2 271.324 1.446 40 0 CDABLO Cc1c[nH]c([C@H]2CCCN2C(=O)Cc2c(C)n[nH]c2C)[nH+]1 ZINC000257272778 190024585 /nfs/dbraw/zinc/02/45/85/190024585.db2.gz NDVOHNGJPANMAG-CYBMUJFWSA-N 1 2 287.367 1.964 40 0 CDABLO Fc1ccccc1OCCc1cc([C@@H]2C[NH2+]CCO2)n[nH]1 ZINC000257289948 190028050 /nfs/dbraw/zinc/02/80/50/190028050.db2.gz QAWMXMCHYAATJI-HNNXBMFYSA-N 1 2 291.326 1.831 40 0 CDABLO CCS(=O)(=O)N1CCC[C@H](c2cc[nH+]c(NC)c2)C1 ZINC000257296310 190028323 /nfs/dbraw/zinc/02/83/23/190028323.db2.gz RCEGYKPDLYQMDK-LBPRGKRZSA-N 1 2 283.397 1.652 40 0 CDABLO CC(=O)N1CCN(c2ccc([C@H](C)O)c(C)[nH+]2)CC1 ZINC000072224777 390625035 /nfs/dbraw/zinc/62/50/35/390625035.db2.gz MDBVLRHOGAPVND-NSHDSACASA-N 1 2 263.341 1.112 40 0 CDABLO NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccncc1 ZINC000119808265 390858173 /nfs/dbraw/zinc/85/81/73/390858173.db2.gz NDEOWGMPHPYTFR-HNNXBMFYSA-N 1 2 267.332 1.494 40 0 CDABLO NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccncc1 ZINC000119808265 390858175 /nfs/dbraw/zinc/85/81/75/390858175.db2.gz NDEOWGMPHPYTFR-HNNXBMFYSA-N 1 2 267.332 1.494 40 0 CDABLO Cc1cccnc1NC(=S)NCC[NH+]1CCOCC1 ZINC000061242398 175643107 /nfs/dbraw/zinc/64/31/07/175643107.db2.gz VGWDOCQQFFEHSC-UHFFFAOYSA-N 1 2 280.397 1.009 40 0 CDABLO CC(=O)N1CCC[C@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072359241 176376992 /nfs/dbraw/zinc/37/69/92/176376992.db2.gz NQCBMHRYKYEWBW-LBPRGKRZSA-N 1 2 271.324 1.388 40 0 CDABLO Cc1cc(N2CCC[C@H]2c2cncc(N(C)C)n2)nc[nH+]1 ZINC000072364138 176378788 /nfs/dbraw/zinc/37/87/88/176378788.db2.gz OSELDQBFERHFLG-ZDUSSCGKSA-N 1 2 284.367 1.983 40 0 CDABLO Cc1cc(N2CCCN(c3cccc[nH+]3)CC2)ncn1 ZINC000072368987 176383675 /nfs/dbraw/zinc/38/36/75/176383675.db2.gz BKKKHCJRFCTFDH-UHFFFAOYSA-N 1 2 269.352 1.897 40 0 CDABLO Cc1cc(=O)cc(C2CN(c3cc(C)[nH+]cn3)C2)[nH]1 ZINC000072385569 176390470 /nfs/dbraw/zinc/39/04/70/176390470.db2.gz VDDVUSYHDOFIIN-UHFFFAOYSA-N 1 2 256.309 1.386 40 0 CDABLO CCc1ccccc1CNC(=O)NCc1[nH+]ccn1C ZINC000077581695 177282799 /nfs/dbraw/zinc/28/27/99/177282799.db2.gz KFFXFKANALQOON-UHFFFAOYSA-N 1 2 272.352 1.982 40 0 CDABLO CCOC(=O)C1CCC2(CC1)NC(=O)[C@H]1CCCC[N@H+]12 ZINC000078759093 177382725 /nfs/dbraw/zinc/38/27/25/177382725.db2.gz DNCHZGLTNNLQPX-MQYJIDSJSA-N 1 2 280.368 1.420 40 0 CDABLO CCOC(=O)C1CCC2(CC1)NC(=O)[C@H]1CCCC[N@@H+]12 ZINC000078759093 177382727 /nfs/dbraw/zinc/38/27/27/177382727.db2.gz DNCHZGLTNNLQPX-MQYJIDSJSA-N 1 2 280.368 1.420 40 0 CDABLO O=C1CNc2[nH+]cnc(N3CCc4ccccc4C3)c2N1 ZINC000041121649 280266205 /nfs/dbraw/zinc/26/62/05/280266205.db2.gz XLULZZINVUIZRW-UHFFFAOYSA-N 1 2 281.319 1.403 40 0 CDABLO O=C1CNc2nc[nH+]c(N3CCc4ccccc4C3)c2N1 ZINC000041121649 280266206 /nfs/dbraw/zinc/26/62/06/280266206.db2.gz XLULZZINVUIZRW-UHFFFAOYSA-N 1 2 281.319 1.403 40 0 CDABLO COCCc1c[nH+]c2n1CCN(C(=O)c1ccoc1)[C@H]2C ZINC000585097733 342211563 /nfs/dbraw/zinc/21/15/63/342211563.db2.gz NNILDOWRUKQSHN-NSHDSACASA-N 1 2 289.335 1.882 40 0 CDABLO OCCCc1[nH+]c2ccccc2n1C[C@H](O)C(F)(F)F ZINC000158132790 188359719 /nfs/dbraw/zinc/35/97/19/188359719.db2.gz TYBSCHFXYAFCEV-NSHDSACASA-N 1 2 288.269 1.884 40 0 CDABLO C[C@@H]1CCc2n[nH]c(C(=O)N[C@@H]3C[NH+]4CCC3CC4)c2C1 ZINC000012146880 356288835 /nfs/dbraw/zinc/28/88/35/356288835.db2.gz IPZMEBHLTDWGEL-QMTHXVAHSA-N 1 2 288.395 1.359 40 0 CDABLO Cc1noc([C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)n1 ZINC000072364325 357831115 /nfs/dbraw/zinc/83/11/15/357831115.db2.gz ZKVWIROOOBITAP-LLVKDONJSA-N 1 2 259.313 1.860 40 0 CDABLO Cc1cc(N2CCO[C@](C)(c3cc[nH]n3)C2)nc[nH+]1 ZINC000072385520 357832023 /nfs/dbraw/zinc/83/20/23/357832023.db2.gz DVLNWCNTVFHQLY-ZDUSSCGKSA-N 1 2 259.313 1.260 40 0 CDABLO COC(=O)[C@H]1C[C@H](N(C)C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000022013792 284443438 /nfs/dbraw/zinc/44/34/38/284443438.db2.gz CCOAFXUJNHQVBV-NXEZZACHSA-N 1 2 272.345 1.147 40 0 CDABLO Cc1c(C[NH2+]Cc2ccn(C)n2)cnn1CC(F)F ZINC000256053295 190005220 /nfs/dbraw/zinc/00/52/20/190005220.db2.gz QWPKUZLWYGNLJB-UHFFFAOYSA-N 1 2 269.299 1.480 40 0 CDABLO Cc1cc(C(=O)N2CC[C@H](O)[C@@H](n3cc[nH+]c3)CC2)no1 ZINC000257201653 190010575 /nfs/dbraw/zinc/01/05/75/190010575.db2.gz AILIWUIIGURGHV-STQMWFEESA-N 1 2 290.323 1.018 40 0 CDABLO Cc1c[nH]c([C@@H]2CCN(S(=O)(=O)c3ccccc3)C2)[nH+]1 ZINC000257202070 190010783 /nfs/dbraw/zinc/01/07/83/190010783.db2.gz AKIBVZQMFDTXOZ-GFCCVEGCSA-N 1 2 291.376 1.896 40 0 CDABLO Cc1ccn(CCC(=O)N2CCC[C@H]2c2[nH]cc(C)[nH+]2)n1 ZINC000257234666 190016962 /nfs/dbraw/zinc/01/69/62/190016962.db2.gz GUONONPPHSGSIE-ZDUSSCGKSA-N 1 2 287.367 1.977 40 0 CDABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2ccn(C)n2)[nH+]1 ZINC000257274468 190024765 /nfs/dbraw/zinc/02/47/65/190024765.db2.gz NLEACHMPQZRSSH-LLVKDONJSA-N 1 2 259.313 1.429 40 0 CDABLO C[C@]1(O)CC[N@H+](Cc2ncc[nH]2)C[C@@H]1Oc1ccccc1 ZINC000257325118 190034071 /nfs/dbraw/zinc/03/40/71/190034071.db2.gz WRNSGWFCTKQMIA-HOCLYGCPSA-N 1 2 287.363 1.814 40 0 CDABLO C[C@]1(O)CC[N@@H+](Cc2ncc[nH]2)C[C@@H]1Oc1ccccc1 ZINC000257325118 190034072 /nfs/dbraw/zinc/03/40/72/190034072.db2.gz WRNSGWFCTKQMIA-HOCLYGCPSA-N 1 2 287.363 1.814 40 0 CDABLO NC(=O)C[N@@H+]1CCOC[C@@H](Cc2ccccc2Cl)C1 ZINC000257326902 190034747 /nfs/dbraw/zinc/03/47/47/190034747.db2.gz WZBMLDUJWRQWFC-NSHDSACASA-N 1 2 282.771 1.316 40 0 CDABLO NC(=O)C[N@H+]1CCOC[C@@H](Cc2ccccc2Cl)C1 ZINC000257326902 190034748 /nfs/dbraw/zinc/03/47/48/190034748.db2.gz WZBMLDUJWRQWFC-NSHDSACASA-N 1 2 282.771 1.316 40 0 CDABLO c1ccc(N2CCOC[C@H](Cc3cncnc3)C2)[nH+]c1 ZINC000257221379 296615641 /nfs/dbraw/zinc/61/56/41/296615641.db2.gz DOUJGPFDUKENQT-CQSZACIVSA-N 1 2 270.336 1.567 40 0 CDABLO Cc1cc2[nH+]cn([C@@H]3C[C@@H](O)[C@H](CO)O3)c2cc1C ZINC000004824019 170024052 /nfs/dbraw/zinc/02/40/52/170024052.db2.gz HJTIINUBIAXTGQ-RDBSUJKOSA-N 1 2 262.309 1.294 40 0 CDABLO O=C(NCCCn1cc[nH+]c1)[C@@H]1COc2ccccc2O1 ZINC000006315885 170190621 /nfs/dbraw/zinc/19/06/21/170190621.db2.gz AMAIXQLOMORKLR-AWEZNQCLSA-N 1 2 287.319 1.229 40 0 CDABLO Cc1c[nH]nc1[C@@]1(C)CCC[N@@H+](Cc2noc(C)n2)C1 ZINC000072388748 176393951 /nfs/dbraw/zinc/39/39/51/176393951.db2.gz YGDGZOVCWQGIDN-AWEZNQCLSA-N 1 2 275.356 1.963 40 0 CDABLO Cc1c[nH]nc1[C@@]1(C)CCC[N@H+](Cc2noc(C)n2)C1 ZINC000072388748 176393953 /nfs/dbraw/zinc/39/39/53/176393953.db2.gz YGDGZOVCWQGIDN-AWEZNQCLSA-N 1 2 275.356 1.963 40 0 CDABLO COC[C@@H]1Cn2cc[nH+]c2CN(Cc2nccs2)C1 ZINC000096059067 277255486 /nfs/dbraw/zinc/25/54/86/277255486.db2.gz QMLTWEONRMJZRA-NSHDSACASA-N 1 2 278.381 1.618 40 0 CDABLO C[C@H]1CCCC[N@@H+]1c1ccc(-n2cnnc2)cc1C(N)=O ZINC000226279802 278334179 /nfs/dbraw/zinc/33/41/79/278334179.db2.gz UZKLNUUXSWTTDX-NSHDSACASA-N 1 2 285.351 1.745 40 0 CDABLO C[C@H]1CCCC[N@H+]1c1ccc(-n2cnnc2)cc1C(N)=O ZINC000226279802 278334181 /nfs/dbraw/zinc/33/41/81/278334181.db2.gz UZKLNUUXSWTTDX-NSHDSACASA-N 1 2 285.351 1.745 40 0 CDABLO Cc1cccc(O[C@H](C)C(=O)NCC[NH+]2CCOCC2)c1 ZINC000014401479 524779220 /nfs/dbraw/zinc/77/92/20/524779220.db2.gz IRAWQLSRPAPXFU-CQSZACIVSA-N 1 2 292.379 1.211 40 0 CDABLO COCc1n[nH]c([C@H]([NH3+])c2ccc(OC)c(OC)c2)n1 ZINC000095533844 185006808 /nfs/dbraw/zinc/00/68/08/185006808.db2.gz UEPOLWGITMMRMU-GFCCVEGCSA-N 1 2 278.312 1.016 40 0 CDABLO CN(C)C(=O)c1[nH]nc2c1C[N@H+](Cc1ccncc1)CC2 ZINC000096066581 185083699 /nfs/dbraw/zinc/08/36/99/185083699.db2.gz MJGILVUIWWJGOG-UHFFFAOYSA-N 1 2 285.351 1.065 40 0 CDABLO CN(C)C(=O)c1[nH]nc2c1C[N@@H+](Cc1ccncc1)CC2 ZINC000096066581 185083700 /nfs/dbraw/zinc/08/37/00/185083700.db2.gz MJGILVUIWWJGOG-UHFFFAOYSA-N 1 2 285.351 1.065 40 0 CDABLO COCCc1c[nH+]c2n1CCN(C(=O)c1cocn1)[C@@H]2C ZINC000585098655 342211935 /nfs/dbraw/zinc/21/19/35/342211935.db2.gz WDULVSGFJZLGFB-SNVBAGLBSA-N 1 2 290.323 1.277 40 0 CDABLO CCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000065564149 363308570 /nfs/dbraw/zinc/30/85/70/363308570.db2.gz YAVRWEZXLTVKBN-ZDUSSCGKSA-N 1 2 291.395 1.429 40 0 CDABLO Nc1nc(N)c(N)c(Nc2ccc(Br)cc2)[nH+]1 ZINC000000135678 355889980 /nfs/dbraw/zinc/88/99/80/355889980.db2.gz GREGFIAHQBQWGH-UHFFFAOYSA-N 1 2 295.144 1.729 40 0 CDABLO Nc1nc(Nc2ccc(Br)cc2)c(N)c(N)[nH+]1 ZINC000000135678 355889982 /nfs/dbraw/zinc/88/99/82/355889982.db2.gz GREGFIAHQBQWGH-UHFFFAOYSA-N 1 2 295.144 1.729 40 0 CDABLO Cc1ccc(Nc2[nH+]c(N)nc(N)c2N)cc1Cl ZINC000001682465 355946837 /nfs/dbraw/zinc/94/68/37/355946837.db2.gz XHXIFKWMLMWJKB-UHFFFAOYSA-N 1 2 264.720 1.929 40 0 CDABLO Cc1ccc(Nc2nc(N)[nH+]c(N)c2N)cc1Cl ZINC000001682465 355946839 /nfs/dbraw/zinc/94/68/39/355946839.db2.gz XHXIFKWMLMWJKB-UHFFFAOYSA-N 1 2 264.720 1.929 40 0 CDABLO CC(C)(C(N)=O)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000002022546 355958168 /nfs/dbraw/zinc/95/81/68/355958168.db2.gz ZHCWFMBJXAMNHN-UHFFFAOYSA-N 1 2 281.787 1.726 40 0 CDABLO c1c[nH]c(C[N@H+]2C[C@H]3OC[C@@H](COc4ccccc4)[C@H]3C2)n1 ZINC000096217203 358721545 /nfs/dbraw/zinc/72/15/45/358721545.db2.gz CFHAFGSPRXYUOZ-FVQBIDKESA-N 1 2 299.374 1.936 40 0 CDABLO c1c[nH]c(C[N@@H+]2C[C@H]3OC[C@@H](COc4ccccc4)[C@H]3C2)n1 ZINC000096217203 358721546 /nfs/dbraw/zinc/72/15/46/358721546.db2.gz CFHAFGSPRXYUOZ-FVQBIDKESA-N 1 2 299.374 1.936 40 0 CDABLO c1cnn(C[C@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2cccnc2)c1 ZINC000096250250 358726858 /nfs/dbraw/zinc/72/68/58/358726858.db2.gz RSSLSKUBUWNISR-IKGGRYGDSA-N 1 2 298.390 1.958 40 0 CDABLO c1cnn(C[C@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2cccnc2)c1 ZINC000096250250 358726860 /nfs/dbraw/zinc/72/68/60/358726860.db2.gz RSSLSKUBUWNISR-IKGGRYGDSA-N 1 2 298.390 1.958 40 0 CDABLO COc1ccc(OC[C@H](O)CNc2cccc[nH+]2)cc1 ZINC000026781633 364812648 /nfs/dbraw/zinc/81/26/48/364812648.db2.gz IVYACSFVLDBARY-GFCCVEGCSA-N 1 2 274.320 1.942 40 0 CDABLO CC[N@H+](CCS(C)(=O)=O)C[C@H](O)c1ccc(C)cc1 ZINC000076016466 366946009 /nfs/dbraw/zinc/94/60/09/366946009.db2.gz NOUFRWNNJJJBJF-AWEZNQCLSA-N 1 2 285.409 1.395 40 0 CDABLO CC[N@@H+](CCS(C)(=O)=O)C[C@H](O)c1ccc(C)cc1 ZINC000076016466 366946011 /nfs/dbraw/zinc/94/60/11/366946011.db2.gz NOUFRWNNJJJBJF-AWEZNQCLSA-N 1 2 285.409 1.395 40 0 CDABLO O=C(CCn1cc[nH+]c1)NC(=O)NCc1ccccc1 ZINC000049067133 373982231 /nfs/dbraw/zinc/98/22/31/373982231.db2.gz BDIQLZGIJXLMOK-UHFFFAOYSA-N 1 2 272.308 1.299 40 0 CDABLO Cc1nc([C@@H]2COCC[NH2+]2)cc(N2CCC(C)CC2)n1 ZINC000257273436 374421252 /nfs/dbraw/zinc/42/12/52/374421252.db2.gz NGOKSAJOPINLIL-AWEZNQCLSA-N 1 2 276.384 1.682 40 0 CDABLO O=C(NCCOc1ccccc1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000225511705 374626449 /nfs/dbraw/zinc/62/64/49/374626449.db2.gz BPHWTNSSJJDGBP-LBPRGKRZSA-N 1 2 285.347 1.710 40 0 CDABLO O=C(NCCOc1ccccc1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000225511705 374626461 /nfs/dbraw/zinc/62/64/61/374626461.db2.gz BPHWTNSSJJDGBP-LBPRGKRZSA-N 1 2 285.347 1.710 40 0 CDABLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1cccnc1)C2 ZINC000225517945 374647638 /nfs/dbraw/zinc/64/76/38/374647638.db2.gz CJDMZUWCMSVMMK-SNVBAGLBSA-N 1 2 256.309 1.857 40 0 CDABLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1cccnc1)CC2 ZINC000225517945 374647640 /nfs/dbraw/zinc/64/76/40/374647640.db2.gz CJDMZUWCMSVMMK-SNVBAGLBSA-N 1 2 256.309 1.857 40 0 CDABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CC[N@H+](Cc2ccco2)C1 ZINC000257212597 190013129 /nfs/dbraw/zinc/01/31/29/190013129.db2.gz CEDCSSGXZNMTGA-JTQLQIEISA-N 1 2 295.364 1.396 40 0 CDABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CC[N@@H+](Cc2ccco2)C1 ZINC000257212597 190013130 /nfs/dbraw/zinc/01/31/30/190013130.db2.gz CEDCSSGXZNMTGA-JTQLQIEISA-N 1 2 295.364 1.396 40 0 CDABLO CNc1cc([C@H]2CCCN2C(=O)c2ccnn2C)cc[nH+]1 ZINC000257236575 190017902 /nfs/dbraw/zinc/01/79/02/190017902.db2.gz HCUKIXRMNCWNGV-GFCCVEGCSA-N 1 2 285.351 1.834 40 0 CDABLO CCc1[nH+]ccn1CC(=O)N1CC[C@@H](c2[nH]ncc2C)C1 ZINC000257266611 190023046 /nfs/dbraw/zinc/02/30/46/190023046.db2.gz MDSFGPXXEPFYDP-GFCCVEGCSA-N 1 2 287.367 1.493 40 0 CDABLO c1cnc(Nc2nccc([C@H]3CCC[NH2+]C3)n2)nc1 ZINC000257319323 190033486 /nfs/dbraw/zinc/03/34/86/190033486.db2.gz VRWRBIDSICKTIB-JTQLQIEISA-N 1 2 256.313 1.477 40 0 CDABLO CCCn1cc[nH+]c1CN1CCOC[C@H]1c1cc[nH]n1 ZINC000257337944 190036678 /nfs/dbraw/zinc/03/66/78/190036678.db2.gz YVCHXCDXQHSKAX-ZDUSSCGKSA-N 1 2 275.356 1.590 40 0 CDABLO COc1ccc(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)cn1 ZINC000225512799 393091443 /nfs/dbraw/zinc/09/14/43/393091443.db2.gz BVWMUWMCYJZXMJ-SECBINFHSA-N 1 2 272.308 1.557 40 0 CDABLO COc1ccc(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)cn1 ZINC000225512799 393091448 /nfs/dbraw/zinc/09/14/48/393091448.db2.gz BVWMUWMCYJZXMJ-SECBINFHSA-N 1 2 272.308 1.557 40 0 CDABLO CC(=O)N1CC[C@H](Cc2cccc(N3CCOCC3)[nH+]2)C1 ZINC000072366256 134987418 /nfs/dbraw/zinc/98/74/18/134987418.db2.gz WVLLVSXOBJJUDK-CQSZACIVSA-N 1 2 289.379 1.329 40 0 CDABLO C[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CS(=O)(=O)[C@@H]1C ZINC000045027710 175293344 /nfs/dbraw/zinc/29/33/44/175293344.db2.gz CZIHGSQIHZLMGD-DMDPSCGWSA-N 1 2 253.367 1.865 40 0 CDABLO C[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CS(=O)(=O)[C@@H]1C ZINC000045027710 175293345 /nfs/dbraw/zinc/29/33/45/175293345.db2.gz CZIHGSQIHZLMGD-DMDPSCGWSA-N 1 2 253.367 1.865 40 0 CDABLO CCn1nnc2c1[C@H](COC)C[N@H+](Cc1cccnc1)C2 ZINC000096060843 185083130 /nfs/dbraw/zinc/08/31/30/185083130.db2.gz FFYBTOKIFXLRCB-ZDUSSCGKSA-N 1 2 287.367 1.439 40 0 CDABLO CCn1nnc2c1[C@H](COC)C[N@@H+](Cc1cccnc1)C2 ZINC000096060843 185083132 /nfs/dbraw/zinc/08/31/32/185083132.db2.gz FFYBTOKIFXLRCB-ZDUSSCGKSA-N 1 2 287.367 1.439 40 0 CDABLO Cn1ccnc1C[N@@H+]1CC[C@H]2[C@@H]1CC(=O)N2CC1CC1 ZINC000096081291 185091428 /nfs/dbraw/zinc/09/14/28/185091428.db2.gz NDEZZGGSZOCGCU-STQMWFEESA-N 1 2 274.368 1.005 40 0 CDABLO Cn1ccnc1C[N@H+]1CC[C@H]2[C@@H]1CC(=O)N2CC1CC1 ZINC000096081291 185091430 /nfs/dbraw/zinc/09/14/30/185091430.db2.gz NDEZZGGSZOCGCU-STQMWFEESA-N 1 2 274.368 1.005 40 0 CDABLO CNc1nccnc1[C@H]1CCCN1c1cc(C)[nH+]cn1 ZINC000072385508 357831949 /nfs/dbraw/zinc/83/19/49/357831949.db2.gz CYMUFXNSWJRURD-LLVKDONJSA-N 1 2 270.340 1.958 40 0 CDABLO CCNC(=O)[C@H]1c2c(ncn2C(C)C)CC[N@H+]1CC1CC1 ZINC000096147239 358709175 /nfs/dbraw/zinc/70/91/75/358709175.db2.gz LCAXUMQTJMYHMR-OAHLLOKOSA-N 1 2 290.411 1.909 40 0 CDABLO CCNC(=O)[C@H]1c2c(ncn2C(C)C)CC[N@@H+]1CC1CC1 ZINC000096147239 358709179 /nfs/dbraw/zinc/70/91/79/358709179.db2.gz LCAXUMQTJMYHMR-OAHLLOKOSA-N 1 2 290.411 1.909 40 0 CDABLO COC[C@H]1Cn2nccc2C[N@H+](Cc2nccs2)C1 ZINC000096188889 358715362 /nfs/dbraw/zinc/71/53/62/358715362.db2.gz BJKFICUOLDMVFB-LLVKDONJSA-N 1 2 278.381 1.618 40 0 CDABLO COC[C@H]1Cn2nccc2C[N@@H+](Cc2nccs2)C1 ZINC000096188889 358715367 /nfs/dbraw/zinc/71/53/67/358715367.db2.gz BJKFICUOLDMVFB-LLVKDONJSA-N 1 2 278.381 1.618 40 0 CDABLO CCOC[C@@H]1Cn2c[nH+]cc2CN(C(=O)C2CC=CC2)C1 ZINC000096207101 358720205 /nfs/dbraw/zinc/72/02/05/358720205.db2.gz JBSKQDOFJQGXLJ-ZDUSSCGKSA-N 1 2 289.379 1.844 40 0 CDABLO CCN(C)C(=O)[C@H]1c2c(ncn2C)CC[N@@H+]1C(C)C ZINC000096264932 358730307 /nfs/dbraw/zinc/73/03/07/358730307.db2.gz FVQYHFLUBYULOR-CYBMUJFWSA-N 1 2 264.373 1.206 40 0 CDABLO CCN(C)C(=O)[C@H]1c2c(ncn2C)CC[N@H+]1C(C)C ZINC000096264932 358730308 /nfs/dbraw/zinc/73/03/08/358730308.db2.gz FVQYHFLUBYULOR-CYBMUJFWSA-N 1 2 264.373 1.206 40 0 CDABLO CC(=O)N1CCC[C@]2(C1)C[N@H+](Cc1ccccn1)CCO2 ZINC000096268739 358730951 /nfs/dbraw/zinc/73/09/51/358730951.db2.gz GFUHFTVHOIRBJE-MRXNPFEDSA-N 1 2 289.379 1.295 40 0 CDABLO CC(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1ccccn1)CCO2 ZINC000096268739 358730954 /nfs/dbraw/zinc/73/09/54/358730954.db2.gz GFUHFTVHOIRBJE-MRXNPFEDSA-N 1 2 289.379 1.295 40 0 CDABLO CC[N@H+](CCCNS(C)(=O)=O)c1cccc(C)c1 ZINC000255189620 374265573 /nfs/dbraw/zinc/26/55/73/374265573.db2.gz RDBZZDFIEZIIKE-UHFFFAOYSA-N 1 2 270.398 1.761 40 0 CDABLO CC[N@@H+](CCCNS(C)(=O)=O)c1cccc(C)c1 ZINC000255189620 374265578 /nfs/dbraw/zinc/26/55/78/374265578.db2.gz RDBZZDFIEZIIKE-UHFFFAOYSA-N 1 2 270.398 1.761 40 0 CDABLO CCOC1CC(CNc2ccccn2)([NH+]2CCOCC2)C1 ZINC000225519144 374652106 /nfs/dbraw/zinc/65/21/06/374652106.db2.gz NEQNZHGIHOIUAO-UHFFFAOYSA-N 1 2 291.395 1.763 40 0 CDABLO Cc1cc(C[NH2+]Cc2cc(C(F)(F)F)n(C)n2)n(C)n1 ZINC000256054541 190005432 /nfs/dbraw/zinc/00/54/32/190005432.db2.gz WSWAUVXOOHJVJF-UHFFFAOYSA-N 1 2 287.289 1.771 40 0 CDABLO Cc1ccnc([C@@H]2CCN(c3cc[nH+]c(C)n3)C2)n1 ZINC000257226650 190015406 /nfs/dbraw/zinc/01/54/06/190015406.db2.gz FLOMNCUTLGYLCI-GFCCVEGCSA-N 1 2 255.325 1.877 40 0 CDABLO CCCNC(=O)c1cc(C)nc([C@@H]2CCC[N@@H+]2C)n1 ZINC000257230397 190016313 /nfs/dbraw/zinc/01/63/13/190016313.db2.gz GCDRLQDHPVPBNH-LBPRGKRZSA-N 1 2 262.357 1.692 40 0 CDABLO CCCNC(=O)c1cc(C)nc([C@@H]2CCC[N@H+]2C)n1 ZINC000257230397 190016314 /nfs/dbraw/zinc/01/63/14/190016314.db2.gz GCDRLQDHPVPBNH-LBPRGKRZSA-N 1 2 262.357 1.692 40 0 CDABLO Cc1cn[nH]c1[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000257238624 190017927 /nfs/dbraw/zinc/01/79/27/190017927.db2.gz HLVPVYOHWJOYMK-LBPRGKRZSA-N 1 2 273.340 1.239 40 0 CDABLO Nc1cccc([C@@H]2C[N@H+](Cc3ccncc3)CCO2)n1 ZINC000257254500 190021014 /nfs/dbraw/zinc/02/10/14/190021014.db2.gz KDIGGDPGMCSKJL-AWEZNQCLSA-N 1 2 270.336 1.632 40 0 CDABLO Nc1cccc([C@@H]2C[N@@H+](Cc3ccncc3)CCO2)n1 ZINC000257254500 190021015 /nfs/dbraw/zinc/02/10/15/190021015.db2.gz KDIGGDPGMCSKJL-AWEZNQCLSA-N 1 2 270.336 1.632 40 0 CDABLO Cn1ccnc1C[N@@H+]1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 ZINC000257286144 190026794 /nfs/dbraw/zinc/02/67/94/190026794.db2.gz PKLVHCZBKOYLFJ-ZIAGYGMSSA-N 1 2 291.326 1.183 40 0 CDABLO Cn1ccnc1C[N@H+]1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 ZINC000257286144 190026795 /nfs/dbraw/zinc/02/67/95/190026795.db2.gz PKLVHCZBKOYLFJ-ZIAGYGMSSA-N 1 2 291.326 1.183 40 0 CDABLO Cn1cc[nH+]c1CN1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 ZINC000257286144 190026796 /nfs/dbraw/zinc/02/67/96/190026796.db2.gz PKLVHCZBKOYLFJ-ZIAGYGMSSA-N 1 2 291.326 1.183 40 0 CDABLO Cc1c[nH]c([C@@H]2CCCN(S(=O)(=O)N3CCCC3)C2)[nH+]1 ZINC000257303707 190030606 /nfs/dbraw/zinc/03/06/06/190030606.db2.gz SIJPIGSMJYOBER-GFCCVEGCSA-N 1 2 298.412 1.238 40 0 CDABLO Cc1c[nH]c([C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)n1 ZINC000257333669 190035785 /nfs/dbraw/zinc/03/57/85/190035785.db2.gz YCOINRRECLFECI-LBPRGKRZSA-N 1 2 273.340 1.321 40 0 CDABLO CN(Cc1ccccc1)c1nc[nH+]c2c1NC(=O)CN2 ZINC000041121368 379334966 /nfs/dbraw/zinc/33/49/66/379334966.db2.gz KZCIPCZXHOLYRQ-UHFFFAOYSA-N 1 2 269.308 1.477 40 0 CDABLO CN(Cc1ccccc1)c1[nH+]cnc2c1NC(=O)CN2 ZINC000041121368 379334976 /nfs/dbraw/zinc/33/49/76/379334976.db2.gz KZCIPCZXHOLYRQ-UHFFFAOYSA-N 1 2 269.308 1.477 40 0 CDABLO COCCNc1[nH+]cnc2c1cnn2-c1ccccn1 ZINC000041531894 379392048 /nfs/dbraw/zinc/39/20/48/379392048.db2.gz DRUSVBKYGDNGKJ-UHFFFAOYSA-N 1 2 270.296 1.269 40 0 CDABLO Cc1noc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)n1 ZINC000289322245 197296411 /nfs/dbraw/zinc/29/64/11/197296411.db2.gz CMKVOLZXDOBFJK-ZFWWWQNUSA-N 1 2 272.352 1.913 40 0 CDABLO CCS(=O)(=O)N1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000169814070 391833045 /nfs/dbraw/zinc/83/30/45/391833045.db2.gz LGFJLMITGPLNLP-CYBMUJFWSA-N 1 2 268.382 1.325 40 0 CDABLO CCS(=O)(=O)N1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000169814070 391833049 /nfs/dbraw/zinc/83/30/49/391833049.db2.gz LGFJLMITGPLNLP-CYBMUJFWSA-N 1 2 268.382 1.325 40 0 CDABLO OC[C@H]1CCn2cncc2C[N@@H+]1Cc1cccnc1 ZINC000585097412 342211582 /nfs/dbraw/zinc/21/15/82/342211582.db2.gz LKPUOOZGLQOLMA-CYBMUJFWSA-N 1 2 258.325 1.045 40 0 CDABLO OC[C@H]1CCn2cncc2C[N@H+]1Cc1cccnc1 ZINC000585097412 342211583 /nfs/dbraw/zinc/21/15/83/342211583.db2.gz LKPUOOZGLQOLMA-CYBMUJFWSA-N 1 2 258.325 1.045 40 0 CDABLO COC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)c1ccoc1 ZINC000585095011 342211377 /nfs/dbraw/zinc/21/13/77/342211377.db2.gz ZPSOGPAZHGDYMR-LLVKDONJSA-N 1 2 275.308 1.227 40 0 CDABLO Cc1ccc(C[N@@H+]2Cc3ccnn3CC[C@H]2CO)o1 ZINC000585096998 342211843 /nfs/dbraw/zinc/21/18/43/342211843.db2.gz GMUIWFQMZXWRCQ-ZDUSSCGKSA-N 1 2 261.325 1.551 40 0 CDABLO Cc1ccc(C[N@H+]2Cc3ccnn3CC[C@H]2CO)o1 ZINC000585096998 342211844 /nfs/dbraw/zinc/21/18/44/342211844.db2.gz GMUIWFQMZXWRCQ-ZDUSSCGKSA-N 1 2 261.325 1.551 40 0 CDABLO OC[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000070453129 361970640 /nfs/dbraw/zinc/97/06/40/361970640.db2.gz HIOTXWRERMMWHT-LBPRGKRZSA-N 1 2 291.269 1.951 40 0 CDABLO Cc1nnc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)s1 ZINC000329778019 362050302 /nfs/dbraw/zinc/05/03/02/362050302.db2.gz KWILUXBHTPGJKL-UHFFFAOYSA-N 1 2 277.353 1.589 40 0 CDABLO Cc1nnc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)s1 ZINC000329778019 362050314 /nfs/dbraw/zinc/05/03/14/362050314.db2.gz KWILUXBHTPGJKL-UHFFFAOYSA-N 1 2 277.353 1.589 40 0 CDABLO CC(=O)N1CC[C@@H](Cc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000072366259 357831414 /nfs/dbraw/zinc/83/14/14/357831414.db2.gz YAIIXLWPIQGKJU-HNNXBMFYSA-N 1 2 289.379 1.329 40 0 CDABLO Cc1cc(N2CCC[C@H](Cc3ccc(N)nn3)C2)nc[nH+]1 ZINC000072387321 357832329 /nfs/dbraw/zinc/83/23/29/357832329.db2.gz RVEJYDQLENTEOH-GFCCVEGCSA-N 1 2 284.367 1.616 40 0 CDABLO CC(C)CC[N@@H+]1CCn2c(C(=O)N3CCCC3)cnc2C1 ZINC000096198676 358717568 /nfs/dbraw/zinc/71/75/68/358717568.db2.gz IXHXCPNDXAWXDD-UHFFFAOYSA-N 1 2 290.411 1.981 40 0 CDABLO CC(C)CC[N@H+]1CCn2c(C(=O)N3CCCC3)cnc2C1 ZINC000096198676 358717570 /nfs/dbraw/zinc/71/75/70/358717570.db2.gz IXHXCPNDXAWXDD-UHFFFAOYSA-N 1 2 290.411 1.981 40 0 CDABLO CC(C)C[C@@H]1COCCN1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000073042473 359427241 /nfs/dbraw/zinc/42/72/41/359427241.db2.gz UDLNYCFUTXWKFX-UONOGXRCSA-N 1 2 294.399 1.728 40 0 CDABLO C[C@@]12CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]1CC[C@@H](O)C2 ZINC000257200648 190010852 /nfs/dbraw/zinc/01/08/52/190010852.db2.gz AEFPQBLMZQCIPE-FMKPAKJESA-N 1 2 291.395 1.815 40 0 CDABLO Cc1ccnc([C@H]2C[N@H+](CC3(O)CCCCC3)CCO2)n1 ZINC000257214172 190013505 /nfs/dbraw/zinc/01/35/05/190013505.db2.gz CKWYEMHWBHGTFQ-CQSZACIVSA-N 1 2 291.395 1.854 40 0 CDABLO Cc1ccnc([C@H]2C[N@@H+](CC3(O)CCCCC3)CCO2)n1 ZINC000257214172 190013506 /nfs/dbraw/zinc/01/35/06/190013506.db2.gz CKWYEMHWBHGTFQ-CQSZACIVSA-N 1 2 291.395 1.854 40 0 CDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cnc(C)cn2)[nH+]1 ZINC000257224105 190015124 /nfs/dbraw/zinc/01/51/24/190015124.db2.gz FAIIJAWHUHHASY-LBPRGKRZSA-N 1 2 287.323 1.030 40 0 CDABLO C[C@]1(O)C[N@H+](Cc2ncc[nH]2)CC[C@@H]1Oc1ccccc1 ZINC000257240585 190018624 /nfs/dbraw/zinc/01/86/24/190018624.db2.gz HUFNLYBJQUOSTB-HOCLYGCPSA-N 1 2 287.363 1.814 40 0 CDABLO C[C@]1(O)C[N@@H+](Cc2ncc[nH]2)CC[C@@H]1Oc1ccccc1 ZINC000257240585 190018625 /nfs/dbraw/zinc/01/86/25/190018625.db2.gz HUFNLYBJQUOSTB-HOCLYGCPSA-N 1 2 287.363 1.814 40 0 CDABLO C[C@]1(O)CN(Cc2[nH]cc[nH+]2)CC[C@@H]1Oc1ccccc1 ZINC000257240585 190018626 /nfs/dbraw/zinc/01/86/26/190018626.db2.gz HUFNLYBJQUOSTB-HOCLYGCPSA-N 1 2 287.363 1.814 40 0 CDABLO NC(=O)C[N@@H+]1CCC[C@H]1c1ccnc(Nc2ncccn2)c1 ZINC000257276151 190025069 /nfs/dbraw/zinc/02/50/69/190025069.db2.gz NSNMHQQGRGVLLR-LBPRGKRZSA-N 1 2 298.350 1.237 40 0 CDABLO NC(=O)C[N@H+]1CCC[C@H]1c1ccnc(Nc2ncccn2)c1 ZINC000257276151 190025070 /nfs/dbraw/zinc/02/50/70/190025070.db2.gz NSNMHQQGRGVLLR-LBPRGKRZSA-N 1 2 298.350 1.237 40 0 CDABLO Cc1cc(N)nc([C@@]2(C)CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000257301304 190030557 /nfs/dbraw/zinc/03/05/57/190030557.db2.gz RXWQQALLMISXND-CQSZACIVSA-N 1 2 272.356 1.602 40 0 CDABLO COc1ccc(-c2c[nH]c([C@@H]3COCC[NH2+]3)n2)cc1 ZINC000067898782 377288228 /nfs/dbraw/zinc/28/82/28/377288228.db2.gz GAMNQXMHRLISBK-ZDUSSCGKSA-N 1 2 259.309 1.746 40 0 biogenic,in-vitro CDABLO c1nn(-c2ccccn2)c2nc[nH+]c(N3CCCC3)c12 ZINC000041529270 379392513 /nfs/dbraw/zinc/39/25/13/379392513.db2.gz PRJKVVCMKDOMBX-UHFFFAOYSA-N 1 2 266.308 1.811 40 0 CDABLO CC(=O)N1CC[N@H+](C)[C@@H](c2cccc(C(=O)N(C)C)c2)C1 ZINC000072366533 390628278 /nfs/dbraw/zinc/62/82/78/390628278.db2.gz SVEPSGVHMAOHIX-OAHLLOKOSA-N 1 2 289.379 1.223 40 0 CDABLO CC(=O)N1CC[N@@H+](C)[C@@H](c2cccc(C(=O)N(C)C)c2)C1 ZINC000072366533 390628281 /nfs/dbraw/zinc/62/82/81/390628281.db2.gz SVEPSGVHMAOHIX-OAHLLOKOSA-N 1 2 289.379 1.223 40 0 CDABLO O=S(=O)(NCCc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC000006161208 170179893 /nfs/dbraw/zinc/17/98/93/170179893.db2.gz XQTBHDJGZPXLJF-UHFFFAOYSA-N 1 2 285.756 1.584 40 0 CDABLO O=S(=O)(NCCc1c[nH]c[nH+]1)c1ccc(Cl)cc1 ZINC000006161208 170179894 /nfs/dbraw/zinc/17/98/94/170179894.db2.gz XQTBHDJGZPXLJF-UHFFFAOYSA-N 1 2 285.756 1.584 40 0 CDABLO CN(C)c1cc(N2CCC[C@@H]2c2cc[nH]n2)nc[nH+]1 ZINC000072388673 176393442 /nfs/dbraw/zinc/39/34/42/176393442.db2.gz SEUAPQZVZFFVKS-LLVKDONJSA-N 1 2 258.329 1.607 40 0 CDABLO CN(C)c1cc(N2CCC[C@@H]2c2cc[nH]n2)[nH+]cn1 ZINC000072388673 176393444 /nfs/dbraw/zinc/39/34/44/176393444.db2.gz SEUAPQZVZFFVKS-LLVKDONJSA-N 1 2 258.329 1.607 40 0 CDABLO CCN(CC)c1nc2[nH]nc(N)c2c2c1C[N@H+](C)CC2 ZINC000005398228 279170072 /nfs/dbraw/zinc/17/00/72/279170072.db2.gz CUQDUGXAOLVZFQ-UHFFFAOYSA-N 1 2 274.372 1.374 40 0 CDABLO CCN(CC)c1nc2[nH]nc(N)c2c2c1C[N@@H+](C)CC2 ZINC000005398228 279170073 /nfs/dbraw/zinc/17/00/73/279170073.db2.gz CUQDUGXAOLVZFQ-UHFFFAOYSA-N 1 2 274.372 1.374 40 0 CDABLO Cc1ccnc(N2CC[NH+](C)CC2)c1Br ZINC000095097390 292773351 /nfs/dbraw/zinc/77/33/51/292773351.db2.gz KNOMUXRKWRRWGS-UHFFFAOYSA-N 1 2 270.174 1.904 40 0 CDABLO COc1cccc([C@@H]([NH3+])c2nc([C@H]3CCCO3)n[nH]2)c1 ZINC000095533597 185005780 /nfs/dbraw/zinc/00/57/80/185005780.db2.gz NOBHMLUMYPDDEK-VXGBXAGGSA-N 1 2 274.324 1.713 40 0 CDABLO COC[C@H]1C[N@H+](Cc2ccoc2)Cc2cnn(C)c21 ZINC000096060004 185080611 /nfs/dbraw/zinc/08/06/11/185080611.db2.gz HOGGPJXSGMIRHM-CYBMUJFWSA-N 1 2 261.325 1.759 40 0 CDABLO COC[C@H]1C[N@@H+](Cc2ccoc2)Cc2cnn(C)c21 ZINC000096060004 185080613 /nfs/dbraw/zinc/08/06/13/185080613.db2.gz HOGGPJXSGMIRHM-CYBMUJFWSA-N 1 2 261.325 1.759 40 0 CDABLO COC[C@@H]1C[N@H+](Cc2cccs2)Cc2nnn(C)c21 ZINC000096060595 185081422 /nfs/dbraw/zinc/08/14/22/185081422.db2.gz DXHAGNLVPUXCAN-JTQLQIEISA-N 1 2 278.381 1.622 40 0 CDABLO COC[C@@H]1C[N@@H+](Cc2cccs2)Cc2nnn(C)c21 ZINC000096060595 185081423 /nfs/dbraw/zinc/08/14/23/185081423.db2.gz DXHAGNLVPUXCAN-JTQLQIEISA-N 1 2 278.381 1.622 40 0 CDABLO C[N@H+]1Cc2ccnn2[C@H](CCNC(=O)c2ccsc2)C1 ZINC000585111958 342213491 /nfs/dbraw/zinc/21/34/91/342213491.db2.gz FTBXEZUNZQNBHZ-GFCCVEGCSA-N 1 2 290.392 1.751 40 0 CDABLO C[N@@H+]1Cc2ccnn2[C@H](CCNC(=O)c2ccsc2)C1 ZINC000585111958 342213492 /nfs/dbraw/zinc/21/34/92/342213492.db2.gz FTBXEZUNZQNBHZ-GFCCVEGCSA-N 1 2 290.392 1.751 40 0 CDABLO COCCCNC(=S)N1CC[NH+](Cc2ccco2)CC1 ZINC000004216701 363211638 /nfs/dbraw/zinc/21/16/38/363211638.db2.gz HKZZMSXJDSGSBF-UHFFFAOYSA-N 1 2 297.424 1.308 40 0 CDABLO Cc1ccnc([C@@H]2COCCN2c2cc(C)[nH+]cn2)n1 ZINC000072385575 357832101 /nfs/dbraw/zinc/83/21/01/357832101.db2.gz MMFLCWGZWWQNBB-LBPRGKRZSA-N 1 2 271.324 1.461 40 0 CDABLO CCC(=O)N1CCN(CCn2cccn2)c2[nH+]cccc2C1 ZINC000096198993 358717120 /nfs/dbraw/zinc/71/71/20/358717120.db2.gz WDNUJBNUHFFABO-UHFFFAOYSA-N 1 2 299.378 1.537 40 0 CDABLO COC[C@H]1CC[C@H]2[C@H]1OCCN2Cc1[nH+]ccn1C ZINC000096249899 358726797 /nfs/dbraw/zinc/72/67/97/358726797.db2.gz DFFLXUVPRMMCFY-DYEKYZERSA-N 1 2 265.357 1.046 40 0 CDABLO Cn1c2ccccc2[nH+]c1CCNc1[nH+]cnc2[n-]ncc21 ZINC000041121163 359684127 /nfs/dbraw/zinc/68/41/27/359684127.db2.gz GHUUNZHTFFBXHB-UHFFFAOYSA-N 1 2 293.334 1.894 40 0 CDABLO Cn1c2ccccc2[nH+]c1CCNc1ncnc2n[nH]cc21 ZINC000041121163 359684130 /nfs/dbraw/zinc/68/41/30/359684130.db2.gz GHUUNZHTFFBXHB-UHFFFAOYSA-N 1 2 293.334 1.894 40 0 CDABLO COCC[N@H+](Cc1cccc(Cl)n1)[C@H](C)C(N)=O ZINC000075717713 359974976 /nfs/dbraw/zinc/97/49/76/359974976.db2.gz GOZPPGKSYQENBW-SECBINFHSA-N 1 2 271.748 1.057 40 0 CDABLO COCC[N@@H+](Cc1cccc(Cl)n1)[C@H](C)C(N)=O ZINC000075717713 359974982 /nfs/dbraw/zinc/97/49/82/359974982.db2.gz GOZPPGKSYQENBW-SECBINFHSA-N 1 2 271.748 1.057 40 0 CDABLO O=C(NCCn1cc[nH+]c1)N[C@@H]1CCCCC[C@H]1CO ZINC000130869952 361013448 /nfs/dbraw/zinc/01/34/48/361013448.db2.gz HYUDDKZIVRSONV-QWHCGFSZSA-N 1 2 280.372 1.124 40 0 CDABLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N(CCO)Cc1ccccc1 ZINC000225508399 374580863 /nfs/dbraw/zinc/58/08/63/374580863.db2.gz HVEAUNBEEFAFLY-AWEZNQCLSA-N 1 2 299.374 1.536 40 0 CDABLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N(CCO)Cc1ccccc1 ZINC000225508399 374580871 /nfs/dbraw/zinc/58/08/71/374580871.db2.gz HVEAUNBEEFAFLY-AWEZNQCLSA-N 1 2 299.374 1.536 40 0 CDABLO Cc1ccncc1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000225512319 374628821 /nfs/dbraw/zinc/62/88/21/374628821.db2.gz NBALRIHVKPXJBH-SNVBAGLBSA-N 1 2 256.309 1.857 40 0 CDABLO Cc1ccncc1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000225512319 374628826 /nfs/dbraw/zinc/62/88/26/374628826.db2.gz NBALRIHVKPXJBH-SNVBAGLBSA-N 1 2 256.309 1.857 40 0 CDABLO Nc1cncnc1[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000306128438 374968485 /nfs/dbraw/zinc/96/84/85/374968485.db2.gz HAJOGZNEFHADMT-AWEZNQCLSA-N 1 2 270.336 1.632 40 0 CDABLO Nc1cncnc1[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000306128438 374968489 /nfs/dbraw/zinc/96/84/89/374968489.db2.gz HAJOGZNEFHADMT-AWEZNQCLSA-N 1 2 270.336 1.632 40 0 CDABLO CC(=O)N1CC[C@@H](c2n[nH]cc2-c2cc[nH+]c(N)c2)C1 ZINC000257234264 190017244 /nfs/dbraw/zinc/01/72/44/190017244.db2.gz GSVDUZSHINURBE-LLVKDONJSA-N 1 2 271.324 1.390 40 0 CDABLO CC(=O)NCc1cc([C@H]2CCC[N@@H+]2Cc2c[nH]cn2)ccn1 ZINC000257242313 190018811 /nfs/dbraw/zinc/01/88/11/190018811.db2.gz IBWUGKFNSMRFLD-MRXNPFEDSA-N 1 2 299.378 1.778 40 0 CDABLO CC(=O)NCc1cc([C@H]2CCC[N@H+]2Cc2c[nH]cn2)ccn1 ZINC000257242313 190018812 /nfs/dbraw/zinc/01/88/12/190018812.db2.gz IBWUGKFNSMRFLD-MRXNPFEDSA-N 1 2 299.378 1.778 40 0 CDABLO CC(=O)NCc1cc([C@H]2CCC[N@@H+]2Cc2cnc[nH]2)ccn1 ZINC000257242313 190018813 /nfs/dbraw/zinc/01/88/13/190018813.db2.gz IBWUGKFNSMRFLD-MRXNPFEDSA-N 1 2 299.378 1.778 40 0 CDABLO CC(=O)NCc1cc([C@H]2CCC[N@H+]2Cc2cnc[nH]2)ccn1 ZINC000257242313 190018814 /nfs/dbraw/zinc/01/88/14/190018814.db2.gz IBWUGKFNSMRFLD-MRXNPFEDSA-N 1 2 299.378 1.778 40 0 CDABLO CNc1cc([C@H]2CCCN2C(=O)Cn2cc(C)cn2)cc[nH+]1 ZINC000257303649 190030747 /nfs/dbraw/zinc/03/07/47/190030747.db2.gz SIBJZHFNUXZPGQ-CQSZACIVSA-N 1 2 299.378 1.992 40 0 CDABLO [NH3+]C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000242718365 376020703 /nfs/dbraw/zinc/02/07/03/376020703.db2.gz XLMNZJVXHODAOE-ZYHUDNBSSA-N 1 2 268.744 1.746 40 0 CDABLO [NH3+]C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000242718365 376020717 /nfs/dbraw/zinc/02/07/17/376020717.db2.gz XLMNZJVXHODAOE-ZYHUDNBSSA-N 1 2 268.744 1.746 40 0 CDABLO COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H]1c1c[nH+]c[nH]1 ZINC000242688621 376063458 /nfs/dbraw/zinc/06/34/58/376063458.db2.gz VUYIUYOXVUMQSM-SDBXPKJASA-N 1 2 281.312 1.334 40 0 CDABLO COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H]1c1c[nH]c[nH+]1 ZINC000242688621 376063461 /nfs/dbraw/zinc/06/34/61/376063461.db2.gz VUYIUYOXVUMQSM-SDBXPKJASA-N 1 2 281.312 1.334 40 0 CDABLO Cc1noc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)n1 ZINC000289322239 197296313 /nfs/dbraw/zinc/29/63/13/197296313.db2.gz CMKVOLZXDOBFJK-DZGCQCFKSA-N 1 2 272.352 1.913 40 0 CDABLO C[NH+](C)/C=C/c1nnnn1-c1ccc(Br)cc1 ZINC000055112163 390488242 /nfs/dbraw/zinc/48/82/42/390488242.db2.gz VBTXQBLCCBZNKF-BQYQJAHWSA-N 1 2 294.156 1.957 40 0 CDABLO O[C@H](c1ccccc1)c1ccc(N2CCOCC2)[nH+]c1 ZINC000072225492 390623126 /nfs/dbraw/zinc/62/31/26/390623126.db2.gz CEVMFQKLAMRGNO-MRXNPFEDSA-N 1 2 270.332 2.000 40 0 CDABLO CCN(CO)c1[nH+]cnc2c1cnn2-c1ccc(C)cc1 ZINC000028406092 171558097 /nfs/dbraw/zinc/55/80/97/171558097.db2.gz GYUAFBIDWKKKDK-UHFFFAOYSA-N 1 2 283.335 1.900 40 0 CDABLO CCCCN(Cc1[nH+]ccn1C)[C@@H]1CCS(=O)(=O)C1 ZINC000071089347 176031091 /nfs/dbraw/zinc/03/10/91/176031091.db2.gz NUZJSTIFJZCBGX-GFCCVEGCSA-N 1 2 285.413 1.209 40 0 CDABLO CN1CCN(C(=O)c2ccco2)Cc2ccc[nH+]c21 ZINC000096060910 277099240 /nfs/dbraw/zinc/09/92/40/277099240.db2.gz XJVUALUBNCRNQA-UHFFFAOYSA-N 1 2 257.293 1.767 40 0 CDABLO [NH3+]C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000242718363 295244035 /nfs/dbraw/zinc/24/40/35/295244035.db2.gz XLMNZJVXHODAOE-PWSUYJOCSA-N 1 2 268.744 1.746 40 0 CDABLO [NH3+]C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000242718363 295244036 /nfs/dbraw/zinc/24/40/36/295244036.db2.gz XLMNZJVXHODAOE-PWSUYJOCSA-N 1 2 268.744 1.746 40 0 CDABLO Cc1cc(C[NH+]2CCC3(CC2)OCCC[C@@H]3O)no1 ZINC000257206903 301272396 /nfs/dbraw/zinc/27/23/96/301272396.db2.gz BFJSQBRLGOHPPN-ZDUSSCGKSA-N 1 2 266.341 1.489 40 0 CDABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@H](C(=O)N(C)C)O[C@H]3C2)no1 ZINC000096043167 185070258 /nfs/dbraw/zinc/07/02/58/185070258.db2.gz SLHSSJHBLOOXJE-YUTCNCBUSA-N 1 2 293.367 1.051 40 0 CDABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@H](C(=O)N(C)C)O[C@H]3C2)no1 ZINC000096043167 185070260 /nfs/dbraw/zinc/07/02/60/185070260.db2.gz SLHSSJHBLOOXJE-YUTCNCBUSA-N 1 2 293.367 1.051 40 0 CDABLO C[NH+](C)Cc1n[nH]c2c1CCN(C(=O)C1CC=CC1)C2 ZINC000096084096 185091838 /nfs/dbraw/zinc/09/18/38/185091838.db2.gz YCLQTJJJCRLBDP-UHFFFAOYSA-N 1 2 274.368 1.322 40 0 CDABLO COC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)[C@@H]1CCCS1 ZINC000585094767 342211391 /nfs/dbraw/zinc/21/13/91/342211391.db2.gz LSKSSWXAFGRMNP-GWCFXTLKSA-N 1 2 295.408 1.215 40 0 CDABLO CCC[N@@H+]1CCc2oc(C(=O)N3CC[C@@H](OC)C3)nc2C1 ZINC000585112936 342213652 /nfs/dbraw/zinc/21/36/52/342213652.db2.gz WZAWHHSYKNDWCZ-LLVKDONJSA-N 1 2 293.367 1.304 40 0 CDABLO CCC[N@H+]1CCc2oc(C(=O)N3CC[C@@H](OC)C3)nc2C1 ZINC000585112936 342213653 /nfs/dbraw/zinc/21/36/53/342213653.db2.gz WZAWHHSYKNDWCZ-LLVKDONJSA-N 1 2 293.367 1.304 40 0 CDABLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000075893547 293101948 /nfs/dbraw/zinc/10/19/48/293101948.db2.gz NXTRUMQQBFCORP-DTORHVGOSA-N 1 2 282.413 1.791 40 0 CDABLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000075893547 293101953 /nfs/dbraw/zinc/10/19/53/293101953.db2.gz NXTRUMQQBFCORP-DTORHVGOSA-N 1 2 282.413 1.791 40 0 CDABLO Cc1cn(C)c([C@@H]2CCCN(S(=O)(=O)C(C)C)C2)[nH+]1 ZINC000585181397 342232706 /nfs/dbraw/zinc/23/27/06/342232706.db2.gz JFXFTKJIAXEOOJ-GFCCVEGCSA-N 1 2 285.413 1.646 40 0 CDABLO CC1(C)C[C@@H]2CN(C(=O)C=Cc3c[nH]c[nH+]3)CC[C@@H]2O1 ZINC000585290525 342258928 /nfs/dbraw/zinc/25/89/28/342258928.db2.gz FESSGFCKYXIZQF-WTQORWENSA-N 1 2 275.352 1.839 40 0 CDABLO Cc1cc(NC(=O)N[C@H]2C[C@H](C)n3ccnc32)cc[nH+]1 ZINC000333553816 363028242 /nfs/dbraw/zinc/02/82/42/363028242.db2.gz VADCMLNOKNONIB-JQWIXIFHSA-N 1 2 271.324 1.836 40 0 CDABLO C[C@@]1(CNC(=O)c2ccc(-n3cc[nH+]c3)nc2)CCCO1 ZINC000153173756 188068880 /nfs/dbraw/zinc/06/88/80/188068880.db2.gz SUDAGOBMKWJOBJ-HNNXBMFYSA-N 1 2 286.335 1.566 40 0 CDABLO CCc1c(C)[nH]n2cn[n+](Cc3ccc(C)cc3)c2c1=O ZINC000408731144 356135325 /nfs/dbraw/zinc/13/53/25/356135325.db2.gz XYVLGXGUAMGCCG-UHFFFAOYSA-O 1 2 283.355 1.538 40 0 CDABLO CCn1c(=O)c2ccccc2nc1C[N@@H+]1CCC[C@H](O)C1 ZINC000012146474 356289170 /nfs/dbraw/zinc/28/91/70/356289170.db2.gz YFISLKLMRBHVSC-LBPRGKRZSA-N 1 2 287.363 1.373 40 0 CDABLO CCn1c(=O)c2ccccc2nc1C[N@H+]1CCC[C@H](O)C1 ZINC000012146474 356289177 /nfs/dbraw/zinc/28/91/77/356289177.db2.gz YFISLKLMRBHVSC-LBPRGKRZSA-N 1 2 287.363 1.373 40 0 CDABLO C[C@H]([C@H](C(=O)[O-])[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000019366265 356482760 /nfs/dbraw/zinc/48/27/60/356482760.db2.gz TYOYGBAMBMYYDQ-CHWSQXEVSA-N 1 2 254.374 1.800 40 0 CDABLO C[C@H]([C@@H](C(=O)[O-])[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000019366263 356483286 /nfs/dbraw/zinc/48/32/86/356483286.db2.gz TYOYGBAMBMYYDQ-OLZOCXBDSA-N 1 2 254.374 1.800 40 0 CDABLO CCOC(=O)[C@@H]([NH3+])[C@@H](C(=O)OCC)c1ccccc1 ZINC000019203238 356476266 /nfs/dbraw/zinc/47/62/66/356476266.db2.gz QWIQBXQJIIQFIB-RYUDHWBXSA-N 1 2 265.309 1.224 40 0 CDABLO O=C(c1cccc(Cl)c1)N1CC[NH+](CCO)CC1 ZINC000019597506 356493133 /nfs/dbraw/zinc/49/31/33/356493133.db2.gz HSSSNVKRAQSQFH-UHFFFAOYSA-N 1 2 268.744 1.090 40 0 CDABLO Cc1cccc(C(=O)N2CCN(C)c3[nH+]cccc3C2)n1 ZINC000096060916 358707499 /nfs/dbraw/zinc/70/74/99/358707499.db2.gz XGUHYQXAPZWDIG-UHFFFAOYSA-N 1 2 282.347 1.877 40 0 CDABLO COCCN1CCN(c2ccc(C)nn2)Cc2ccc[nH+]c21 ZINC000096198855 358717332 /nfs/dbraw/zinc/71/73/32/358717332.db2.gz ONBSSUWWBSRFOR-UHFFFAOYSA-N 1 2 299.378 1.653 40 0 CDABLO CC(C)NC(=O)[C@H]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]1O2 ZINC000096252862 358727596 /nfs/dbraw/zinc/72/75/96/358727596.db2.gz PBCLRPBPVKZCAG-QLFBSQMISA-N 1 2 289.379 1.196 40 0 CDABLO CC(C)NC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]1O2 ZINC000096252862 358727601 /nfs/dbraw/zinc/72/76/01/358727601.db2.gz PBCLRPBPVKZCAG-QLFBSQMISA-N 1 2 289.379 1.196 40 0 CDABLO CNC(=S)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000225221582 189745416 /nfs/dbraw/zinc/74/54/16/189745416.db2.gz DVNZKNVWDQVKCC-UHFFFAOYSA-N 1 2 265.382 1.014 40 0 CDABLO CC(=O)N1C[C@@H]2CN(C(=O)C(C)(C)C)CC[N@@H+]2C(C)(C)C1 ZINC000253400129 373687593 /nfs/dbraw/zinc/68/75/93/373687593.db2.gz KSORLXHVKZQRPO-ZDUSSCGKSA-N 1 2 295.427 1.186 40 0 biogenic,in-vitro CDABLO CC(=O)N1C[C@@H]2CN(C(=O)C(C)(C)C)CC[N@H+]2C(C)(C)C1 ZINC000253400129 373687599 /nfs/dbraw/zinc/68/75/99/373687599.db2.gz KSORLXHVKZQRPO-ZDUSSCGKSA-N 1 2 295.427 1.186 40 0 biogenic,in-vitro CDABLO CC(C)NC(=O)[C@H](C)[NH+]1CCN(Cc2ccc[nH]2)CC1 ZINC000225413227 374325418 /nfs/dbraw/zinc/32/54/18/374325418.db2.gz VHPGKHTYVQOUKW-ZDUSSCGKSA-N 1 2 278.400 1.045 40 0 CDABLO CC(C)NC(=O)[C@H](C)N1CC[NH+](Cc2ccc[nH]2)CC1 ZINC000225413227 374325427 /nfs/dbraw/zinc/32/54/27/374325427.db2.gz VHPGKHTYVQOUKW-ZDUSSCGKSA-N 1 2 278.400 1.045 40 0 CDABLO Nc1[nH+]cnc(N[C@H]2CCN(CC(F)(F)F)C2)c1Cl ZINC000225477544 374484054 /nfs/dbraw/zinc/48/40/54/374484054.db2.gz ICILFZWQYIWUDX-LURJTMIESA-N 1 2 295.696 1.761 40 0 CDABLO CN1CCC[N@H+](Cc2cc(F)cc(F)c2)CC1=O ZINC000225528643 375159323 /nfs/dbraw/zinc/15/93/23/375159323.db2.gz CQMOEUSVBJKVRF-UHFFFAOYSA-N 1 2 254.280 1.629 40 0 CDABLO CN1CCC[N@@H+](Cc2cc(F)cc(F)c2)CC1=O ZINC000225528643 375159326 /nfs/dbraw/zinc/15/93/26/375159326.db2.gz CQMOEUSVBJKVRF-UHFFFAOYSA-N 1 2 254.280 1.629 40 0 CDABLO Cc1cc([C@H]2CN(C(=O)Cn3cc[nH+]c3)CCO2)ccn1 ZINC000257234210 190016974 /nfs/dbraw/zinc/01/69/74/190016974.db2.gz GSOSRUQYSBZKLT-CQSZACIVSA-N 1 2 286.335 1.187 40 0 CDABLO O[C@@H]1C[N@H+](Cc2c[nH]cn2)C[C@H]1Oc1ccccc1 ZINC000257267124 190022911 /nfs/dbraw/zinc/02/29/11/190022911.db2.gz MGAZDXJUWNFGQL-ZIAGYGMSSA-N 1 2 259.309 1.034 40 0 CDABLO O[C@@H]1C[N@@H+](Cc2c[nH]cn2)C[C@H]1Oc1ccccc1 ZINC000257267124 190022912 /nfs/dbraw/zinc/02/29/12/190022912.db2.gz MGAZDXJUWNFGQL-ZIAGYGMSSA-N 1 2 259.309 1.034 40 0 CDABLO CO[C@@H]1C[C@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]2C1 ZINC000257344716 190037534 /nfs/dbraw/zinc/03/75/34/190037534.db2.gz ZYKDMVDTKSDPTB-WDNDVIMCSA-N 1 2 277.368 1.547 40 0 CDABLO CC(C)[NH+]1CSC(=S)NCCNC(=S)SC1 ZINC000018213442 390225443 /nfs/dbraw/zinc/22/54/43/390225443.db2.gz WDUPVNNXNIHECX-UHFFFAOYSA-N 1 2 295.524 1.841 40 0 CDABLO Cc1cc([C@H]2CCCN2C=O)c[nH+]c1N1CCOCC1 ZINC000072219328 390623191 /nfs/dbraw/zinc/62/31/91/390623191.db2.gz FRRVJANTVGMSQA-CQSZACIVSA-N 1 2 275.352 1.520 40 0 CDABLO Cc1[nH+]c2n(c1C)CCN(C(=O)N[C@H]1CSC1(C)C)C2 ZINC000374955572 160329081 /nfs/dbraw/zinc/32/90/81/160329081.db2.gz ZEKMHDMUQKGBGM-NSHDSACASA-N 1 2 294.424 1.919 40 0 CDABLO Cc1cc2[nH+]cn([C@@H]3C[C@H](O)[C@H](CO)O3)c2cc1C ZINC000004824015 170023940 /nfs/dbraw/zinc/02/39/40/170023940.db2.gz HJTIINUBIAXTGQ-IHRRRGAJSA-N 1 2 262.309 1.294 40 0 CDABLO CNc1cc([C@H]2CCN(c3cc(C)ncn3)C2)[nH+]c(C)n1 ZINC000072364157 176379067 /nfs/dbraw/zinc/37/90/67/176379067.db2.gz MNUOAPIHARUHKC-LBPRGKRZSA-N 1 2 284.367 1.919 40 0 CDABLO COC[C@H]1C[N@H+](Cc2ccccn2)Cc2cn(C)nc21 ZINC000096059815 277267779 /nfs/dbraw/zinc/26/77/79/277267779.db2.gz XFCZRINGXKTPIA-CYBMUJFWSA-N 1 2 272.352 1.561 40 0 CDABLO COC[C@H]1C[N@@H+](Cc2ccccn2)Cc2cn(C)nc21 ZINC000096059815 277267780 /nfs/dbraw/zinc/26/77/80/277267780.db2.gz XFCZRINGXKTPIA-CYBMUJFWSA-N 1 2 272.352 1.561 40 0 CDABLO COC[C@@H]1Cn2cc[nH+]c2CN(C(=O)c2ccoc2)C1 ZINC000096059083 277581181 /nfs/dbraw/zinc/58/11/81/277581181.db2.gz HZCZGZCRYMSSKC-LLVKDONJSA-N 1 2 275.308 1.395 40 0 CDABLO Cc1cn[nH]c1[C@@H]1COCC[N@@H+]1C1CCOCC1 ZINC000257250294 302329684 /nfs/dbraw/zinc/32/96/84/302329684.db2.gz JLXVSDLDBMJCBO-LBPRGKRZSA-N 1 2 251.330 1.270 40 0 CDABLO Cc1cn[nH]c1[C@@H]1COCC[N@H+]1C1CCOCC1 ZINC000257250294 302329687 /nfs/dbraw/zinc/32/96/87/302329687.db2.gz JLXVSDLDBMJCBO-LBPRGKRZSA-N 1 2 251.330 1.270 40 0 CDABLO Cc1c[nH]nc1[C@@H]1COCC[N@@H+]1C1CCOCC1 ZINC000257250294 302329677 /nfs/dbraw/zinc/32/96/77/302329677.db2.gz JLXVSDLDBMJCBO-LBPRGKRZSA-N 1 2 251.330 1.270 40 0 CDABLO Cc1c[nH]nc1[C@@H]1COCC[N@H+]1C1CCOCC1 ZINC000257250294 302329681 /nfs/dbraw/zinc/32/96/81/302329681.db2.gz JLXVSDLDBMJCBO-LBPRGKRZSA-N 1 2 251.330 1.270 40 0 CDABLO [NH3+][C@H](c1nc([C@H]2CCCO2)n[nH]1)c1ccc(F)cc1 ZINC000095533330 185005836 /nfs/dbraw/zinc/00/58/36/185005836.db2.gz APYLDUCPNTXDOW-MNOVXSKESA-N 1 2 262.288 1.843 40 0 CDABLO COC[C@@H]1CN(Cc2ccco2)Cc2[nH+]cn(C)c21 ZINC000096060178 185080319 /nfs/dbraw/zinc/08/03/19/185080319.db2.gz VHPOWVLTZUYLPC-NSHDSACASA-N 1 2 261.325 1.759 40 0 CDABLO COC[C@@H]1C[N@H+](Cc2ccco2)Cc2ncn(C)c21 ZINC000096060178 185080320 /nfs/dbraw/zinc/08/03/20/185080320.db2.gz VHPOWVLTZUYLPC-NSHDSACASA-N 1 2 261.325 1.759 40 0 CDABLO COC[C@@H]1C[N@@H+](Cc2ccco2)Cc2ncn(C)c21 ZINC000096060178 185080322 /nfs/dbraw/zinc/08/03/22/185080322.db2.gz VHPOWVLTZUYLPC-NSHDSACASA-N 1 2 261.325 1.759 40 0 CDABLO Cn1c[nH+]c2c1C[C@@H](COc1ccccn1)N(C)C2 ZINC000585094540 342211285 /nfs/dbraw/zinc/21/12/85/342211285.db2.gz AMKFBPKVSQYTGI-NSHDSACASA-N 1 2 258.325 1.251 40 0 CDABLO Cn1cnc2c1C[C@@H](COc1ccccn1)[N@H+](C)C2 ZINC000585094540 342211286 /nfs/dbraw/zinc/21/12/86/342211286.db2.gz AMKFBPKVSQYTGI-NSHDSACASA-N 1 2 258.325 1.251 40 0 CDABLO Cn1cnc2c1C[C@@H](COc1ccccn1)[N@@H+](C)C2 ZINC000585094540 342211287 /nfs/dbraw/zinc/21/12/87/342211287.db2.gz AMKFBPKVSQYTGI-NSHDSACASA-N 1 2 258.325 1.251 40 0 CDABLO Cn1cnc2c1C[C@@H](COCc1ccncc1)[N@H+](C)C2 ZINC000585094928 342211414 /nfs/dbraw/zinc/21/14/14/342211414.db2.gz USCZFIOCBSUWSD-ZDUSSCGKSA-N 1 2 272.352 1.388 40 0 CDABLO Cn1cnc2c1C[C@@H](COCc1ccncc1)[N@@H+](C)C2 ZINC000585094928 342211415 /nfs/dbraw/zinc/21/14/15/342211415.db2.gz USCZFIOCBSUWSD-ZDUSSCGKSA-N 1 2 272.352 1.388 40 0 CDABLO Cn1c[nH+]c2c1C[C@@H](COCc1ccncc1)N(C)C2 ZINC000585094928 342211416 /nfs/dbraw/zinc/21/14/16/342211416.db2.gz USCZFIOCBSUWSD-ZDUSSCGKSA-N 1 2 272.352 1.388 40 0 CDABLO CNc1nccnc1[C@@H]1CN(c2cc[nH+]c(C)n2)CCO1 ZINC000257328930 362587128 /nfs/dbraw/zinc/58/71/28/362587128.db2.gz XHQUAXLTGGCBOC-NSHDSACASA-N 1 2 286.339 1.195 40 0 CDABLO Cn1ccnc1C[N@@H+]1CC[C@@H]2[C@H]1CC(=O)N2CC1CC1 ZINC000107800125 186191837 /nfs/dbraw/zinc/19/18/37/186191837.db2.gz NDEZZGGSZOCGCU-CHWSQXEVSA-N 1 2 274.368 1.005 40 0 CDABLO Cn1ccnc1C[N@H+]1CC[C@@H]2[C@H]1CC(=O)N2CC1CC1 ZINC000107800125 186191838 /nfs/dbraw/zinc/19/18/38/186191838.db2.gz NDEZZGGSZOCGCU-CHWSQXEVSA-N 1 2 274.368 1.005 40 0 CDABLO CC(C)(C)Nc1nc(NN)[nH+]c(NCc2ccccc2)n1 ZINC000000328099 355904459 /nfs/dbraw/zinc/90/44/59/355904459.db2.gz SYONAJPCUKRRJJ-UHFFFAOYSA-N 1 2 287.371 1.980 40 0 CDABLO CC(C)(C)Nc1nc(NCc2ccccc2)nc(NN)[nH+]1 ZINC000000328099 355904462 /nfs/dbraw/zinc/90/44/62/355904462.db2.gz SYONAJPCUKRRJJ-UHFFFAOYSA-N 1 2 287.371 1.980 40 0 CDABLO Cn1cc[nH+]c1CNC(=O)CCn1ncc2ccccc21 ZINC000019291508 356479884 /nfs/dbraw/zinc/47/98/84/356479884.db2.gz QSGNBICXNYJDRS-UHFFFAOYSA-N 1 2 283.335 1.476 40 0 CDABLO Nc1[nH+]cnc(NCCOC[C@@H]2CCCO2)c1Cl ZINC000225479214 374484631 /nfs/dbraw/zinc/48/46/31/374484631.db2.gz RGNUMGWDNWQXDP-QMMMGPOBSA-N 1 2 272.736 1.320 40 0 CDABLO Nc1nc[nH+]c(NCCOC[C@@H]2CCCO2)c1Cl ZINC000225479214 374484636 /nfs/dbraw/zinc/48/46/36/374484636.db2.gz RGNUMGWDNWQXDP-QMMMGPOBSA-N 1 2 272.736 1.320 40 0 CDABLO COc1ccc(CCNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000225509701 374581186 /nfs/dbraw/zinc/58/11/86/374581186.db2.gz PUEOCQOZBPJIHZ-CYBMUJFWSA-N 1 2 299.374 1.882 40 0 CDABLO COc1ccc(CCNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000225509701 374581191 /nfs/dbraw/zinc/58/11/91/374581191.db2.gz PUEOCQOZBPJIHZ-CYBMUJFWSA-N 1 2 299.374 1.882 40 0 CDABLO Cc1nn(C)c(F)c1C[NH2+]Cc1ccn(CCF)n1 ZINC000256049900 190003355 /nfs/dbraw/zinc/00/33/55/190003355.db2.gz BXNBJFFGCSVSKN-UHFFFAOYSA-N 1 2 269.299 1.323 40 0 CDABLO O=C(CCCn1cc[nH+]c1)N1CCC[C@@H](c2ccncn2)C1 ZINC000257229019 190016216 /nfs/dbraw/zinc/01/62/16/190016216.db2.gz FWGTXQYQXCTNBE-CQSZACIVSA-N 1 2 299.378 1.860 40 0 CDABLO O=C(CCn1cc[nH+]c1)N1CCC[C@@H]1c1cnccn1 ZINC000257234563 190016630 /nfs/dbraw/zinc/01/66/30/190016630.db2.gz GUDHWRFPBPQBBW-CYBMUJFWSA-N 1 2 271.324 1.427 40 0 CDABLO Cc1c[nH]c([C@@H]2C[N@H+](Cc3c(C)nn(C)c3C)CCO2)n1 ZINC000257253629 190020622 /nfs/dbraw/zinc/02/06/22/190020622.db2.gz JZQYDEMVJNKGKJ-AWEZNQCLSA-N 1 2 289.383 1.642 40 0 CDABLO Cc1c[nH]c([C@@H]2C[N@@H+](Cc3c(C)nn(C)c3C)CCO2)n1 ZINC000257253629 190020623 /nfs/dbraw/zinc/02/06/23/190020623.db2.gz JZQYDEMVJNKGKJ-AWEZNQCLSA-N 1 2 289.383 1.642 40 0 CDABLO CC(=O)N1CCN(Cc2c[nH+]c[nH]2)[C@@H](c2ccccc2)C1 ZINC000257256112 190021255 /nfs/dbraw/zinc/02/12/55/190021255.db2.gz KKDMAESWSVMCTF-MRXNPFEDSA-N 1 2 284.363 1.815 40 0 CDABLO CC(=O)N1CCN(Cc2c[nH]c[nH+]2)[C@@H](c2ccccc2)C1 ZINC000257256112 190021256 /nfs/dbraw/zinc/02/12/56/190021256.db2.gz KKDMAESWSVMCTF-MRXNPFEDSA-N 1 2 284.363 1.815 40 0 CDABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3cncs3)C2)[nH+]1 ZINC000257282076 190026160 /nfs/dbraw/zinc/02/61/60/190026160.db2.gz OSGGIZIRFRWWIX-SECBINFHSA-N 1 2 262.338 1.804 40 0 CDABLO Cc1c[nH]c([C@H]2CCCN2C(=O)C2CCOCC2)[nH+]1 ZINC000257294953 190028686 /nfs/dbraw/zinc/02/86/86/190028686.db2.gz QWKIXOKWXAZRSO-GFCCVEGCSA-N 1 2 263.341 1.808 40 0 CDABLO Cc1c[nH]c([C@H]2CCCN(S(=O)(=O)N3CCCC3)C2)[nH+]1 ZINC000257303708 190030358 /nfs/dbraw/zinc/03/03/58/190030358.db2.gz SIJPIGSMJYOBER-LBPRGKRZSA-N 1 2 298.412 1.238 40 0 CDABLO Cc1nccc([C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000257308825 190031079 /nfs/dbraw/zinc/03/10/79/190031079.db2.gz TYGRNMYWIZXJJN-LBPRGKRZSA-N 1 2 257.341 1.888 40 0 CDABLO Cc1nccc([C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000257308825 190031080 /nfs/dbraw/zinc/03/10/80/190031080.db2.gz TYGRNMYWIZXJJN-LBPRGKRZSA-N 1 2 257.341 1.888 40 0 CDABLO CS(=O)(=O)N1CCC[C@H](c2cccc3[nH+]ccn32)C1 ZINC000257325156 190034310 /nfs/dbraw/zinc/03/43/10/190034310.db2.gz WRRWTRIALGBCSA-NSHDSACASA-N 1 2 279.365 1.473 40 0 CDABLO Cc1cc(C[C@H]2COCC[N@H+](Cc3c[nH]cn3)C2)ncn1 ZINC000257341749 190037126 /nfs/dbraw/zinc/03/71/26/190037126.db2.gz ZLVCGYCYUCQPNX-CYBMUJFWSA-N 1 2 287.367 1.199 40 0 CDABLO Cc1cc(C[C@H]2COCC[N@@H+](Cc3c[nH]cn3)C2)ncn1 ZINC000257341749 190037127 /nfs/dbraw/zinc/03/71/27/190037127.db2.gz ZLVCGYCYUCQPNX-CYBMUJFWSA-N 1 2 287.367 1.199 40 0 CDABLO Cc1cc(C[C@H]2COCC[N@H+](Cc3cnc[nH]3)C2)ncn1 ZINC000257341749 190037128 /nfs/dbraw/zinc/03/71/28/190037128.db2.gz ZLVCGYCYUCQPNX-CYBMUJFWSA-N 1 2 287.367 1.199 40 0 CDABLO Cc1cc(C[C@H]2COCC[N@@H+](Cc3cnc[nH]3)C2)ncn1 ZINC000257341749 190037129 /nfs/dbraw/zinc/03/71/29/190037129.db2.gz ZLVCGYCYUCQPNX-CYBMUJFWSA-N 1 2 287.367 1.199 40 0 CDABLO Cc1noc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)n1 ZINC000289322243 197296943 /nfs/dbraw/zinc/29/69/43/197296943.db2.gz CMKVOLZXDOBFJK-UKRRQHHQSA-N 1 2 272.352 1.913 40 0 CDABLO COC[C@@H]1CN(C(=O)N(C)C)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060302 390912370 /nfs/dbraw/zinc/91/23/70/390912370.db2.gz BOHURVLSIUBPQO-LBPRGKRZSA-N 1 2 292.383 1.520 40 0 CDABLO C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCOCC1 ZINC000043304552 175002935 /nfs/dbraw/zinc/00/29/35/175002935.db2.gz YAPFBXGHZCAUBE-GFCCVEGCSA-N 1 2 254.374 1.498 40 0 CDABLO CNc1cncc([C@@H]2CCCN2c2cc(C)[nH+]cn2)n1 ZINC000072385507 176390002 /nfs/dbraw/zinc/39/00/02/176390002.db2.gz UISDDGMZLAZDBR-LBPRGKRZSA-N 1 2 270.340 1.958 40 0 CDABLO CN1OC2(CN(Cc3ccc(-n4cc[nH+]c4)cc3)C2)CC1=O ZINC001549167459 968051951 /nfs/dbraw/zinc/05/19/51/968051951.db2.gz OVTKRBTVVXMPIQ-UHFFFAOYSA-N 1 2 298.346 1.220 40 0 CDABLO [NH3+][C@H](c1nnc(-c2ccncc2)[nH]1)c1ccccc1 ZINC000095533376 185005771 /nfs/dbraw/zinc/00/57/71/185005771.db2.gz HKFWLNQIJQQJDH-LBPRGKRZSA-N 1 2 251.293 1.915 40 0 CDABLO [NH3+][C@H](c1n[nH]c(-c2ccncc2)n1)c1ccccc1 ZINC000095533376 185005772 /nfs/dbraw/zinc/00/57/72/185005772.db2.gz HKFWLNQIJQQJDH-LBPRGKRZSA-N 1 2 251.293 1.915 40 0 CDABLO CCOc1ccc(-c2n[nH]c([C@@H](C)[NH3+])n2)cc1OC ZINC000095534690 185006071 /nfs/dbraw/zinc/00/60/71/185006071.db2.gz FJTCAMXUQQWKAG-MRVPVSSYSA-N 1 2 262.313 1.899 40 0 CDABLO [NH3+][C@H](c1nnc(Cn2cccn2)[nH]1)c1ccc(Cl)cc1 ZINC000095533983 185007356 /nfs/dbraw/zinc/00/73/56/185007356.db2.gz OPGRSSIDJJUONS-LBPRGKRZSA-N 1 2 288.742 1.751 40 0 CDABLO COC[C@H](C)NC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000072595207 342556467 /nfs/dbraw/zinc/55/64/67/342556467.db2.gz FAXKSMSPMHEGDN-ZDUSSCGKSA-N 1 2 292.379 1.284 40 0 CDABLO COC[C@H]1C[N@H+](Cc2ccc(C)s2)Cc2nnn(C)c21 ZINC000096060607 185080662 /nfs/dbraw/zinc/08/06/62/185080662.db2.gz IEDNZVRQEFZOCR-LLVKDONJSA-N 1 2 292.408 1.931 40 0 CDABLO COC[C@H]1C[N@@H+](Cc2ccc(C)s2)Cc2nnn(C)c21 ZINC000096060607 185080665 /nfs/dbraw/zinc/08/06/65/185080665.db2.gz IEDNZVRQEFZOCR-LLVKDONJSA-N 1 2 292.408 1.931 40 0 CDABLO O[C@H]1C[N@H+](Cc2ncc[nH]2)CC[C@@H]1Cc1ccc(F)cc1 ZINC000585276922 342256313 /nfs/dbraw/zinc/25/63/13/342256313.db2.gz DWESVXFMPILTLN-HIFRSBDPSA-N 1 2 289.354 1.974 40 0 CDABLO O[C@H]1C[N@@H+](Cc2ncc[nH]2)CC[C@@H]1Cc1ccc(F)cc1 ZINC000585276922 342256314 /nfs/dbraw/zinc/25/63/14/342256314.db2.gz DWESVXFMPILTLN-HIFRSBDPSA-N 1 2 289.354 1.974 40 0 CDABLO COCC(=O)N(C)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257310199 362585531 /nfs/dbraw/zinc/58/55/31/362585531.db2.gz UECCEQKIVJRXSE-LBPRGKRZSA-N 1 2 263.341 1.155 40 0 CDABLO Cn1c[nH+]c2c1[C@H](COCC1CC1)CN(c1ncccn1)C2 ZINC000096044904 136518355 /nfs/dbraw/zinc/51/83/55/136518355.db2.gz WWBGUZLKDUOACB-ZDUSSCGKSA-N 1 2 299.378 1.741 40 0 CDABLO C[C@H]1CCC[C@@H](OCC(=O)NCc2[nH+]ccn2C)C1 ZINC000079034466 363359618 /nfs/dbraw/zinc/35/96/18/363359618.db2.gz KCNPVBIVJRIWMU-NWDGAFQWSA-N 1 2 265.357 1.632 40 0 CDABLO S=C(NC1CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000013769498 356357757 /nfs/dbraw/zinc/35/77/57/356357757.db2.gz RIQWLKHXVWGIPJ-UHFFFAOYSA-N 1 2 265.382 1.434 40 0 CDABLO O=C(c1ccco1)N1CCO[C@H](Cn2cc[nH+]c2)C1 ZINC000019342150 356480761 /nfs/dbraw/zinc/48/07/61/356480761.db2.gz NHPMZYLDGHKYSS-LLVKDONJSA-N 1 2 261.281 1.017 40 0 CDABLO Cc1nc(C)c(C(=O)NCCNc2cccc[nH+]2)s1 ZINC000019560306 356491657 /nfs/dbraw/zinc/49/16/57/356491657.db2.gz CYTSUMPLXJQAPV-UHFFFAOYSA-N 1 2 276.365 1.997 40 0 CDABLO C[NH+](C)[C@@H]1[C@H](c2ccccc2)S(=O)(=O)C1(C)C ZINC000031717082 356768674 /nfs/dbraw/zinc/76/86/74/356768674.db2.gz YSNZOYXZGPHAOW-NWDGAFQWSA-N 1 2 253.367 1.865 40 0 CDABLO Nc1ccc(C[C@@H]2CCCN(c3cccc[nH+]3)C2)nn1 ZINC000072387268 357832198 /nfs/dbraw/zinc/83/21/98/357832198.db2.gz ZHAXJSWOAWZZSB-LBPRGKRZSA-N 1 2 269.352 1.913 40 0 CDABLO CCCC(=O)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC000096196969 358716346 /nfs/dbraw/zinc/71/63/46/358716346.db2.gz YYSBPGVBMXLNSC-UHFFFAOYSA-N 1 2 287.367 1.313 40 0 CDABLO Cn1nc(Cn2cc[nH+]c2)c2c1CN(C(=O)c1ccoc1)C2 ZINC000096259106 358728828 /nfs/dbraw/zinc/72/88/28/358728828.db2.gz NFHYEWBYKOGIAN-UHFFFAOYSA-N 1 2 297.318 1.414 40 0 CDABLO O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000333380616 205272318 /nfs/dbraw/zinc/27/23/18/205272318.db2.gz BCHUXALUUFKZDD-RHYQMDGZSA-N 1 2 259.353 1.819 40 0 CDABLO O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000333380616 205272320 /nfs/dbraw/zinc/27/23/20/205272320.db2.gz BCHUXALUUFKZDD-RHYQMDGZSA-N 1 2 259.353 1.819 40 0 CDABLO Nc1cncnc1[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000306128439 374967671 /nfs/dbraw/zinc/96/76/71/374967671.db2.gz HAJOGZNEFHADMT-CQSZACIVSA-N 1 2 270.336 1.632 40 0 CDABLO Nc1cncnc1[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000306128439 374967679 /nfs/dbraw/zinc/96/76/79/374967679.db2.gz HAJOGZNEFHADMT-CQSZACIVSA-N 1 2 270.336 1.632 40 0 CDABLO CCn1ccc(C[NH2+]Cc2ccn(CC(F)(F)F)n2)n1 ZINC000256052714 190004224 /nfs/dbraw/zinc/00/42/24/190004224.db2.gz OJCGWSNIYCAXLR-UHFFFAOYSA-N 1 2 287.289 1.952 40 0 CDABLO CCn1ccc(C[NH2+]Cc2ccn(CCF)n2)n1 ZINC000256053225 190004432 /nfs/dbraw/zinc/00/44/32/190004432.db2.gz QOHZETDPKNDNSB-UHFFFAOYSA-N 1 2 251.309 1.359 40 0 CDABLO CN(C)c1cc([C@H]2CCCN2S(=O)(=O)N(C)C)cc[nH+]1 ZINC000257204025 190011534 /nfs/dbraw/zinc/01/15/34/190011534.db2.gz ASSYXFSJKYYIAV-GFCCVEGCSA-N 1 2 298.412 1.091 40 0 CDABLO Cc1cc(N2CCC[C@H]2c2cccc(C(N)=O)n2)nc[nH+]1 ZINC000257238138 190018117 /nfs/dbraw/zinc/01/81/17/190018117.db2.gz HJTXBMQDQIFUAG-ZDUSSCGKSA-N 1 2 283.335 1.620 40 0 CDABLO Cn1nccc1CCC(=O)N1CCCC[C@H]2C[NH2+]CC[C@H]21 ZINC000257324176 190034155 /nfs/dbraw/zinc/03/41/55/190034155.db2.gz WNNREDJPZJZAQA-DZGCQCFKSA-N 1 2 290.411 1.343 40 0 CDABLO CCN1C(=O)C(C)(C)[NH2+][C@]1(C)Cc1ccc(O)cc1 ZINC000333907437 285154198 /nfs/dbraw/zinc/15/41/98/285154198.db2.gz DAWYQVOIUIKBPW-HNNXBMFYSA-N 1 2 262.353 1.881 40 0 CDABLO Nc1nc(N)[nH+]c(Cc2ccccc2Br)n1 ZINC000005898479 170152033 /nfs/dbraw/zinc/15/20/33/170152033.db2.gz UZEOUOFXAUGESO-UHFFFAOYSA-N 1 2 280.129 1.389 40 0 CDABLO Nc1ccc(NC(=O)C[NH+]2CCCC2)c(Cl)c1 ZINC000008732425 170351490 /nfs/dbraw/zinc/35/14/90/170351490.db2.gz CMWDQNFGPFGDMA-UHFFFAOYSA-N 1 2 253.733 1.957 40 0 CDABLO Cc1ccccc1O[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000038772645 174154708 /nfs/dbraw/zinc/15/47/08/174154708.db2.gz SQFAZASMUYMDCH-CQSZACIVSA-N 1 2 292.379 1.211 40 0 CDABLO Cc1ccc(O[C@H](C)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000046463422 175396821 /nfs/dbraw/zinc/39/68/21/175396821.db2.gz HKPMBHHRTNMIOB-CYBMUJFWSA-N 1 2 262.353 1.536 40 0 CDABLO O=C(C[N@@H+](Cc1ccno1)C[C@H]1CCCO1)N1CCCC1 ZINC000072828996 260164379 /nfs/dbraw/zinc/16/43/79/260164379.db2.gz CLZWAVLLYYOYDS-CYBMUJFWSA-N 1 2 293.367 1.278 40 0 CDABLO O=C(C[N@H+](Cc1ccno1)C[C@H]1CCCO1)N1CCCC1 ZINC000072828996 260164380 /nfs/dbraw/zinc/16/43/80/260164380.db2.gz CLZWAVLLYYOYDS-CYBMUJFWSA-N 1 2 293.367 1.278 40 0 CDABLO Cn1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3c2cccc[nH+]2)cn1 ZINC000097953294 230388381 /nfs/dbraw/zinc/38/83/81/230388381.db2.gz QRVXBEAAVNEKCD-KBPBESRZSA-N 1 2 297.362 1.309 40 0 CDABLO COC[C@H]1CN(Cc2ccccn2)Cc2[nH+]cn(C)c21 ZINC000096060193 185081370 /nfs/dbraw/zinc/08/13/70/185081370.db2.gz NHQSOQFMTCLKCX-GFCCVEGCSA-N 1 2 272.352 1.561 40 0 CDABLO COC[C@H]1C[N@H+](Cc2ccccn2)Cc2ncn(C)c21 ZINC000096060193 185081371 /nfs/dbraw/zinc/08/13/71/185081371.db2.gz NHQSOQFMTCLKCX-GFCCVEGCSA-N 1 2 272.352 1.561 40 0 CDABLO COC[C@H]1C[N@@H+](Cc2ccccn2)Cc2ncn(C)c21 ZINC000096060193 185081372 /nfs/dbraw/zinc/08/13/72/185081372.db2.gz NHQSOQFMTCLKCX-GFCCVEGCSA-N 1 2 272.352 1.561 40 0 CDABLO COCCC(=O)N1CC[C@@H](c2[nH+]c(C)cn2C)C1 ZINC000205705164 348744076 /nfs/dbraw/zinc/74/40/76/348744076.db2.gz SIEHTLSLSZLHLL-LLVKDONJSA-N 1 2 251.330 1.081 40 0 CDABLO Cn1cc(C[N@@H+]2CCO[C@H]3[C@@H](OCC4CC4)CC[C@@H]32)cn1 ZINC000107716522 186188097 /nfs/dbraw/zinc/18/80/97/186188097.db2.gz AEFALYDWQYEZRU-HRCADAONSA-N 1 2 291.395 1.579 40 0 CDABLO Cn1cc(C[N@H+]2CCO[C@H]3[C@@H](OCC4CC4)CC[C@@H]32)cn1 ZINC000107716522 186188098 /nfs/dbraw/zinc/18/80/98/186188098.db2.gz AEFALYDWQYEZRU-HRCADAONSA-N 1 2 291.395 1.579 40 0 CDABLO Cc1cc(N[C@@H]2CCC(=O)N(C)C2)nc(-c2cccnc2)[nH+]1 ZINC000150877937 363020977 /nfs/dbraw/zinc/02/09/77/363020977.db2.gz IOFHBBRYVHCAGT-CYBMUJFWSA-N 1 2 297.362 1.880 40 0 CDABLO O=C(C=C(O)c1ccccc1)O[C@H]1C[NH+]2CCC1CC2 ZINC000003954157 356014119 /nfs/dbraw/zinc/01/41/19/356014119.db2.gz IIAUBPLJCDXVKI-HNNXBMFYSA-N 1 2 273.332 1.897 40 0 in-vitro CDABLO Cc1nonc1C(=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000019558905 356491421 /nfs/dbraw/zinc/49/14/21/356491421.db2.gz HEDZSLGHQSXINT-UHFFFAOYSA-N 1 2 283.291 1.875 40 0 CDABLO Cn1cc[nH+]c1CNC(=O)CCc1nc2ccccc2n1C ZINC000019291507 356479429 /nfs/dbraw/zinc/47/94/29/356479429.db2.gz KRKBTMWSBNGMKJ-UHFFFAOYSA-N 1 2 297.362 1.556 40 0 CDABLO CNc1nccnc1[C@@H]1CCCN1c1cc(C)[nH+]cn1 ZINC000072385509 357832072 /nfs/dbraw/zinc/83/20/72/357832072.db2.gz CYMUFXNSWJRURD-NSHDSACASA-N 1 2 270.340 1.958 40 0 CDABLO CC[C@H](C)[N@H+]1Cc2c(n(C)nc2C(=O)N2CCOCC2)C1 ZINC000096187556 358715480 /nfs/dbraw/zinc/71/54/80/358715480.db2.gz GMOFJRFKXISOSS-NSHDSACASA-N 1 2 292.383 1.007 40 0 CDABLO CC[C@H](C)[N@@H+]1Cc2c(n(C)nc2C(=O)N2CCOCC2)C1 ZINC000096187556 358715483 /nfs/dbraw/zinc/71/54/83/358715483.db2.gz GMOFJRFKXISOSS-NSHDSACASA-N 1 2 292.383 1.007 40 0 CDABLO CC(=O)N1CCO[C@@H]2CN(c3cccc[nH+]3)CC[C@@H]2C1 ZINC000096249843 358726841 /nfs/dbraw/zinc/72/68/41/358726841.db2.gz DVNHXTSJPXZCSK-ZIAGYGMSSA-N 1 2 275.352 1.155 40 0 CDABLO Cc1cnn(C)c1C[NH2+]Cc1ccn(CCF)n1 ZINC000256054990 190005416 /nfs/dbraw/zinc/00/54/16/190005416.db2.gz YRGBTWAZSQVRHZ-UHFFFAOYSA-N 1 2 251.309 1.184 40 0 CDABLO Cc1nn(C)cc1C[NH2+]Cc1ccn(C(F)F)n1 ZINC000256049819 190002992 /nfs/dbraw/zinc/00/29/92/190002992.db2.gz BPGWAYFFNILRHZ-UHFFFAOYSA-N 1 2 255.272 1.610 40 0 CDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2cccs2)[nH+]1 ZINC000257214553 190012751 /nfs/dbraw/zinc/01/27/51/190012751.db2.gz CMKMFIHKIJOQQH-SNVBAGLBSA-N 1 2 277.349 1.993 40 0 CDABLO Cc1ccn(CCC(=O)N2CCC[C@@H]2c2[nH]cc(C)[nH+]2)n1 ZINC000257234665 190016950 /nfs/dbraw/zinc/01/69/50/190016950.db2.gz GUONONPPHSGSIE-CYBMUJFWSA-N 1 2 287.367 1.977 40 0 CDABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2cccc(=O)[nH]2)[nH+]1 ZINC000257239211 190017846 /nfs/dbraw/zinc/01/78/46/190017846.db2.gz HOKIETQMLRGPPA-NSHDSACASA-N 1 2 272.308 1.796 40 0 CDABLO CCS(=O)(=O)N1CCC[C@@H]1c1cc[nH+]c(NC)c1 ZINC000257243407 190018218 /nfs/dbraw/zinc/01/82/18/190018218.db2.gz IGVKKSKJQSRCER-LLVKDONJSA-N 1 2 269.370 1.610 40 0 CDABLO O=C(c1ccsc1)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257248362 190019710 /nfs/dbraw/zinc/01/97/10/190019710.db2.gz JDIGSGCJLLYJTJ-STQMWFEESA-N 1 2 291.376 1.783 40 0 CDABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cn(C)nc3C)C2)[nH+]1 ZINC000257259536 190021332 /nfs/dbraw/zinc/02/13/32/190021332.db2.gz KYUZHPFYAXOCLZ-GFCCVEGCSA-N 1 2 287.367 1.780 40 0 CDABLO Cc1c[nH]c([C@@H]2CN(Cc3c[nH+]cn3C)CCO2)n1 ZINC000257289309 190027536 /nfs/dbraw/zinc/02/75/36/190027536.db2.gz PYBFSWKDWRSLAF-LBPRGKRZSA-N 1 2 261.329 1.025 40 0 CDABLO Cc1cn(C)c([C@H]2CN(Cc3[nH+]ccn3C)CCO2)n1 ZINC000257341751 190036800 /nfs/dbraw/zinc/03/68/00/190036800.db2.gz ZLVFKUMLWLKJTQ-GFCCVEGCSA-N 1 2 275.356 1.036 40 0 CDABLO Cc1ccc(C[NH2+]C2(Cc3cc(CCO)on3)COC2)o1 ZINC000067897763 377286126 /nfs/dbraw/zinc/28/61/26/377286126.db2.gz FSDHNFWUYMSKKK-UHFFFAOYSA-N 1 2 292.335 1.212 40 0 biogenic,in-vitro CDABLO CC[C@@H](O)c1ccc(N2CCN(C=O)CC2)[nH+]c1C ZINC000072224727 390625216 /nfs/dbraw/zinc/62/52/16/390625216.db2.gz MFXDDLRPBZOIOR-CYBMUJFWSA-N 1 2 263.341 1.112 40 0 CDABLO C[N@@H+]1CCC[C@]1(C(=O)N1CCCC1)c1cnccn1 ZINC000257328031 391650032 /nfs/dbraw/zinc/65/00/32/391650032.db2.gz XDVHZWGKMZBYKV-CQSZACIVSA-N 1 2 260.341 1.020 40 0 CDABLO C[N@H+]1CCC[C@]1(C(=O)N1CCCC1)c1cnccn1 ZINC000257328031 391650037 /nfs/dbraw/zinc/65/00/37/391650037.db2.gz XDVHZWGKMZBYKV-CQSZACIVSA-N 1 2 260.341 1.020 40 0 CDABLO C[NH+]1CCN(C(=O)[C@]23CC[C@H](C2)C(C)(C)C3=O)CC1 ZINC000020291639 171134417 /nfs/dbraw/zinc/13/44/17/171134417.db2.gz LXVPELZWNPIMQG-IAQYHMDHSA-N 1 2 264.369 1.156 40 0 CDABLO Cc1ccccc1O[C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000038772642 174154770 /nfs/dbraw/zinc/15/47/70/174154770.db2.gz SQFAZASMUYMDCH-AWEZNQCLSA-N 1 2 292.379 1.211 40 0 CDABLO Cn1cc[nH+]c1[C@H](NC(=O)c1cnccn1)c1ccccc1 ZINC000045842513 175385064 /nfs/dbraw/zinc/38/50/64/175385064.db2.gz CKOFKCHZHBEPPE-CQSZACIVSA-N 1 2 293.330 1.730 40 0 CDABLO Cc1cc(N(C)C)nc([C@H]2CCN(c3cnccn3)C2)[nH+]1 ZINC000072356739 176375973 /nfs/dbraw/zinc/37/59/73/176375973.db2.gz QAVLNVJLPGNNQE-LBPRGKRZSA-N 1 2 284.367 1.635 40 0 CDABLO Cc1cc(N2CC[C@H](c3[nH]nc4nccnc43)C2)nc[nH+]1 ZINC000072364116 176378996 /nfs/dbraw/zinc/37/89/96/176378996.db2.gz ALFQAZRCJNGHMX-JTQLQIEISA-N 1 2 281.323 1.445 40 0 CDABLO CC(=O)N1CCC[C@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378534 176385534 /nfs/dbraw/zinc/38/55/34/176385534.db2.gz LSVNFFRLMPMUSG-LBPRGKRZSA-N 1 2 257.297 1.346 40 0 CDABLO C[C@]1(C(N)=O)C[N@H+](Cc2ccc(Cl)cc2)CCO1 ZINC000072379440 176386412 /nfs/dbraw/zinc/38/64/12/176386412.db2.gz UJSZMKDKHRNQTR-CYBMUJFWSA-N 1 2 268.744 1.416 40 0 CDABLO C[C@]1(C(N)=O)C[N@@H+](Cc2ccc(Cl)cc2)CCO1 ZINC000072379440 176386413 /nfs/dbraw/zinc/38/64/13/176386413.db2.gz UJSZMKDKHRNQTR-CYBMUJFWSA-N 1 2 268.744 1.416 40 0 CDABLO COC(=O)C[C@H](C(=O)OC)[N@@H+]1CCc2ccccc2C1 ZINC000072415054 176399338 /nfs/dbraw/zinc/39/93/38/176399338.db2.gz VXDQHCKJIPITJT-CYBMUJFWSA-N 1 2 277.320 1.149 40 0 CDABLO COC(=O)C[C@H](C(=O)OC)[N@H+]1CCc2ccccc2C1 ZINC000072415054 176399340 /nfs/dbraw/zinc/39/93/40/176399340.db2.gz VXDQHCKJIPITJT-CYBMUJFWSA-N 1 2 277.320 1.149 40 0 CDABLO COc1cccc2c1cc[nH+]c2N1CCN2C(=O)NC[C@@H]2C1 ZINC000333375665 278042190 /nfs/dbraw/zinc/04/21/90/278042190.db2.gz AMVMETKNPHMCJN-LLVKDONJSA-N 1 2 298.346 1.457 40 0 CDABLO O=C(c1ccc(F)cc1)N1CCCN2CCC[NH+]=C21 ZINC000019014909 304520799 /nfs/dbraw/zinc/52/07/99/304520799.db2.gz QWAAWLMYGXLYRG-UHFFFAOYSA-N 1 2 261.300 1.733 40 0 CDABLO O=C1C[NH+](C2CCCCC2)CC(=O)N2CCCCN12 ZINC000001576616 304638393 /nfs/dbraw/zinc/63/83/93/304638393.db2.gz FRASCJCLWQAAEN-UHFFFAOYSA-N 1 2 265.357 1.001 40 0 CDABLO Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3c2cccc[nH+]2)cn1 ZINC000097953293 534732230 /nfs/dbraw/zinc/73/22/30/534732230.db2.gz QRVXBEAAVNEKCD-KGLIPLIRSA-N 1 2 297.362 1.309 40 0 CDABLO CCOc1ccc([C@@H]([NH3+])c2nc(CO)n[nH]2)cc1OCC ZINC000095534627 185005920 /nfs/dbraw/zinc/00/59/20/185005920.db2.gz GFSJIPNQAVNKJK-CYBMUJFWSA-N 1 2 292.339 1.143 40 0 CDABLO COCC(=O)N1Cc2[nH+]cn(CC3CC3)c2[C@H](COC)C1 ZINC000096060294 185081607 /nfs/dbraw/zinc/08/16/07/185081607.db2.gz VSXPNBGMIASZHE-LBPRGKRZSA-N 1 2 293.367 1.012 40 0 CDABLO COC[C@H]1CN(Cc2ccoc2)Cc2[nH+]cn(C)c21 ZINC000096086907 185094368 /nfs/dbraw/zinc/09/43/68/185094368.db2.gz LARSSDHSKDTYBS-GFCCVEGCSA-N 1 2 261.325 1.759 40 0 CDABLO COC[C@H]1C[N@H+](Cc2ccoc2)Cc2ncn(C)c21 ZINC000096086907 185094369 /nfs/dbraw/zinc/09/43/69/185094369.db2.gz LARSSDHSKDTYBS-GFCCVEGCSA-N 1 2 261.325 1.759 40 0 CDABLO COC[C@H]1C[N@@H+](Cc2ccoc2)Cc2ncn(C)c21 ZINC000096086907 185094371 /nfs/dbraw/zinc/09/43/71/185094371.db2.gz LARSSDHSKDTYBS-GFCCVEGCSA-N 1 2 261.325 1.759 40 0 CDABLO COCCc1c[nH+]c2n1CCN(Cc1cc(C)on1)[C@@H]2C ZINC000585098581 342211949 /nfs/dbraw/zinc/21/19/49/342211949.db2.gz UZIPEJCVKGWLSN-GFCCVEGCSA-N 1 2 290.367 1.945 40 0 CDABLO O[C@H]1CC[N@H+](Cc2ncc[nH]2)C[C@H]1Cc1ccccc1F ZINC000585275162 342255967 /nfs/dbraw/zinc/25/59/67/342255967.db2.gz YQGMOISWUUFRSS-HIFRSBDPSA-N 1 2 289.354 1.974 40 0 CDABLO O[C@H]1CC[N@@H+](Cc2ncc[nH]2)C[C@H]1Cc1ccccc1F ZINC000585275162 342255968 /nfs/dbraw/zinc/25/59/68/342255968.db2.gz YQGMOISWUUFRSS-HIFRSBDPSA-N 1 2 289.354 1.974 40 0 CDABLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)C1CCOCC1 ZINC000130950789 136389088 /nfs/dbraw/zinc/38/90/88/136389088.db2.gz JOANQRXVIVBVAD-AWEZNQCLSA-N 1 2 289.379 1.593 40 0 CDABLO Cc1cc(N2CCO[C@@H](Cc3cccnc3)C2)nc[nH+]1 ZINC000257341784 362587919 /nfs/dbraw/zinc/58/79/19/362587919.db2.gz ZLYJBWLKMWGXQX-AWEZNQCLSA-N 1 2 270.336 1.628 40 0 CDABLO Nc1nc(N)c(CCCCc2ccccc2)c(N)[nH+]1 ZINC000003954190 356014165 /nfs/dbraw/zinc/01/41/65/356014165.db2.gz XDVRXWVIQZDMRG-UHFFFAOYSA-N 1 2 257.341 1.789 40 0 in-vitro CDABLO C[N@H+]1Cc2c(Br)c3c(cc2[C@@H](O)C1)OCO3 ZINC000261828417 283253137 /nfs/dbraw/zinc/25/31/37/283253137.db2.gz NSNDGJJSTOSEGG-QMMMGPOBSA-N 1 2 286.125 1.657 40 0 CDABLO C[N@@H+]1Cc2c(Br)c3c(cc2[C@@H](O)C1)OCO3 ZINC000261828417 283253138 /nfs/dbraw/zinc/25/31/38/283253138.db2.gz NSNDGJJSTOSEGG-QMMMGPOBSA-N 1 2 286.125 1.657 40 0 CDABLO COc1ccc(C(=O)O[C@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000019456173 358066567 /nfs/dbraw/zinc/06/65/67/358066567.db2.gz PZLZFQBGMVTMFC-CYBMUJFWSA-N 1 2 292.379 1.488 40 0 CDABLO Cc1noc([C@@H]2C[C@H](NC(=O)c3ccccc3)C[N@H+]2C)n1 ZINC000012530006 367757338 /nfs/dbraw/zinc/75/73/38/367757338.db2.gz ZTKYFBSBIUFNFB-STQMWFEESA-N 1 2 286.335 1.553 40 0 biogenic,in-vitro CDABLO Cc1noc([C@@H]2C[C@H](NC(=O)c3ccccc3)C[N@@H+]2C)n1 ZINC000012530006 367757344 /nfs/dbraw/zinc/75/73/44/367757344.db2.gz ZTKYFBSBIUFNFB-STQMWFEESA-N 1 2 286.335 1.553 40 0 biogenic,in-vitro CDABLO O=C1OC[C@@H]2CC[N@@H+](C3COC3)Cc3ccccc3N12 ZINC000225482304 374493403 /nfs/dbraw/zinc/49/34/03/374493403.db2.gz ICIBIIWUBPJFRN-LBPRGKRZSA-N 1 2 274.320 1.616 40 0 biogenic,in-vitro CDABLO O=C1OC[C@@H]2CC[N@H+](C3COC3)Cc3ccccc3N12 ZINC000225482304 374493410 /nfs/dbraw/zinc/49/34/10/374493410.db2.gz ICIBIIWUBPJFRN-LBPRGKRZSA-N 1 2 274.320 1.616 40 0 biogenic,in-vitro CDABLO COCCN1CC[C@]2(CN(c3cccc[nH+]3)C[C@H]2C)C1=O ZINC000306142877 374972526 /nfs/dbraw/zinc/97/25/26/374972526.db2.gz XNCXXIMUJQQUCO-CZUORRHYSA-N 1 2 289.379 1.403 40 0 CDABLO CCn1ncc(C[NH2+]Cc2ccnn2CCF)c1F ZINC000256055176 190005309 /nfs/dbraw/zinc/00/53/09/190005309.db2.gz ZOIFTIOBZPOFFS-UHFFFAOYSA-N 1 2 269.299 1.498 40 0 CDABLO Cc1cc(C[NH2+]Cc2ccn(CC(F)F)n2)n(C)n1 ZINC000256052261 190004297 /nfs/dbraw/zinc/00/42/97/190004297.db2.gz MPMMUDGWAJVIHW-UHFFFAOYSA-N 1 2 269.299 1.480 40 0 CDABLO COc1cccc(C[C@@H]2C[N@H+](CC(=O)N(C)C)CCO2)c1 ZINC000257214733 190012977 /nfs/dbraw/zinc/01/29/77/190012977.db2.gz CNFHJFMCPFJSBI-OAHLLOKOSA-N 1 2 292.379 1.027 40 0 CDABLO COc1cccc(C[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO2)c1 ZINC000257214733 190012978 /nfs/dbraw/zinc/01/29/78/190012978.db2.gz CNFHJFMCPFJSBI-OAHLLOKOSA-N 1 2 292.379 1.027 40 0 CDABLO Cn1cc(C[N@@H+]2CCC[C@@H](Cc3ccn[nH]3)C2)cn1 ZINC000257281417 190026124 /nfs/dbraw/zinc/02/61/24/190026124.db2.gz OPCGSYBIZKBSAL-LBPRGKRZSA-N 1 2 259.357 1.598 40 0 CDABLO Cn1cc(C[N@H+]2CCC[C@@H](Cc3ccn[nH]3)C2)cn1 ZINC000257281417 190026125 /nfs/dbraw/zinc/02/61/25/190026125.db2.gz OPCGSYBIZKBSAL-LBPRGKRZSA-N 1 2 259.357 1.598 40 0 CDABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3cnc(C)cn3)C2)[nH+]1 ZINC000257288427 190026666 /nfs/dbraw/zinc/02/66/66/190026666.db2.gz PUDRTGQEMAOCRU-LLVKDONJSA-N 1 2 271.324 1.446 40 0 CDABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3cnco3)C2)[nH+]1 ZINC000257275623 190024729 /nfs/dbraw/zinc/02/47/29/190024729.db2.gz NQDVVPARRHLFOD-JTQLQIEISA-N 1 2 260.297 1.726 40 0 CDABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3cnco3)C2)[nH+]1 ZINC000257305578 190030962 /nfs/dbraw/zinc/03/09/62/190030962.db2.gz SQPOZTNHVYWSEX-SNVBAGLBSA-N 1 2 260.297 1.346 40 0 CDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2cccn2C)[nH+]1 ZINC000257336516 190036015 /nfs/dbraw/zinc/03/60/15/190036015.db2.gz YOUYBODSBXEALN-GFCCVEGCSA-N 1 2 274.324 1.270 40 0 CDABLO Cc1ccc(C[NH2+]C2(Cc3cc(CO)on3)COC2)o1 ZINC000067898075 377286226 /nfs/dbraw/zinc/28/62/26/377286226.db2.gz MPJOUVMGZVQSJH-UHFFFAOYSA-N 1 2 278.308 1.170 40 0 biogenic,in-vitro CDABLO O=C(CCNc1ccc2ccccc2[nH+]1)N1CCOCC1 ZINC000158087267 390550438 /nfs/dbraw/zinc/55/04/38/390550438.db2.gz OFRVYIMANKCISU-UHFFFAOYSA-N 1 2 285.347 1.896 40 0 CDABLO CCN(CC)Cc1nc([C@@H]([NH3+])c2ccccc2)no1 ZINC000070453752 390942628 /nfs/dbraw/zinc/94/26/28/390942628.db2.gz BNRXEUQPADZGEI-ZDUSSCGKSA-N 1 2 260.341 1.960 40 0 CDABLO C(=C/[C@@H]1OC[C@@H](C[NH+]2CCOCC2)O1)\c1ccccc1 ZINC000035183193 172036721 /nfs/dbraw/zinc/03/67/21/172036721.db2.gz PBBQTZURHFLBNT-YCZSJOHXSA-N 1 2 275.348 1.774 40 0 CDABLO Cc1ccc(C(=O)C[NH2+][C@@H]2CCS(=O)(=O)C2)cc1C ZINC000040177481 174202588 /nfs/dbraw/zinc/20/25/88/174202588.db2.gz WOBMCDFNGQCXAG-CYBMUJFWSA-N 1 2 281.377 1.263 40 0 CDABLO Cc1cncnc1C1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000072356575 176375463 /nfs/dbraw/zinc/37/54/63/176375463.db2.gz KEIZMSWEYAHJIF-UHFFFAOYSA-N 1 2 257.341 1.888 40 0 CDABLO CC(=O)N1CCC[C@@H]1c1nccnc1-n1cc[nH+]c1 ZINC000072359243 176377093 /nfs/dbraw/zinc/37/70/93/176377093.db2.gz JVXNZFCGCUEPKY-LLVKDONJSA-N 1 2 257.297 1.346 40 0 CDABLO Cc1nc(N(C)C)cc([C@@H]2CCN(c3cnccn3)C2)[nH+]1 ZINC000072363828 176378330 /nfs/dbraw/zinc/37/83/30/176378330.db2.gz WOQCNECSRFEGMD-GFCCVEGCSA-N 1 2 284.367 1.635 40 0 CDABLO CC(=O)N1CCCC[C@@H]1CCc1cc(-n2cc[nH+]c2)ncn1 ZINC000072364817 176380014 /nfs/dbraw/zinc/38/00/14/176380014.db2.gz IZDKAVZKSUGUBE-OAHLLOKOSA-N 1 2 299.378 1.996 40 0 CDABLO Cc1nc(N2CCC[C@H](c3[nH]nc4nccnc43)C2)cc[nH+]1 ZINC000072364318 282186043 /nfs/dbraw/zinc/18/60/43/282186043.db2.gz VGPVRMPIJDIRGN-NSHDSACASA-N 1 2 295.350 1.835 40 0 CDABLO CCOc1ccc([C@H]([NH3+])c2nnc[nH]2)cc1OCC ZINC000087878899 362163642 /nfs/dbraw/zinc/16/36/42/362163642.db2.gz LPMCBHLKXFPGLH-LBPRGKRZSA-N 1 2 262.313 1.650 40 0 CDABLO c1ccc2[nH+]c(N3CCN(c4cccnn4)CC3)[nH]c2c1 ZINC000134922767 136391911 /nfs/dbraw/zinc/39/19/11/136391911.db2.gz LUBWTFGGJHMZIT-UHFFFAOYSA-N 1 2 280.335 1.680 40 0 CDABLO Cc1cc(Cl)ccc1C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000136219018 362941384 /nfs/dbraw/zinc/94/13/84/362941384.db2.gz WLNMXNCDKWDIHJ-ZDUSSCGKSA-N 1 2 279.771 1.858 40 0 CDABLO Cc1cc(Cl)ccc1C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000136219018 362941392 /nfs/dbraw/zinc/94/13/92/362941392.db2.gz WLNMXNCDKWDIHJ-ZDUSSCGKSA-N 1 2 279.771 1.858 40 0 CDABLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccco1 ZINC000152811454 188045726 /nfs/dbraw/zinc/04/57/26/188045726.db2.gz WTGIUKBSUAWSJA-NSHDSACASA-N 1 2 257.293 1.683 40 0 CDABLO CCc1ccc(C(=S)NCC[NH+]2CCOCC2)cc1 ZINC000408571879 355998707 /nfs/dbraw/zinc/99/87/07/355998707.db2.gz DAKCLFGPBLLEDZ-UHFFFAOYSA-N 1 2 278.421 1.846 40 0 CDABLO CC[NH+]1CCN(c2nc3c(c(NC)n2)C(=O)CCC3)CC1 ZINC000010157624 356252169 /nfs/dbraw/zinc/25/21/69/356252169.db2.gz IGNLRUJBUSQUDS-UHFFFAOYSA-N 1 2 289.383 1.179 40 0 CDABLO CCOC(=O)[C@H](c1ccccc1)[C@H]([NH3+])C(=O)OCC ZINC000019203243 356476282 /nfs/dbraw/zinc/47/62/82/356476282.db2.gz QWIQBXQJIIQFIB-NEPJUHHUSA-N 1 2 265.309 1.224 40 0 CDABLO NC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000031659586 356767874 /nfs/dbraw/zinc/76/78/74/356767874.db2.gz IEKJWJWAMSMLGJ-UHFFFAOYSA-N 1 2 253.733 1.536 40 0 CDABLO CC(=O)N1CC[C@H](Cc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000072366258 357830742 /nfs/dbraw/zinc/83/07/42/357830742.db2.gz YAIIXLWPIQGKJU-OAHLLOKOSA-N 1 2 289.379 1.329 40 0 CDABLO Cc1nn(C)cc1[C@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000192302302 358187928 /nfs/dbraw/zinc/18/79/28/358187928.db2.gz SFJLXWIRXSLDGF-LURJTMIESA-N 1 2 266.736 1.927 40 0 CDABLO Cc1nn(C)cc1[C@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000192302302 358187931 /nfs/dbraw/zinc/18/79/31/358187931.db2.gz SFJLXWIRXSLDGF-LURJTMIESA-N 1 2 266.736 1.927 40 0 CDABLO COC[C@@H]1CN(c2ccncn2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045098 358706479 /nfs/dbraw/zinc/70/64/79/358706479.db2.gz DAXBKVPBWVCOAQ-ZDUSSCGKSA-N 1 2 299.378 1.833 40 0 CDABLO O=S(=O)(NCCCn1cc[nH+]c1)C1CCCC1 ZINC000223450172 361454267 /nfs/dbraw/zinc/45/42/67/361454267.db2.gz ZZTMPMIMTHVCEW-UHFFFAOYSA-N 1 2 257.359 1.135 40 0 CDABLO O=C(NCc1ccccn1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000225509569 374580970 /nfs/dbraw/zinc/58/09/70/374580970.db2.gz TZDYAVMCHWVMNE-JTQLQIEISA-N 1 2 256.309 1.226 40 0 CDABLO O=C(NCc1ccccn1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000225509569 374580979 /nfs/dbraw/zinc/58/09/79/374580979.db2.gz TZDYAVMCHWVMNE-JTQLQIEISA-N 1 2 256.309 1.226 40 0 CDABLO Cc1c[nH]c([C@@H]2CCN(C(=O)C3CCOCC3)C2)[nH+]1 ZINC000257265769 190023005 /nfs/dbraw/zinc/02/30/05/190023005.db2.gz MAENISAEFGNQGM-GFCCVEGCSA-N 1 2 263.341 1.461 40 0 CDABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)Cc2c(C)n[nH]c2C)[nH+]1 ZINC000257272779 190024822 /nfs/dbraw/zinc/02/48/22/190024822.db2.gz NDVOHNGJPANMAG-ZDUSSCGKSA-N 1 2 287.367 1.964 40 0 CDABLO CNc1cncc([C@H]2CCC[N@@H+]2Cc2[nH]cnc2C)n1 ZINC000257295938 190028142 /nfs/dbraw/zinc/02/81/42/190028142.db2.gz RANDVNGFRCBUFR-CYBMUJFWSA-N 1 2 272.356 1.887 40 0 CDABLO CNc1cncc([C@H]2CCC[N@H+]2Cc2[nH]cnc2C)n1 ZINC000257295938 190028143 /nfs/dbraw/zinc/02/81/43/190028143.db2.gz RANDVNGFRCBUFR-CYBMUJFWSA-N 1 2 272.356 1.887 40 0 CDABLO Cc1ccnc([C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)n1 ZINC000257328083 190034580 /nfs/dbraw/zinc/03/45/80/190034580.db2.gz XEAWEZDGSXKDFA-CYBMUJFWSA-N 1 2 285.351 1.388 40 0 CDABLO CN(Cc1ccco1)c1nc[nH+]c2c1NC(=O)CN2 ZINC000041121579 379335232 /nfs/dbraw/zinc/33/52/32/379335232.db2.gz SKKPYPLSCUEIJI-UHFFFAOYSA-N 1 2 259.269 1.070 40 0 CDABLO CN(Cc1ccco1)c1[nH+]cnc2c1NC(=O)CN2 ZINC000041121579 379335242 /nfs/dbraw/zinc/33/52/42/379335242.db2.gz SKKPYPLSCUEIJI-UHFFFAOYSA-N 1 2 259.269 1.070 40 0 CDABLO O=CN1CCCC[C@H]1c1ccc[nH+]c1N1CCOCC1 ZINC000072216254 390621263 /nfs/dbraw/zinc/62/12/63/390621263.db2.gz WAUVBHQNJUSOGU-AWEZNQCLSA-N 1 2 275.352 1.602 40 0 CDABLO CO[C@H]1C[N@H+](Cc2cc(C)on2)C[C@@]12CCCO2 ZINC000257218159 286073482 /nfs/dbraw/zinc/07/34/82/286073482.db2.gz DCBKPSDNPGWCRS-STQMWFEESA-N 1 2 252.314 1.363 40 0 CDABLO CO[C@H]1C[N@@H+](Cc2cc(C)on2)C[C@@]12CCCO2 ZINC000257218159 286073483 /nfs/dbraw/zinc/07/34/83/286073483.db2.gz DCBKPSDNPGWCRS-STQMWFEESA-N 1 2 252.314 1.363 40 0 CDABLO Cc1cc(NC(=O)C[N@H+](C)CCOc2ccccc2)on1 ZINC000044896534 175273996 /nfs/dbraw/zinc/27/39/96/175273996.db2.gz LUSVAAVKPYFPTM-UHFFFAOYSA-N 1 2 289.335 1.932 40 0 CDABLO Cc1cc(NC(=O)C[N@@H+](C)CCOc2ccccc2)on1 ZINC000044896534 175273997 /nfs/dbraw/zinc/27/39/97/175273997.db2.gz LUSVAAVKPYFPTM-UHFFFAOYSA-N 1 2 289.335 1.932 40 0 CDABLO CCC(=O)N1CCC[C@H]1c1nccnc1-n1cc[nH+]c1 ZINC000072367544 176381603 /nfs/dbraw/zinc/38/16/03/176381603.db2.gz KUKQWNZDSUXLEZ-NSHDSACASA-N 1 2 271.324 1.736 40 0 CDABLO CC(C)(C)OC(=O)N1CC[NH2+][C@H](c2ccccn2)C1 ZINC000095752329 277189339 /nfs/dbraw/zinc/18/93/39/277189339.db2.gz BPWOXCWPHVVITM-LBPRGKRZSA-N 1 2 263.341 1.963 40 0 CDABLO C[NH+]1CCN(C(=O)[C@@]23C[C@H]4CC[C@]2(C)[C@@]4(C)CO3)CC1 ZINC000033899792 290023953 /nfs/dbraw/zinc/02/39/53/290023953.db2.gz WGFILQMKBVDBMT-BVUBDWEXSA-N 1 2 278.396 1.356 40 0 CDABLO CN(CCOCC1CC1)c1nc[nH+]c(N)c1Cl ZINC000234295967 522890788 /nfs/dbraw/zinc/89/07/88/522890788.db2.gz YAWDAKGHDMZJLY-UHFFFAOYSA-N 1 2 256.737 1.575 40 0 CDABLO CN(CCOCC1CC1)c1[nH+]cnc(N)c1Cl ZINC000234295967 522890801 /nfs/dbraw/zinc/89/08/01/522890801.db2.gz YAWDAKGHDMZJLY-UHFFFAOYSA-N 1 2 256.737 1.575 40 0 CDABLO Cc1c[nH]c([C@H]2COCCN2C2CCOCC2)[nH+]1 ZINC000257317324 301025230 /nfs/dbraw/zinc/02/52/30/301025230.db2.gz VJHVKJWMNIDPQU-GFCCVEGCSA-N 1 2 251.330 1.270 40 0 CDABLO OC[C@H]1[C@@H](CO)[C@H]2C[C@@H]1[C@@H]1[C@H]2N=[NH+]N1c1ccccc1 ZINC000004958216 326813515 /nfs/dbraw/zinc/81/35/15/326813515.db2.gz POKLWBLDSUIKAG-ULXLPNHUSA-N 1 2 273.336 1.478 40 0 CDABLO COc1cccc([C@H]([NH3+])c2nc([C@@H]3CCCO3)n[nH]2)c1 ZINC000095533594 185007339 /nfs/dbraw/zinc/00/73/39/185007339.db2.gz NOBHMLUMYPDDEK-RYUDHWBXSA-N 1 2 274.324 1.713 40 0 CDABLO COC[C@@H]1C[N@H+](Cc2ccsc2)Cc2nnn(C)c21 ZINC000096060599 185080372 /nfs/dbraw/zinc/08/03/72/185080372.db2.gz JGPZRSCOUHAUDO-NSHDSACASA-N 1 2 278.381 1.622 40 0 CDABLO COC[C@@H]1C[N@@H+](Cc2ccsc2)Cc2nnn(C)c21 ZINC000096060599 185080373 /nfs/dbraw/zinc/08/03/73/185080373.db2.gz JGPZRSCOUHAUDO-NSHDSACASA-N 1 2 278.381 1.622 40 0 CDABLO CN1CC[C@]2(C[N@H+](Cc3cn[nH]c3)CC(F)(F)C2)C1=O ZINC000585093080 342210903 /nfs/dbraw/zinc/21/09/03/342210903.db2.gz AMRSZALDDCQZQK-LBPRGKRZSA-N 1 2 284.310 1.099 40 0 CDABLO CN1CC[C@]2(C[N@@H+](Cc3cn[nH]c3)CC(F)(F)C2)C1=O ZINC000585093080 342210904 /nfs/dbraw/zinc/21/09/04/342210904.db2.gz AMRSZALDDCQZQK-LBPRGKRZSA-N 1 2 284.310 1.099 40 0 CDABLO Cn1cnc2c1C[C@H](CO)[N@H+](Cc1ccc3c(c1)CCC3)C2 ZINC000585094994 342211336 /nfs/dbraw/zinc/21/13/36/342211336.db2.gz YOURFEDLKMURRO-MRXNPFEDSA-N 1 2 297.402 1.828 40 0 CDABLO Cn1cnc2c1C[C@H](CO)[N@@H+](Cc1ccc3c(c1)CCC3)C2 ZINC000585094994 342211337 /nfs/dbraw/zinc/21/13/37/342211337.db2.gz YOURFEDLKMURRO-MRXNPFEDSA-N 1 2 297.402 1.828 40 0 CDABLO Cn1c[nH+]c2c1C[C@H](CO)N(Cc1ccc3c(c1)CCC3)C2 ZINC000585094994 342211338 /nfs/dbraw/zinc/21/13/38/342211338.db2.gz YOURFEDLKMURRO-MRXNPFEDSA-N 1 2 297.402 1.828 40 0 CDABLO CCOCCc1c[nH+]c2n1CCN(Cc1cn[nH]c1)[C@H]2C ZINC000585098752 342212124 /nfs/dbraw/zinc/21/21/24/342212124.db2.gz YYFNNZYSQJFEOH-LBPRGKRZSA-N 1 2 289.383 1.762 40 0 CDABLO CCOCCc1cnc2n1CC[N@@H+](Cc1cn[nH]c1)[C@H]2C ZINC000585098752 342212125 /nfs/dbraw/zinc/21/21/25/342212125.db2.gz YYFNNZYSQJFEOH-LBPRGKRZSA-N 1 2 289.383 1.762 40 0 CDABLO CCOCCc1cnc2n1CC[N@H+](Cc1cn[nH]c1)[C@H]2C ZINC000585098752 342212126 /nfs/dbraw/zinc/21/21/26/342212126.db2.gz YYFNNZYSQJFEOH-LBPRGKRZSA-N 1 2 289.383 1.762 40 0 CDABLO CNC(=O)C[C@@H]1C[N@H+](Cc2ccc(C)cc2)Cc2ccnn21 ZINC000585112658 342213615 /nfs/dbraw/zinc/21/36/15/342213615.db2.gz SQGPUQUXMWZYRK-MRXNPFEDSA-N 1 2 298.390 1.885 40 0 CDABLO CNC(=O)C[C@@H]1C[N@@H+](Cc2ccc(C)cc2)Cc2ccnn21 ZINC000585112658 342213616 /nfs/dbraw/zinc/21/36/16/342213616.db2.gz SQGPUQUXMWZYRK-MRXNPFEDSA-N 1 2 298.390 1.885 40 0 CDABLO O=C([C@@H]1CN(Cc2ccoc2)Cc2c[nH+]cn21)N1CCC1 ZINC000247805007 362132043 /nfs/dbraw/zinc/13/20/43/362132043.db2.gz AGSCOCFDRKSIDD-AWEZNQCLSA-N 1 2 286.335 1.265 40 0 CDABLO Cn1nccc1C[N@@H+]1CC[C@@H]2OCCN(CC3CC3)[C@H]2C1 ZINC000108534312 186221649 /nfs/dbraw/zinc/22/16/49/186221649.db2.gz LFTOMKZBUCFPDL-HOTGVXAUSA-N 1 2 290.411 1.105 40 0 CDABLO Cn1nccc1C[N@H+]1CC[C@@H]2OCCN(CC3CC3)[C@H]2C1 ZINC000108534312 186221650 /nfs/dbraw/zinc/22/16/50/186221650.db2.gz LFTOMKZBUCFPDL-HOTGVXAUSA-N 1 2 290.411 1.105 40 0 CDABLO CCO[C@H]1C[C@@H](NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000333816866 363170193 /nfs/dbraw/zinc/17/01/93/363170193.db2.gz ICRWGYICBXWDBG-MXWKQRLJSA-N 1 2 278.356 1.134 40 0 CDABLO CCO[C@H]1C[C@@H](NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000333816866 363170195 /nfs/dbraw/zinc/17/01/95/363170195.db2.gz ICRWGYICBXWDBG-MXWKQRLJSA-N 1 2 278.356 1.134 40 0 CDABLO CCOC(=O)c1cn(C)nc1C[NH+]1CCCCC1 ZINC000033359105 358473067 /nfs/dbraw/zinc/47/30/67/358473067.db2.gz MRZDFYLDXDYKFD-UHFFFAOYSA-N 1 2 251.330 1.583 40 0 CDABLO COc1ccc2nc(C)c(C(=O)N3CC[NH+](C)CC3)cc2c1 ZINC000408713811 356101046 /nfs/dbraw/zinc/10/10/46/356101046.db2.gz YZTWQRMTDZFAGK-UHFFFAOYSA-N 1 2 299.374 1.939 40 0 CDABLO COc1ccc2c(cc(C(=O)NCc3[nH]cc[nH+]3)n2C)c1 ZINC000019289778 356479677 /nfs/dbraw/zinc/47/96/77/356479677.db2.gz RKVGBVHAWAWLFF-UHFFFAOYSA-N 1 2 284.319 1.840 40 0 CDABLO Cc1[nH]c2ccc(NC(=O)[C@@H](C)N3CCCC3=O)cc2[nH+]1 ZINC000019576739 356492363 /nfs/dbraw/zinc/49/23/63/356492363.db2.gz JKIGOZDVJYANFO-SECBINFHSA-N 1 2 286.335 1.821 40 0 CDABLO CC(=O)N1CC[C@@H](Cc2cccc(N3CCOCC3)[nH+]2)C1 ZINC000072366257 357831364 /nfs/dbraw/zinc/83/13/64/357831364.db2.gz WVLLVSXOBJJUDK-AWEZNQCLSA-N 1 2 289.379 1.329 40 0 CDABLO COCC[N@@H+]1CCn2cnc(COCC3CC3)c2C1 ZINC000096260173 358729473 /nfs/dbraw/zinc/72/94/73/358729473.db2.gz LDWIKRBJGIZPPZ-UHFFFAOYSA-N 1 2 265.357 1.272 40 0 CDABLO COCC[N@H+]1CCn2cnc(COCC3CC3)c2C1 ZINC000096260173 358729474 /nfs/dbraw/zinc/72/94/74/358729474.db2.gz LDWIKRBJGIZPPZ-UHFFFAOYSA-N 1 2 265.357 1.272 40 0 CDABLO Cc1cncc(C2CCN(C(=O)CCn3cc[nH+]c3)CC2)n1 ZINC000257208375 190012453 /nfs/dbraw/zinc/01/24/53/190012453.db2.gz BLYHQQCTJCZGJL-UHFFFAOYSA-N 1 2 299.378 1.778 40 0 CDABLO COc1ncc(C[N@@H+]2CC[C@H](c3nc(C)c[nH]3)C2)cn1 ZINC000257323810 190034243 /nfs/dbraw/zinc/03/42/43/190034243.db2.gz WLXGBBLHWJBQNB-LBPRGKRZSA-N 1 2 273.340 1.506 40 0 CDABLO COc1ncc(C[N@H+]2CC[C@H](c3nc(C)c[nH]3)C2)cn1 ZINC000257323810 190034244 /nfs/dbraw/zinc/03/42/44/190034244.db2.gz WLXGBBLHWJBQNB-LBPRGKRZSA-N 1 2 273.340 1.506 40 0 CDABLO CN(C)c1cc([C@H]2CCCN2C(=O)c2ccn(C)n2)cc[nH+]1 ZINC000257344672 190037770 /nfs/dbraw/zinc/03/77/70/190037770.db2.gz ZYGFSZNXDZBPED-CQSZACIVSA-N 1 2 299.378 1.858 40 0 CDABLO COCCCNc1[nH+]cnc2c1cnn2-c1ccccn1 ZINC000041529151 379392578 /nfs/dbraw/zinc/39/25/78/379392578.db2.gz UFYOZRIMULNWRZ-UHFFFAOYSA-N 1 2 284.323 1.659 40 0 CDABLO CCOC(=O)C(F)(F)[C@@H]([NH3+])c1cccc(OC)c1 ZINC000199566706 397719599 /nfs/dbraw/zinc/71/95/99/397719599.db2.gz XPLAZBAWBTUWEH-JTQLQIEISA-N 1 2 259.252 1.893 40 0 CDABLO Cn1cc(C[NH2+]Cc2cc(C(F)(F)F)n(C)n2)cn1 ZINC000020349836 171155379 /nfs/dbraw/zinc/15/53/79/171155379.db2.gz TYSSAJOMBRVCAL-UHFFFAOYSA-N 1 2 273.262 1.462 40 0 CDABLO Cc1ccnc(NC(=S)NCC[NH+]2CCOCC2)c1 ZINC000022270295 171383440 /nfs/dbraw/zinc/38/34/40/171383440.db2.gz IBNJACPXTMTGMU-UHFFFAOYSA-N 1 2 280.397 1.009 40 0 CDABLO C[NH+](C)C1(Cc2cc(-c3cccc(O)c3)on2)COC1 ZINC000072321944 176369314 /nfs/dbraw/zinc/36/93/14/176369314.db2.gz DGESDTNVOWUMAK-UHFFFAOYSA-N 1 2 274.320 1.920 40 0 biogenic,in-vitro CDABLO CC(=O)N1CCC[C@@H](c2cncc(-c3ccc(N)[nH+]c3)n2)C1 ZINC000072359323 176376756 /nfs/dbraw/zinc/37/67/56/176376756.db2.gz VENXUMFKYUMQBK-CYBMUJFWSA-N 1 2 297.362 1.847 40 0 CDABLO CC(C)C[C@](C)([NH2+]Cc1nnc(C(C)C)o1)C(N)=O ZINC000077317164 177251608 /nfs/dbraw/zinc/25/16/08/177251608.db2.gz FDOJIYURWKKSPQ-ZDUSSCGKSA-N 1 2 268.361 1.573 40 0 CDABLO O=C(NCCc1cccs1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000077875355 177305791 /nfs/dbraw/zinc/30/57/91/177305791.db2.gz BOPNNTWESXYALN-JTQLQIEISA-N 1 2 275.377 1.935 40 0 CDABLO O=C(NCCc1cccs1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000077875355 177305793 /nfs/dbraw/zinc/30/57/93/177305793.db2.gz BOPNNTWESXYALN-JTQLQIEISA-N 1 2 275.377 1.935 40 0 CDABLO COC[C@@H]1CN(C(=O)C2=CCCCC2)Cc2[nH+]cn(C)c21 ZINC000096068613 277253049 /nfs/dbraw/zinc/25/30/49/277253049.db2.gz JHADCSJZBUSDRP-ZDUSSCGKSA-N 1 2 289.379 1.993 40 0 CDABLO Cc1occc1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000108531241 294048732 /nfs/dbraw/zinc/04/87/32/294048732.db2.gz ODKQPFBGQURNJD-STQMWFEESA-N 1 2 264.325 1.133 40 0 CDABLO Cc1occc1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000108531241 294048737 /nfs/dbraw/zinc/04/87/37/294048737.db2.gz ODKQPFBGQURNJD-STQMWFEESA-N 1 2 264.325 1.133 40 0 CDABLO CCn1nccc1CN(C)c1nc[nH+]c2c1C[C@@H](C)CN2 ZINC000046087814 1166301492 /nfs/dbraw/zinc/30/14/92/1166301492.db2.gz UXDIOSPKEXNQGV-LLVKDONJSA-N 1 2 286.383 1.934 40 0 CDABLO CCn1nccc1CN(C)c1[nH+]cnc2c1C[C@@H](C)CN2 ZINC000046087814 1166301498 /nfs/dbraw/zinc/30/14/98/1166301498.db2.gz UXDIOSPKEXNQGV-LLVKDONJSA-N 1 2 286.383 1.934 40 0 CDABLO COc1ccc([C@@H]([NH3+])c2nc([C@@H]3CCCO3)n[nH]2)cc1 ZINC000095533737 185006225 /nfs/dbraw/zinc/00/62/25/185006225.db2.gz PYWSDXLDABYWSV-NWDGAFQWSA-N 1 2 274.324 1.713 40 0 CDABLO CCN1CC[C@@]2(C[N@H+](Cc3cn[nH]c3)CC(F)(F)C2)C1=O ZINC000585093267 342211008 /nfs/dbraw/zinc/21/10/08/342211008.db2.gz MWEVSZHLNPRLLN-CYBMUJFWSA-N 1 2 298.337 1.489 40 0 CDABLO CCN1CC[C@@]2(C[N@@H+](Cc3cn[nH]c3)CC(F)(F)C2)C1=O ZINC000585093267 342211009 /nfs/dbraw/zinc/21/10/09/342211009.db2.gz MWEVSZHLNPRLLN-CYBMUJFWSA-N 1 2 298.337 1.489 40 0 CDABLO CN(C(=O)c1cnn(C)c1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257236534 362579343 /nfs/dbraw/zinc/57/93/43/362579343.db2.gz HCPOTWQPQOYKAA-CQSZACIVSA-N 1 2 299.378 1.556 40 0 CDABLO Cc1nc(N2CCO[C@H](CCc3ccncn3)C2)cc[nH+]1 ZINC000257234047 362579462 /nfs/dbraw/zinc/57/94/62/362579462.db2.gz GRWHNMFOQUPDEH-CQSZACIVSA-N 1 2 285.351 1.413 40 0 CDABLO NC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000031666737 356767915 /nfs/dbraw/zinc/76/79/15/356767915.db2.gz NVSZHCKZZPXHFI-UHFFFAOYSA-N 1 2 253.733 1.536 40 0 CDABLO c1cn(-c2cncc([C@@H]3CCCN3c3ncccn3)n2)c[nH+]1 ZINC000072378787 357830757 /nfs/dbraw/zinc/83/07/57/357830757.db2.gz VAGULKBTLJCZOG-ZDUSSCGKSA-N 1 2 293.334 1.794 40 0 CDABLO CC(C)(C)n1nnnc1C[N@@H+]1CCc2ccccc2C1 ZINC000020120917 358329133 /nfs/dbraw/zinc/32/91/33/358329133.db2.gz DZIQQRKCDBPMRX-UHFFFAOYSA-N 1 2 271.368 1.986 40 0 CDABLO CC(C)(C)n1nnnc1C[N@H+]1CCc2ccccc2C1 ZINC000020120917 358329135 /nfs/dbraw/zinc/32/91/35/358329135.db2.gz DZIQQRKCDBPMRX-UHFFFAOYSA-N 1 2 271.368 1.986 40 0 CDABLO NC(=O)c1cc(-n2cnnc2)ccc1[NH+]1CCCCC1 ZINC000226279778 283364111 /nfs/dbraw/zinc/36/41/11/283364111.db2.gz LOJCDZHPZNDGET-UHFFFAOYSA-N 1 2 271.324 1.357 40 0 CDABLO CS(=O)(=O)N1CCN(CC2CC2)c2[nH+]cccc2C1 ZINC000096060986 358707128 /nfs/dbraw/zinc/70/71/28/358707128.db2.gz DDKNKFRMNVIYFG-UHFFFAOYSA-N 1 2 281.381 1.073 40 0 CDABLO c1cn(C[C@H]2CC[C@H]3[C@@H]2OCC[N@@H+]3Cc2ccccn2)cn1 ZINC000096250227 358726569 /nfs/dbraw/zinc/72/65/69/358726569.db2.gz HYCNUIXRCHWTES-HYVNUMGLSA-N 1 2 298.390 1.958 40 0 CDABLO c1cn(C[C@H]2CC[C@H]3[C@@H]2OCC[N@H+]3Cc2ccccn2)cn1 ZINC000096250227 358726570 /nfs/dbraw/zinc/72/65/70/358726570.db2.gz HYCNUIXRCHWTES-HYVNUMGLSA-N 1 2 298.390 1.958 40 0 CDABLO COC(=O)[C@@H]1Cc2[nH]c[nH+]c2CN1C(=O)c1ccccc1 ZINC000015707116 284192614 /nfs/dbraw/zinc/19/26/14/284192614.db2.gz BROCUSLQCFJHJZ-ZDUSSCGKSA-N 1 2 285.303 1.150 40 0 biogenic,in-vitro CDABLO COC(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1C(=O)c1ccccc1 ZINC000015707116 284192617 /nfs/dbraw/zinc/19/26/17/284192617.db2.gz BROCUSLQCFJHJZ-ZDUSSCGKSA-N 1 2 285.303 1.150 40 0 biogenic,in-vitro CDABLO COc1ccc(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)cn1 ZINC000225512836 374627909 /nfs/dbraw/zinc/62/79/09/374627909.db2.gz BVWMUWMCYJZXMJ-VIFPVBQESA-N 1 2 272.308 1.557 40 0 CDABLO COc1ccc(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)cn1 ZINC000225512836 374627913 /nfs/dbraw/zinc/62/79/13/374627913.db2.gz BVWMUWMCYJZXMJ-VIFPVBQESA-N 1 2 272.308 1.557 40 0 CDABLO CCCn1cc(C[NH2+]Cc2ccn(CCF)n2)cn1 ZINC000256050798 190003310 /nfs/dbraw/zinc/00/33/10/190003310.db2.gz GOOBTFQWNPKBHB-UHFFFAOYSA-N 1 2 265.336 1.749 40 0 CDABLO Cc1cnn(C)c1C[NH2+]Cc1ccn(CC(C)C)n1 ZINC000256052537 190004206 /nfs/dbraw/zinc/00/42/06/190004206.db2.gz NSPSSQMBWIPMFY-UHFFFAOYSA-N 1 2 261.373 1.871 40 0 CDABLO CCCNC(=O)c1cc(C)nc([C@H]2CCC[N@@H+]2C)n1 ZINC000257230396 190016582 /nfs/dbraw/zinc/01/65/82/190016582.db2.gz GCDRLQDHPVPBNH-GFCCVEGCSA-N 1 2 262.357 1.692 40 0 CDABLO CCCNC(=O)c1cc(C)nc([C@H]2CCC[N@H+]2C)n1 ZINC000257230396 190016583 /nfs/dbraw/zinc/01/65/83/190016583.db2.gz GCDRLQDHPVPBNH-GFCCVEGCSA-N 1 2 262.357 1.692 40 0 CDABLO CCN(CC)c1cc(N2CCC[C@@H](O)C2)nc[nH+]1 ZINC000040434355 378072122 /nfs/dbraw/zinc/07/21/22/378072122.db2.gz IRJPKTCLIARWBE-LLVKDONJSA-N 1 2 250.346 1.284 40 0 CDABLO CCN(CC)c1cc(N2CCC[C@@H](O)C2)[nH+]cn1 ZINC000040434355 378072128 /nfs/dbraw/zinc/07/21/28/378072128.db2.gz IRJPKTCLIARWBE-LLVKDONJSA-N 1 2 250.346 1.284 40 0 CDABLO COc1cc(CNc2nc[nH+]c(C)c2OC)ccn1 ZINC000656106929 413023988 /nfs/dbraw/zinc/02/39/88/413023988.db2.gz AIYUGTNKRQAUMH-UHFFFAOYSA-N 1 2 260.297 1.809 40 0 CDABLO COc1ccc(SCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000020461445 171209687 /nfs/dbraw/zinc/20/96/87/171209687.db2.gz GAZMFVXOSGJWMM-UHFFFAOYSA-N 1 2 280.393 1.561 40 0 CDABLO Cc1c(C=O)c2ccccc2n1CC(=O)N1CC[NH+](C)CC1 ZINC000022238439 171380730 /nfs/dbraw/zinc/38/07/30/171380730.db2.gz AZAQVVAQRPXYJW-UHFFFAOYSA-N 1 2 299.374 1.536 40 0 CDABLO CC(=O)N1CCC[C@@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072378535 176385671 /nfs/dbraw/zinc/38/56/71/176385671.db2.gz CZJVIGQMGKWYLN-CYBMUJFWSA-N 1 2 256.309 1.951 40 0 CDABLO Cc1cc(C(=O)NC(C)C)nc([C@@H]2CCC[N@@H+]2C)n1 ZINC000072387046 176392660 /nfs/dbraw/zinc/39/26/60/176392660.db2.gz BYWVPASGHZAOSY-LBPRGKRZSA-N 1 2 262.357 1.690 40 0 CDABLO Cc1cc(C(=O)NC(C)C)nc([C@@H]2CCC[N@H+]2C)n1 ZINC000072387046 176392661 /nfs/dbraw/zinc/39/26/61/176392661.db2.gz BYWVPASGHZAOSY-LBPRGKRZSA-N 1 2 262.357 1.690 40 0 CDABLO O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000077875425 177306003 /nfs/dbraw/zinc/30/60/03/177306003.db2.gz JELLNDLCWPCIML-NSHDSACASA-N 1 2 299.330 1.560 40 0 CDABLO O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000077875425 177306005 /nfs/dbraw/zinc/30/60/05/177306005.db2.gz JELLNDLCWPCIML-NSHDSACASA-N 1 2 299.330 1.560 40 0 CDABLO O=C1CCC(=O)N1CCC1=[NH+]CCc2ccccc21 ZINC000005120949 260017023 /nfs/dbraw/zinc/01/70/23/260017023.db2.gz STRMUMWDCFPJNO-UHFFFAOYSA-N 1 2 256.305 1.571 40 0 CDABLO COC[C@H]1C[N@H+](Cc2cccnc2)Cc2ncn(C)c21 ZINC000096060195 277267786 /nfs/dbraw/zinc/26/77/86/277267786.db2.gz HRHBZTQRLBUGQI-CYBMUJFWSA-N 1 2 272.352 1.561 40 0 CDABLO COC[C@H]1C[N@@H+](Cc2cccnc2)Cc2ncn(C)c21 ZINC000096060195 277267787 /nfs/dbraw/zinc/26/77/87/277267787.db2.gz HRHBZTQRLBUGQI-CYBMUJFWSA-N 1 2 272.352 1.561 40 0 CDABLO Cc1noc([C@H]2CCCN(c3cc[nH+]c(C)n3)C2)n1 ZINC000072364324 279257653 /nfs/dbraw/zinc/25/76/53/279257653.db2.gz ZKVWIROOOBITAP-NSHDSACASA-N 1 2 259.313 1.860 40 0 CDABLO Cc1n[nH]c(C)c1NC(=O)C[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000075893549 293102192 /nfs/dbraw/zinc/10/21/92/293102192.db2.gz NXTRUMQQBFCORP-RKDXNWHRSA-N 1 2 282.413 1.791 40 0 CDABLO Nc1nc(N2CCOCC2)[nH+]cc1-c1ccccc1 ZINC000022126423 295368294 /nfs/dbraw/zinc/36/82/94/295368294.db2.gz KYBDDYIYRVVDQO-UHFFFAOYSA-N 1 2 256.309 1.562 40 0 CDABLO COC[C@H]1CN(Cc2ccco2)Cc2[nH+]cn(C)c21 ZINC000096060179 185080290 /nfs/dbraw/zinc/08/02/90/185080290.db2.gz VHPOWVLTZUYLPC-LLVKDONJSA-N 1 2 261.325 1.759 40 0 CDABLO COC[C@H]1C[N@H+](Cc2ccco2)Cc2ncn(C)c21 ZINC000096060179 185080291 /nfs/dbraw/zinc/08/02/91/185080291.db2.gz VHPOWVLTZUYLPC-LLVKDONJSA-N 1 2 261.325 1.759 40 0 CDABLO COC[C@H]1C[N@@H+](Cc2ccco2)Cc2ncn(C)c21 ZINC000096060179 185080293 /nfs/dbraw/zinc/08/02/93/185080293.db2.gz VHPOWVLTZUYLPC-LLVKDONJSA-N 1 2 261.325 1.759 40 0 CDABLO Cc1ccccc1C(=O)N1Cc2c(C[NH+](C)C)nn(C)c2C1 ZINC000096084443 185091761 /nfs/dbraw/zinc/09/17/61/185091761.db2.gz CXCUQGLIPFMZOI-UHFFFAOYSA-N 1 2 298.390 1.946 40 0 CDABLO COC[C@@H]1Cc2c([nH+]cn2C)CN1Cc1cc(C)n[nH]1 ZINC000585094556 342211156 /nfs/dbraw/zinc/21/11/56/342211156.db2.gz AXPFHRLKEITYOB-LBPRGKRZSA-N 1 2 275.356 1.025 40 0 CDABLO COC[C@@H]1Cc2c([nH+]cn2C)CN1Cc1cc(C)[nH]n1 ZINC000585094556 342211157 /nfs/dbraw/zinc/21/11/57/342211157.db2.gz AXPFHRLKEITYOB-LBPRGKRZSA-N 1 2 275.356 1.025 40 0 CDABLO CCC1(CC)C(=O)NC(=O)N(C[NH+]2CCCCC2)C1=O ZINC000031667063 282348789 /nfs/dbraw/zinc/34/87/89/282348789.db2.gz ZAGXCDCWYUJFQA-UHFFFAOYSA-N 1 2 281.356 1.315 40 0 CDABLO C[N@H+](Cc1ccc2ccccc2n1)[C@H]1CCS(=O)(=O)C1 ZINC000019586454 356492122 /nfs/dbraw/zinc/49/21/22/356492122.db2.gz YJVHFMUVUJPTDA-AWEZNQCLSA-N 1 2 290.388 1.854 40 0 CDABLO C[N@@H+](Cc1ccc2ccccc2n1)[C@H]1CCS(=O)(=O)C1 ZINC000019586454 356492125 /nfs/dbraw/zinc/49/21/25/356492125.db2.gz YJVHFMUVUJPTDA-AWEZNQCLSA-N 1 2 290.388 1.854 40 0 CDABLO Cc1[nH+]ccn1CCNC(=O)c1n[nH]c2ccc(C)cc21 ZINC000019657080 356494145 /nfs/dbraw/zinc/49/41/45/356494145.db2.gz AWEIGBPQKDMDPO-UHFFFAOYSA-N 1 2 283.335 1.806 40 0 CDABLO CCOC(=O)c1cn(C)nc1C[NH+]1CCCCCC1 ZINC000575441352 356807333 /nfs/dbraw/zinc/80/73/33/356807333.db2.gz FGAHDRPSUPFMKS-UHFFFAOYSA-N 1 2 265.357 1.973 40 0 CDABLO O=C(NCC[NH+]1CCOCC1)C1(c2ccccc2)CC1 ZINC000041510082 357039142 /nfs/dbraw/zinc/03/91/42/357039142.db2.gz XAKXPNGCEVYKIW-UHFFFAOYSA-N 1 2 274.364 1.167 40 0 CDABLO CCN(C)C(=O)[C@@H]1c2c(ncn2C)CC[N@@H+]1C(C)C ZINC000096264931 358730853 /nfs/dbraw/zinc/73/08/53/358730853.db2.gz FVQYHFLUBYULOR-ZDUSSCGKSA-N 1 2 264.373 1.206 40 0 CDABLO CCN(C)C(=O)[C@@H]1c2c(ncn2C)CC[N@H+]1C(C)C ZINC000096264931 358730857 /nfs/dbraw/zinc/73/08/57/358730857.db2.gz FVQYHFLUBYULOR-ZDUSSCGKSA-N 1 2 264.373 1.206 40 0 CDABLO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)NCC(F)(F)F)CCS1 ZINC000076073332 366967892 /nfs/dbraw/zinc/96/78/92/366967892.db2.gz JEMIXQRJLSFMKA-IUCAKERBSA-N 1 2 284.347 1.881 40 0 CDABLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)NCC(F)(F)F)CCS1 ZINC000076073332 366967898 /nfs/dbraw/zinc/96/78/98/366967898.db2.gz JEMIXQRJLSFMKA-IUCAKERBSA-N 1 2 284.347 1.881 40 0 CDABLO CC[NH+]1CCN(C(=O)c2cc(-c3ccco3)on2)CC1 ZINC000036148527 373956380 /nfs/dbraw/zinc/95/63/80/373956380.db2.gz KJBFORUOSIRDTF-UHFFFAOYSA-N 1 2 275.308 1.712 40 0 CDABLO CS(=O)(=O)N[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000131372849 375247036 /nfs/dbraw/zinc/24/70/36/375247036.db2.gz SSOGPJVUAUYKKB-JTQLQIEISA-N 1 2 294.380 1.081 40 0 CDABLO Cc1cn(C)c([C@@H]2CCN(S(=O)(=O)C3CCCC3)C2)[nH+]1 ZINC000257253834 190020793 /nfs/dbraw/zinc/02/07/93/190020793.db2.gz KAKYKXWGLHGOIL-GFCCVEGCSA-N 1 2 297.424 1.790 40 0 CDABLO Cc1[nH+]c2ccccn2c1CC(=O)NCc1cn(C)cn1 ZINC000257234478 190017346 /nfs/dbraw/zinc/01/73/46/190017346.db2.gz GTRAGJFKWJEQDC-UHFFFAOYSA-N 1 2 283.335 1.235 40 0 CDABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3c(C)noc3C)C2)[nH+]1 ZINC000257245524 190019472 /nfs/dbraw/zinc/01/94/72/190019472.db2.gz IPXWICRJYDCGQQ-GFCCVEGCSA-N 1 2 288.351 1.963 40 0 CDABLO CN(C)c1cc([C@H]2CCCN2C(=O)Cn2cccn2)cc[nH+]1 ZINC000257269130 190024342 /nfs/dbraw/zinc/02/43/42/190024342.db2.gz MORWWKUXYBKTID-CQSZACIVSA-N 1 2 299.378 1.708 40 0 CDABLO CCn1nc(C(=O)N2CC[C@@H](c3[nH]cc(C)[nH+]3)C2)cc1C ZINC000257291595 190028053 /nfs/dbraw/zinc/02/80/53/190028053.db2.gz QHSYFHRYGSYKQN-GFCCVEGCSA-N 1 2 287.367 1.873 40 0 CDABLO CCn1cc(C[NH2+]Cc2cc(C(F)(F)F)n(C)n2)cn1 ZINC000020349886 171155363 /nfs/dbraw/zinc/15/53/63/171155363.db2.gz OTVCZTFHFPRTIR-UHFFFAOYSA-N 1 2 287.289 1.945 40 0 CDABLO CNC(=O)[C@@]1(C)C[N@H+](Cc2ccc(F)c(F)c2)CCO1 ZINC000072379685 176386602 /nfs/dbraw/zinc/38/66/02/176386602.db2.gz XAAGDXLXAFSMMK-CQSZACIVSA-N 1 2 284.306 1.302 40 0 CDABLO CNC(=O)[C@@]1(C)C[N@@H+](Cc2ccc(F)c(F)c2)CCO1 ZINC000072379685 176386603 /nfs/dbraw/zinc/38/66/03/176386603.db2.gz XAAGDXLXAFSMMK-CQSZACIVSA-N 1 2 284.306 1.302 40 0 CDABLO CNc1cncc([C@@H]2CCC[N@@H+]2Cc2ccnc(C)n2)n1 ZINC000072385904 176391051 /nfs/dbraw/zinc/39/10/51/176391051.db2.gz KHOWEZKGGFODGN-AWEZNQCLSA-N 1 2 284.367 1.954 40 0 CDABLO CNc1cncc([C@@H]2CCC[N@H+]2Cc2ccnc(C)n2)n1 ZINC000072385904 176391052 /nfs/dbraw/zinc/39/10/52/176391052.db2.gz KHOWEZKGGFODGN-AWEZNQCLSA-N 1 2 284.367 1.954 40 0 CDABLO COCCN(Cc1ccccc1)C(=O)Cn1cc[nH+]c1 ZINC000078515658 177348901 /nfs/dbraw/zinc/34/89/01/177348901.db2.gz KVPCDPVLTYWMJF-UHFFFAOYSA-N 1 2 273.336 1.558 40 0 CDABLO COC[C@@H]1CCOC12C[NH+](Cc1ccc3c(c1)OCO3)C2 ZINC000247905405 277252725 /nfs/dbraw/zinc/25/27/25/277252725.db2.gz WZNTZVBTBBODIL-ZDUSSCGKSA-N 1 2 291.347 1.653 40 0 CDABLO O=C(c1ccco1)N1CC[C@@]2(CCn3cc[nH+]c32)C1 ZINC000306133181 304576390 /nfs/dbraw/zinc/57/63/90/304576390.db2.gz MEHDFTALVVDGBI-AWEZNQCLSA-N 1 2 257.293 1.664 40 0 CDABLO COC[C@@H]1CN(Cc2c(C)noc2C)Cc2[nH+]cn(C)c21 ZINC000096044752 185071718 /nfs/dbraw/zinc/07/17/18/185071718.db2.gz MLXVCDKPOPSKGV-LBPRGKRZSA-N 1 2 290.367 1.771 40 0 CDABLO COC[C@@H]1C[N@H+](Cc2c(C)noc2C)Cc2ncn(C)c21 ZINC000096044752 185071719 /nfs/dbraw/zinc/07/17/19/185071719.db2.gz MLXVCDKPOPSKGV-LBPRGKRZSA-N 1 2 290.367 1.771 40 0 CDABLO COC[C@@H]1C[N@@H+](Cc2c(C)noc2C)Cc2ncn(C)c21 ZINC000096044752 185071720 /nfs/dbraw/zinc/07/17/20/185071720.db2.gz MLXVCDKPOPSKGV-LBPRGKRZSA-N 1 2 290.367 1.771 40 0 CDABLO COC[C@H]1C[N@H+](Cc2ccsc2)Cc2nnn(C)c21 ZINC000096060598 185081138 /nfs/dbraw/zinc/08/11/38/185081138.db2.gz JGPZRSCOUHAUDO-LLVKDONJSA-N 1 2 278.381 1.622 40 0 CDABLO COC[C@H]1C[N@@H+](Cc2ccsc2)Cc2nnn(C)c21 ZINC000096060598 185081139 /nfs/dbraw/zinc/08/11/39/185081139.db2.gz JGPZRSCOUHAUDO-LLVKDONJSA-N 1 2 278.381 1.622 40 0 CDABLO COCc1nnc2n1CC[N@@H+](CC1=CCCOC1)[C@H]2C ZINC000585097234 342211794 /nfs/dbraw/zinc/21/17/94/342211794.db2.gz IUTPIRPPMLXKIY-NSHDSACASA-N 1 2 278.356 1.148 40 0 CDABLO COCc1nnc2n1CC[N@H+](CC1=CCCOC1)[C@H]2C ZINC000585097234 342211795 /nfs/dbraw/zinc/21/17/95/342211795.db2.gz IUTPIRPPMLXKIY-NSHDSACASA-N 1 2 278.356 1.148 40 0 CDABLO c1cc([C@@H]2COCC[N@H+]2CC2CCOCC2)n[nH]1 ZINC000257274204 362582523 /nfs/dbraw/zinc/58/25/23/362582523.db2.gz NJZHCYGBZSJLLF-ZDUSSCGKSA-N 1 2 251.330 1.210 40 0 CDABLO c1cc([C@@H]2COCC[N@@H+]2CC2CCOCC2)n[nH]1 ZINC000257274204 362582529 /nfs/dbraw/zinc/58/25/29/362582529.db2.gz NJZHCYGBZSJLLF-ZDUSSCGKSA-N 1 2 251.330 1.210 40 0 CDABLO C[NH+]1CCN(C(=O)c2cnn(-c3ccccc3)c2)CC1 ZINC000070271188 356875100 /nfs/dbraw/zinc/87/51/00/356875100.db2.gz ADNYBANKZVVTRL-UHFFFAOYSA-N 1 2 270.336 1.260 40 0 CDABLO CN(C)C(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)O1 ZINC000096186936 358715146 /nfs/dbraw/zinc/71/51/46/358715146.db2.gz IIPXDHDGFSKASO-UTUOFQBUSA-N 1 2 295.408 1.353 40 0 CDABLO CN(C)C(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)O1 ZINC000096186936 358715151 /nfs/dbraw/zinc/71/51/51/358715151.db2.gz IIPXDHDGFSKASO-UTUOFQBUSA-N 1 2 295.408 1.353 40 0 CDABLO O=C1CNc2nc[nH+]c(NCc3ccc4c(c3)OCO4)c2N1 ZINC000041121683 359684028 /nfs/dbraw/zinc/68/40/28/359684028.db2.gz RQXGXUIBEDRICL-UHFFFAOYSA-N 1 2 299.290 1.181 40 0 CDABLO O=C1CNc2[nH+]cnc(NCc3ccc4c(c3)OCO4)c2N1 ZINC000041121683 359684032 /nfs/dbraw/zinc/68/40/32/359684032.db2.gz RQXGXUIBEDRICL-UHFFFAOYSA-N 1 2 299.290 1.181 40 0 CDABLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1COc2ccccc2C1 ZINC000332846128 284236871 /nfs/dbraw/zinc/23/68/71/284236871.db2.gz HJNIRVMWGDEFAQ-STQMWFEESA-N 1 2 297.358 1.635 40 0 CDABLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1COc2ccccc2C1 ZINC000332846128 284236872 /nfs/dbraw/zinc/23/68/72/284236872.db2.gz HJNIRVMWGDEFAQ-STQMWFEESA-N 1 2 297.358 1.635 40 0 CDABLO Cc1nc(C(=O)N2CC[C@@]3(CCn4cc[nH+]c43)C2)cs1 ZINC000306123928 374968478 /nfs/dbraw/zinc/96/84/78/374968478.db2.gz BAUAHEWPJDIJLW-AWEZNQCLSA-N 1 2 288.376 1.836 40 0 CDABLO CNc1cc([C@H]2CCCN(C(=O)c3ccnn3C)C2)cc[nH+]1 ZINC000257246252 190019418 /nfs/dbraw/zinc/01/94/18/190019418.db2.gz ITHMDLUNEZRUJC-ZDUSSCGKSA-N 1 2 299.378 1.877 40 0 CDABLO CCCS(=O)(=O)N1CCC[C@H]1c1[nH]cc(C)[nH+]1 ZINC000257263794 190022014 /nfs/dbraw/zinc/02/20/14/190022014.db2.gz LRMUNFJOHBBPDH-JTQLQIEISA-N 1 2 257.359 1.595 40 0 CDABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3cnccn3)C2)[nH+]1 ZINC000257342065 190037355 /nfs/dbraw/zinc/03/73/55/190037355.db2.gz ZMYBRRGVYPWDCE-LLVKDONJSA-N 1 2 271.324 1.148 40 0 CDABLO c1nn(-c2ccccn2)c2nc[nH+]c(NC[C@H]3CCCO3)c12 ZINC000041529157 379392446 /nfs/dbraw/zinc/39/24/46/379392446.db2.gz CFFYFAZLQXTCHT-LLVKDONJSA-N 1 2 296.334 1.801 40 0 CDABLO Cc1ccc(C[N@H+]2C[C@H]3C[C@@H](C(=O)NC(C)C)[C@@H](C2)O3)o1 ZINC000248108655 390457584 /nfs/dbraw/zinc/45/75/84/390457584.db2.gz PVTCYFYVHZKHPO-RBSFLKMASA-N 1 2 292.379 1.702 40 0 CDABLO Cc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C(=O)NC(C)C)[C@@H](C2)O3)o1 ZINC000248108655 390457585 /nfs/dbraw/zinc/45/75/85/390457585.db2.gz PVTCYFYVHZKHPO-RBSFLKMASA-N 1 2 292.379 1.702 40 0 CDABLO S=C(NCCCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000006449084 170202209 /nfs/dbraw/zinc/20/22/09/170202209.db2.gz GZPLMIPKLHDXLY-XQQFMLRXSA-N 1 2 278.425 1.926 40 0 CDABLO NC(=O)C1CC[NH+](CC(=O)Nc2ccccc2Cl)CC1 ZINC000007435640 170284680 /nfs/dbraw/zinc/28/46/80/170284680.db2.gz ITPXBZOLNLMXFA-UHFFFAOYSA-N 1 2 295.770 1.476 40 0 CDABLO Cc1nc(NCc2cccnc2)cc([C@@H]2COCC[NH2+]2)n1 ZINC000072366277 176381410 /nfs/dbraw/zinc/38/14/10/176381410.db2.gz FLKXIWXADRQQMD-AWEZNQCLSA-N 1 2 285.351 1.453 40 0 CDABLO Cc1cc(N2CCC[C@H]2c2cc(=O)[nH]c(C)n2)nc[nH+]1 ZINC000072385560 176390609 /nfs/dbraw/zinc/39/06/09/176390609.db2.gz UOUVBQUEYBJNEJ-LBPRGKRZSA-N 1 2 271.324 1.518 40 0 CDABLO CC(C)(C)OC(=O)[C@@H]1C[NH2+]CCN1C(=O)OC(C)(C)C ZINC000059614036 278448469 /nfs/dbraw/zinc/44/84/69/278448469.db2.gz SOVFVZVAXJHGFT-JTQLQIEISA-N 1 2 286.372 1.537 40 0 CDABLO CNC(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3csc(C)n3)C[C@@H]2O1 ZINC000096043218 185070975 /nfs/dbraw/zinc/07/09/75/185070975.db2.gz AFDRWLUYQASCHI-UHTWSYAYSA-N 1 2 295.408 1.177 40 0 CDABLO CNC(=O)[C@H]1C[C@@H]2CC[N@@H+](Cc3csc(C)n3)C[C@@H]2O1 ZINC000096043218 185070977 /nfs/dbraw/zinc/07/09/77/185070977.db2.gz AFDRWLUYQASCHI-UHTWSYAYSA-N 1 2 295.408 1.177 40 0 CDABLO CO[C@H]1CCOC2(C[NH+](Cc3cccc(C)n3)C2)C1 ZINC000247860950 362136375 /nfs/dbraw/zinc/13/63/75/362136375.db2.gz GGILXRQPQSPMPP-AWEZNQCLSA-N 1 2 262.353 1.770 40 0 CDABLO Cc1nn(C)cc1C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130498748 282293755 /nfs/dbraw/zinc/29/37/55/282293755.db2.gz GLCBCHGHJVWOIX-CYBMUJFWSA-N 1 2 299.378 1.522 40 0 CDABLO CNc1cc([C@@H]2CCCN(S(C)(=O)=O)C2)cc[nH+]1 ZINC000205686872 348744036 /nfs/dbraw/zinc/74/40/36/348744036.db2.gz VIPMGRYBSIFBQI-LLVKDONJSA-N 1 2 269.370 1.262 40 0 CDABLO Fc1ccc(C(=S)NCC[NH+]2CCOCC2)cc1 ZINC000408574476 355999877 /nfs/dbraw/zinc/99/98/77/355999877.db2.gz RDHUODXYFKXJOS-UHFFFAOYSA-N 1 2 268.357 1.423 40 0 CDABLO c1cn([C@@H]2CO[C@]3(C2)CCCN(c2ncccn2)C3)c[nH+]1 ZINC000096048568 358706470 /nfs/dbraw/zinc/70/64/70/358706470.db2.gz RWBDHZRCUVBBBH-ZFWWWQNUSA-N 1 2 285.351 1.674 40 0 CDABLO CN(C)C(=O)c1[nH]nc2c1C[N@H+](Cc1ccsc1)CC2 ZINC000096187375 358715538 /nfs/dbraw/zinc/71/55/38/358715538.db2.gz ZAKWYYKNLLBBIF-UHFFFAOYSA-N 1 2 290.392 1.731 40 0 CDABLO CN(C)C(=O)c1[nH]nc2c1C[N@@H+](Cc1ccsc1)CC2 ZINC000096187375 358715539 /nfs/dbraw/zinc/71/55/39/358715539.db2.gz ZAKWYYKNLLBBIF-UHFFFAOYSA-N 1 2 290.392 1.731 40 0 CDABLO O=C(c1ccoc1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2CC1CC1 ZINC000096246459 358725409 /nfs/dbraw/zinc/72/54/09/358725409.db2.gz KRFDTTVLWYECKJ-KGLIPLIRSA-N 1 2 276.336 1.215 40 0 CDABLO O=C(c1ccoc1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2CC1CC1 ZINC000096246459 358725411 /nfs/dbraw/zinc/72/54/11/358725411.db2.gz KRFDTTVLWYECKJ-KGLIPLIRSA-N 1 2 276.336 1.215 40 0 CDABLO CN(C)Cc1nnn2c1C[N@H+](Cc1ccsc1)CCC2 ZINC000096259477 358728568 /nfs/dbraw/zinc/72/85/68/358728568.db2.gz SPQCXLYLNWWBCE-UHFFFAOYSA-N 1 2 291.424 1.807 40 0 CDABLO CN(C)Cc1nnn2c1C[N@@H+](Cc1ccsc1)CCC2 ZINC000096259477 358728571 /nfs/dbraw/zinc/72/85/71/358728571.db2.gz SPQCXLYLNWWBCE-UHFFFAOYSA-N 1 2 291.424 1.807 40 0 CDABLO O=C(C1CC[NH+]([C@@H]2CCOC2=O)CC1)N1CCCCC1 ZINC000071823788 358885634 /nfs/dbraw/zinc/88/56/34/358885634.db2.gz LRMDFLVTYXUABP-CYBMUJFWSA-N 1 2 280.368 1.026 40 0 CDABLO CC(C)CC(=O)Nc1c[nH+]c(N(C)C)nc1N(C)C ZINC000224347841 359224702 /nfs/dbraw/zinc/22/47/02/359224702.db2.gz XLUDXTDJCWLDCX-UHFFFAOYSA-N 1 2 265.361 1.593 40 0 CDABLO c1ccc2c(c1)nncc2NCC[NH+]1CCOCC1 ZINC000041123932 359685999 /nfs/dbraw/zinc/68/59/99/359685999.db2.gz AWSMNLDDNXLANI-UHFFFAOYSA-N 1 2 258.325 1.374 40 0 CDABLO CNC(=O)C1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000267206321 360431747 /nfs/dbraw/zinc/43/17/47/360431747.db2.gz KROMAFANKMXBDP-UHFFFAOYSA-N 1 2 270.336 1.592 40 0 CDABLO CC(=O)N[C@H]1C[C@@H](c2nc(-c3ccccc3)no2)[N@H+](C)C1 ZINC000012530061 367758337 /nfs/dbraw/zinc/75/83/37/367758337.db2.gz CIVKDVREUMIKCZ-STQMWFEESA-N 1 2 286.335 1.618 40 0 biogenic,in-vitro CDABLO CC(=O)N[C@H]1C[C@@H](c2nc(-c3ccccc3)no2)[N@@H+](C)C1 ZINC000012530061 367758345 /nfs/dbraw/zinc/75/83/45/367758345.db2.gz CIVKDVREUMIKCZ-STQMWFEESA-N 1 2 286.335 1.618 40 0 biogenic,in-vitro CDABLO CN1CC[NH+](C[C@@H](O)O[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)CC1 ZINC000041689822 372948866 /nfs/dbraw/zinc/94/88/66/372948866.db2.gz PIGQYKSQFRACBT-AIANPOQGSA-N 1 2 296.455 1.784 40 0 CDABLO COc1ccc(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)cn1 ZINC000225520269 374652270 /nfs/dbraw/zinc/65/22/70/374652270.db2.gz NSKONBPQWHPXHT-JTQLQIEISA-N 1 2 286.335 1.865 40 0 CDABLO COc1ccc(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)cn1 ZINC000225520269 374652279 /nfs/dbraw/zinc/65/22/79/374652279.db2.gz NSKONBPQWHPXHT-JTQLQIEISA-N 1 2 286.335 1.865 40 0 CDABLO CC(C)(C)OC(=O)N1Cc2c[nH+]cn2[C@H](CO)C1 ZINC000306133263 374969428 /nfs/dbraw/zinc/96/94/28/374969428.db2.gz MGVAHVDXZOOZIU-JTQLQIEISA-N 1 2 253.302 1.167 40 0 CDABLO Cc1nccc([C@@H]2CN(Cc3c[nH+]c[nH]3)CCO2)n1 ZINC000257266265 190023235 /nfs/dbraw/zinc/02/32/35/190023235.db2.gz MCFLOMZFKAULJO-ZDUSSCGKSA-N 1 2 259.313 1.082 40 0 CDABLO Cc1nccc([C@@H]2CN(Cc3c[nH]c[nH+]3)CCO2)n1 ZINC000257266265 190023236 /nfs/dbraw/zinc/02/32/36/190023236.db2.gz MCFLOMZFKAULJO-ZDUSSCGKSA-N 1 2 259.313 1.082 40 0 CDABLO Nc1cc[nH+]c2[nH]cc(I)c21 ZINC000044713361 295365704 /nfs/dbraw/zinc/36/57/04/295365704.db2.gz SFPSSODDVODIGF-UHFFFAOYSA-N 1 2 259.050 1.750 40 0 CDABLO Cc1cccc(C[C@@H]2COCC[N@H+](Cc3cnc[nH]3)C2)n1 ZINC000072388160 176393453 /nfs/dbraw/zinc/39/34/53/176393453.db2.gz SNJLXZYYVHZRHA-AWEZNQCLSA-N 1 2 286.379 1.804 40 0 CDABLO Cc1cccc(C[C@@H]2COCC[N@@H+](Cc3cnc[nH]3)C2)n1 ZINC000072388160 176393454 /nfs/dbraw/zinc/39/34/54/176393454.db2.gz SNJLXZYYVHZRHA-AWEZNQCLSA-N 1 2 286.379 1.804 40 0 CDABLO COc1ccc(CSCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000008091763 261387448 /nfs/dbraw/zinc/38/74/48/261387448.db2.gz PHMWEACVUJZCFX-UHFFFAOYSA-N 1 2 294.420 1.702 40 0 CDABLO Cc1ccc(O[C@@H](C)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000048090281 327277693 /nfs/dbraw/zinc/27/76/93/327277693.db2.gz QVXPBEVQVWNCNG-AWEZNQCLSA-N 1 2 292.379 1.211 40 0 CDABLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccccc1 ZINC000382701625 943941486 /nfs/dbraw/zinc/94/14/86/943941486.db2.gz OTGDNZWKSLJDNY-QKDCVEJESA-N 1 2 275.348 1.839 40 0 CDABLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccccc1 ZINC000382701625 943941489 /nfs/dbraw/zinc/94/14/89/943941489.db2.gz OTGDNZWKSLJDNY-QKDCVEJESA-N 1 2 275.348 1.839 40 0 CDABLO c1coc(C[N@H+]2CCO[C@@H]3[C@@H](Cn4cnnc4)CC[C@@H]32)c1 ZINC000096055357 185076467 /nfs/dbraw/zinc/07/64/67/185076467.db2.gz IBYCUDIKUZWKGW-VHDGCEQUSA-N 1 2 288.351 1.551 40 0 CDABLO c1coc(C[N@@H+]2CCO[C@@H]3[C@@H](Cn4cnnc4)CC[C@@H]32)c1 ZINC000096055357 185076469 /nfs/dbraw/zinc/07/64/69/185076469.db2.gz IBYCUDIKUZWKGW-VHDGCEQUSA-N 1 2 288.351 1.551 40 0 CDABLO CCOC[C@H]1CN(C(=O)C2=CCCC2)Cc2[nH+]cn(C)c21 ZINC000096068626 185085653 /nfs/dbraw/zinc/08/56/53/185085653.db2.gz IGBMZSNGEUGRFI-CYBMUJFWSA-N 1 2 289.379 1.993 40 0 CDABLO COC[C@H](C)NC(=O)c1nc2c(o1)CC[N@H+](CC(C)C)C2 ZINC000585112517 342213560 /nfs/dbraw/zinc/21/35/60/342213560.db2.gz QRDSNBMRBCYQAL-NSHDSACASA-N 1 2 295.383 1.453 40 0 CDABLO COC[C@H](C)NC(=O)c1nc2c(o1)CC[N@@H+](CC(C)C)C2 ZINC000585112517 342213561 /nfs/dbraw/zinc/21/35/61/342213561.db2.gz QRDSNBMRBCYQAL-NSHDSACASA-N 1 2 295.383 1.453 40 0 CDABLO CO[C@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@]12CCCO2 ZINC000585288899 342258790 /nfs/dbraw/zinc/25/87/90/342258790.db2.gz LCGZBRGKZJYBMM-CSDYLXSXSA-N 1 2 291.351 1.219 40 0 CDABLO Cc1cc(N2CCO[C@@H](CCc3ccncn3)C2)nc[nH+]1 ZINC000257213954 362577773 /nfs/dbraw/zinc/57/77/73/362577773.db2.gz CJVLLSUVIYEGGE-AWEZNQCLSA-N 1 2 285.351 1.413 40 0 CDABLO CCS(=O)(=O)N(C)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257223139 362578214 /nfs/dbraw/zinc/57/82/14/362578214.db2.gz DWBLIFAXAZGZQT-GFCCVEGCSA-N 1 2 283.397 1.332 40 0 CDABLO CC(=O)Nc1ccc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000012146527 356288971 /nfs/dbraw/zinc/28/89/71/356288971.db2.gz WMKCQTBCYURHDM-CQSZACIVSA-N 1 2 296.392 1.264 40 0 CDABLO CC(=O)Nc1ccc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000012146527 356288975 /nfs/dbraw/zinc/28/89/75/356288975.db2.gz WMKCQTBCYURHDM-CQSZACIVSA-N 1 2 296.392 1.264 40 0 CDABLO Nc1ccc(Cl)c(NC(=O)C[NH+]2CCCC2)c1 ZINC000013609275 356350477 /nfs/dbraw/zinc/35/04/77/356350477.db2.gz XSHGJZKGXGKLKK-UHFFFAOYSA-N 1 2 253.733 1.957 40 0 CDABLO Cc1cc(C(F)F)nn1[C@@H](C)C(=O)NCc1[nH+]ccn1C ZINC000019119088 356475395 /nfs/dbraw/zinc/47/53/95/356475395.db2.gz LMXSYOHQIRFQLZ-VIFPVBQESA-N 1 2 297.309 1.740 40 0 CDABLO CC(C)c1nnc([C@H]2COCCN2Cc2c[nH+]cn2C)o1 ZINC000328771877 202048819 /nfs/dbraw/zinc/04/88/19/202048819.db2.gz RHUUXEWHYDSCKS-GFCCVEGCSA-N 1 2 291.355 1.500 40 0 CDABLO CC[N@H+]1Cc2c(cc3c(c2OC)OCO3)[C@H](O)C1 ZINC000095470445 358694205 /nfs/dbraw/zinc/69/42/05/358694205.db2.gz CJIOKXRWNAKGOD-SNVBAGLBSA-N 1 2 251.282 1.293 40 0 CDABLO CC[N@@H+]1Cc2c(cc3c(c2OC)OCO3)[C@H](O)C1 ZINC000095470445 358694208 /nfs/dbraw/zinc/69/42/08/358694208.db2.gz CJIOKXRWNAKGOD-SNVBAGLBSA-N 1 2 251.282 1.293 40 0 CDABLO c1cn([C@@H]2CO[C@@]3(C2)CCCN(c2ncccn2)C3)c[nH+]1 ZINC000096048569 358706567 /nfs/dbraw/zinc/70/65/67/358706567.db2.gz RWBDHZRCUVBBBH-DZGCQCFKSA-N 1 2 285.351 1.674 40 0 CDABLO CN(C)C(=O)c1n[nH]c2c1C[N@H+](Cc1ccccc1)CC2 ZINC000096187380 358714970 /nfs/dbraw/zinc/71/49/70/358714970.db2.gz FXKRVLVWXWBFFV-UHFFFAOYSA-N 1 2 284.363 1.670 40 0 CDABLO CN(C)C(=O)c1n[nH]c2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000096187380 358714972 /nfs/dbraw/zinc/71/49/72/358714972.db2.gz FXKRVLVWXWBFFV-UHFFFAOYSA-N 1 2 284.363 1.670 40 0 CDABLO COC[C@@H]1Cn2cc[nH+]c2CN(C(=O)NC2CCCC2)C1 ZINC000096187786 358715549 /nfs/dbraw/zinc/71/55/49/358715549.db2.gz RXUKXAAOSOUEKS-GFCCVEGCSA-N 1 2 292.383 1.614 40 0 CDABLO COC[C@H]1Cn2cc[nH+]c2CN(C(=O)NC2CCCC2)C1 ZINC000096187787 358715561 /nfs/dbraw/zinc/71/55/61/358715561.db2.gz RXUKXAAOSOUEKS-LBPRGKRZSA-N 1 2 292.383 1.614 40 0 CDABLO Cc1cc(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)no1 ZINC000130382156 359955740 /nfs/dbraw/zinc/95/57/40/359955740.db2.gz IRAWSXSWCLMZHH-LBPRGKRZSA-N 1 2 286.335 1.777 40 0 CDABLO CCn1nc(C)c(C[NH2+]Cc2ccn(CCF)n2)c1F ZINC000256053597 190005008 /nfs/dbraw/zinc/00/50/08/190005008.db2.gz SAZNQFOIROPXQC-UHFFFAOYSA-N 1 2 283.326 1.806 40 0 CDABLO CC(=O)N1CCC[C@@H]1c1cccc(C[NH+]2CCOCC2)n1 ZINC000257227720 190015274 /nfs/dbraw/zinc/01/52/74/190015274.db2.gz FQPQVGZOMLJQJF-MRXNPFEDSA-N 1 2 289.379 1.597 40 0 CDABLO Cc1cc(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)no1 ZINC000257299638 190028898 /nfs/dbraw/zinc/02/88/98/190028898.db2.gz RQWPBQMZAIJGER-STQMWFEESA-N 1 2 252.314 1.099 40 0 CDABLO CNc1cc([C@H]2CCC[N@@H+]2Cc2ccnn2C)nc(C)n1 ZINC000257313738 190031973 /nfs/dbraw/zinc/03/19/73/190031973.db2.gz UTXKHRKRZSKSOO-CQSZACIVSA-N 1 2 286.383 1.897 40 0 CDABLO CNc1cc([C@H]2CCC[N@H+]2Cc2ccnn2C)nc(C)n1 ZINC000257313738 190031974 /nfs/dbraw/zinc/03/19/74/190031974.db2.gz UTXKHRKRZSKSOO-CQSZACIVSA-N 1 2 286.383 1.897 40 0 CDABLO Cc1ccnc([C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)n1 ZINC000257328084 190034583 /nfs/dbraw/zinc/03/45/83/190034583.db2.gz XEAWEZDGSXKDFA-ZDUSSCGKSA-N 1 2 285.351 1.388 40 0 CDABLO CC(=O)N1CCN(c2[nH+]cc([C@@H](C)O)cc2C)CC1 ZINC000072222689 390623947 /nfs/dbraw/zinc/62/39/47/390623947.db2.gz HSNKQTXNXMYOOI-LLVKDONJSA-N 1 2 263.341 1.112 40 0 CDABLO C[C@H]1c2[nH+]cc(Cn3cccn3)n2CCN1c1ncccn1 ZINC000096062051 390912271 /nfs/dbraw/zinc/91/22/71/390912271.db2.gz MEZACCIEUMKEPZ-LBPRGKRZSA-N 1 2 295.350 1.499 40 0 CDABLO Cc1cc(C)nc([C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)n1 ZINC000072369713 176384122 /nfs/dbraw/zinc/38/41/22/176384122.db2.gz RCDWTRBELIXRFD-CQSZACIVSA-N 1 2 299.378 1.696 40 0 CDABLO COC(=O)C[C@@H](C(=O)OC)[N@@H+]1CCc2ccccc2C1 ZINC000072415053 176399479 /nfs/dbraw/zinc/39/94/79/176399479.db2.gz VXDQHCKJIPITJT-ZDUSSCGKSA-N 1 2 277.320 1.149 40 0 CDABLO COC(=O)C[C@@H](C(=O)OC)[N@H+]1CCc2ccccc2C1 ZINC000072415053 176399480 /nfs/dbraw/zinc/39/94/80/176399480.db2.gz VXDQHCKJIPITJT-ZDUSSCGKSA-N 1 2 277.320 1.149 40 0 CDABLO COc1ccc([C@H]([NH3+])c2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC000095533738 185007635 /nfs/dbraw/zinc/00/76/35/185007635.db2.gz PYWSDXLDABYWSV-NEPJUHHUSA-N 1 2 274.324 1.713 40 0 CDABLO O=C1NCC[C@@]12C[N@@H+](Cc1ccncc1)CC(F)(F)C2 ZINC000585093251 342210913 /nfs/dbraw/zinc/21/09/13/342210913.db2.gz LSJYHRSYOACLAK-CYBMUJFWSA-N 1 2 281.306 1.429 40 0 CDABLO O=C1NCC[C@@]12C[N@H+](Cc1ccncc1)CC(F)(F)C2 ZINC000585093251 342210914 /nfs/dbraw/zinc/21/09/14/342210914.db2.gz LSJYHRSYOACLAK-CYBMUJFWSA-N 1 2 281.306 1.429 40 0 CDABLO O[C@@H]1C[N@H+](Cc2ncc[nH]2)CC[C@@H]1Cc1cccc(F)c1 ZINC000585277749 342256441 /nfs/dbraw/zinc/25/64/41/342256441.db2.gz KXXNQXGJQBJRFI-UKRRQHHQSA-N 1 2 289.354 1.974 40 0 CDABLO O[C@@H]1C[N@@H+](Cc2ncc[nH]2)CC[C@@H]1Cc1cccc(F)c1 ZINC000585277749 342256442 /nfs/dbraw/zinc/25/64/42/342256442.db2.gz KXXNQXGJQBJRFI-UKRRQHHQSA-N 1 2 289.354 1.974 40 0 CDABLO CCOCC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000131240616 136388895 /nfs/dbraw/zinc/38/88/95/136388895.db2.gz UORYIEPWUVOFHV-LBPRGKRZSA-N 1 2 263.341 1.203 40 0 CDABLO O=C1CO[C@H]2CN(Cc3[nH]cc[nH+]3)C[C@@H]2N1c1ccccc1 ZINC000213615893 344397230 /nfs/dbraw/zinc/39/72/30/344397230.db2.gz XLPVEGYDYXSLLX-KBPBESRZSA-N 1 2 298.346 1.026 40 0 CDABLO COC(=O)[C@H]1C[C@H](OC(F)(F)C(F)(F)F)C[NH2+]1 ZINC000091252436 180114911 /nfs/dbraw/zinc/11/49/11/180114911.db2.gz LUZWKJBKRPZRDY-CRCLSJGQSA-N 1 2 263.162 1.062 40 0 CDABLO Cc1nc(C[N@H+]2CC[C@@H]3[C@H]2CC(=O)N3C)cs1 ZINC000107251995 186164428 /nfs/dbraw/zinc/16/44/28/186164428.db2.gz MVFCLHUYVCCOFD-GHMZBOCLSA-N 1 2 251.355 1.257 40 0 CDABLO Cc1nc(C[N@@H+]2CC[C@@H]3[C@H]2CC(=O)N3C)cs1 ZINC000107251995 186164430 /nfs/dbraw/zinc/16/44/30/186164430.db2.gz MVFCLHUYVCCOFD-GHMZBOCLSA-N 1 2 251.355 1.257 40 0 CDABLO Cc1cc(Cl)ccc1C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000136218970 187871705 /nfs/dbraw/zinc/87/17/05/187871705.db2.gz WLNMXNCDKWDIHJ-CYBMUJFWSA-N 1 2 279.771 1.858 40 0 CDABLO Cc1cc(Cl)ccc1C[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000136218970 187871707 /nfs/dbraw/zinc/87/17/07/187871707.db2.gz WLNMXNCDKWDIHJ-CYBMUJFWSA-N 1 2 279.771 1.858 40 0 CDABLO O=C(Nc1ccccc1)OCC[NH+]1CCOCC1 ZINC000031628355 356767948 /nfs/dbraw/zinc/76/79/48/356767948.db2.gz NIVHRRRPBOPZAX-UHFFFAOYSA-N 1 2 250.298 1.567 40 0 CDABLO CN(C)C(=O)c1[nH]nc2c1C[N@H+](Cc1ccccn1)CC2 ZINC000096187384 357282069 /nfs/dbraw/zinc/28/20/69/357282069.db2.gz RNIWNSOPNQSEOE-UHFFFAOYSA-N 1 2 285.351 1.065 40 0 CDABLO CN(C)C(=O)c1[nH]nc2c1C[N@@H+](Cc1ccccn1)CC2 ZINC000096187384 357282072 /nfs/dbraw/zinc/28/20/72/357282072.db2.gz RNIWNSOPNQSEOE-UHFFFAOYSA-N 1 2 285.351 1.065 40 0 CDABLO C[NH+](C)Cc1n[nH]c2c1CCN(C(=O)c1cccnc1)C2 ZINC000096255838 358728765 /nfs/dbraw/zinc/72/87/65/358728765.db2.gz LIZIKUQSEXGQHG-UHFFFAOYSA-N 1 2 285.351 1.065 40 0 CDABLO COC(=O)[C@@H]1Cc2[nH]c[nH+]c2CN1C(=O)c1cccs1 ZINC000012530370 284192710 /nfs/dbraw/zinc/19/27/10/284192710.db2.gz QBYDIUFLMUERFJ-JTQLQIEISA-N 1 2 291.332 1.211 40 0 biogenic,in-vitro CDABLO COC(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1C(=O)c1cccs1 ZINC000012530370 284192714 /nfs/dbraw/zinc/19/27/14/284192714.db2.gz QBYDIUFLMUERFJ-JTQLQIEISA-N 1 2 291.332 1.211 40 0 biogenic,in-vitro CDABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N(C1CC1)C1COC1 ZINC000295767841 371446514 /nfs/dbraw/zinc/44/65/14/371446514.db2.gz OWKOTXBNBAGBFM-UHFFFAOYSA-N 1 2 297.358 1.935 40 0 CDABLO Cc1nccc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)n1 ZINC000257258579 190021919 /nfs/dbraw/zinc/02/19/19/190021919.db2.gz KUQHRENSRJSYQQ-LBPRGKRZSA-N 1 2 257.341 1.888 40 0 CDABLO Cc1nccc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)n1 ZINC000257258579 190021920 /nfs/dbraw/zinc/02/19/20/190021920.db2.gz KUQHRENSRJSYQQ-LBPRGKRZSA-N 1 2 257.341 1.888 40 0 CDABLO CC(C)n1ccnc1C[NH+]1CCC2(CC1)OCCC[C@H]2O ZINC000257280396 190025761 /nfs/dbraw/zinc/02/57/61/190025761.db2.gz OKRBRNNZXFKNOY-CQSZACIVSA-N 1 2 293.411 1.970 40 0 CDABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3cscn3)C2)[nH+]1 ZINC000257344883 190037659 /nfs/dbraw/zinc/03/76/59/190037659.db2.gz ZZANYZKXHPVCMX-SNVBAGLBSA-N 1 2 276.365 1.815 40 0 CDABLO O=C1CNc2nc[nH+]c(NCCc3ccccc3F)c2N1 ZINC000041121609 379334438 /nfs/dbraw/zinc/33/44/38/379334438.db2.gz MZNQYTFRWMSJJF-UHFFFAOYSA-N 1 2 287.298 1.634 40 0 CDABLO O=C1CNc2[nH+]cnc(NCCc3ccccc3F)c2N1 ZINC000041121609 379334444 /nfs/dbraw/zinc/33/44/44/379334444.db2.gz MZNQYTFRWMSJJF-UHFFFAOYSA-N 1 2 287.298 1.634 40 0 CDABLO NC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccncc1 ZINC000119808092 390858348 /nfs/dbraw/zinc/85/83/48/390858348.db2.gz NDEOWGMPHPYTFR-OAHLLOKOSA-N 1 2 267.332 1.494 40 0 CDABLO NC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccncc1 ZINC000119808092 390858349 /nfs/dbraw/zinc/85/83/49/390858349.db2.gz NDEOWGMPHPYTFR-OAHLLOKOSA-N 1 2 267.332 1.494 40 0 CDABLO O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1CCc1ccccc1 ZINC000286075008 391573299 /nfs/dbraw/zinc/57/32/99/391573299.db2.gz VRSKHYUYZZWDMZ-ZDUSSCGKSA-N 1 2 284.319 1.115 40 0 CDABLO O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1CCc1ccccc1 ZINC000286075008 391573304 /nfs/dbraw/zinc/57/33/04/391573304.db2.gz VRSKHYUYZZWDMZ-ZDUSSCGKSA-N 1 2 284.319 1.115 40 0 CDABLO CCN(CCc1nc(N)nc(N)[nH+]1)c1ccccc1 ZINC000006241769 170184829 /nfs/dbraw/zinc/18/48/29/170184829.db2.gz SROXQQNVJHWIAQ-UHFFFAOYSA-N 1 2 258.329 1.105 40 0 CDABLO CCN1CNC(Nc2nc(C)c3cccc(C)c3n2)=[NH+]C1 ZINC000020634340 171268375 /nfs/dbraw/zinc/26/83/75/171268375.db2.gz IBFSLGXKVDOVBP-UHFFFAOYSA-N 1 2 284.367 1.855 40 0 CDABLO CC(=O)N1CCC[C@H]1c1nccnc1-n1cc[nH+]c1 ZINC000072359244 176377072 /nfs/dbraw/zinc/37/70/72/176377072.db2.gz JVXNZFCGCUEPKY-NSHDSACASA-N 1 2 257.297 1.346 40 0 CDABLO Brc1ccc2c(c1)OC[C@@]21COCC[NH2+]1 ZINC000306145710 276768140 /nfs/dbraw/zinc/76/81/40/276768140.db2.gz OHBSTKHTYIBYMN-NSHDSACASA-N 1 2 270.126 1.657 40 0 CDABLO [O-][n+]1nc(-n2cc[nH+]c2)nc2cc(Cl)c(Cl)cc21 ZINC000255188750 534974992 /nfs/dbraw/zinc/97/49/92/534974992.db2.gz LHLZQMVULOCIEW-UHFFFAOYSA-N 1 2 282.090 1.756 40 0 CDABLO c1cnn(Cc2cn3c(n2)C[N@@H+](Cc2cccnc2)CC3)c1 ZINC000096044212 185070030 /nfs/dbraw/zinc/07/00/30/185070030.db2.gz BGXPEPLZJOLUPA-UHFFFAOYSA-N 1 2 294.362 1.539 40 0 CDABLO c1cnn(Cc2cn3c(n2)C[N@H+](Cc2cccnc2)CC3)c1 ZINC000096044212 185070032 /nfs/dbraw/zinc/07/00/32/185070032.db2.gz BGXPEPLZJOLUPA-UHFFFAOYSA-N 1 2 294.362 1.539 40 0 CDABLO O=C(c1ccco1)N1CCn2c(Cn3cccn3)c[nH+]c2C1 ZINC000096061812 185082543 /nfs/dbraw/zinc/08/25/43/185082543.db2.gz ZXELJPYGNCQCBQ-UHFFFAOYSA-N 1 2 297.318 1.377 40 0 CDABLO O=C(c1ccoc1)N1CCn2c(Cn3cccn3)c[nH+]c2C1 ZINC000096061813 185083121 /nfs/dbraw/zinc/08/31/21/185083121.db2.gz VBAIECYSPFKBHZ-UHFFFAOYSA-N 1 2 297.318 1.377 40 0 CDABLO Cc1c[nH]c([C@@H]2CN(c3cc(C)[nH+]cn3)CCO2)n1 ZINC000585181431 342232667 /nfs/dbraw/zinc/23/26/67/342232667.db2.gz KGUDFVHLFFPMCD-NSHDSACASA-N 1 2 259.313 1.394 40 0 CDABLO C[C@H](CO)[N@H+](Cc1nsc(N(C)C)n1)C1CCCC1 ZINC000329931815 362095974 /nfs/dbraw/zinc/09/59/74/362095974.db2.gz IKNUVJKXLXHFGU-SNVBAGLBSA-N 1 2 284.429 1.730 40 0 CDABLO C[C@H](CO)[N@@H+](Cc1nsc(N(C)C)n1)C1CCCC1 ZINC000329931815 362095976 /nfs/dbraw/zinc/09/59/76/362095976.db2.gz IKNUVJKXLXHFGU-SNVBAGLBSA-N 1 2 284.429 1.730 40 0 CDABLO Cc1cnc(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)cn1 ZINC000130617150 136388723 /nfs/dbraw/zinc/38/87/23/136388723.db2.gz ZPWABKLXMHWPOJ-CYBMUJFWSA-N 1 2 297.362 1.579 40 0 CDABLO Cc1ncsc1C[N@@H+]1CCO[C@](C)(C(=O)N(C)C)C1 ZINC000257211662 362578347 /nfs/dbraw/zinc/57/83/47/362578347.db2.gz BZUASKHIQOMGLY-ZDUSSCGKSA-N 1 2 283.397 1.131 40 0 CDABLO Cc1ncsc1C[N@H+]1CCO[C@](C)(C(=O)N(C)C)C1 ZINC000257211662 362578348 /nfs/dbraw/zinc/57/83/48/362578348.db2.gz BZUASKHIQOMGLY-ZDUSSCGKSA-N 1 2 283.397 1.131 40 0 CDABLO O=C(c1ccco1)N1CCO[C@@H](Cn2cc[nH+]c2)C1 ZINC000019342147 356481344 /nfs/dbraw/zinc/48/13/44/356481344.db2.gz NHPMZYLDGHKYSS-NSHDSACASA-N 1 2 261.281 1.017 40 0 CDABLO Cn1cc([C@@H]2CN(C(=O)OC(C)(C)C)CC[NH2+]2)cn1 ZINC000095348275 358682537 /nfs/dbraw/zinc/68/25/37/358682537.db2.gz QHVMMVTUNRJUHT-NSHDSACASA-N 1 2 266.345 1.302 40 0 CDABLO c1cnn(C[C@@H]2Cn3cc[nH+]c3CN(c3ncccn3)C2)c1 ZINC000096188553 358715353 /nfs/dbraw/zinc/71/53/53/358715353.db2.gz ZMVSFCIWMQVEHZ-CYBMUJFWSA-N 1 2 295.350 1.206 40 0 CDABLO CCOCc1noc2c1CN(Cc1[nH+]ccn1C)CC2 ZINC000096260004 358729502 /nfs/dbraw/zinc/72/95/02/358729502.db2.gz ZVTOOZZNDQVAHA-UHFFFAOYSA-N 1 2 276.340 1.503 40 0 CDABLO CN(C)c1[nH+]cccc1N(C)S(=O)(=O)Cc1ccon1 ZINC000080279881 359693699 /nfs/dbraw/zinc/69/36/99/359693699.db2.gz INTGHYXKSGVRCM-UHFFFAOYSA-N 1 2 296.352 1.102 40 0 CDABLO Cn1cc[nH+]c1CN1CCO[C@@H](Cc2ccccc2)C1 ZINC000181548318 189300533 /nfs/dbraw/zinc/30/05/33/189300533.db2.gz HZJKGANPYJOQQY-HNNXBMFYSA-N 1 2 271.364 1.864 40 0 CDABLO Cc1nccc(N2CC[NH+](Cc3ccc(CO)o3)CC2)n1 ZINC000273776201 365523216 /nfs/dbraw/zinc/52/32/16/365523216.db2.gz RVCZBLDRWANJET-UHFFFAOYSA-N 1 2 288.351 1.193 40 0 CDABLO CC(=O)N[C@H]1C[C@@H](c2nc(-c3cccnc3)no2)[N@H+](C)C1 ZINC000012529853 367744942 /nfs/dbraw/zinc/74/49/42/367744942.db2.gz FICYPESHIKJHLU-RYUDHWBXSA-N 1 2 287.323 1.013 40 0 biogenic,in-vitro CDABLO CC(=O)N[C@H]1C[C@@H](c2nc(-c3cccnc3)no2)[N@@H+](C)C1 ZINC000012529853 367744948 /nfs/dbraw/zinc/74/49/48/367744948.db2.gz FICYPESHIKJHLU-RYUDHWBXSA-N 1 2 287.323 1.013 40 0 biogenic,in-vitro CDABLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1CCCO1)C2 ZINC000225516778 374647552 /nfs/dbraw/zinc/64/75/52/374647552.db2.gz ZWSDWXVUDPAPAN-MNOVXSKESA-N 1 2 263.341 1.118 40 0 CDABLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CCCO1)CC2 ZINC000225516778 374647556 /nfs/dbraw/zinc/64/75/56/374647556.db2.gz ZWSDWXVUDPAPAN-MNOVXSKESA-N 1 2 263.341 1.118 40 0 CDABLO COC(=O)[C@@H]1CC[N@H+](Cc2ncc(C)o2)C[C@@H]1C ZINC000225600754 375169482 /nfs/dbraw/zinc/16/94/82/375169482.db2.gz QXPDCAIHWBUQQB-GXSJLCMTSA-N 1 2 252.314 1.614 40 0 CDABLO COC(=O)[C@@H]1CC[N@@H+](Cc2ncc(C)o2)C[C@@H]1C ZINC000225600754 375169488 /nfs/dbraw/zinc/16/94/88/375169488.db2.gz QXPDCAIHWBUQQB-GXSJLCMTSA-N 1 2 252.314 1.614 40 0 CDABLO Cc1cc[nH+]cc1N1CCN(C(=O)c2ccoc2)CC1 ZINC000225598939 375170158 /nfs/dbraw/zinc/17/01/58/375170158.db2.gz AZQUKTHWABOAIW-UHFFFAOYSA-N 1 2 271.320 1.945 40 0 CDABLO Oc1ccc(N2CC[NH+](Cc3ccno3)CC2)cc1 ZINC000057303606 375412382 /nfs/dbraw/zinc/41/23/82/375412382.db2.gz VJZFLCDTGFEZHT-UHFFFAOYSA-N 1 2 259.309 1.702 40 0 CDABLO Cc1c(C[NH2+]Cc2ccn(CC(C)C)n2)cnn1C ZINC000256053442 190004871 /nfs/dbraw/zinc/00/48/71/190004871.db2.gz RMDYFNUIKDYPDP-UHFFFAOYSA-N 1 2 261.373 1.871 40 0 CDABLO CC(C)n1nccc1C[NH2+]Cc1ccn(CCF)n1 ZINC000256050527 190003258 /nfs/dbraw/zinc/00/32/58/190003258.db2.gz FJJNIIACKIMCHM-UHFFFAOYSA-N 1 2 265.336 1.920 40 0 CDABLO Cc1cccc(OC[C@H]2C[N@H+](CCO)CCO2)c1 ZINC000217489239 375657464 /nfs/dbraw/zinc/65/74/64/375657464.db2.gz MFZCJBASDQQOPZ-CQSZACIVSA-N 1 2 251.326 1.067 40 0 CDABLO Cc1cccc(OC[C@H]2C[N@@H+](CCO)CCO2)c1 ZINC000217489239 375657475 /nfs/dbraw/zinc/65/74/75/375657475.db2.gz MFZCJBASDQQOPZ-CQSZACIVSA-N 1 2 251.326 1.067 40 0 CDABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3cncs3)C2)[nH+]1 ZINC000257207368 190011155 /nfs/dbraw/zinc/01/11/55/190011155.db2.gz BHLPGLSDXFBFKO-SNVBAGLBSA-N 1 2 276.365 1.815 40 0 CDABLO C[C@]1(O)CC[N@H+](Cc2c[nH]cn2)C[C@@H]1Oc1ccccc1 ZINC000257211606 190012571 /nfs/dbraw/zinc/01/25/71/190012571.db2.gz BZNBPLWDQKBCFF-HOTGVXAUSA-N 1 2 287.363 1.814 40 0 CDABLO C[C@]1(O)CC[N@@H+](Cc2c[nH]cn2)C[C@@H]1Oc1ccccc1 ZINC000257211606 190012572 /nfs/dbraw/zinc/01/25/72/190012572.db2.gz BZNBPLWDQKBCFF-HOTGVXAUSA-N 1 2 287.363 1.814 40 0 CDABLO C[C@]1(O)CC[N@H+](Cc2cnc[nH]2)C[C@@H]1Oc1ccccc1 ZINC000257211606 190012573 /nfs/dbraw/zinc/01/25/73/190012573.db2.gz BZNBPLWDQKBCFF-HOTGVXAUSA-N 1 2 287.363 1.814 40 0 CDABLO C[C@]1(O)CC[N@@H+](Cc2cnc[nH]2)C[C@@H]1Oc1ccccc1 ZINC000257211606 190012574 /nfs/dbraw/zinc/01/25/74/190012574.db2.gz BZNBPLWDQKBCFF-HOTGVXAUSA-N 1 2 287.363 1.814 40 0 CDABLO Cc1c[nH]c([C@@H]2COCCN2CC2(O)CCCCC2)[nH+]1 ZINC000257243903 190018771 /nfs/dbraw/zinc/01/87/71/190018771.db2.gz IJAXPQXQKXXTCW-ZDUSSCGKSA-N 1 2 279.384 1.787 40 0 CDABLO Cc1c[nH]c([C@H]2CCCN(S(=O)(=O)C(C)C)C2)[nH+]1 ZINC000257286170 190027146 /nfs/dbraw/zinc/02/71/46/190027146.db2.gz PKOUEOSJROLPGD-NSHDSACASA-N 1 2 271.386 1.636 40 0 CDABLO CCCn1cc[nH+]c1CN1CCO[C@H](c2nc(C)c[nH]2)C1 ZINC000257272793 190024445 /nfs/dbraw/zinc/02/44/45/190024445.db2.gz NDXJPNJGYYVMSZ-ZDUSSCGKSA-N 1 2 289.383 1.898 40 0 CDABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3ccncc3)C2)[nH+]1 ZINC000257293227 190028372 /nfs/dbraw/zinc/02/83/72/190028372.db2.gz QOPYNOFXVDHSDL-LBPRGKRZSA-N 1 2 256.309 1.743 40 0 CDABLO Cn1c[nH+]c(CNC(=O)c2ccc(-c3cncnc3)nc2)c1 ZINC000257307921 190031132 /nfs/dbraw/zinc/03/11/32/190031132.db2.gz TUSTUPLPLLDPNR-UHFFFAOYSA-N 1 2 294.318 1.202 40 0 CDABLO Cc1[nH+]c[nH]c1CN1CCO[C@H](c2cnc(C)cn2)C1 ZINC000257318043 190032530 /nfs/dbraw/zinc/03/25/30/190032530.db2.gz VMFOTFAQNIHMTJ-AWEZNQCLSA-N 1 2 273.340 1.390 40 0 CDABLO Cc1cnc([C@@H]2CN(Cc3[nH]cc[nH+]3)CCO2)cn1 ZINC000257340590 190037316 /nfs/dbraw/zinc/03/73/16/190037316.db2.gz ZGUVWPTYAJINJO-LBPRGKRZSA-N 1 2 259.313 1.082 40 0 CDABLO CC(=O)N1CCCC[C@@H]1CCc1cnc(-n2cc[nH+]c2)cn1 ZINC000072364808 176380082 /nfs/dbraw/zinc/38/00/82/176380082.db2.gz UMQFIROHJUHYJX-OAHLLOKOSA-N 1 2 299.378 1.996 40 0 CDABLO Cc1nc(-c2ccc(CO)cc2)cc([C@H]2COCC[NH2+]2)n1 ZINC000072366362 176381205 /nfs/dbraw/zinc/38/12/05/176381205.db2.gz BTBRHWONLGDKIM-MRXNPFEDSA-N 1 2 285.347 1.605 40 0 CDABLO CS(=O)(=O)N1CCC[C@@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072378740 176385971 /nfs/dbraw/zinc/38/59/71/176385971.db2.gz SHDBKGVEEOMJMN-GFCCVEGCSA-N 1 2 292.364 1.364 40 0 CDABLO c1cnn(Cc2cnc3n2CC[N@@H+](Cc2cccnc2)C3)c1 ZINC000096061810 185082600 /nfs/dbraw/zinc/08/26/00/185082600.db2.gz NNMHSOVMTNNCJZ-UHFFFAOYSA-N 1 2 294.362 1.539 40 0 CDABLO c1cnn(Cc2cnc3n2CC[N@H+](Cc2cccnc2)C3)c1 ZINC000096061810 185082602 /nfs/dbraw/zinc/08/26/02/185082602.db2.gz NNMHSOVMTNNCJZ-UHFFFAOYSA-N 1 2 294.362 1.539 40 0 CDABLO COC[C@@H]1CN(Cc2cc(C)on2)Cc2[nH+]cn(C)c21 ZINC000096068609 185085563 /nfs/dbraw/zinc/08/55/63/185085563.db2.gz ZEMGBCZMUQHSCX-NSHDSACASA-N 1 2 276.340 1.462 40 0 CDABLO Cc1cc(N2CCC[C@H](Cc3cc[nH]n3)C2)nc[nH+]1 ZINC000257310937 362586012 /nfs/dbraw/zinc/58/60/12/362586012.db2.gz UHGISWHLQSZMGJ-GFCCVEGCSA-N 1 2 257.341 1.967 40 0 CDABLO Cn1ccnc1C[N@@H+]1CC[C@H]2[C@H]1CC(=O)N2CC1CC1 ZINC000107800121 186191329 /nfs/dbraw/zinc/19/13/29/186191329.db2.gz NDEZZGGSZOCGCU-QWHCGFSZSA-N 1 2 274.368 1.005 40 0 CDABLO Cn1ccnc1C[N@H+]1CC[C@H]2[C@H]1CC(=O)N2CC1CC1 ZINC000107800121 186191331 /nfs/dbraw/zinc/19/13/31/186191331.db2.gz NDEZZGGSZOCGCU-QWHCGFSZSA-N 1 2 274.368 1.005 40 0 CDABLO CC(=O)N1CCO[C@H]2CC[N@H+](Cc3nc(C)cs3)C[C@@H]21 ZINC000108528420 186220419 /nfs/dbraw/zinc/22/04/19/186220419.db2.gz HBTTYQUNTHAFQP-STQMWFEESA-N 1 2 295.408 1.273 40 0 CDABLO CC(=O)N1CCO[C@H]2CC[N@@H+](Cc3nc(C)cs3)C[C@@H]21 ZINC000108528420 186220421 /nfs/dbraw/zinc/22/04/21/186220421.db2.gz HBTTYQUNTHAFQP-STQMWFEESA-N 1 2 295.408 1.273 40 0 CDABLO Cc1cc(C(F)F)nn1CC(=O)NCc1[nH+]ccn1C ZINC000019119259 356475861 /nfs/dbraw/zinc/47/58/61/356475861.db2.gz GCBDVCYCXYPYEO-UHFFFAOYSA-N 1 2 283.282 1.179 40 0 CDABLO CSc1c2c(cc3c1[C@@H](O)C[N@H+](C)C3)OCO2 ZINC000095470385 358694111 /nfs/dbraw/zinc/69/41/11/358694111.db2.gz JOOCHUYALOAHKN-QMMMGPOBSA-N 1 2 253.323 1.616 40 0 CDABLO CSc1c2c(cc3c1[C@@H](O)C[N@@H+](C)C3)OCO2 ZINC000095470385 358694113 /nfs/dbraw/zinc/69/41/13/358694113.db2.gz JOOCHUYALOAHKN-QMMMGPOBSA-N 1 2 253.323 1.616 40 0 CDABLO CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000023633514 359253431 /nfs/dbraw/zinc/25/34/31/359253431.db2.gz OFEYQVJHAZFCJS-CQSZACIVSA-N 1 2 279.380 1.882 40 0 in-vivo CDABLO O=S1(=O)C=C[C@H]([NH2+]Cc2ccccc2Cl)C1 ZINC000082343731 359770157 /nfs/dbraw/zinc/77/01/57/359770157.db2.gz QZTBVPCKKTXBQS-JTQLQIEISA-N 1 2 257.742 1.740 40 0 CDABLO CCNc1nc(N2CCCC2)[nH+]c(N2CCCC2)n1 ZINC000000818584 364240573 /nfs/dbraw/zinc/24/05/73/364240573.db2.gz ATMSQCJMOKLYRD-UHFFFAOYSA-N 1 2 262.361 1.504 40 0 CDABLO O=C(NCCc1ccncc1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000225511231 374625779 /nfs/dbraw/zinc/62/57/79/374625779.db2.gz NLDRMCYJODOFNF-LBPRGKRZSA-N 1 2 270.336 1.269 40 0 CDABLO O=C(NCCc1ccncc1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000225511231 374625783 /nfs/dbraw/zinc/62/57/83/374625783.db2.gz NLDRMCYJODOFNF-LBPRGKRZSA-N 1 2 270.336 1.269 40 0 CDABLO O=C(NCCc1ccncc1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000225511199 374626871 /nfs/dbraw/zinc/62/68/71/374626871.db2.gz NLDRMCYJODOFNF-GFCCVEGCSA-N 1 2 270.336 1.269 40 0 CDABLO O=C(NCCc1ccncc1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000225511199 374626881 /nfs/dbraw/zinc/62/68/81/374626881.db2.gz NLDRMCYJODOFNF-GFCCVEGCSA-N 1 2 270.336 1.269 40 0 CDABLO CNc1ncccc1C[N@@H+]1CCO[C@H](Cc2cccnc2)C1 ZINC000257208274 190012403 /nfs/dbraw/zinc/01/24/03/190012403.db2.gz BLKXYNPLTIIVTO-MRXNPFEDSA-N 1 2 298.390 1.962 40 0 CDABLO CNc1ncccc1C[N@H+]1CCO[C@H](Cc2cccnc2)C1 ZINC000257208274 190012404 /nfs/dbraw/zinc/01/24/04/190012404.db2.gz BLKXYNPLTIIVTO-MRXNPFEDSA-N 1 2 298.390 1.962 40 0 CDABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CC[N@H+](Cc2ccco2)C1 ZINC000257212598 190013371 /nfs/dbraw/zinc/01/33/71/190013371.db2.gz CEDCSSGXZNMTGA-SNVBAGLBSA-N 1 2 295.364 1.396 40 0 CDABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CC[N@@H+](Cc2ccco2)C1 ZINC000257212598 190013372 /nfs/dbraw/zinc/01/33/72/190013372.db2.gz CEDCSSGXZNMTGA-SNVBAGLBSA-N 1 2 295.364 1.396 40 0 CDABLO Cc1c[nH]c([C@@H]2CCN(C(=O)CCc3ccnn3C)C2)[nH+]1 ZINC000257219418 190013796 /nfs/dbraw/zinc/01/37/96/190013796.db2.gz DGSIKBUEOGZOSA-GFCCVEGCSA-N 1 2 287.367 1.400 40 0 CDABLO COc1ncccc1C(=O)N1CC[C@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257236998 190017918 /nfs/dbraw/zinc/01/79/18/190017918.db2.gz HETVBFXYIRTROY-NSHDSACASA-N 1 2 286.335 1.751 40 0 CDABLO Cc1cn(C)c([C@H]2CCN(C(=O)Cc3cccnc3)C2)[nH+]1 ZINC000257238958 190017989 /nfs/dbraw/zinc/01/79/89/190017989.db2.gz HNGGMAVESXTAOA-AWEZNQCLSA-N 1 2 284.363 1.682 40 0 CDABLO Cc1cc(=O)[nH]c([C@H]2C[N@@H+](C3CCOCC3)CCO2)n1 ZINC000257280880 190025390 /nfs/dbraw/zinc/02/53/90/190025390.db2.gz OMTWBAVQQQDZQC-GFCCVEGCSA-N 1 2 279.340 1.043 40 0 CDABLO Cc1cc(=O)[nH]c([C@H]2C[N@H+](C3CCOCC3)CCO2)n1 ZINC000257280880 190025391 /nfs/dbraw/zinc/02/53/91/190025391.db2.gz OMTWBAVQQQDZQC-GFCCVEGCSA-N 1 2 279.340 1.043 40 0 CDABLO Cc1c[nH]c([C@H]2CCN(C(=O)c3ccc(C)[nH]c3=O)C2)[nH+]1 ZINC000257288256 190026685 /nfs/dbraw/zinc/02/66/85/190026685.db2.gz PTNKPNVMKQUZKI-NSHDSACASA-N 1 2 286.335 1.757 40 0 CDABLO Cc1c[nH]c([C@@H]2CCN(C(=O)c3ccc(C)[nH]c3=O)C2)[nH+]1 ZINC000257288255 190026730 /nfs/dbraw/zinc/02/67/30/190026730.db2.gz PTNKPNVMKQUZKI-LLVKDONJSA-N 1 2 286.335 1.757 40 0 CDABLO Cc1nc[nH]c1C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000257325115 190034137 /nfs/dbraw/zinc/03/41/37/190034137.db2.gz WRNGRVYYCWAWDP-LBPRGKRZSA-N 1 2 257.341 1.888 40 0 CDABLO Cc1nc[nH]c1C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000257325115 190034138 /nfs/dbraw/zinc/03/41/38/190034138.db2.gz WRNGRVYYCWAWDP-LBPRGKRZSA-N 1 2 257.341 1.888 40 0 CDABLO CC(C)(O)c1cc(CC2([NH2+]Cc3ccco3)COC2)no1 ZINC000067897917 377285986 /nfs/dbraw/zinc/28/59/86/377285986.db2.gz YBWORCXWQYDEFP-UHFFFAOYSA-N 1 2 292.335 1.596 40 0 biogenic,in-vitro CDABLO COC[C@@H]1C[N@H+](Cc2ccccn2)Cc2cn(C)nc21 ZINC000096059814 285301043 /nfs/dbraw/zinc/30/10/43/285301043.db2.gz XFCZRINGXKTPIA-ZDUSSCGKSA-N 1 2 272.352 1.561 40 0 CDABLO COC[C@@H]1C[N@@H+](Cc2ccccn2)Cc2cn(C)nc21 ZINC000096059814 285301045 /nfs/dbraw/zinc/30/10/45/285301045.db2.gz XFCZRINGXKTPIA-ZDUSSCGKSA-N 1 2 272.352 1.561 40 0 CDABLO CN(C)C(=O)[C@H]1C[N@H+](Cc2ccsc2)Cc2ccnn21 ZINC000247986582 391424811 /nfs/dbraw/zinc/42/48/11/391424811.db2.gz KRLFRMLQIOKIJH-CYBMUJFWSA-N 1 2 290.392 1.590 40 0 CDABLO CN(C)C(=O)[C@H]1C[N@@H+](Cc2ccsc2)Cc2ccnn21 ZINC000247986582 391424816 /nfs/dbraw/zinc/42/48/16/391424816.db2.gz KRLFRMLQIOKIJH-CYBMUJFWSA-N 1 2 290.392 1.590 40 0 CDABLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCOCC1 ZINC000038832757 174157054 /nfs/dbraw/zinc/15/70/54/174157054.db2.gz NLHLJRIYISEAKL-UHFFFAOYSA-N 1 2 271.320 1.404 40 0 CDABLO Cc1nccc(C2CC[NH+](Cc3ncc[nH]3)CC2)n1 ZINC000072356519 176375743 /nfs/dbraw/zinc/37/57/43/176375743.db2.gz SXILSLDSXSCHHH-UHFFFAOYSA-N 1 2 257.341 1.888 40 0 CDABLO CC(=O)N1CCC[C@H](c2cncc(-c3ccc(N)[nH+]c3)n2)C1 ZINC000072359322 176377152 /nfs/dbraw/zinc/37/71/52/176377152.db2.gz VENXUMFKYUMQBK-ZDUSSCGKSA-N 1 2 297.362 1.847 40 0 CDABLO Cc1nc(Nc2nncs2)cc([C@@H]2CCC[NH2+]2)n1 ZINC000072382165 176387961 /nfs/dbraw/zinc/38/79/61/176387961.db2.gz CRAOBURNXKDNBM-QMMMGPOBSA-N 1 2 262.342 1.805 40 0 CDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2ccsc2)[nH+]1 ZINC000257320044 301025407 /nfs/dbraw/zinc/02/54/07/301025407.db2.gz VVCMFLFMTDKQNT-LLVKDONJSA-N 1 2 277.349 1.993 40 0 CDABLO CCOC[C@H]1C[N@H+](Cc2ccccn2)Cc2nn(C)cc21 ZINC000096060389 185081951 /nfs/dbraw/zinc/08/19/51/185081951.db2.gz IGDOVYDWSHLJOI-CYBMUJFWSA-N 1 2 286.379 1.951 40 0 CDABLO CCOC[C@H]1C[N@@H+](Cc2ccccn2)Cc2nn(C)cc21 ZINC000096060389 185081953 /nfs/dbraw/zinc/08/19/53/185081953.db2.gz IGDOVYDWSHLJOI-CYBMUJFWSA-N 1 2 286.379 1.951 40 0 CDABLO c1cnn(Cc2cnc3n2CC[N@@H+](Cc2ccncc2)C3)c1 ZINC000096061811 185082862 /nfs/dbraw/zinc/08/28/62/185082862.db2.gz JYQCOTFQMUUNOS-UHFFFAOYSA-N 1 2 294.362 1.539 40 0 CDABLO c1cnn(Cc2cnc3n2CC[N@H+](Cc2ccncc2)C3)c1 ZINC000096061811 185082863 /nfs/dbraw/zinc/08/28/63/185082863.db2.gz JYQCOTFQMUUNOS-UHFFFAOYSA-N 1 2 294.362 1.539 40 0 CDABLO CNc1cc([C@@H]2CCC[N@@H+]2Cc2ccn(C)n2)ccn1 ZINC000585181501 342232673 /nfs/dbraw/zinc/23/26/73/342232673.db2.gz RIMLACXIZDJZQB-AWEZNQCLSA-N 1 2 271.368 1.616 40 0 CDABLO CNc1cc([C@@H]2CCC[N@H+]2Cc2ccn(C)n2)ccn1 ZINC000585181501 342232674 /nfs/dbraw/zinc/23/26/74/342232674.db2.gz RIMLACXIZDJZQB-AWEZNQCLSA-N 1 2 271.368 1.616 40 0 CDABLO Cc1nc(N2CCC[C@@H](Cc3cc[nH]n3)C2)cc[nH+]1 ZINC000257291314 362583417 /nfs/dbraw/zinc/58/34/17/362583417.db2.gz QGLQVINNAHMLNL-LBPRGKRZSA-N 1 2 257.341 1.967 40 0 CDABLO CCCS(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccccc1OC ZINC000257304323 362584020 /nfs/dbraw/zinc/58/40/20/362584020.db2.gz SLBKHJODYCPYCQ-CYBMUJFWSA-N 1 2 298.408 1.381 40 0 CDABLO O=C(Nc1nccs1)[C@@H]1CN(c2cccc[nH+]2)CCO1 ZINC000257331918 362587026 /nfs/dbraw/zinc/58/70/26/362587026.db2.gz XUWMLMPBMREIGQ-JTQLQIEISA-N 1 2 290.348 1.382 40 0 CDABLO CCOc1ccc(C(=S)NCC[NH+]2CCOCC2)cc1 ZINC000408576203 356000878 /nfs/dbraw/zinc/00/08/78/356000878.db2.gz VVVAPOPSAJITBZ-UHFFFAOYSA-N 1 2 294.420 1.683 40 0 CDABLO Nc1c2ccccc2oc(=O)c1C[NH+]1CCOCC1 ZINC000003850684 356010995 /nfs/dbraw/zinc/01/09/95/356010995.db2.gz ZTOBTUIXFMEFGO-UHFFFAOYSA-N 1 2 260.293 1.207 40 0 CDABLO Cc1[nH]c2ccc(NC(=O)Cn3nc(C)ccc3=O)cc2[nH+]1 ZINC000019131132 356475816 /nfs/dbraw/zinc/47/58/16/356475816.db2.gz LLRSFWOJUCGJSU-UHFFFAOYSA-N 1 2 297.318 1.375 40 0 CDABLO COc1cccc(C[N@@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)c1 ZINC000013565506 366479257 /nfs/dbraw/zinc/47/92/57/366479257.db2.gz DFZDRFGKADJFDP-LBPRGKRZSA-N 1 2 298.408 1.161 40 0 CDABLO COc1cccc(C[N@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)c1 ZINC000013565506 366479260 /nfs/dbraw/zinc/47/92/60/366479260.db2.gz DFZDRFGKADJFDP-LBPRGKRZSA-N 1 2 298.408 1.161 40 0 CDABLO CC[NH+](CC)c1ccc(N)cc1C(=O)N1CCOCC1 ZINC000226323958 360692231 /nfs/dbraw/zinc/69/22/31/360692231.db2.gz FSUJFTKLQQFLIA-UHFFFAOYSA-N 1 2 277.368 1.587 40 0 CDABLO CCCS(=O)(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000166174369 364892471 /nfs/dbraw/zinc/89/24/71/364892471.db2.gz VSRFXGNDCWGCNY-GFCCVEGCSA-N 1 2 283.397 1.380 40 0 CDABLO COc1cccnc1NC(=S)NCCCn1cc[nH+]c1 ZINC000225522525 189755377 /nfs/dbraw/zinc/75/53/77/189755377.db2.gz WTDAJRIVUHHAII-UHFFFAOYSA-N 1 2 291.380 1.663 40 0 CDABLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccccn1)C2 ZINC000225517900 374647451 /nfs/dbraw/zinc/64/74/51/374647451.db2.gz VRPRQIDFPIDAPO-JTQLQIEISA-N 1 2 256.309 1.857 40 0 CDABLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccccn1)CC2 ZINC000225517900 374647454 /nfs/dbraw/zinc/64/74/54/374647454.db2.gz VRPRQIDFPIDAPO-JTQLQIEISA-N 1 2 256.309 1.857 40 0 CDABLO CCOC[C@H]1CN(Cc2cc(C)nn2C)Cc2c[nH+]cn21 ZINC000306139054 374970488 /nfs/dbraw/zinc/97/04/88/374970488.db2.gz SODTZGGZAYKZFE-OAHLLOKOSA-N 1 2 289.383 1.518 40 0 CDABLO C[NH+]1CCN(C(=O)[C@]2(C)CC(c3cccs3)=NO2)CC1 ZINC000226747909 375393477 /nfs/dbraw/zinc/39/34/77/375393477.db2.gz JMITWINUUSYITK-AWEZNQCLSA-N 1 2 293.392 1.405 40 0 CDABLO Cn1cc(C[NH2+]Cc2ccn(CC(F)F)n2)cn1 ZINC000256054581 190005512 /nfs/dbraw/zinc/00/55/12/190005512.db2.gz WWOPDIYTZYUGDK-UHFFFAOYSA-N 1 2 255.272 1.172 40 0 CDABLO CNc1cc([C@H]2CCC[N@@H+]2Cc2cc[nH]n2)nc(C)n1 ZINC000257233532 190016864 /nfs/dbraw/zinc/01/68/64/190016864.db2.gz GPQCPRDEUVYHSE-CYBMUJFWSA-N 1 2 272.356 1.887 40 0 CDABLO CNc1cc([C@H]2CCC[N@H+]2Cc2cc[nH]n2)nc(C)n1 ZINC000257233532 190016865 /nfs/dbraw/zinc/01/68/65/190016865.db2.gz GPQCPRDEUVYHSE-CYBMUJFWSA-N 1 2 272.356 1.887 40 0 CDABLO CNc1cc([C@H]2CCCN2Cc2cc[nH]n2)[nH+]c(C)n1 ZINC000257233532 190016866 /nfs/dbraw/zinc/01/68/66/190016866.db2.gz GPQCPRDEUVYHSE-CYBMUJFWSA-N 1 2 272.356 1.887 40 0 CDABLO CNc1cc([C@@H]2CCCN(C(=O)c3ccnn3C)C2)cc[nH+]1 ZINC000257246251 190019574 /nfs/dbraw/zinc/01/95/74/190019574.db2.gz ITHMDLUNEZRUJC-CYBMUJFWSA-N 1 2 299.378 1.877 40 0 CDABLO Cc1[nH+]c[nH]c1CN1CCO[C@@H](c2nccc(C)n2)C1 ZINC000257264058 190022518 /nfs/dbraw/zinc/02/25/18/190022518.db2.gz LSSPTFLSXUVCKU-CYBMUJFWSA-N 1 2 273.340 1.390 40 0 CDABLO CN(C)c1cc([C@@H]2CCCN2C(=O)c2ccnn2C)cc[nH+]1 ZINC000257269150 190024345 /nfs/dbraw/zinc/02/43/45/190024345.db2.gz MOTPYZVEVZGWQF-ZDUSSCGKSA-N 1 2 299.378 1.858 40 0 CDABLO CNc1cc([C@@H]2CCCN(C(=O)c3ccn(C)n3)C2)cc[nH+]1 ZINC000257339518 190037069 /nfs/dbraw/zinc/03/70/69/190037069.db2.gz ZCBFNHALEUZCSR-CYBMUJFWSA-N 1 2 299.378 1.877 40 0 CDABLO CCCNC(=O)CN1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000281100247 195103837 /nfs/dbraw/zinc/10/38/37/195103837.db2.gz VWWKOGSLEIUJBZ-CYBMUJFWSA-N 1 2 278.400 1.956 40 0 CDABLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCc2ccccc2O1 ZINC000333117917 391855990 /nfs/dbraw/zinc/85/59/90/391855990.db2.gz HSPJXJLXTDXVGZ-LRDDRELGSA-N 1 2 297.358 1.777 40 0 CDABLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCc2ccccc2O1 ZINC000333117917 391855996 /nfs/dbraw/zinc/85/59/96/391855996.db2.gz HSPJXJLXTDXVGZ-LRDDRELGSA-N 1 2 297.358 1.777 40 0 CDABLO O=C1CC[NH2+][C@H](c2cccc(Br)c2)N1 ZINC000209247185 392701661 /nfs/dbraw/zinc/70/16/61/392701661.db2.gz BQWZBWMOQDKFRG-JTQLQIEISA-N 1 2 255.115 1.557 40 0 CDABLO COc1cc(N)cc(Cl)c1N1CC[NH+](C)CC1 ZINC000045885992 286227782 /nfs/dbraw/zinc/22/77/82/286227782.db2.gz PYGVWDWYNLSTAG-UHFFFAOYSA-N 1 2 255.749 1.683 40 0 CDABLO NC(=O)[C@H]1CCCC[N@@H+]1CC(=O)NCCC1=CCCCC1 ZINC000044871271 175268497 /nfs/dbraw/zinc/26/84/97/175268497.db2.gz KDTZEJJUMIRRHC-CQSZACIVSA-N 1 2 293.411 1.333 40 0 CDABLO NC(=O)[C@H]1CCCC[N@H+]1CC(=O)NCCC1=CCCCC1 ZINC000044871271 175268498 /nfs/dbraw/zinc/26/84/98/175268498.db2.gz KDTZEJJUMIRRHC-CQSZACIVSA-N 1 2 293.411 1.333 40 0 CDABLO CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000072351372 176374508 /nfs/dbraw/zinc/37/45/08/176374508.db2.gz YIRHFBLWYFYVIX-CQSZACIVSA-N 1 2 299.378 1.844 40 0 CDABLO CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@H+]1Cc1cccnc1 ZINC000072351372 176374510 /nfs/dbraw/zinc/37/45/10/176374510.db2.gz YIRHFBLWYFYVIX-CQSZACIVSA-N 1 2 299.378 1.844 40 0 CDABLO Cn1nnc2c1CC[N@H+](C)[C@H]2COCc1ccccc1 ZINC000096045322 185071382 /nfs/dbraw/zinc/07/13/82/185071382.db2.gz ZEUJLWXSISGZBZ-AWEZNQCLSA-N 1 2 272.352 1.561 40 0 CDABLO Cn1nnc2c1CC[N@@H+](C)[C@H]2COCc1ccccc1 ZINC000096045322 185071384 /nfs/dbraw/zinc/07/13/84/185071384.db2.gz ZEUJLWXSISGZBZ-AWEZNQCLSA-N 1 2 272.352 1.561 40 0 CDABLO CCOC[C@@H]1Cn2ccnc2C[N@H+](Cc2cnn(C)c2)C1 ZINC000096059117 185079429 /nfs/dbraw/zinc/07/94/29/185079429.db2.gz WERPHNOSRVUEAV-AWEZNQCLSA-N 1 2 289.383 1.285 40 0 CDABLO CCOC[C@@H]1Cn2ccnc2C[N@@H+](Cc2cnn(C)c2)C1 ZINC000096059117 185079430 /nfs/dbraw/zinc/07/94/30/185079430.db2.gz WERPHNOSRVUEAV-AWEZNQCLSA-N 1 2 289.383 1.285 40 0 CDABLO O=C1NCC[C@]12C[N@@H+](Cc1ccncc1)CC(F)(F)C2 ZINC000585093252 342211003 /nfs/dbraw/zinc/21/10/03/342211003.db2.gz LSJYHRSYOACLAK-ZDUSSCGKSA-N 1 2 281.306 1.429 40 0 CDABLO O=C1NCC[C@]12C[N@H+](Cc1ccncc1)CC(F)(F)C2 ZINC000585093252 342211004 /nfs/dbraw/zinc/21/10/04/342211004.db2.gz LSJYHRSYOACLAK-ZDUSSCGKSA-N 1 2 281.306 1.429 40 0 CDABLO C[N@H+]1Cc2ccnn2[C@H](CCNC(=O)c2ccco2)C1 ZINC000585112677 342213504 /nfs/dbraw/zinc/21/35/04/342213504.db2.gz VEERSAWKSOIYTM-LLVKDONJSA-N 1 2 274.324 1.283 40 0 CDABLO C[N@@H+]1Cc2ccnn2[C@H](CCNC(=O)c2ccco2)C1 ZINC000585112677 342213505 /nfs/dbraw/zinc/21/35/05/342213505.db2.gz VEERSAWKSOIYTM-LLVKDONJSA-N 1 2 274.324 1.283 40 0 CDABLO Cc1[nH+]c2ccccn2c1CC(=O)NCCc1ccccn1 ZINC000585171869 342231646 /nfs/dbraw/zinc/23/16/46/342231646.db2.gz IXQHYCWHRCWXFH-UHFFFAOYSA-N 1 2 294.358 1.939 40 0 CDABLO CO[C@]1(CCC(=O)N(C)C)CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000585275510 342256157 /nfs/dbraw/zinc/25/61/57/342256157.db2.gz FLVXUSJCOBRKSH-HNNXBMFYSA-N 1 2 294.399 1.259 40 0 CDABLO CO[C@]1(CCC(=O)N(C)C)CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000585275510 342256158 /nfs/dbraw/zinc/25/61/58/342256158.db2.gz FLVXUSJCOBRKSH-HNNXBMFYSA-N 1 2 294.399 1.259 40 0 CDABLO COC(=O)[C@H]([NH2+]Cc1ccc(OC)c(OC)c1)C(C)C ZINC000069610767 362004110 /nfs/dbraw/zinc/00/41/10/362004110.db2.gz HUKPCCNVJOCHEH-CQSZACIVSA-N 1 2 281.352 1.991 40 0 CDABLO CNC(=O)[C@H]1C[N@H+](Cc2ccsc2)Cc2ccnn21 ZINC000247934406 362139387 /nfs/dbraw/zinc/13/93/87/362139387.db2.gz GQJVBPAQDKFTBR-GFCCVEGCSA-N 1 2 276.365 1.248 40 0 CDABLO CNC(=O)[C@H]1C[N@@H+](Cc2ccsc2)Cc2ccnn21 ZINC000247934406 362139393 /nfs/dbraw/zinc/13/93/93/362139393.db2.gz GQJVBPAQDKFTBR-GFCCVEGCSA-N 1 2 276.365 1.248 40 0 CDABLO COc1cc(C[N@@H+]2CCc3cncnc3C2)ccn1 ZINC000332510340 362570716 /nfs/dbraw/zinc/57/07/16/362570716.db2.gz HPKOWBLBFUTAJU-UHFFFAOYSA-N 1 2 256.309 1.439 40 0 CDABLO COc1cc(C[N@H+]2CCc3cncnc3C2)ccn1 ZINC000332510340 362570721 /nfs/dbraw/zinc/57/07/21/362570721.db2.gz HPKOWBLBFUTAJU-UHFFFAOYSA-N 1 2 256.309 1.439 40 0 CDABLO COC(=O)[C@@H](C)C[NH+]1CC(NC(=O)OC(C)(C)C)C1 ZINC000012648551 356316360 /nfs/dbraw/zinc/31/63/60/356316360.db2.gz HKMPOZNDOMNVBC-VIFPVBQESA-N 1 2 272.345 1.004 40 0 CDABLO C[NH+]1CCN(CC(=O)c2ccccc2Cl)CC1 ZINC000034981388 356825120 /nfs/dbraw/zinc/82/51/20/356825120.db2.gz WMGXIIOROZMFHX-UHFFFAOYSA-N 1 2 252.745 1.770 40 0 CDABLO COCCc1nc(Nc2cccc(OC)c2)cc(N)[nH+]1 ZINC000049467739 357216325 /nfs/dbraw/zinc/21/63/25/357216325.db2.gz XHIKFRGVFQEYKI-UHFFFAOYSA-N 1 2 274.324 2.000 40 0 CDABLO COCCc1nc(N)cc(Nc2cccc(OC)c2)[nH+]1 ZINC000049467739 357216327 /nfs/dbraw/zinc/21/63/27/357216327.db2.gz XHIKFRGVFQEYKI-UHFFFAOYSA-N 1 2 274.324 2.000 40 0 CDABLO C[C@@H](C(N)=O)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000057315341 357354902 /nfs/dbraw/zinc/35/49/02/357354902.db2.gz YQJRSIVWABUMIZ-JTQLQIEISA-N 1 2 267.760 1.336 40 0 CDABLO CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(OCC(=O)[O-])c1 ZINC000062718604 358781527 /nfs/dbraw/zinc/78/15/27/358781527.db2.gz YZQZMRDOSMCZLQ-CQSZACIVSA-N 1 2 292.379 1.724 40 0 CDABLO CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(OCC(=O)[O-])c1 ZINC000062718604 358781530 /nfs/dbraw/zinc/78/15/30/358781530.db2.gz YZQZMRDOSMCZLQ-CQSZACIVSA-N 1 2 292.379 1.724 40 0 CDABLO C[NH+]1CCN(C(=O)Nc2c[nH]c3ccccc3c2=O)CC1 ZINC000013565858 366477805 /nfs/dbraw/zinc/47/78/05/366477805.db2.gz PFEWCWUOHAADCN-UHFFFAOYSA-N 1 2 286.335 1.307 40 0 CDABLO Oc1cccc(C[NH+]2CCN(C(=S)NC3CC3)CC2)c1 ZINC000225221325 359561228 /nfs/dbraw/zinc/56/12/28/359561228.db2.gz NPITWWLZEJCCNV-UHFFFAOYSA-N 1 2 291.420 1.547 40 0 CDABLO CCCn1nccc1C[NH2+]Cc1ccn(CCF)n1 ZINC000256053087 190004244 /nfs/dbraw/zinc/00/42/44/190004244.db2.gz PXOFUUBGLQYDJW-UHFFFAOYSA-N 1 2 265.336 1.749 40 0 CDABLO CN(C)c1ncc(C[N@@H+]2CCC[C@H]2c2cnccn2)cn1 ZINC000257221859 190014632 /nfs/dbraw/zinc/01/46/32/190014632.db2.gz DQVKCGIKVUATID-AWEZNQCLSA-N 1 2 284.367 1.670 40 0 CDABLO CN(C)c1ncc(C[N@H+]2CCC[C@H]2c2cnccn2)cn1 ZINC000257221859 190014633 /nfs/dbraw/zinc/01/46/33/190014633.db2.gz DQVKCGIKVUATID-AWEZNQCLSA-N 1 2 284.367 1.670 40 0 CDABLO Fc1ccc(C[C@@H]2CN(Cc3[nH]cc[nH+]3)CCO2)cc1 ZINC000257244461 190019039 /nfs/dbraw/zinc/01/90/39/190019039.db2.gz ILKMBAXKPOOVFI-CQSZACIVSA-N 1 2 275.327 1.992 40 0 CDABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)Cn3cccn3)C2)[nH+]1 ZINC000257254685 190021084 /nfs/dbraw/zinc/02/10/84/190021084.db2.gz KEGHHEKKNQHYEW-CYBMUJFWSA-N 1 2 287.367 1.331 40 0 CDABLO CC(=O)N1CCC(c2nccnc2-c2c[nH+]c(C)n2C)CC1 ZINC000257284178 190026405 /nfs/dbraw/zinc/02/64/05/190026405.db2.gz PBNSNLDORUOVDS-UHFFFAOYSA-N 1 2 299.378 1.911 40 0 CDABLO CCN(CC)S(=O)(=O)N1CCC[C@H]1c1[nH]cc(C)[nH+]1 ZINC000257276228 284745181 /nfs/dbraw/zinc/74/51/81/284745181.db2.gz NSWWPCVPACTZLA-NSHDSACASA-N 1 2 286.401 1.442 40 0 CDABLO CCOc1ccc(OCC[NH+]2CCN(CCO)CC2)cc1 ZINC000042975717 379670061 /nfs/dbraw/zinc/67/00/61/379670061.db2.gz YNFUKCAOEOWNAF-UHFFFAOYSA-N 1 2 294.395 1.074 40 0 CDABLO CC(=O)N1CCC[C@@H]1c1ccc[nH+]c1N1CCOCC1 ZINC000072216215 390621130 /nfs/dbraw/zinc/62/11/30/390621130.db2.gz HLFAUOQCFOEKBA-CQSZACIVSA-N 1 2 275.352 1.602 40 0 CDABLO CC(=O)N1CCN(Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1 ZINC000257242485 392978030 /nfs/dbraw/zinc/97/80/30/392978030.db2.gz ICTHXLFLGAOESK-INIZCTEOSA-N 1 2 284.363 1.815 40 0 CDABLO CCN1CC[NH+]([C@@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000022585947 171392879 /nfs/dbraw/zinc/39/28/79/171392879.db2.gz BABAQWACRPWCAH-AWEZNQCLSA-N 1 2 269.433 1.658 40 0 CDABLO Cc1cccc(OC[C@H](O)C[NH+]2CCOCC2)c1C ZINC000023643335 171425074 /nfs/dbraw/zinc/42/50/74/171425074.db2.gz VTLAADYOBVWYOV-CQSZACIVSA-N 1 2 265.353 1.375 40 0 CDABLO CC(=O)N1CCC[C@@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072359242 176376926 /nfs/dbraw/zinc/37/69/26/176376926.db2.gz NQCBMHRYKYEWBW-GFCCVEGCSA-N 1 2 271.324 1.388 40 0 CDABLO CNc1ccnc([C@@H]2CCCN2c2cc(C)[nH+]cn2)n1 ZINC000072385532 176389992 /nfs/dbraw/zinc/38/99/92/176389992.db2.gz UMDVWGAHJIJCIT-NSHDSACASA-N 1 2 270.340 1.958 40 0 CDABLO O=C(NCCc1cccs1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000077875351 177305941 /nfs/dbraw/zinc/30/59/41/177305941.db2.gz BOPNNTWESXYALN-SNVBAGLBSA-N 1 2 275.377 1.935 40 0 CDABLO O=C(NCCc1cccs1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000077875351 177305943 /nfs/dbraw/zinc/30/59/43/177305943.db2.gz BOPNNTWESXYALN-SNVBAGLBSA-N 1 2 275.377 1.935 40 0 CDABLO COC(=O)c1cn(C)nc1C[N@@H+]1CCCC[C@H]1C ZINC000575441345 1159608605 /nfs/dbraw/zinc/60/86/05/1159608605.db2.gz DOJWQFFIKLIHBU-SNVBAGLBSA-N 1 2 251.330 1.581 40 0 CDABLO COC(=O)c1cn(C)nc1C[N@H+]1CCCC[C@H]1C ZINC000575441345 1159608607 /nfs/dbraw/zinc/60/86/07/1159608607.db2.gz DOJWQFFIKLIHBU-SNVBAGLBSA-N 1 2 251.330 1.581 40 0 CDABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@@H](C(=O)N(C)C)O[C@@H]3C2)no1 ZINC000096042913 185069939 /nfs/dbraw/zinc/06/99/39/185069939.db2.gz SLHSSJHBLOOXJE-FPMFFAJLSA-N 1 2 293.367 1.051 40 0 CDABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@@H](C(=O)N(C)C)O[C@@H]3C2)no1 ZINC000096042913 185069940 /nfs/dbraw/zinc/06/99/40/185069940.db2.gz SLHSSJHBLOOXJE-FPMFFAJLSA-N 1 2 293.367 1.051 40 0 CDABLO OCCOCc1ncn2c1C[N@H+](Cc1ccco1)CCC2 ZINC000096059001 185078675 /nfs/dbraw/zinc/07/86/75/185078675.db2.gz IJKGRYFBNOPRQW-UHFFFAOYSA-N 1 2 291.351 1.391 40 0 CDABLO OCCOCc1ncn2c1C[N@@H+](Cc1ccco1)CCC2 ZINC000096059001 185078676 /nfs/dbraw/zinc/07/86/76/185078676.db2.gz IJKGRYFBNOPRQW-UHFFFAOYSA-N 1 2 291.351 1.391 40 0 CDABLO CCOCCc1c[nH+]c2n1CCN(Cc1cn[nH]c1)[C@@H]2C ZINC000585098751 342212221 /nfs/dbraw/zinc/21/22/21/342212221.db2.gz YYFNNZYSQJFEOH-GFCCVEGCSA-N 1 2 289.383 1.762 40 0 CDABLO CCOCCc1cnc2n1CC[N@@H+](Cc1cn[nH]c1)[C@@H]2C ZINC000585098751 342212222 /nfs/dbraw/zinc/21/22/22/342212222.db2.gz YYFNNZYSQJFEOH-GFCCVEGCSA-N 1 2 289.383 1.762 40 0 CDABLO CCOCCc1cnc2n1CC[N@H+](Cc1cn[nH]c1)[C@@H]2C ZINC000585098751 342212223 /nfs/dbraw/zinc/21/22/23/342212223.db2.gz YYFNNZYSQJFEOH-GFCCVEGCSA-N 1 2 289.383 1.762 40 0 CDABLO Cc1ccc(OC[C@]2(O)CC[N@H+](Cc3cnc[nH]3)C2)cc1 ZINC000585274391 342255941 /nfs/dbraw/zinc/25/59/41/342255941.db2.gz KLGOGXDPHBDGHS-INIZCTEOSA-N 1 2 287.363 1.734 40 0 CDABLO Cc1ccc(OC[C@]2(O)CC[N@@H+](Cc3cnc[nH]3)C2)cc1 ZINC000585274391 342255942 /nfs/dbraw/zinc/25/59/42/342255942.db2.gz KLGOGXDPHBDGHS-INIZCTEOSA-N 1 2 287.363 1.734 40 0 CDABLO O[C@@H]1C[N@H+](Cc2ncc[nH]2)CC[C@@H]1Cc1ccccc1F ZINC000585278531 342256845 /nfs/dbraw/zinc/25/68/45/342256845.db2.gz OMJSSQXBZZWYAA-UKRRQHHQSA-N 1 2 289.354 1.974 40 0 CDABLO O[C@@H]1C[N@@H+](Cc2ncc[nH]2)CC[C@@H]1Cc1ccccc1F ZINC000585278531 342256846 /nfs/dbraw/zinc/25/68/46/342256846.db2.gz OMJSSQXBZZWYAA-UKRRQHHQSA-N 1 2 289.354 1.974 40 0 CDABLO O[C@@H]1C[N@H+](Cc2ncc[nH]2)CC[C@@H]1Cc1ccccc1 ZINC000585278176 342256899 /nfs/dbraw/zinc/25/68/99/342256899.db2.gz MENKVVPDVKRSFK-HUUCEWRRSA-N 1 2 271.364 1.835 40 0 CDABLO O[C@@H]1C[N@@H+](Cc2ncc[nH]2)CC[C@@H]1Cc1ccccc1 ZINC000585278176 342256900 /nfs/dbraw/zinc/25/69/00/342256900.db2.gz MENKVVPDVKRSFK-HUUCEWRRSA-N 1 2 271.364 1.835 40 0 CDABLO Cc1nn(-c2ccc(C)cc2)nc1C(=O)N1CC[NH+](C)CC1 ZINC000059843276 282237835 /nfs/dbraw/zinc/23/78/35/282237835.db2.gz SVFFILOHASMNCK-UHFFFAOYSA-N 1 2 299.378 1.272 40 0 CDABLO Cc1cc(Cl)ccc1C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000136179502 362316944 /nfs/dbraw/zinc/31/69/44/362316944.db2.gz LHNDVELVSUUOKS-LBPRGKRZSA-N 1 2 268.744 1.335 40 0 CDABLO Cc1cc(Cl)ccc1C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000136179502 362316947 /nfs/dbraw/zinc/31/69/47/362316947.db2.gz LHNDVELVSUUOKS-LBPRGKRZSA-N 1 2 268.744 1.335 40 0 CDABLO Cc1c[nH]nc1[C@H]1CN(c2cc(C)[nH+]cn2)CCO1 ZINC000257315386 362585704 /nfs/dbraw/zinc/58/57/04/362585704.db2.gz VBCRFBJCHIDZPJ-LLVKDONJSA-N 1 2 259.313 1.394 40 0 CDABLO CCc1cnc(N2CC[C@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)nc1 ZINC000107226639 186163366 /nfs/dbraw/zinc/16/33/66/186163366.db2.gz ROELZNJEZWFXGX-ZBFHGGJFSA-N 1 2 299.378 1.846 40 0 CDABLO OCCCc1[nH+]c2ccccc2n1C[C@@H](O)C(F)(F)F ZINC000158132944 188359218 /nfs/dbraw/zinc/35/92/18/188359218.db2.gz TYBSCHFXYAFCEV-LLVKDONJSA-N 1 2 288.269 1.884 40 0 CDABLO CCOC(=O)c1ccc(Nc2cc(N)[nH+]c(N)n2)cc1 ZINC000001685261 355947352 /nfs/dbraw/zinc/94/73/52/355947352.db2.gz OOTXXCYGJNXHHF-UHFFFAOYSA-N 1 2 273.296 1.561 40 0 CDABLO CC(C)c1nnc([C@H]2COCCN2Cc2[nH+]ccn2C)o1 ZINC000328764320 202044619 /nfs/dbraw/zinc/04/46/19/202044619.db2.gz ORFPSQVIINSVKE-LLVKDONJSA-N 1 2 291.355 1.500 40 0 CDABLO CN(C)C(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057711633 357364680 /nfs/dbraw/zinc/36/46/80/357364680.db2.gz AXMIJTDQAQKYCP-UHFFFAOYSA-N 1 2 265.332 1.036 40 0 CDABLO CC[C@@H]1C[N@@H+]([C@@H](C)c2nc(N)nc(N(C)C)n2)CCS1 ZINC000072861319 358736663 /nfs/dbraw/zinc/73/66/63/358736663.db2.gz YEBKQWUTSHQSQV-VHSXEESVSA-N 1 2 296.444 1.408 40 0 CDABLO CC[C@@H]1C[N@H+]([C@@H](C)c2nc(N)nc(N(C)C)n2)CCS1 ZINC000072861319 358736665 /nfs/dbraw/zinc/73/66/65/358736665.db2.gz YEBKQWUTSHQSQV-VHSXEESVSA-N 1 2 296.444 1.408 40 0 CDABLO O=S(=O)(C1CC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000151149694 374205564 /nfs/dbraw/zinc/20/55/64/374205564.db2.gz ZTNPXWLIOXATFM-LLVKDONJSA-N 1 2 268.338 1.027 40 0 CDABLO COC(=O)[C@H](F)CN1CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000225468712 374468496 /nfs/dbraw/zinc/46/84/96/374468496.db2.gz VYQLEAVCOYXPCV-CHWSQXEVSA-N 1 2 295.358 1.271 40 0 CDABLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1CCCO1)C2 ZINC000225516878 374648838 /nfs/dbraw/zinc/64/88/38/374648838.db2.gz ZWSDWXVUDPAPAN-WDEREUQCSA-N 1 2 263.341 1.118 40 0 CDABLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CCCO1)CC2 ZINC000225516878 374648842 /nfs/dbraw/zinc/64/88/42/374648842.db2.gz ZWSDWXVUDPAPAN-WDEREUQCSA-N 1 2 263.341 1.118 40 0 CDABLO Cc1ccccc1CC(=O)N1C[C@@H]2c3[nH+]ccn3C[C@@H]2C1 ZINC000306128098 374967911 /nfs/dbraw/zinc/96/79/11/374967911.db2.gz GPZGOINBBQYTMK-CABCVRRESA-N 1 2 281.359 1.990 40 0 CDABLO Cc1nccc(C[C@@H]2COCC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000257215360 190012906 /nfs/dbraw/zinc/01/29/06/190012906.db2.gz CPTGIDHCTADWNV-ZDUSSCGKSA-N 1 2 287.367 1.199 40 0 CDABLO Cc1nccc(C[C@@H]2COCC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000257215360 190012907 /nfs/dbraw/zinc/01/29/07/190012907.db2.gz CPTGIDHCTADWNV-ZDUSSCGKSA-N 1 2 287.367 1.199 40 0 CDABLO Cc1nccc(C[C@@H]2COCCN(Cc3[nH]cc[nH+]3)C2)n1 ZINC000257215360 190012908 /nfs/dbraw/zinc/01/29/08/190012908.db2.gz CPTGIDHCTADWNV-ZDUSSCGKSA-N 1 2 287.367 1.199 40 0 CDABLO CC(=O)N1CCC[C@H]1c1ccc(C[NH+]2CCOCC2)cn1 ZINC000257228768 190015998 /nfs/dbraw/zinc/01/59/98/190015998.db2.gz FVDTYIWYNZIWNH-INIZCTEOSA-N 1 2 289.379 1.597 40 0 CDABLO Cn1ccc(C[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)n1 ZINC000257231643 190016146 /nfs/dbraw/zinc/01/61/46/190016146.db2.gz GHPSLHUQUOWQLN-HUUCEWRRSA-N 1 2 273.336 1.044 40 0 CDABLO Cn1ccc(C[N@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)n1 ZINC000257231643 190016147 /nfs/dbraw/zinc/01/61/47/190016147.db2.gz GHPSLHUQUOWQLN-HUUCEWRRSA-N 1 2 273.336 1.044 40 0 CDABLO Cc1c[nH]c([C@H]2CCN(C(=O)CCc3ccnn3C)C2)[nH+]1 ZINC000257219419 190014271 /nfs/dbraw/zinc/01/42/71/190014271.db2.gz DGSIKBUEOGZOSA-LBPRGKRZSA-N 1 2 287.367 1.400 40 0 CDABLO C[C@]1(O)C[N@H+](Cc2c[nH]cn2)CC[C@@H]1Oc1ccccc1 ZINC000257249693 190019890 /nfs/dbraw/zinc/01/98/90/190019890.db2.gz JJJSUMXUOOUQTQ-HOTGVXAUSA-N 1 2 287.363 1.814 40 0 CDABLO C[C@]1(O)C[N@@H+](Cc2c[nH]cn2)CC[C@@H]1Oc1ccccc1 ZINC000257249693 190019891 /nfs/dbraw/zinc/01/98/91/190019891.db2.gz JJJSUMXUOOUQTQ-HOTGVXAUSA-N 1 2 287.363 1.814 40 0 CDABLO C[C@]1(O)C[N@H+](Cc2cnc[nH]2)CC[C@@H]1Oc1ccccc1 ZINC000257249693 190019892 /nfs/dbraw/zinc/01/98/92/190019892.db2.gz JJJSUMXUOOUQTQ-HOTGVXAUSA-N 1 2 287.363 1.814 40 0 CDABLO C[C@]1(O)C[N@@H+](Cc2cnc[nH]2)CC[C@@H]1Oc1ccccc1 ZINC000257249693 190019893 /nfs/dbraw/zinc/01/98/93/190019893.db2.gz JJJSUMXUOOUQTQ-HOTGVXAUSA-N 1 2 287.363 1.814 40 0 CDABLO Cc1[nH+]c[nH]c1CN1CCO[C@@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000257271684 190024187 /nfs/dbraw/zinc/02/41/87/190024187.db2.gz MZJAWLRHWQNNKG-CYBMUJFWSA-N 1 2 289.339 1.096 40 0 CDABLO Cc1cnc(C[N@@H+]2CCC[C@H]2c2cnccn2)cn1 ZINC000257321266 190033133 /nfs/dbraw/zinc/03/31/33/190033133.db2.gz WAWXAZGLKLLBCL-AWEZNQCLSA-N 1 2 255.325 1.912 40 0 CDABLO Cc1cnc(C[N@H+]2CCC[C@H]2c2cnccn2)cn1 ZINC000257321266 190033134 /nfs/dbraw/zinc/03/31/34/190033134.db2.gz WAWXAZGLKLLBCL-AWEZNQCLSA-N 1 2 255.325 1.912 40 0 CDABLO CC(=O)N1CC[NH+](Cc2sc(C)nc2C)CC1 ZINC000172729117 377719558 /nfs/dbraw/zinc/71/95/58/377719558.db2.gz HIUVTZRKDNNCJB-UHFFFAOYSA-N 1 2 253.371 1.424 40 0 CDABLO CC[C@H](O)c1ccc(N2CCN(C(C)=O)CC2)[nH+]c1C ZINC000072224778 390624627 /nfs/dbraw/zinc/62/46/27/390624627.db2.gz LRMBIILFSCRONI-AWEZNQCLSA-N 1 2 277.368 1.502 40 0 CDABLO CNc1cc([C@@H]2CCN(c3cc(C)ncn3)C2)[nH+]c(C)n1 ZINC000072364158 176379142 /nfs/dbraw/zinc/37/91/42/176379142.db2.gz MNUOAPIHARUHKC-GFCCVEGCSA-N 1 2 284.367 1.919 40 0 CDABLO COc1ccccc1CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000077875412 177305639 /nfs/dbraw/zinc/30/56/39/177305639.db2.gz FNSOVJOYLASHEM-NSHDSACASA-N 1 2 285.347 1.840 40 0 CDABLO COc1ccccc1CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000077875412 177305640 /nfs/dbraw/zinc/30/56/40/177305640.db2.gz FNSOVJOYLASHEM-NSHDSACASA-N 1 2 285.347 1.840 40 0 CDABLO COc1ccc(-c2noc([C@@H](C)n3cc[nH+]c3)n2)cn1 ZINC000078774769 177385983 /nfs/dbraw/zinc/38/59/83/177385983.db2.gz MCYPTHDLRMRSBX-SECBINFHSA-N 1 2 271.280 1.946 40 0 CDABLO COc1cc(-c2n[nH]c([C@@H](C)[NH3+])n2)cc(OC)c1OC ZINC000082510302 178076740 /nfs/dbraw/zinc/07/67/40/178076740.db2.gz STODMWSQRKWEED-SSDOTTSWSA-N 1 2 278.312 1.517 40 0 CDABLO CCn1nnc2c1[C@@H](COC)C[N@H+](Cc1cccnc1)C2 ZINC000096060842 185083008 /nfs/dbraw/zinc/08/30/08/185083008.db2.gz FFYBTOKIFXLRCB-CYBMUJFWSA-N 1 2 287.367 1.439 40 0 CDABLO CCn1nnc2c1[C@@H](COC)C[N@@H+](Cc1cccnc1)C2 ZINC000096060842 185083009 /nfs/dbraw/zinc/08/30/09/185083009.db2.gz FFYBTOKIFXLRCB-CYBMUJFWSA-N 1 2 287.367 1.439 40 0 CDABLO OC[C@]1(Cc2ccccc2)CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000585276408 342256233 /nfs/dbraw/zinc/25/62/33/342256233.db2.gz OJCZQQFVKOTBDZ-INIZCTEOSA-N 1 2 287.363 1.216 40 0 CDABLO Cc1nn(C)cc1C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130498990 136388683 /nfs/dbraw/zinc/38/86/83/136388683.db2.gz GLCBCHGHJVWOIX-ZDUSSCGKSA-N 1 2 299.378 1.522 40 0 CDABLO C[C@H]1CO[C@H](CO)C[N@H+]1C/C=C/c1ccc(F)cc1 ZINC000092042189 180311047 /nfs/dbraw/zinc/31/10/47/180311047.db2.gz MEDOBVKNTAWSOC-IXMWWTPESA-N 1 2 265.328 1.921 40 0 CDABLO C[C@H]1CO[C@H](CO)C[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000092042189 180311045 /nfs/dbraw/zinc/31/10/45/180311045.db2.gz MEDOBVKNTAWSOC-IXMWWTPESA-N 1 2 265.328 1.921 40 0 CDABLO CC[N@@H+]1CCO[C@H]2CCN(C(=O)c3occc3C)C[C@@H]21 ZINC000108526317 186221216 /nfs/dbraw/zinc/22/12/16/186221216.db2.gz KQXXUAOIWSVLOD-STQMWFEESA-N 1 2 278.352 1.523 40 0 CDABLO CC[N@H+]1CCO[C@H]2CCN(C(=O)c3occc3C)C[C@@H]21 ZINC000108526317 186221218 /nfs/dbraw/zinc/22/12/18/186221218.db2.gz KQXXUAOIWSVLOD-STQMWFEESA-N 1 2 278.352 1.523 40 0 CDABLO CN(C)S(=O)(=O)C/C(=C\c1ccccc1)[NH+](C)C ZINC000001722041 355949495 /nfs/dbraw/zinc/94/94/95/355949495.db2.gz HQYIJMPMUORITH-JLHYYAGUSA-N 1 2 268.382 1.481 40 0 CDABLO Cc1nc([C@@H]2CCCN(c3cc(C)[nH+]cn3)C2)no1 ZINC000072385550 357832320 /nfs/dbraw/zinc/83/23/20/357832320.db2.gz IOUYVRPNHBKIMS-LLVKDONJSA-N 1 2 259.313 1.860 40 0 CDABLO CC(C)OCCC(=O)NC[C@H](C)[N@@H+]1CCOC[C@H]1C ZINC000079002040 359905811 /nfs/dbraw/zinc/90/58/11/359905811.db2.gz CGFNSQMRRMCSSP-QWHCGFSZSA-N 1 2 272.389 1.027 40 0 CDABLO CC(C)OCCC(=O)NC[C@H](C)[N@H+]1CCOC[C@H]1C ZINC000079002040 359905812 /nfs/dbraw/zinc/90/58/12/359905812.db2.gz CGFNSQMRRMCSSP-QWHCGFSZSA-N 1 2 272.389 1.027 40 0 CDABLO COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCOc1ccc(Cl)cc1 ZINC000169053885 374043677 /nfs/dbraw/zinc/04/36/77/374043677.db2.gz DQRURFGXZHKXDM-WCQYABFASA-N 1 2 299.754 1.327 40 0 CDABLO COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCOc1ccc(Cl)cc1 ZINC000169053885 374043683 /nfs/dbraw/zinc/04/36/83/374043683.db2.gz DQRURFGXZHKXDM-WCQYABFASA-N 1 2 299.754 1.327 40 0 CDABLO Cc1cc(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)sn1 ZINC000225511519 374625943 /nfs/dbraw/zinc/62/59/43/374625943.db2.gz KYKPFMLTGXOMFE-MRVPVSSYSA-N 1 2 262.338 1.918 40 0 CDABLO Cc1cc(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)sn1 ZINC000225511519 374625950 /nfs/dbraw/zinc/62/59/50/374625950.db2.gz KYKPFMLTGXOMFE-MRVPVSSYSA-N 1 2 262.338 1.918 40 0 CDABLO FCCn1ccc(C[NH2+]Cc2ccnn2C(F)F)n1 ZINC000256050581 190002872 /nfs/dbraw/zinc/00/28/72/190002872.db2.gz FPVNXPHICQSQJW-UHFFFAOYSA-N 1 2 273.262 1.734 40 0 CDABLO O=C(NC1CCOCC1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000257205922 190011777 /nfs/dbraw/zinc/01/17/77/190011777.db2.gz BBBLJLLZLCQMSI-UHFFFAOYSA-N 1 2 272.308 1.176 40 0 CDABLO COCCNc1cccc(C[C@@H]2CCN(C(C)=O)C2)[nH+]1 ZINC000257244705 190019671 /nfs/dbraw/zinc/01/96/71/190019671.db2.gz IMKXHFLRGNJWQH-ZDUSSCGKSA-N 1 2 277.368 1.551 40 0 CDABLO COc1ccc([C@H]2C[N@H+](Cc3cnccn3)CCN2C)cc1 ZINC000257268356 190024158 /nfs/dbraw/zinc/02/41/58/190024158.db2.gz MLIVEAMDHARKLS-QGZVFWFLSA-N 1 2 298.390 1.974 40 0 CDABLO COc1ccc([C@H]2C[N@@H+](Cc3cnccn3)CCN2C)cc1 ZINC000257268356 190024159 /nfs/dbraw/zinc/02/41/59/190024159.db2.gz MLIVEAMDHARKLS-QGZVFWFLSA-N 1 2 298.390 1.974 40 0 CDABLO CC[C@H](C(N)=O)[NH+]1CCN(c2cnccc2C)CC1 ZINC000330532682 376250369 /nfs/dbraw/zinc/25/03/69/376250369.db2.gz TVLQXHHHBMTEPA-GFCCVEGCSA-N 1 2 262.357 1.826 40 0 CDABLO CC(C)(C)OC(=O)[C@H]([NH3+])[C@H]1c2cc(F)ccc2NC1=O ZINC000103615927 378336019 /nfs/dbraw/zinc/33/60/19/378336019.db2.gz TXWOFGOVXMDJJU-GHMZBOCLSA-N 1 2 280.299 1.530 40 0 CDABLO O=C1CC[C@@](c2ccccc2)([NH+]2CCOCC2)CN1 ZINC000072210161 390617573 /nfs/dbraw/zinc/61/75/73/390617573.db2.gz IAOSYNKISPFLEA-OAHLLOKOSA-N 1 2 260.337 1.124 40 0 CDABLO CO[C@H]1CCOC2(C[NH+](Cc3ccc4c(c3)OCO4)C2)C1 ZINC000247919335 391422895 /nfs/dbraw/zinc/42/28/95/391422895.db2.gz BWYQRAXARQJGHE-ZDUSSCGKSA-N 1 2 291.347 1.795 40 0 CDABLO O=C(C[NH+]1CCC(O)CC1)Nc1ccc(Cl)cn1 ZINC000071805684 176267110 /nfs/dbraw/zinc/26/71/10/176267110.db2.gz IPFNVGKTTGLZQF-UHFFFAOYSA-N 1 2 269.732 1.130 40 0 CDABLO CN(C)c1ncc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cn1 ZINC000072369531 176383998 /nfs/dbraw/zinc/38/39/98/176383998.db2.gz AYJQIRZWWSOVMB-ZDUSSCGKSA-N 1 2 286.383 1.645 40 0 CDABLO CN(C)c1ncc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cn1 ZINC000072369531 176384000 /nfs/dbraw/zinc/38/40/00/176384000.db2.gz AYJQIRZWWSOVMB-ZDUSSCGKSA-N 1 2 286.383 1.645 40 0 CDABLO CNc1cccc([C@@H]2CCCN(S(C)(=O)=O)C2)[nH+]1 ZINC000072381678 176387583 /nfs/dbraw/zinc/38/75/83/176387583.db2.gz OFEPGFRDHBYBIV-SNVBAGLBSA-N 1 2 269.370 1.262 40 0 CDABLO CNc1cncc([C@H]2CCCN2Cc2[nH+]ccn2C)n1 ZINC000072385838 176390685 /nfs/dbraw/zinc/39/06/85/176390685.db2.gz QVIHDMNPGAUFQL-GFCCVEGCSA-N 1 2 272.356 1.589 40 0 CDABLO COC[C@H](C)[NH+]1CCN(C(=O)c2ncoc2C(C)C)CC1 ZINC000076616520 177043051 /nfs/dbraw/zinc/04/30/51/177043051.db2.gz USYFLOVOLBNTFK-LBPRGKRZSA-N 1 2 295.383 1.591 40 0 CDABLO COC(=O)c1cn(C)nc1C[N@@H+]1CCCC[C@@H]1C ZINC000575441344 1159608552 /nfs/dbraw/zinc/60/85/52/1159608552.db2.gz DOJWQFFIKLIHBU-JTQLQIEISA-N 1 2 251.330 1.581 40 0 CDABLO COC(=O)c1cn(C)nc1C[N@H+]1CCCC[C@@H]1C ZINC000575441344 1159608554 /nfs/dbraw/zinc/60/85/54/1159608554.db2.gz DOJWQFFIKLIHBU-JTQLQIEISA-N 1 2 251.330 1.581 40 0 CDABLO CCO[C@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1cccnc1OC ZINC000096041973 185070080 /nfs/dbraw/zinc/07/00/80/185070080.db2.gz LJHVBUCQDIJVTM-SOUVJXGZSA-N 1 2 292.379 1.859 40 0 CDABLO CCO[C@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1cccnc1OC ZINC000096041973 185070082 /nfs/dbraw/zinc/07/00/82/185070082.db2.gz LJHVBUCQDIJVTM-SOUVJXGZSA-N 1 2 292.379 1.859 40 0 CDABLO COC[C@@H]1CN(C(=O)[C@H]2CC=CCC2)Cc2[nH+]cn(C)c21 ZINC000096044798 185071200 /nfs/dbraw/zinc/07/12/00/185071200.db2.gz PGHWEOWLYBDVAY-STQMWFEESA-N 1 2 289.379 1.849 40 0 CDABLO COC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)c1ccco1 ZINC000585094996 342211330 /nfs/dbraw/zinc/21/13/30/342211330.db2.gz YPXPBXJOQFQEOI-SNVBAGLBSA-N 1 2 275.308 1.227 40 0 CDABLO CO[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[C@@]12CCCO2 ZINC000585291130 342258936 /nfs/dbraw/zinc/25/89/36/342258936.db2.gz KFTXTXPLNHKXIN-LNMOPNHASA-N 1 2 291.351 1.219 40 0 CDABLO COC[C@H]1CN(c2ccncn2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045099 136518395 /nfs/dbraw/zinc/51/83/95/136518395.db2.gz DAXBKVPBWVCOAQ-CYBMUJFWSA-N 1 2 299.378 1.833 40 0 CDABLO C[N@H+](Cc1ccc2ncccc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000012144415 356288957 /nfs/dbraw/zinc/28/89/57/356288957.db2.gz RNTJEAVOZPAYDI-CQSZACIVSA-N 1 2 290.388 1.854 40 0 CDABLO C[N@@H+](Cc1ccc2ncccc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000012144415 356288962 /nfs/dbraw/zinc/28/89/62/356288962.db2.gz RNTJEAVOZPAYDI-CQSZACIVSA-N 1 2 290.388 1.854 40 0 CDABLO CCOC(=O)[C@H]([NH3+])[C@H](C(=O)OCC)c1ccccc1 ZINC000019203246 356476293 /nfs/dbraw/zinc/47/62/93/356476293.db2.gz QWIQBXQJIIQFIB-VXGBXAGGSA-N 1 2 265.309 1.224 40 0 CDABLO Cc1ncc(C(=O)NCCCn2cc[nH+]c2)c(C)n1 ZINC000019937128 356517206 /nfs/dbraw/zinc/51/72/06/356517206.db2.gz IIMKAIFYMSEYDR-UHFFFAOYSA-N 1 2 259.313 1.110 40 0 CDABLO Cc1nc(-c2ccccc2)ncc1[C@H](O)C[NH+]1CCOCC1 ZINC000031961962 356772482 /nfs/dbraw/zinc/77/24/82/356772482.db2.gz KQQGFGXGJUYACZ-MRXNPFEDSA-N 1 2 299.374 1.818 40 0 CDABLO COc1ccc(C(=O)[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000031938722 356772758 /nfs/dbraw/zinc/77/27/58/356772758.db2.gz FSVZPKWRXWZRQY-GFCCVEGCSA-N 1 2 263.337 1.846 40 0 CDABLO CCS(=O)(=O)N1CC[N@H+](C)[C@H](c2ccccc2OC)C1 ZINC000036132227 356861562 /nfs/dbraw/zinc/86/15/62/356861562.db2.gz RDTXCIFTQDFQAD-ZDUSSCGKSA-N 1 2 298.408 1.333 40 0 CDABLO CCS(=O)(=O)N1CC[N@@H+](C)[C@H](c2ccccc2OC)C1 ZINC000036132227 356861565 /nfs/dbraw/zinc/86/15/65/356861565.db2.gz RDTXCIFTQDFQAD-ZDUSSCGKSA-N 1 2 298.408 1.333 40 0 CDABLO Cc1nn(C)c(C)c1NC(=O)C[N@H+](C)C[C@H]1CCCO1 ZINC000059388523 357429709 /nfs/dbraw/zinc/42/97/09/357429709.db2.gz DKRVMARRTPJUOC-GFCCVEGCSA-N 1 2 280.372 1.086 40 0 CDABLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+](C)C[C@H]1CCCO1 ZINC000059388523 357429711 /nfs/dbraw/zinc/42/97/11/357429711.db2.gz DKRVMARRTPJUOC-GFCCVEGCSA-N 1 2 280.372 1.086 40 0 CDABLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000188777785 357863415 /nfs/dbraw/zinc/86/34/15/357863415.db2.gz GNPIIJANHDIJPC-YAVKISSTSA-N 1 2 293.338 1.837 40 0 CDABLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1C/C=C/c1ccc(F)cc1 ZINC000188777785 357863418 /nfs/dbraw/zinc/86/34/18/357863418.db2.gz GNPIIJANHDIJPC-YAVKISSTSA-N 1 2 293.338 1.837 40 0 CDABLO CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(c1cnccn1)C2 ZINC000096255847 358728349 /nfs/dbraw/zinc/72/83/49/358728349.db2.gz AIBASEGUIJNWSW-UHFFFAOYSA-N 1 2 286.383 1.603 40 0 CDABLO CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(c1cnccn1)C2 ZINC000096255847 358728352 /nfs/dbraw/zinc/72/83/52/358728352.db2.gz AIBASEGUIJNWSW-UHFFFAOYSA-N 1 2 286.383 1.603 40 0 CDABLO CCC(=O)Nc1c[nH+]c(N2CCCC2)nc1N(C)C ZINC000224350360 359230889 /nfs/dbraw/zinc/23/08/89/359230889.db2.gz XDAIPXCPDZSSIY-UHFFFAOYSA-N 1 2 263.345 1.491 40 0 CDABLO CC(C)C[C@@H]1COCCN1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000073042475 359427253 /nfs/dbraw/zinc/42/72/53/359427253.db2.gz UDLNYCFUTXWKFX-ZIAGYGMSSA-N 1 2 294.399 1.728 40 0 CDABLO C[N@H+](CCc1ccc2c(c1)CCO2)CCS(C)(=O)=O ZINC000075712555 359941390 /nfs/dbraw/zinc/94/13/90/359941390.db2.gz APYIWTFTRWFSQI-UHFFFAOYSA-N 1 2 283.393 1.140 40 0 CDABLO C[N@@H+](CCc1ccc2c(c1)CCO2)CCS(C)(=O)=O ZINC000075712555 359941396 /nfs/dbraw/zinc/94/13/96/359941396.db2.gz APYIWTFTRWFSQI-UHFFFAOYSA-N 1 2 283.393 1.140 40 0 CDABLO CCc1ccc(NC(=S)NCC[NH+]2CCOCC2)cc1 ZINC000027525432 373644739 /nfs/dbraw/zinc/64/47/39/373644739.db2.gz VCOAZVPEWCRJRM-UHFFFAOYSA-N 1 2 293.436 1.868 40 0 CDABLO CC(=O)N1CCN(Cc2[nH]cc[nH+]2)C[C@H]1c1ccccc1 ZINC000257228371 190016219 /nfs/dbraw/zinc/01/62/19/190016219.db2.gz FTODVAYCHDOGBA-HNNXBMFYSA-N 1 2 284.363 1.815 40 0 CDABLO C[C@@]1(C(N)=O)C[N@H+](Cc2cccc(Cl)c2)CCO1 ZINC000257276855 190025554 /nfs/dbraw/zinc/02/55/54/190025554.db2.gz NVJQTDWWQHFNES-ZDUSSCGKSA-N 1 2 268.744 1.416 40 0 CDABLO C[C@@]1(C(N)=O)C[N@@H+](Cc2cccc(Cl)c2)CCO1 ZINC000257276855 190025555 /nfs/dbraw/zinc/02/55/55/190025555.db2.gz NVJQTDWWQHFNES-ZDUSSCGKSA-N 1 2 268.744 1.416 40 0 CDABLO Cc1cn(C)c([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC000257288282 190027155 /nfs/dbraw/zinc/02/71/55/190027155.db2.gz PTPGDWYNDWIHAE-ZDUSSCGKSA-N 1 2 287.367 1.331 40 0 CDABLO Cc1ccnc([C@@H]2CN(Cc3c[nH+]c[nH]3)CCO2)n1 ZINC000257318548 190033229 /nfs/dbraw/zinc/03/32/29/190033229.db2.gz VOJHELKVEYCYAU-LBPRGKRZSA-N 1 2 259.313 1.082 40 0 CDABLO Cc1ccnc([C@@H]2CN(Cc3c[nH]c[nH+]3)CCO2)n1 ZINC000257318548 190033230 /nfs/dbraw/zinc/03/32/30/190033230.db2.gz VOJHELKVEYCYAU-LBPRGKRZSA-N 1 2 259.313 1.082 40 0 CDABLO Cc1cc(C[NH+]2CCN(c3ccccn3)CC2)on1 ZINC000040004996 377770301 /nfs/dbraw/zinc/77/03/01/377770301.db2.gz XMUKGNGUHPRCSV-UHFFFAOYSA-N 1 2 258.325 1.700 40 0 CDABLO CCOc1cccc([C@H]2C(C(N)=O)=C(C)[NH+]=C3N=CNN32)c1 ZINC000000936837 377941778 /nfs/dbraw/zinc/94/17/78/377941778.db2.gz YKXOGFVDKRKCHM-ZDUSSCGKSA-N 1 2 299.334 1.104 40 0 CDABLO Nc1nc(N)[nH+]c(Cc2cccc3ccccc32)n1 ZINC000005905035 170153000 /nfs/dbraw/zinc/15/30/00/170153000.db2.gz XGHXZWDNFDCLTQ-UHFFFAOYSA-N 1 2 251.293 1.780 40 0 CDABLO Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1Cl ZINC000035489932 172225052 /nfs/dbraw/zinc/22/50/52/172225052.db2.gz SVYMHNJKKGBBCF-UHFFFAOYSA-N 1 2 288.800 1.585 40 0 CDABLO O=C(NC[C@@H]1CCCO1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038849106 174158324 /nfs/dbraw/zinc/15/83/24/174158324.db2.gz VJORELNWZBHDDC-HNNXBMFYSA-N 1 2 285.347 1.840 40 0 CDABLO Cc1nc(-c2ccc(CO)cc2)cc([C@@H]2COCC[NH2+]2)n1 ZINC000072366361 176380997 /nfs/dbraw/zinc/38/09/97/176380997.db2.gz BTBRHWONLGDKIM-INIZCTEOSA-N 1 2 285.347 1.605 40 0 CDABLO Cc1cc(N2CC(c3[nH]nc4nccnc43)C2)nc[nH+]1 ZINC000072385513 176389957 /nfs/dbraw/zinc/38/99/57/176389957.db2.gz QVURBLQVZXKVOE-UHFFFAOYSA-N 1 2 267.296 1.055 40 0 CDABLO CNc1cc([C@@H]2C[N@@H+](C3CCOCC3)CCO2)nc(C)n1 ZINC000072387731 176392844 /nfs/dbraw/zinc/39/28/44/176392844.db2.gz ASZRCCMEVSUPDW-AWEZNQCLSA-N 1 2 292.383 1.379 40 0 CDABLO CNc1cc([C@@H]2C[N@H+](C3CCOCC3)CCO2)nc(C)n1 ZINC000072387731 176392845 /nfs/dbraw/zinc/39/28/45/176392845.db2.gz ASZRCCMEVSUPDW-AWEZNQCLSA-N 1 2 292.383 1.379 40 0 CDABLO O=C(CCn1cc[nH+]c1)NC[C@H]1Cc2ccccc2O1 ZINC000072390453 176394189 /nfs/dbraw/zinc/39/41/89/176394189.db2.gz UXMDQEVMKMMPJY-CYBMUJFWSA-N 1 2 271.320 1.393 40 0 CDABLO CC[C@H](Oc1ccccc1F)C(=O)N1CC[NH+](C)CC1 ZINC000078700961 177373839 /nfs/dbraw/zinc/37/38/39/177373839.db2.gz DSOVAEJVWWNWRA-ZDUSSCGKSA-N 1 2 280.343 1.757 40 0 CDABLO c1cc(C[N@H+]2CCO[C@@H]3[C@@H](Cn4cnnc4)CC[C@@H]32)co1 ZINC000096055361 185075968 /nfs/dbraw/zinc/07/59/68/185075968.db2.gz AKJOKRVXLNGHNC-QLFBSQMISA-N 1 2 288.351 1.551 40 0 CDABLO c1cc(C[N@@H+]2CCO[C@@H]3[C@@H](Cn4cnnc4)CC[C@@H]32)co1 ZINC000096055361 185075970 /nfs/dbraw/zinc/07/59/70/185075970.db2.gz AKJOKRVXLNGHNC-QLFBSQMISA-N 1 2 288.351 1.551 40 0 CDABLO C[C@@H]1C[C@H]1C(=O)N1CCc2[nH+]cc(-c3cccnc3)n2CC1 ZINC000585111398 342213399 /nfs/dbraw/zinc/21/33/99/342213399.db2.gz SAJLLSDKUCQYLT-TZMCWYRMSA-N 1 2 296.374 1.986 40 0 CDABLO Cc1cc(N2CC[C@@H]([N@H+](C)Cc3ccoc3)C2=O)n(C)n1 ZINC000331413999 362234912 /nfs/dbraw/zinc/23/49/12/362234912.db2.gz QESMPBANIDJVAJ-CYBMUJFWSA-N 1 2 288.351 1.559 40 0 CDABLO Cc1cc(N2CC[C@@H]([N@@H+](C)Cc3ccoc3)C2=O)n(C)n1 ZINC000331413999 362234915 /nfs/dbraw/zinc/23/49/15/362234915.db2.gz QESMPBANIDJVAJ-CYBMUJFWSA-N 1 2 288.351 1.559 40 0 CDABLO Cc1nc(C[N@H+]2CC[C@@H]3O[C@@H](C(=O)N(C)C)C[C@@H]32)cs1 ZINC000107198119 186162872 /nfs/dbraw/zinc/16/28/72/186162872.db2.gz CIMUTKNZABYVSF-RWMBFGLXSA-N 1 2 295.408 1.272 40 0 CDABLO Cc1nc(C[N@@H+]2CC[C@@H]3O[C@@H](C(=O)N(C)C)C[C@@H]32)cs1 ZINC000107198119 186162874 /nfs/dbraw/zinc/16/28/74/186162874.db2.gz CIMUTKNZABYVSF-RWMBFGLXSA-N 1 2 295.408 1.272 40 0 CDABLO CC[C@H](Oc1cccc(OC)c1)C(=O)N1CC[NH+](C)CC1 ZINC000020050526 356523511 /nfs/dbraw/zinc/52/35/11/356523511.db2.gz QBGYDRGPGIBPIW-HNNXBMFYSA-N 1 2 292.379 1.627 40 0 CDABLO c1cn(-c2nccnc2[C@H]2CCCN2c2ncccn2)c[nH+]1 ZINC000072382199 357832382 /nfs/dbraw/zinc/83/23/82/357832382.db2.gz VLBOHWNFXWUTRJ-GFCCVEGCSA-N 1 2 293.334 1.794 40 0 CDABLO CC[C@@H](C)[N@H+]1Cc2c(C(=O)N3CCCC3)nn(C)c2C1 ZINC000096187546 358714857 /nfs/dbraw/zinc/71/48/57/358714857.db2.gz RWVAZOSXNYJODK-LLVKDONJSA-N 1 2 276.384 1.770 40 0 CDABLO CC[C@@H](C)[N@@H+]1Cc2c(C(=O)N3CCCC3)nn(C)c2C1 ZINC000096187546 358714859 /nfs/dbraw/zinc/71/48/59/358714859.db2.gz RWVAZOSXNYJODK-LLVKDONJSA-N 1 2 276.384 1.770 40 0 CDABLO COc1cc(NC(=S)NCCCn2cc[nH+]c2)ncn1 ZINC000225183310 359556762 /nfs/dbraw/zinc/55/67/62/359556762.db2.gz BPDCBAQJMAODFN-UHFFFAOYSA-N 1 2 292.368 1.058 40 0 CDABLO Cc1cc(N2CCOCC2)nc(-c2ccc(N)cc2)[nH+]1 ZINC000226103377 359647335 /nfs/dbraw/zinc/64/73/35/359647335.db2.gz YHBHLDADZGKRCO-UHFFFAOYSA-N 1 2 270.336 1.871 40 0 CDABLO CC(C)(C)OC(=O)N1Cc2c[nH+]cn2[C@@H](CO)C1 ZINC000306133264 374970402 /nfs/dbraw/zinc/97/04/02/374970402.db2.gz MGVAHVDXZOOZIU-SNVBAGLBSA-N 1 2 253.302 1.167 40 0 CDABLO Cc1cc[nH+]cc1N1CCN(C(=O)c2ccnn2C)CC1 ZINC000225599196 375170552 /nfs/dbraw/zinc/17/05/52/375170552.db2.gz IEOLODGURFSIHY-UHFFFAOYSA-N 1 2 285.351 1.086 40 0 CDABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccn(C)n3)C2)[nH+]1 ZINC000257200222 190010926 /nfs/dbraw/zinc/01/09/26/190010926.db2.gz ACMMXGMVYCFVDR-NSHDSACASA-N 1 2 273.340 1.471 40 0 CDABLO Cc1cc(N2CCC[C@H]2c2ncc(C(N)=O)s2)nc[nH+]1 ZINC000257234411 190017404 /nfs/dbraw/zinc/01/74/04/190017404.db2.gz GTKHFYOVTDUUGR-VIFPVBQESA-N 1 2 289.364 1.682 40 0 CDABLO Cc1ocnc1C(=O)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257253257 190021142 /nfs/dbraw/zinc/02/11/42/190021142.db2.gz JYDZXDDMSFCQQM-RYUDHWBXSA-N 1 2 290.323 1.018 40 0 CDABLO Cc1cc(C)n(CC(=O)N2CC[C@H](c3[nH]cc(C)[nH+]3)C2)n1 ZINC000257289626 190027622 /nfs/dbraw/zinc/02/76/22/190027622.db2.gz PZMMXUBQXQDPOW-ZDUSSCGKSA-N 1 2 287.367 1.548 40 0 CDABLO Cc1[nH+]c[nH]c1CN1CCO[C@@H](c2cc(C)nc(C)n2)C1 ZINC000257313454 190031707 /nfs/dbraw/zinc/03/17/07/190031707.db2.gz USMWCIPHNQXBJN-OAHLLOKOSA-N 1 2 287.367 1.698 40 0 CDABLO Cc1cnc(C(=O)N2CCCC[C@H]2C2CC[NH2+]CC2)cn1 ZINC000257323482 190034276 /nfs/dbraw/zinc/03/42/76/190034276.db2.gz WKJYYLVYBRDDFT-HNNXBMFYSA-N 1 2 288.395 1.779 40 0 CDABLO Cc1[nH+]ccn1[C@@H]1CC[C@@H](NC(=O)c2cccn2C)[C@H]1O ZINC000257324024 190034375 /nfs/dbraw/zinc/03/43/75/190034375.db2.gz WMVRWTGYKSSREJ-YRGRVCCFSA-N 1 2 288.351 1.024 40 0 CDABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)CCc2ccnn2C)[nH+]1 ZINC000257328292 190034525 /nfs/dbraw/zinc/03/45/25/190034525.db2.gz XFAOFERQXKKZNK-ZDUSSCGKSA-N 1 2 287.367 1.748 40 0 CDABLO c1cn2c(n1)C[N@@H+]([C@H]1CCOC1)C[C@H](COCC1CC1)C2 ZINC000263621706 190070367 /nfs/dbraw/zinc/07/03/67/190070367.db2.gz BOHNUBLZQFYJKU-CABCVRRESA-N 1 2 291.395 1.530 40 0 CDABLO c1cn2c(n1)C[N@H+]([C@H]1CCOC1)C[C@H](COCC1CC1)C2 ZINC000263621706 190070368 /nfs/dbraw/zinc/07/03/68/190070368.db2.gz BOHNUBLZQFYJKU-CABCVRRESA-N 1 2 291.395 1.530 40 0 CDABLO O=C1NCCCC[C@H]1[N@H+]1CCOc2cccc(F)c2C1 ZINC000374550199 296366869 /nfs/dbraw/zinc/36/68/69/296366869.db2.gz HSMKJXOLIJMJBZ-CYBMUJFWSA-N 1 2 278.327 1.689 40 0 CDABLO O=C1NCCCC[C@H]1[N@@H+]1CCOc2cccc(F)c2C1 ZINC000374550199 296366871 /nfs/dbraw/zinc/36/68/71/296366871.db2.gz HSMKJXOLIJMJBZ-CYBMUJFWSA-N 1 2 278.327 1.689 40 0 CDABLO COC[C@@H]1Cn2cc[nH+]c2CN(C(=O)C2CC=CC2)C1 ZINC000096066808 285312675 /nfs/dbraw/zinc/31/26/75/285312675.db2.gz PKILIZRWAXEDPZ-GFCCVEGCSA-N 1 2 275.352 1.454 40 0 CDABLO CC(=O)N1CCC[C@@H]1c1ccc(N2CCOCC2)[nH+]c1 ZINC000072216155 390620613 /nfs/dbraw/zinc/62/06/13/390620613.db2.gz NCLJNBPURGSVCK-CQSZACIVSA-N 1 2 275.352 1.602 40 0 CDABLO Cc1cccc(OCC(=O)NCC[NH+]2CCOCC2)c1C ZINC000022690004 171395574 /nfs/dbraw/zinc/39/55/74/171395574.db2.gz AWMWJANNULNMTA-UHFFFAOYSA-N 1 2 292.379 1.131 40 0 CDABLO CC(C)[N@H+]1CCO[C@H](c2ccnc(N(C)C)n2)C1 ZINC000072359884 176377096 /nfs/dbraw/zinc/37/70/96/176377096.db2.gz LBUGSMMTDXOKRE-LBPRGKRZSA-N 1 2 250.346 1.324 40 0 CDABLO CC(C)[N@@H+]1CCO[C@H](c2ccnc(N(C)C)n2)C1 ZINC000072359884 176377095 /nfs/dbraw/zinc/37/70/95/176377095.db2.gz LBUGSMMTDXOKRE-LBPRGKRZSA-N 1 2 250.346 1.324 40 0 CDABLO O=C(c1cncs1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000072351064 280233008 /nfs/dbraw/zinc/23/30/08/280233008.db2.gz XJMMYEJZNOXQOS-UHFFFAOYSA-N 1 2 288.376 1.891 40 0 CDABLO COc1cccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)c1OC ZINC000162048431 295297348 /nfs/dbraw/zinc/29/73/48/295297348.db2.gz JBHPOWVNFKLXJH-GFCCVEGCSA-N 1 2 278.352 1.544 40 0 CDABLO COc1cccc(C[N@H+]2CCCC[C@@H]2C(N)=O)c1OC ZINC000162048431 295297350 /nfs/dbraw/zinc/29/73/50/295297350.db2.gz JBHPOWVNFKLXJH-GFCCVEGCSA-N 1 2 278.352 1.544 40 0 CDABLO Cc1cccc2[nH+]c(CNC(=O)[C@@H]3CCOC3)cn21 ZINC000068568914 524984383 /nfs/dbraw/zinc/98/43/83/524984383.db2.gz YQDAOWOFKTXQIZ-LLVKDONJSA-N 1 2 259.309 1.295 40 0 CDABLO [NH3+][C@@H](c1noc(C[NH+]2CCCC2)n1)c1ccccc1 ZINC000070453754 361972704 /nfs/dbraw/zinc/97/27/04/361972704.db2.gz AOBRUQWNVCZSPP-CYBMUJFWSA-N 1 2 258.325 1.714 40 0 CDABLO [NH3+][C@@H](c1noc(CN2CCCC2)n1)c1ccccc1 ZINC000070453754 361972708 /nfs/dbraw/zinc/97/27/08/361972708.db2.gz AOBRUQWNVCZSPP-CYBMUJFWSA-N 1 2 258.325 1.714 40 0 CDABLO Cc1cnc(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)cn1 ZINC000130617368 136388790 /nfs/dbraw/zinc/38/87/90/136388790.db2.gz ZPWABKLXMHWPOJ-ZDUSSCGKSA-N 1 2 297.362 1.579 40 0 CDABLO Fc1cnc(N2CCn3c(Cn4cccn4)c[nH+]c3C2)nc1 ZINC000096201102 283036555 /nfs/dbraw/zinc/03/65/55/283036555.db2.gz XQGOPIZYMJCQFF-UHFFFAOYSA-N 1 2 299.313 1.077 40 0 CDABLO O=C(c1ccsc1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2CC1CC1 ZINC000096246462 358725608 /nfs/dbraw/zinc/72/56/08/358725608.db2.gz ZJKZFCLXKHOFJU-KGLIPLIRSA-N 1 2 292.404 1.683 40 0 CDABLO O=C(c1ccsc1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2CC1CC1 ZINC000096246462 358725612 /nfs/dbraw/zinc/72/56/12/358725612.db2.gz ZJKZFCLXKHOFJU-KGLIPLIRSA-N 1 2 292.404 1.683 40 0 CDABLO [NH3+]Cc1c(O)nc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000222556886 359355097 /nfs/dbraw/zinc/35/50/97/359355097.db2.gz HUUMRJJDYCEOBQ-UHFFFAOYSA-N 1 2 251.673 1.255 40 0 CDABLO Cc1nn(C)cc1[C@H](C)Nc1nc[nH+]c2c1NC(=O)CN2 ZINC000041121428 359684095 /nfs/dbraw/zinc/68/40/95/359684095.db2.gz TZAKRRCXORWKDZ-ZETCQYMHSA-N 1 2 287.327 1.056 40 0 CDABLO Cc1nn(C)cc1[C@H](C)Nc1[nH+]cnc2c1NC(=O)CN2 ZINC000041121428 359684100 /nfs/dbraw/zinc/68/41/00/359684100.db2.gz TZAKRRCXORWKDZ-ZETCQYMHSA-N 1 2 287.327 1.056 40 0 CDABLO O=C(/C=C/c1ccncc1)NCCCn1cc[nH+]c1 ZINC000079351794 374059756 /nfs/dbraw/zinc/05/97/56/374059756.db2.gz HKSCHDCYLBREFR-NSCUHMNNSA-N 1 2 256.309 1.498 40 0 CDABLO C[C@H]1CN(c2cc(N3CCSCC3)nc[nH+]2)CC[C@@H]1O ZINC000225487610 374495340 /nfs/dbraw/zinc/49/53/40/374495340.db2.gz AEFMZCPXYTXCKJ-RYUDHWBXSA-N 1 2 294.424 1.237 40 0 CDABLO C[C@H]1CN(c2cc(N3CCSCC3)[nH+]cn2)CC[C@@H]1O ZINC000225487610 374495346 /nfs/dbraw/zinc/49/53/46/374495346.db2.gz AEFMZCPXYTXCKJ-RYUDHWBXSA-N 1 2 294.424 1.237 40 0 CDABLO Cc1c(C[NH2+]Cc2ccn(CC(F)(F)F)n2)cnn1C ZINC000256054987 190005427 /nfs/dbraw/zinc/00/54/27/190005427.db2.gz YRBZYLVGVXNIJJ-UHFFFAOYSA-N 1 2 287.289 1.777 40 0 CDABLO CCn1cc(C[NH2+]Cc2ccn(CC(F)F)n2)cn1 ZINC000256050352 190002955 /nfs/dbraw/zinc/00/29/55/190002955.db2.gz DSQCMOYSZBHYFY-UHFFFAOYSA-N 1 2 269.299 1.654 40 0 CDABLO CC(C)n1ccnc1C[NH+]1CCC2(CC1)OCCC[C@@H]2O ZINC000257280395 190025859 /nfs/dbraw/zinc/02/58/59/190025859.db2.gz OKRBRNNZXFKNOY-AWEZNQCLSA-N 1 2 293.411 1.970 40 0 CDABLO Cc1cc(CC2CCN(S(=O)(=O)N(C)C)CC2)cc[nH+]1 ZINC000257317289 190033100 /nfs/dbraw/zinc/03/31/00/190033100.db2.gz VJDPSUTUJBPDJY-UHFFFAOYSA-N 1 2 297.424 1.451 40 0 CDABLO Cn1nccc1-c1cncc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000257323720 190034077 /nfs/dbraw/zinc/03/40/77/190034077.db2.gz WLOXWWUUOVPZOS-NSHDSACASA-N 1 2 257.341 1.419 40 0 CDABLO CC(=O)N1CCC(Cc2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000072360660 176377098 /nfs/dbraw/zinc/37/70/98/176377098.db2.gz HTSGPKRCLDWRRX-UHFFFAOYSA-N 1 2 285.351 1.463 40 0 CDABLO COc1ccc([C@]23CCC(=O)N2CCC[NH2+]3)cc1OC ZINC000256028089 295253179 /nfs/dbraw/zinc/25/31/79/295253179.db2.gz SIIBVDFDURQMDM-HNNXBMFYSA-N 1 2 276.336 1.472 40 0 CDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)C2CCCC2)[nH+]1 ZINC000257240115 301024095 /nfs/dbraw/zinc/02/40/95/301024095.db2.gz HSCXVLPOMBMQNK-LBPRGKRZSA-N 1 2 263.341 1.808 40 0 CDABLO CC(C)(C)OC(=O)N1Cc2c[nH+]cn2C[C@H](CO)C1 ZINC000306128283 365526313 /nfs/dbraw/zinc/52/63/13/365526313.db2.gz GVYNBDUBWFTAFQ-SNVBAGLBSA-N 1 2 267.329 1.242 40 0 CDABLO COC[C@@H]1CN(C(=O)[C@@H]2CC=CCC2)Cc2[nH+]cn(C)c21 ZINC000096044800 185071601 /nfs/dbraw/zinc/07/16/01/185071601.db2.gz PGHWEOWLYBDVAY-OLZOCXBDSA-N 1 2 289.379 1.849 40 0 CDABLO CCN1CC[C@]2(C[N@H+](Cc3cn[nH]c3)CC(F)(F)C2)C1=O ZINC000585093268 342210891 /nfs/dbraw/zinc/21/08/91/342210891.db2.gz MWEVSZHLNPRLLN-ZDUSSCGKSA-N 1 2 298.337 1.489 40 0 CDABLO CCN1CC[C@]2(C[N@@H+](Cc3cn[nH]c3)CC(F)(F)C2)C1=O ZINC000585093268 342210892 /nfs/dbraw/zinc/21/08/92/342210892.db2.gz MWEVSZHLNPRLLN-ZDUSSCGKSA-N 1 2 298.337 1.489 40 0 CDABLO O[C@H]1C[N@H+](Cc2cnc[nH]2)CC[C@@H]1Cc1ccccc1F ZINC000585277060 342256449 /nfs/dbraw/zinc/25/64/49/342256449.db2.gz FRSFVKODLMSIHC-CJNGLKHVSA-N 1 2 289.354 1.974 40 0 CDABLO O[C@H]1C[N@@H+](Cc2cnc[nH]2)CC[C@@H]1Cc1ccccc1F ZINC000585277060 342256450 /nfs/dbraw/zinc/25/64/50/342256450.db2.gz FRSFVKODLMSIHC-CJNGLKHVSA-N 1 2 289.354 1.974 40 0 CDABLO CO[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[C@]12CCCO2 ZINC000585291132 342258887 /nfs/dbraw/zinc/25/88/87/342258887.db2.gz KFTXTXPLNHKXIN-PRXHZCDDSA-N 1 2 291.351 1.219 40 0 CDABLO [NH2+]=C(Nc1ccc(O)cc1)NS(=O)(=O)c1ccccc1 ZINC000255188528 362492569 /nfs/dbraw/zinc/49/25/69/362492569.db2.gz KJPFKMQGBJLFRQ-UHFFFAOYSA-N 1 2 291.332 1.717 40 0 CDABLO CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CC[NH+](C)CC1 ZINC000020050523 356524153 /nfs/dbraw/zinc/52/41/53/356524153.db2.gz QBGYDRGPGIBPIW-OAHLLOKOSA-N 1 2 292.379 1.627 40 0 CDABLO Cc1cc(N2CCC(c3[nH]nc4nccnc43)CC2)nc[nH+]1 ZINC000072364096 357831047 /nfs/dbraw/zinc/83/10/47/357831047.db2.gz MZAGMTDWEWIKBK-UHFFFAOYSA-N 1 2 295.350 1.835 40 0 CDABLO Cc1cc(N2CCC[C@@H](Cc3ccc(N)nn3)C2)nc[nH+]1 ZINC000072387322 357832140 /nfs/dbraw/zinc/83/21/40/357832140.db2.gz RVEJYDQLENTEOH-LBPRGKRZSA-N 1 2 284.367 1.616 40 0 CDABLO C[NH+]1CCN(C(=O)c2cc(-c3ccc(F)cc3)on2)CC1 ZINC000082162497 358150487 /nfs/dbraw/zinc/15/04/87/358150487.db2.gz WUTOZFJOESOSKD-UHFFFAOYSA-N 1 2 289.310 1.868 40 0 CDABLO Cn1nccc1[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000329266719 202258652 /nfs/dbraw/zinc/25/86/52/202258652.db2.gz CXMMTGSRUKAPCN-AWEZNQCLSA-N 1 2 287.367 1.830 40 0 CDABLO Cn1nccc1[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000329266719 202258655 /nfs/dbraw/zinc/25/86/55/202258655.db2.gz CXMMTGSRUKAPCN-AWEZNQCLSA-N 1 2 287.367 1.830 40 0 CDABLO CC(C)[N@@H+]1CCO[C@H]2CN(Cc3ccncc3)C[C@H]21 ZINC000096248683 358726891 /nfs/dbraw/zinc/72/68/91/358726891.db2.gz FGYOEZHTHCXGRR-CABCVRRESA-N 1 2 261.369 1.375 40 0 CDABLO CC(C)[N@H+]1CCO[C@H]2CN(Cc3ccncc3)C[C@H]21 ZINC000096248683 358726892 /nfs/dbraw/zinc/72/68/92/358726892.db2.gz FGYOEZHTHCXGRR-CABCVRRESA-N 1 2 261.369 1.375 40 0 CDABLO O=C1NCC[NH2+][C@H]1Cc1ccccc1Br ZINC000014001372 366525611 /nfs/dbraw/zinc/52/56/11/366525611.db2.gz IWHNATQRGIBUMA-JTQLQIEISA-N 1 2 269.142 1.080 40 0 CDABLO Cc1cc(C)c(C)c(OC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000023643353 359254563 /nfs/dbraw/zinc/25/45/63/359254563.db2.gz WQPLBHOZSVLZFX-OAHLLOKOSA-N 1 2 279.380 1.684 40 0 CDABLO C[C@H]1c2[nH+]c(N)nc(N)c2CN1C(=O)c1ccccc1 ZINC000017421553 291327577 /nfs/dbraw/zinc/32/75/77/291327577.db2.gz ICUGPYSFBUOHOU-QMMMGPOBSA-N 1 2 269.308 1.358 40 0 CDABLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CC[C@H](O)CC2)C1 ZINC000331976048 204351317 /nfs/dbraw/zinc/35/13/17/204351317.db2.gz VKEQAROAEGZTRV-JHJVBQTASA-N 1 2 292.383 1.223 40 0 CDABLO CN1CC[NH+](C[C@@H](O)O[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)CC1 ZINC000041689820 372949251 /nfs/dbraw/zinc/94/92/51/372949251.db2.gz PIGQYKSQFRACBT-QSJFSLAZSA-N 1 2 296.455 1.784 40 0 CDABLO O=C(NCCn1cccc1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000225511959 374625286 /nfs/dbraw/zinc/62/52/86/374625286.db2.gz GVDWVWIFTYSJMN-NSHDSACASA-N 1 2 258.325 1.133 40 0 CDABLO O=C(NCCn1cccc1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000225511959 374625291 /nfs/dbraw/zinc/62/52/91/374625291.db2.gz GVDWVWIFTYSJMN-NSHDSACASA-N 1 2 258.325 1.133 40 0 CDABLO Cn1ccc(C[NH2+]Cc2cnn(CC(F)F)c2)n1 ZINC000256051411 190003751 /nfs/dbraw/zinc/00/37/51/190003751.db2.gz JBHVZJJBQWQMQK-UHFFFAOYSA-N 1 2 255.272 1.172 40 0 CDABLO OCC[N@@H+]1CCO[C@H](COc2ccc(Cl)cc2)C1 ZINC000217485273 375655796 /nfs/dbraw/zinc/65/57/96/375655796.db2.gz WYRFRGWCBJPBPC-ZDUSSCGKSA-N 1 2 271.744 1.412 40 0 CDABLO OCC[N@H+]1CCO[C@H](COc2ccc(Cl)cc2)C1 ZINC000217485273 375655799 /nfs/dbraw/zinc/65/57/99/375655799.db2.gz WYRFRGWCBJPBPC-ZDUSSCGKSA-N 1 2 271.744 1.412 40 0 CDABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccn(C)n3)C2)[nH+]1 ZINC000257200221 190010729 /nfs/dbraw/zinc/01/07/29/190010729.db2.gz ACMMXGMVYCFVDR-LLVKDONJSA-N 1 2 273.340 1.471 40 0 CDABLO CO[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@]12CCCO2 ZINC000257228413 190016408 /nfs/dbraw/zinc/01/64/08/190016408.db2.gz FTTLCTKIFHRCGV-ZFWWWQNUSA-N 1 2 293.367 1.070 40 0 CDABLO Cc1cc(C[C@@H]2COCC[N@H+](Cc3cc[nH]n3)C2)ncn1 ZINC000257232359 190016604 /nfs/dbraw/zinc/01/66/04/190016604.db2.gz GKOCTVHXEIFPBV-ZDUSSCGKSA-N 1 2 287.367 1.199 40 0 CDABLO Cc1cc(C[C@@H]2COCC[N@@H+](Cc3cc[nH]n3)C2)ncn1 ZINC000257232359 190016605 /nfs/dbraw/zinc/01/66/05/190016605.db2.gz GKOCTVHXEIFPBV-ZDUSSCGKSA-N 1 2 287.367 1.199 40 0 CDABLO Cc1ncc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cn1 ZINC000257235430 190016829 /nfs/dbraw/zinc/01/68/29/190016829.db2.gz GXUWHDXJSCVXTK-ZDUSSCGKSA-N 1 2 257.341 1.888 40 0 CDABLO Cc1ncc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cn1 ZINC000257235430 190016830 /nfs/dbraw/zinc/01/68/30/190016830.db2.gz GXUWHDXJSCVXTK-ZDUSSCGKSA-N 1 2 257.341 1.888 40 0 CDABLO Cc1cn(C)c([C@H]2CCCN(C(=O)Cn3cccn3)C2)[nH+]1 ZINC000257254686 190020697 /nfs/dbraw/zinc/02/06/97/190020697.db2.gz KEGHHEKKNQHYEW-ZDUSSCGKSA-N 1 2 287.367 1.331 40 0 CDABLO CC[N@@H+]1CCO[C@H](c2cncc(Nc3ncccn3)n2)C1 ZINC000257255085 190021010 /nfs/dbraw/zinc/02/10/10/190021010.db2.gz KGBBIQAEWAKAJP-LBPRGKRZSA-N 1 2 286.339 1.403 40 0 CDABLO CC[N@H+]1CCO[C@H](c2cncc(Nc3ncccn3)n2)C1 ZINC000257255085 190021011 /nfs/dbraw/zinc/02/10/11/190021011.db2.gz KGBBIQAEWAKAJP-LBPRGKRZSA-N 1 2 286.339 1.403 40 0 CDABLO Cc1cnc(C[C@H]2COCC[N@H+](Cc3ncc[nH]3)C2)cn1 ZINC000257340006 190037199 /nfs/dbraw/zinc/03/71/99/190037199.db2.gz ZECVTCZJCSCYFX-CYBMUJFWSA-N 1 2 287.367 1.199 40 0 CDABLO Cc1cnc(C[C@H]2COCC[N@@H+](Cc3ncc[nH]3)C2)cn1 ZINC000257340006 190037200 /nfs/dbraw/zinc/03/72/00/190037200.db2.gz ZECVTCZJCSCYFX-CYBMUJFWSA-N 1 2 287.367 1.199 40 0 CDABLO Cc1cnc(C[C@H]2COCCN(Cc3[nH]cc[nH+]3)C2)cn1 ZINC000257340006 190037201 /nfs/dbraw/zinc/03/72/01/190037201.db2.gz ZECVTCZJCSCYFX-CYBMUJFWSA-N 1 2 287.367 1.199 40 0 CDABLO CC(=O)N1CCCC[C@H]1c1ccc[nH+]c1N1CCOCC1 ZINC000072216257 390621248 /nfs/dbraw/zinc/62/12/48/390621248.db2.gz DIYJQZVZZVAJJT-HNNXBMFYSA-N 1 2 289.379 1.992 40 0 CDABLO CN(C)C(=O)[C@@H]1Cn2nccc2C[N@H+](Cc2ccoc2)C1 ZINC000096067178 390912612 /nfs/dbraw/zinc/91/26/12/390912612.db2.gz HDHDRKLYXBWDEZ-ZDUSSCGKSA-N 1 2 288.351 1.196 40 0 CDABLO CN(C)C(=O)[C@@H]1Cn2nccc2C[N@@H+](Cc2ccoc2)C1 ZINC000096067178 390912613 /nfs/dbraw/zinc/91/26/13/390912613.db2.gz HDHDRKLYXBWDEZ-ZDUSSCGKSA-N 1 2 288.351 1.196 40 0 CDABLO CCOCC(=O)c1ccc(NC(=O)C[NH+]2CCCC2)cc1 ZINC000008040384 170315927 /nfs/dbraw/zinc/31/59/27/170315927.db2.gz MPFRDZJOYFWXIQ-UHFFFAOYSA-N 1 2 290.363 1.940 40 0 CDABLO Cc1cc(N2CC[C@@H](c3[nH]nc4nccnc43)C2)nc[nH+]1 ZINC000072364117 176379131 /nfs/dbraw/zinc/37/91/31/176379131.db2.gz ALFQAZRCJNGHMX-SNVBAGLBSA-N 1 2 281.323 1.445 40 0 CDABLO Cc1cc(C)nc([C@H]2CC[N@@H+](Cc3nccn3C)C2)n1 ZINC000072369728 176383855 /nfs/dbraw/zinc/38/38/55/176383855.db2.gz MUXGYWRUHUQFCK-ZDUSSCGKSA-N 1 2 271.368 1.816 40 0 CDABLO Cc1cc(C)nc([C@H]2CC[N@H+](Cc3nccn3C)C2)n1 ZINC000072369728 176383857 /nfs/dbraw/zinc/38/38/57/176383857.db2.gz MUXGYWRUHUQFCK-ZDUSSCGKSA-N 1 2 271.368 1.816 40 0 CDABLO COC[C@@H]1Cn2cc[nH+]c2CN(C(=O)c2ccoc2C)C1 ZINC000096059086 277255472 /nfs/dbraw/zinc/25/54/72/277255472.db2.gz DXQIHUUVLOWHGK-GFCCVEGCSA-N 1 2 289.335 1.703 40 0 CDABLO NC(=O)C[NH+]1CCC2(CC1)CC(=O)c1cc(F)ccc1O2 ZINC000012113650 295045414 /nfs/dbraw/zinc/04/54/14/295045414.db2.gz WPOPCROSVBIEFU-UHFFFAOYSA-N 1 2 292.310 1.111 40 0 CDABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2C)CC1 ZINC000074923064 567903838 /nfs/dbraw/zinc/90/38/38/567903838.db2.gz RGIXAAVEYQKLNO-UHFFFAOYSA-N 1 2 286.372 1.460 40 0 CDABLO CCn1nccc1CN(C)c1nc[nH+]c2c1C[C@H](C)CN2 ZINC000046087815 1166301324 /nfs/dbraw/zinc/30/13/24/1166301324.db2.gz UXDIOSPKEXNQGV-NSHDSACASA-N 1 2 286.383 1.934 40 0 CDABLO CCn1nccc1CN(C)c1[nH+]cnc2c1C[C@H](C)CN2 ZINC000046087815 1166301329 /nfs/dbraw/zinc/30/13/29/1166301329.db2.gz UXDIOSPKEXNQGV-NSHDSACASA-N 1 2 286.383 1.934 40 0 CDABLO COC[C@@H]1c2c(cnn2C)CC[N@H+]1Cc1ccco1 ZINC000096044476 185071654 /nfs/dbraw/zinc/07/16/54/185071654.db2.gz OXXBIYIWXLXXGD-CYBMUJFWSA-N 1 2 261.325 1.759 40 0 CDABLO COC[C@@H]1c2c(cnn2C)CC[N@@H+]1Cc1ccco1 ZINC000096044476 185071655 /nfs/dbraw/zinc/07/16/55/185071655.db2.gz OXXBIYIWXLXXGD-CYBMUJFWSA-N 1 2 261.325 1.759 40 0 CDABLO Cc1cccc(CN2Cc3[nH+]cn(C)c3C[C@H]2CO)n1 ZINC000585094878 342211380 /nfs/dbraw/zinc/21/13/80/342211380.db2.gz RNHJLHBGGSNYFM-ZDUSSCGKSA-N 1 2 272.352 1.043 40 0 CDABLO CC(C)n1cc(CN2Cc3[nH+]cn(C)c3C[C@H]2CO)cn1 ZINC000585094796 342211406 /nfs/dbraw/zinc/21/14/06/342211406.db2.gz NCRWUODKDPRDEO-ZDUSSCGKSA-N 1 2 289.383 1.117 40 0 CDABLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCNC(=O)C1 ZINC000050928490 361952448 /nfs/dbraw/zinc/95/24/48/361952448.db2.gz UZBJUMXDUVIWIQ-UHFFFAOYSA-N 1 2 299.330 1.348 40 0 CDABLO CNc1cc([C@@H]2CCCN2S(C)(=O)=O)cc[nH+]1 ZINC000205688924 348744196 /nfs/dbraw/zinc/74/41/96/348744196.db2.gz LJLDVUHBRIJWEV-JTQLQIEISA-N 1 2 255.343 1.220 40 0 CDABLO C[N@@H+]1CCc2nc(N)c(C(=O)c3ccccc3)cc2C1 ZINC000095098415 283175301 /nfs/dbraw/zinc/17/53/01/283175301.db2.gz LRKJQDZUMQGEAQ-UHFFFAOYSA-N 1 2 267.332 1.883 40 0 CDABLO C[N@H+]1CCc2nc(N)c(C(=O)c3ccccc3)cc2C1 ZINC000095098415 283175302 /nfs/dbraw/zinc/17/53/02/283175302.db2.gz LRKJQDZUMQGEAQ-UHFFFAOYSA-N 1 2 267.332 1.883 40 0 CDABLO COC(=O)[C@@H]1C[C@@H](N(C)C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000022013785 356595723 /nfs/dbraw/zinc/59/57/23/356595723.db2.gz CCOAFXUJNHQVBV-UWVGGRQHSA-N 1 2 272.345 1.147 40 0 CDABLO C[C@H](C(N)=O)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000057315342 357354764 /nfs/dbraw/zinc/35/47/64/357354764.db2.gz YQJRSIVWABUMIZ-SNVBAGLBSA-N 1 2 267.760 1.336 40 0 CDABLO O=C(NCc1ccccc1)[C@H]1CN(c2cccc[nH+]2)CCO1 ZINC000072366422 357831320 /nfs/dbraw/zinc/83/13/20/357831320.db2.gz HFYUQRVEFHYCGQ-OAHLLOKOSA-N 1 2 297.358 1.603 40 0 CDABLO Cc1nc(C2CCN(c3cc(C)[nH+]cn3)CC2)no1 ZINC000072385540 357832116 /nfs/dbraw/zinc/83/21/16/357832116.db2.gz SWVNUBZQQLGKIG-UHFFFAOYSA-N 1 2 259.313 1.860 40 0 CDABLO COC[C@H]1Cn2ccnc2C[N@H+](Cc2ccco2)C1 ZINC000096059062 358707049 /nfs/dbraw/zinc/70/70/49/358707049.db2.gz KEEZUMXVLSLHIX-GFCCVEGCSA-N 1 2 261.325 1.755 40 0 CDABLO COC[C@H]1Cn2ccnc2C[N@@H+](Cc2ccco2)C1 ZINC000096059062 358707052 /nfs/dbraw/zinc/70/70/52/358707052.db2.gz KEEZUMXVLSLHIX-GFCCVEGCSA-N 1 2 261.325 1.755 40 0 CDABLO COC[C@H]1C[N@H+](Cc2ccoc2)Cc2cn(C)nc21 ZINC000096059805 358707601 /nfs/dbraw/zinc/70/76/01/358707601.db2.gz UEKBKNYNAKLPSO-CYBMUJFWSA-N 1 2 261.325 1.759 40 0 CDABLO COC[C@H]1C[N@@H+](Cc2ccoc2)Cc2cn(C)nc21 ZINC000096059805 358707604 /nfs/dbraw/zinc/70/76/04/358707604.db2.gz UEKBKNYNAKLPSO-CYBMUJFWSA-N 1 2 261.325 1.759 40 0 CDABLO CCc1c(C)nc2cc([C@H]3CCC[NH2+]C3)[nH]n2c1=O ZINC000100227239 358823332 /nfs/dbraw/zinc/82/33/32/358823332.db2.gz RQXFKFQTNAWVMX-JTQLQIEISA-N 1 2 260.341 1.773 40 0 CDABLO O=C1CNc2nc[nH+]c(NCCc3ccccc3)c2N1 ZINC000041121686 359683907 /nfs/dbraw/zinc/68/39/07/359683907.db2.gz QNVQCQQGHSYBAW-UHFFFAOYSA-N 1 2 269.308 1.495 40 0 CDABLO O=C1CNc2[nH+]cnc(NCCc3ccccc3)c2N1 ZINC000041121686 359683911 /nfs/dbraw/zinc/68/39/11/359683911.db2.gz QNVQCQQGHSYBAW-UHFFFAOYSA-N 1 2 269.308 1.495 40 0 CDABLO Cc1cn2c([nH+]1)CN([C@H]1CCN(C3CCC3)C1=O)CC2 ZINC000639576176 364158210 /nfs/dbraw/zinc/15/82/10/364158210.db2.gz OKZPPBVSHORFHL-ZDUSSCGKSA-N 1 2 274.368 1.161 40 0 CDABLO CCCNc1nc(N2CCCC2)[nH+]c(N2CCCC2)n1 ZINC000004510822 364811868 /nfs/dbraw/zinc/81/18/68/364811868.db2.gz YIROKZRQSUQEBK-UHFFFAOYSA-N 1 2 276.388 1.894 40 0 CDABLO O=C(c1cccs1)N1CCN(CCn2cc[nH+]c2)CC1 ZINC000075158020 367944701 /nfs/dbraw/zinc/94/47/01/367944701.db2.gz OHLOTMPJVDUTCP-UHFFFAOYSA-N 1 2 290.392 1.403 40 0 CDABLO CN(Cc1cc[nH]n1)c1cc(N2CCCC2)[nH+]cn1 ZINC000333407104 205296086 /nfs/dbraw/zinc/29/60/86/205296086.db2.gz GHCPZGROZLAWMU-UHFFFAOYSA-N 1 2 258.329 1.436 40 0 CDABLO CN(Cc1cc[nH]n1)c1cc(N2CCCC2)nc[nH+]1 ZINC000333407104 205296091 /nfs/dbraw/zinc/29/60/91/205296091.db2.gz GHCPZGROZLAWMU-UHFFFAOYSA-N 1 2 258.329 1.436 40 0 CDABLO COc1cc(CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)ccn1 ZINC000225513875 374629315 /nfs/dbraw/zinc/62/93/15/374629315.db2.gz QSPJIBNVRKENDP-LLVKDONJSA-N 1 2 286.335 1.235 40 0 CDABLO COc1cc(CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)ccn1 ZINC000225513875 374629321 /nfs/dbraw/zinc/62/93/21/374629321.db2.gz QSPJIBNVRKENDP-LLVKDONJSA-N 1 2 286.335 1.235 40 0 CDABLO CCn1ccc(C[NH2+]Cc2ccn(C(F)F)n2)n1 ZINC000256055214 190005418 /nfs/dbraw/zinc/00/54/18/190005418.db2.gz ZTKODOBSGUOPLX-UHFFFAOYSA-N 1 2 255.272 1.784 40 0 CDABLO CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2Cc2c[nH]cn2)nc1 ZINC000257208085 190011977 /nfs/dbraw/zinc/01/19/77/190011977.db2.gz BKQXXRHNTYXCGS-MRXNPFEDSA-N 1 2 299.378 1.778 40 0 CDABLO CC(=O)NCc1ccc([C@H]2CCC[N@H+]2Cc2c[nH]cn2)nc1 ZINC000257208085 190011978 /nfs/dbraw/zinc/01/19/78/190011978.db2.gz BKQXXRHNTYXCGS-MRXNPFEDSA-N 1 2 299.378 1.778 40 0 CDABLO CC(=O)N1CC[C@H](c2n[nH]cc2-c2cc[nH+]c(N)c2)C1 ZINC000257234265 190016942 /nfs/dbraw/zinc/01/69/42/190016942.db2.gz GSVDUZSHINURBE-NSHDSACASA-N 1 2 271.324 1.390 40 0 CDABLO CCS(=O)(=O)C1(CO)CC[NH+](Cc2ccccc2)CC1 ZINC000217928324 375762778 /nfs/dbraw/zinc/76/27/78/375762778.db2.gz WFONSHAQKNKVDO-UHFFFAOYSA-N 1 2 297.420 1.448 40 0 CDABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3cn(C)nc3C)C2)[nH+]1 ZINC000257259537 190021740 /nfs/dbraw/zinc/02/17/40/190021740.db2.gz KYUZHPFYAXOCLZ-LBPRGKRZSA-N 1 2 287.367 1.780 40 0 CDABLO CCCn1cc[nH+]c1CN1CCO[C@@H](c2nc(C)c[nH]2)C1 ZINC000257272792 190024727 /nfs/dbraw/zinc/02/47/27/190024727.db2.gz NDXJPNJGYYVMSZ-CYBMUJFWSA-N 1 2 289.383 1.898 40 0 CDABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2cnn3cccnc23)[nH+]1 ZINC000257298603 190029106 /nfs/dbraw/zinc/02/91/06/190029106.db2.gz RMLIVUCSZPMMFG-LBPRGKRZSA-N 1 2 296.334 1.738 40 0 CDABLO Cc1cc(Nc2nncs2)nc([C@H]2CCC[NH2+]C2)n1 ZINC000257310858 190031861 /nfs/dbraw/zinc/03/18/61/190031861.db2.gz UGYHBTBYSANIRN-VIFPVBQESA-N 1 2 276.369 1.847 40 0 CDABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)Cn3cccn3)C2)[nH+]1 ZINC000257314682 190032391 /nfs/dbraw/zinc/03/23/91/190032391.db2.gz UYAPYPQCDUMQHG-GFCCVEGCSA-N 1 2 273.340 1.321 40 0 CDABLO COCC(=O)N1CCC(Cc2cc[nH+]c(C)c2)CC1 ZINC000257317785 190032990 /nfs/dbraw/zinc/03/29/90/190032990.db2.gz VLDCSQIHKLFCPQ-UHFFFAOYSA-N 1 2 262.353 1.818 40 0 CDABLO COCCC(=O)N1CC[N@H+](C)[C@@H](c2ccccc2OC)C1 ZINC000257288053 292272483 /nfs/dbraw/zinc/27/24/83/292272483.db2.gz PSPIDWFLZOXOQK-CQSZACIVSA-N 1 2 292.379 1.547 40 0 CDABLO COCCC(=O)N1CC[N@@H+](C)[C@@H](c2ccccc2OC)C1 ZINC000257288053 292272485 /nfs/dbraw/zinc/27/24/85/292272485.db2.gz PSPIDWFLZOXOQK-CQSZACIVSA-N 1 2 292.379 1.547 40 0 CDABLO Cc1cccc(C[N@@H+]2CCC[C@H]2c2n[nH]cc2C(N)=O)n1 ZINC000072388614 176393150 /nfs/dbraw/zinc/39/31/50/176393150.db2.gz MAXWROLTXIWCOC-ZDUSSCGKSA-N 1 2 285.351 1.549 40 0 CDABLO Cc1cccc(C[N@H+]2CCC[C@H]2c2n[nH]cc2C(N)=O)n1 ZINC000072388614 176393151 /nfs/dbraw/zinc/39/31/51/176393151.db2.gz MAXWROLTXIWCOC-ZDUSSCGKSA-N 1 2 285.351 1.549 40 0 CDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2c(C)noc2C)[nH+]1 ZINC000257272448 301024278 /nfs/dbraw/zinc/02/42/78/301024278.db2.gz NCLKADYEAHKZKE-NSHDSACASA-N 1 2 290.323 1.537 40 0 CDABLO [NH3+]C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000035622883 303393929 /nfs/dbraw/zinc/39/39/29/303393929.db2.gz XLMNZJVXHODAOE-JQWIXIFHSA-N 1 2 268.744 1.746 40 0 CDABLO [NH3+]C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000035622883 303393930 /nfs/dbraw/zinc/39/39/30/303393930.db2.gz XLMNZJVXHODAOE-JQWIXIFHSA-N 1 2 268.744 1.746 40 0 CDABLO Cc1cccc(O[C@@H](C)C(=O)NCC[NH+]2CCOCC2)c1 ZINC000014401482 524771518 /nfs/dbraw/zinc/77/15/18/524771518.db2.gz IRAWQLSRPAPXFU-AWEZNQCLSA-N 1 2 292.379 1.211 40 0 CDABLO Cc1cccc2[nH+]c(CNC(=O)[C@H]3CCOC3)cn21 ZINC000068568915 524984024 /nfs/dbraw/zinc/98/40/24/524984024.db2.gz YQDAOWOFKTXQIZ-NSHDSACASA-N 1 2 259.309 1.295 40 0 CDABLO CC(C)NC(=O)[C@@H]1C[C@H]2OCC[N@H+](Cc3ccoc3)[C@@H]2C1 ZINC000096056686 185077646 /nfs/dbraw/zinc/07/76/46/185077646.db2.gz LIYXTDMSAZHCJY-RRFJBIMHSA-N 1 2 292.379 1.784 40 0 CDABLO CC(C)NC(=O)[C@@H]1C[C@H]2OCC[N@@H+](Cc3ccoc3)[C@@H]2C1 ZINC000096056686 185077647 /nfs/dbraw/zinc/07/76/47/185077647.db2.gz LIYXTDMSAZHCJY-RRFJBIMHSA-N 1 2 292.379 1.784 40 0 CDABLO Cn1cc(C[N@@H+]2CCc3onc(Cn4cccc4)c3C2)cn1 ZINC000096084846 185091945 /nfs/dbraw/zinc/09/19/45/185091945.db2.gz LQWNQTJNWNQVTA-UHFFFAOYSA-N 1 2 297.362 1.816 40 0 CDABLO Cn1cc(C[N@H+]2CCc3onc(Cn4cccc4)c3C2)cn1 ZINC000096084846 185091947 /nfs/dbraw/zinc/09/19/47/185091947.db2.gz LQWNQTJNWNQVTA-UHFFFAOYSA-N 1 2 297.362 1.816 40 0 CDABLO COCc1cnc2n1CC[N@@H+](Cc1cnn(C)c1)[C@H]2C ZINC000096109515 185100422 /nfs/dbraw/zinc/10/04/22/185100422.db2.gz XAVOZKJFWYUVAM-NSHDSACASA-N 1 2 275.356 1.340 40 0 CDABLO COCc1cnc2n1CC[N@H+](Cc1cnn(C)c1)[C@H]2C ZINC000096109515 185100423 /nfs/dbraw/zinc/10/04/23/185100423.db2.gz XAVOZKJFWYUVAM-NSHDSACASA-N 1 2 275.356 1.340 40 0 CDABLO O[C@@]1(COc2ccc(F)cc2)CC[N@H+](Cc2cc[nH]n2)C1 ZINC000585269143 342253706 /nfs/dbraw/zinc/25/37/06/342253706.db2.gz KLOCMWOCODJJET-HNNXBMFYSA-N 1 2 291.326 1.565 40 0 CDABLO O[C@@]1(COc2ccc(F)cc2)CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000585269143 342253707 /nfs/dbraw/zinc/25/37/07/342253707.db2.gz KLOCMWOCODJJET-HNNXBMFYSA-N 1 2 291.326 1.565 40 0 CDABLO CCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000065564147 363308700 /nfs/dbraw/zinc/30/87/00/363308700.db2.gz YAVRWEZXLTVKBN-CYBMUJFWSA-N 1 2 291.395 1.429 40 0 CDABLO CCCOc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000019203927 356476098 /nfs/dbraw/zinc/47/60/98/356476098.db2.gz GBLOAVNQLRWUSW-UHFFFAOYSA-N 1 2 292.379 1.537 40 0 CDABLO COc1cc2c(cc1O)C[N@H+](CCC(C)=O)C[C@H]2O ZINC000024717583 356660487 /nfs/dbraw/zinc/66/04/87/356660487.db2.gz PIEXRCRXGSYDSD-CYBMUJFWSA-N 1 2 265.309 1.229 40 0 CDABLO COc1cc2c(cc1O)C[N@@H+](CCC(C)=O)C[C@H]2O ZINC000024717583 356660491 /nfs/dbraw/zinc/66/04/91/356660491.db2.gz PIEXRCRXGSYDSD-CYBMUJFWSA-N 1 2 265.309 1.229 40 0 CDABLO Cc1nc(N2CCC[C@H](C(=O)N3CCCC3)C2)cc[nH+]1 ZINC000072356778 357829945 /nfs/dbraw/zinc/82/99/45/357829945.db2.gz JVZZRUFQQQUPKJ-ZDUSSCGKSA-N 1 2 274.368 1.624 40 0 CDABLO COCc1nc(C2CCN(c3cc(C)[nH+]cn3)CC2)no1 ZINC000072364101 357831123 /nfs/dbraw/zinc/83/11/23/357831123.db2.gz DPKHOUINNFFSCN-UHFFFAOYSA-N 1 2 289.339 1.698 40 0 CDABLO COc1ccc(-c2nc(NCCO)cc(C)[nH+]2)cc1 ZINC000073296426 357875289 /nfs/dbraw/zinc/87/52/89/357875289.db2.gz NEZYPAHPSWEEKF-UHFFFAOYSA-N 1 2 259.309 1.865 40 0 CDABLO Cc1cc(N2CCOCC2)nc(-c2cccc(N)c2)[nH+]1 ZINC000226103262 359647513 /nfs/dbraw/zinc/64/75/13/359647513.db2.gz DPMKQWXLXSCJHV-UHFFFAOYSA-N 1 2 270.336 1.871 40 0 CDABLO O=C(NCCn1cc[nH+]c1)N[C@@H]1CCCCC[C@@H]1CO ZINC000130869507 361013521 /nfs/dbraw/zinc/01/35/21/361013521.db2.gz HYUDDKZIVRSONV-CHWSQXEVSA-N 1 2 280.372 1.124 40 0 CDABLO CCS(=O)(=O)N1CC[N@H+](C)[C@@H](c2ccccc2OC)C1 ZINC000169853014 365052413 /nfs/dbraw/zinc/05/24/13/365052413.db2.gz RDTXCIFTQDFQAD-CYBMUJFWSA-N 1 2 298.408 1.333 40 0 CDABLO CCS(=O)(=O)N1CC[N@@H+](C)[C@@H](c2ccccc2OC)C1 ZINC000169853014 365052417 /nfs/dbraw/zinc/05/24/17/365052417.db2.gz RDTXCIFTQDFQAD-CYBMUJFWSA-N 1 2 298.408 1.333 40 0 CDABLO CCOC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000000809962 374047676 /nfs/dbraw/zinc/04/76/76/374047676.db2.gz MHZVCJLLBKAFFN-UHFFFAOYSA-N 1 2 288.351 1.608 40 0 CDABLO Nc1[nH+]cnc(N2CCOCC3(CCOCC3)C2)c1Cl ZINC000225485398 374496447 /nfs/dbraw/zinc/49/64/47/374496447.db2.gz GATJFBTYCRLMMD-UHFFFAOYSA-N 1 2 298.774 1.346 40 0 CDABLO Nc1nc[nH+]c(N2CCOCC3(CCOCC3)C2)c1Cl ZINC000225485398 374496454 /nfs/dbraw/zinc/49/64/54/374496454.db2.gz GATJFBTYCRLMMD-UHFFFAOYSA-N 1 2 298.774 1.346 40 0 CDABLO Cc1cccc(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000225510132 374581511 /nfs/dbraw/zinc/58/15/11/374581511.db2.gz OJQAUNJTYBVSSL-JTQLQIEISA-N 1 2 256.309 1.857 40 0 CDABLO Cc1cccc(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000225510132 374581518 /nfs/dbraw/zinc/58/15/18/374581518.db2.gz OJQAUNJTYBVSSL-JTQLQIEISA-N 1 2 256.309 1.857 40 0 CDABLO Cc1cncc(C[N@H+]2C[C@H](C)N(S(C)(=O)=O)C[C@@H]2C)c1 ZINC000225501872 374586077 /nfs/dbraw/zinc/58/60/77/374586077.db2.gz AHMRKQQXQQTONN-STQMWFEESA-N 1 2 297.424 1.244 40 0 CDABLO Cc1cncc(C[N@@H+]2C[C@H](C)N(S(C)(=O)=O)C[C@@H]2C)c1 ZINC000225501872 374586089 /nfs/dbraw/zinc/58/60/89/374586089.db2.gz AHMRKQQXQQTONN-STQMWFEESA-N 1 2 297.424 1.244 40 0 CDABLO Cc1nnc(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)s1 ZINC000225518315 374650469 /nfs/dbraw/zinc/65/04/69/374650469.db2.gz CUUGPDGVEDBYPP-QMMMGPOBSA-N 1 2 277.353 1.622 40 0 CDABLO Cc1nnc(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)s1 ZINC000225518315 374650478 /nfs/dbraw/zinc/65/04/78/374650478.db2.gz CUUGPDGVEDBYPP-QMMMGPOBSA-N 1 2 277.353 1.622 40 0 CDABLO Cc1cc[nH+]cc1N1CCN(C(=O)c2cscn2)CC1 ZINC000225598980 375207338 /nfs/dbraw/zinc/20/73/38/375207338.db2.gz ZKKFRJCUCPVHSM-UHFFFAOYSA-N 1 2 288.376 1.809 40 0 CDABLO CCCn1nccc1C[NH2+]Cc1cnn(CC)c1F ZINC000256051097 190003843 /nfs/dbraw/zinc/00/38/43/190003843.db2.gz HRUYJSZTZYSAST-UHFFFAOYSA-N 1 2 265.336 1.938 40 0 CDABLO Cn1cc[nH+]c1CN1CCO[C@@H](CCc2ccncn2)C1 ZINC000257206296 190011385 /nfs/dbraw/zinc/01/13/85/190011385.db2.gz BCTARRACMVMLAB-AWEZNQCLSA-N 1 2 287.367 1.044 40 0 CDABLO Cc1cn(C)c([C@@H]2CCN(S(=O)(=O)C(C)C)C2)[nH+]1 ZINC000257271005 190024185 /nfs/dbraw/zinc/02/41/85/190024185.db2.gz MWLSLPCEDJJKJE-LLVKDONJSA-N 1 2 271.386 1.256 40 0 CDABLO Cc1cn(C)c([C@H]2CCCN2C(=O)C2CCOCC2)[nH+]1 ZINC000257282800 190026597 /nfs/dbraw/zinc/02/65/97/190026597.db2.gz OVJIWRKBIHWDPD-CYBMUJFWSA-N 1 2 277.368 1.819 40 0 CDABLO Cc1c[nH]c([C@@H]2CCN(C(=O)Cn3cc(Cl)cn3)C2)[nH+]1 ZINC000257275252 190024598 /nfs/dbraw/zinc/02/45/98/190024598.db2.gz NOOCTPCEZSBIOX-SNVBAGLBSA-N 1 2 293.758 1.584 40 0 CDABLO O=C(Cc1cccs1)N[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257295313 190028648 /nfs/dbraw/zinc/02/86/48/190028648.db2.gz QXVLKUOJZNRQMP-YRGRVCCFSA-N 1 2 291.376 1.368 40 0 CDABLO COc1ccc(C(=O)N2CC[C@H](c3[nH]cc(C)[nH+]3)C2)cn1 ZINC000257298968 190028960 /nfs/dbraw/zinc/02/89/60/190028960.db2.gz ROCXIAQBYMTHCA-LBPRGKRZSA-N 1 2 286.335 1.751 40 0 CDABLO Cc1[nH+]c2ccccn2c1CC(=O)NC[C@]1(C)CCCO1 ZINC000257320328 190033878 /nfs/dbraw/zinc/03/38/78/190033878.db2.gz VWHBTFLIKGYQNZ-INIZCTEOSA-N 1 2 287.363 1.871 40 0 CDABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2cnc(C)cn2)[nH+]1 ZINC000257328087 190034951 /nfs/dbraw/zinc/03/49/51/190034951.db2.gz XEAXDYGWXJLMCH-LBPRGKRZSA-N 1 2 271.324 1.794 40 0 CDABLO Cc1c[nH]c([C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)n1 ZINC000257333668 190035406 /nfs/dbraw/zinc/03/54/06/190035406.db2.gz YCOINRRECLFECI-GFCCVEGCSA-N 1 2 273.340 1.321 40 0 CDABLO Cc1cc([C@H]2CN(Cc3c[nH+]c[nH]3)CCO2)nc(C)n1 ZINC000257335636 190036309 /nfs/dbraw/zinc/03/63/09/190036309.db2.gz YLDCNHJAFVUILT-CQSZACIVSA-N 1 2 273.340 1.390 40 0 CDABLO Cc1cc([C@H]2CN(Cc3c[nH]c[nH+]3)CCO2)nc(C)n1 ZINC000257335636 190036310 /nfs/dbraw/zinc/03/63/10/190036310.db2.gz YLDCNHJAFVUILT-CQSZACIVSA-N 1 2 273.340 1.390 40 0 CDABLO O=C1CC[C@](c2ccccc2)([NH+]2CCOCC2)CN1 ZINC000072210160 390617392 /nfs/dbraw/zinc/61/73/92/390617392.db2.gz IAOSYNKISPFLEA-HNNXBMFYSA-N 1 2 260.337 1.124 40 0 CDABLO Cc1nc([C@@H]2C[C@H]3C[N@H+](Cc4nccs4)C[C@H]3O2)no1 ZINC000096045864 390912352 /nfs/dbraw/zinc/91/23/52/390912352.db2.gz NCVAWPZTLOFVAW-GARJFASQSA-N 1 2 292.364 1.797 40 0 CDABLO Cc1nc([C@@H]2C[C@H]3C[N@@H+](Cc4nccs4)C[C@H]3O2)no1 ZINC000096045864 390912353 /nfs/dbraw/zinc/91/23/53/390912353.db2.gz NCVAWPZTLOFVAW-GARJFASQSA-N 1 2 292.364 1.797 40 0 CDABLO COC[C@H]1CN(C(=O)N(C)C)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060303 285455394 /nfs/dbraw/zinc/45/53/94/285455394.db2.gz BOHURVLSIUBPQO-GFCCVEGCSA-N 1 2 292.383 1.520 40 0 CDABLO C1=CC[C@@H]([C@H]2OC[C@H](COCC[NH+]3CCOCC3)O2)CC1 ZINC000033676029 392006913 /nfs/dbraw/zinc/00/69/13/392006913.db2.gz JVWDPRYVPFMYDU-PMPSAXMXSA-N 1 2 297.395 1.433 40 0 CDABLO Brc1ccc2c(c1)[C@@]1(CO2)COCC[NH2+]1 ZINC000306145318 392105791 /nfs/dbraw/zinc/10/57/91/392105791.db2.gz BKCADMVARKZUFT-NSHDSACASA-N 1 2 270.126 1.657 40 0 CDABLO COC(=O)[C@@H]1C[C@H](N(C)C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000022013791 171349061 /nfs/dbraw/zinc/34/90/61/171349061.db2.gz CCOAFXUJNHQVBV-ZJUUUORDSA-N 1 2 272.345 1.147 40 0 CDABLO O=C(C[N@@H+](Cc1ccno1)C[C@@H]1CCCO1)N1CCCC1 ZINC000072828993 260164813 /nfs/dbraw/zinc/16/48/13/260164813.db2.gz CLZWAVLLYYOYDS-ZDUSSCGKSA-N 1 2 293.367 1.278 40 0 CDABLO O=C(C[N@H+](Cc1ccno1)C[C@@H]1CCCO1)N1CCCC1 ZINC000072828993 260164814 /nfs/dbraw/zinc/16/48/14/260164814.db2.gz CLZWAVLLYYOYDS-ZDUSSCGKSA-N 1 2 293.367 1.278 40 0 CDABLO C[C@H](C[C@H]1Nc2ccccc2C[NH2+]1)n1[nH]c(=O)ccc1=O ZINC000409202485 261148291 /nfs/dbraw/zinc/14/82/91/261148291.db2.gz SUEAHWBBGNSXPD-ZWNOBZJWSA-N 1 2 286.335 1.441 40 0 CDABLO CN(Cc1ccccc1)C(=O)[C@@H]1Cc2nc[nH]c2C[NH2+]1 ZINC000012530159 1165537827 /nfs/dbraw/zinc/53/78/27/1165537827.db2.gz LWNDXJRVRHGNLA-ZDUSSCGKSA-N 1 2 270.336 1.083 40 0 biogenic,in-vitro CDABLO COc1ccc([C@@H]([NH3+])c2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC000095533739 185006879 /nfs/dbraw/zinc/00/68/79/185006879.db2.gz PYWSDXLDABYWSV-VXGBXAGGSA-N 1 2 274.324 1.713 40 0 CDABLO c1csc(C[N@H+]2C[C@H](OCC3CC3)[C@H]3COC[C@H]32)n1 ZINC000096038585 185069334 /nfs/dbraw/zinc/06/93/34/185069334.db2.gz HUZWZOMYMKBANW-XQQFMLRXSA-N 1 2 280.393 1.769 40 0 CDABLO c1csc(C[N@@H+]2C[C@H](OCC3CC3)[C@H]3COC[C@H]32)n1 ZINC000096038585 185069335 /nfs/dbraw/zinc/06/93/35/185069335.db2.gz HUZWZOMYMKBANW-XQQFMLRXSA-N 1 2 280.393 1.769 40 0 CDABLO Cn1nnc2c1CC[N@H+](CC1CC1)[C@@H]2COCC1CC1 ZINC000096045299 185071995 /nfs/dbraw/zinc/07/19/95/185071995.db2.gz QEFLDUOAWMNUTO-CQSZACIVSA-N 1 2 276.384 1.551 40 0 CDABLO Cn1nnc2c1CC[N@@H+](CC1CC1)[C@@H]2COCC1CC1 ZINC000096045299 185071998 /nfs/dbraw/zinc/07/19/98/185071998.db2.gz QEFLDUOAWMNUTO-CQSZACIVSA-N 1 2 276.384 1.551 40 0 CDABLO C[C@H]1c2[nH+]cc(Cn3cncn3)n2CCN1Cc1ccco1 ZINC000096062083 185082820 /nfs/dbraw/zinc/08/28/20/185082820.db2.gz SEULPTVSRIJWES-LBPRGKRZSA-N 1 2 298.350 1.693 40 0 CDABLO Cc1cncc(CO[C@H]2CCOC3(C[NH+](C)C3)C2)c1 ZINC000253602852 362441268 /nfs/dbraw/zinc/44/12/68/362441268.db2.gz GFKKIXWRXPJPGV-AWEZNQCLSA-N 1 2 262.353 1.770 40 0 CDABLO CC(=O)CSc1nc(C)cc(N2CC[NH+](C)CC2)n1 ZINC000005926448 356064011 /nfs/dbraw/zinc/06/40/11/356064011.db2.gz KDUSSNNDVCOBAM-UHFFFAOYSA-N 1 2 280.397 1.218 40 0 CDABLO CCCc1cc(=O)[nH]c(NC(=[NH2+])N2CCCCC2)n1 ZINC000019819773 356507393 /nfs/dbraw/zinc/50/73/93/356507393.db2.gz ASCRMMRFCLGGAS-UHFFFAOYSA-N 1 2 263.345 1.555 40 0 CDABLO C[NH+](C)Cc1n[nH]c2c1CCN(C(=O)CC1CC1)C2 ZINC000096255839 358728824 /nfs/dbraw/zinc/72/88/24/358728824.db2.gz SKUGAHGDPXLFIU-UHFFFAOYSA-N 1 2 262.357 1.156 40 0 CDABLO Cc1cccnc1NC(=S)NCCCn1cc[nH+]c1 ZINC000225522274 359597108 /nfs/dbraw/zinc/59/71/08/359597108.db2.gz GEELWVIFQCEYJT-UHFFFAOYSA-N 1 2 275.381 1.963 40 0 CDABLO C1=CC[C@H]([C@@H]2OC[C@H](COCC[NH+]3CCOCC3)O2)CC1 ZINC000033676027 359737599 /nfs/dbraw/zinc/73/75/99/359737599.db2.gz JVWDPRYVPFMYDU-HRCADAONSA-N 1 2 297.395 1.433 40 0 CDABLO O=C(NCCn1cc[nH+]c1)N1CC=C(C(F)(F)F)CC1 ZINC000270097504 364457984 /nfs/dbraw/zinc/45/79/84/364457984.db2.gz BCLNZKPDOSCGEV-UHFFFAOYSA-N 1 2 288.273 1.787 40 0 CDABLO COc1ccccc1C[C@H](C)[N@H+](C)CCS(C)(=O)=O ZINC000075897009 366917132 /nfs/dbraw/zinc/91/71/32/366917132.db2.gz BIRSSAFTISTJTR-LBPRGKRZSA-N 1 2 285.409 1.603 40 0 CDABLO COc1ccccc1C[C@H](C)[N@@H+](C)CCS(C)(=O)=O ZINC000075897009 366917134 /nfs/dbraw/zinc/91/71/34/366917134.db2.gz BIRSSAFTISTJTR-LBPRGKRZSA-N 1 2 285.409 1.603 40 0 CDABLO Cn1ccc(N2CCC[C@@H]([N@H+](C)Cc3ccoc3)C2=O)n1 ZINC000331798173 204173416 /nfs/dbraw/zinc/17/34/16/204173416.db2.gz WOMCQIDSQYLEOO-CYBMUJFWSA-N 1 2 288.351 1.641 40 0 CDABLO Cn1ccc(N2CCC[C@@H]([N@@H+](C)Cc3ccoc3)C2=O)n1 ZINC000331798173 204173420 /nfs/dbraw/zinc/17/34/20/204173420.db2.gz WOMCQIDSQYLEOO-CYBMUJFWSA-N 1 2 288.351 1.641 40 0 CDABLO Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CC[N@H+](C1COC1)C2 ZINC000225488204 374495547 /nfs/dbraw/zinc/49/55/47/374495547.db2.gz XSLVDTBOAUXWEK-ZDUSSCGKSA-N 1 2 288.347 1.925 40 0 biogenic,in-vitro CDABLO Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CC[N@@H+](C1COC1)C2 ZINC000225488204 374495552 /nfs/dbraw/zinc/49/55/52/374495552.db2.gz XSLVDTBOAUXWEK-ZDUSSCGKSA-N 1 2 288.347 1.925 40 0 biogenic,in-vitro CDABLO Cc1cc(N)nc(SCc2nnnn2-c2ccccc2)[nH+]1 ZINC000078989033 374751046 /nfs/dbraw/zinc/75/10/46/374751046.db2.gz WZFRXOAGZXRHMR-UHFFFAOYSA-N 1 2 299.363 1.635 40 0 CDABLO FCCn1ccc(C[NH2+]Cc2cnn(CC(F)F)c2)n1 ZINC000256055208 190005451 /nfs/dbraw/zinc/00/54/51/190005451.db2.gz ZSXGCHOFPZCQDO-UHFFFAOYSA-N 1 2 287.289 1.604 40 0 CDABLO Cc1cnc(C[N@@H+]2CCC[C@H]2c2ccncn2)cn1 ZINC000257214673 190012983 /nfs/dbraw/zinc/01/29/83/190012983.db2.gz CMZDWGUWPBUIAX-AWEZNQCLSA-N 1 2 255.325 1.912 40 0 CDABLO Cc1cnc(C[N@H+]2CCC[C@H]2c2ccncn2)cn1 ZINC000257214673 190012984 /nfs/dbraw/zinc/01/29/84/190012984.db2.gz CMZDWGUWPBUIAX-AWEZNQCLSA-N 1 2 255.325 1.912 40 0 CDABLO CO[C@@H]1CC[C@H]2N(C(=O)Cn3cc[nH+]c3)CC[C@@]2(C)C1 ZINC000257226206 190015508 /nfs/dbraw/zinc/01/55/08/190015508.db2.gz FJQHLSQUTSSLIH-NFAWXSAZSA-N 1 2 277.368 1.689 40 0 CDABLO O[C@H]1CC[N@H+](Cc2nccs2)C[C@@]12CCCO2 ZINC000257263401 190022696 /nfs/dbraw/zinc/02/26/96/190022696.db2.gz LPTLYNRIFWHELH-JQWIXIFHSA-N 1 2 254.355 1.259 40 0 CDABLO O[C@H]1CC[N@@H+](Cc2nccs2)C[C@@]12CCCO2 ZINC000257263401 190022697 /nfs/dbraw/zinc/02/26/97/190022697.db2.gz LPTLYNRIFWHELH-JQWIXIFHSA-N 1 2 254.355 1.259 40 0 CDABLO CC(=O)NCc1ccc([C@H]2CCCN2Cc2[nH]cc[nH+]2)nc1 ZINC000257322006 190033497 /nfs/dbraw/zinc/03/34/97/190033497.db2.gz WEGIKVBZOOLNRV-OAHLLOKOSA-N 1 2 299.378 1.778 40 0 CDABLO CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2Cc2ncc[nH]2)nc1 ZINC000257322006 190033498 /nfs/dbraw/zinc/03/34/98/190033498.db2.gz WEGIKVBZOOLNRV-OAHLLOKOSA-N 1 2 299.378 1.778 40 0 CDABLO CC(=O)NCc1ccc([C@H]2CCC[N@H+]2Cc2ncc[nH]2)nc1 ZINC000257322006 190033499 /nfs/dbraw/zinc/03/34/99/190033499.db2.gz WEGIKVBZOOLNRV-OAHLLOKOSA-N 1 2 299.378 1.778 40 0 CDABLO CC(=O)N1CCC[C@H](c2cncc(-c3c[nH+]c(C)n3C)n2)C1 ZINC000257322109 190033516 /nfs/dbraw/zinc/03/35/16/190033516.db2.gz WEQGGCIKKZSTSP-ZDUSSCGKSA-N 1 2 299.378 1.911 40 0 CDABLO Cc1cc(C)nc([C@@H]2CC[N@H+](Cc3cnc[nH]3)C2)n1 ZINC000257332809 190035800 /nfs/dbraw/zinc/03/58/00/190035800.db2.gz XYSZBIDIVHOUOO-GFCCVEGCSA-N 1 2 257.341 1.806 40 0 CDABLO Cc1cc(C)nc([C@@H]2CC[N@@H+](Cc3cnc[nH]3)C2)n1 ZINC000257332809 190035801 /nfs/dbraw/zinc/03/58/01/190035801.db2.gz XYSZBIDIVHOUOO-GFCCVEGCSA-N 1 2 257.341 1.806 40 0 CDABLO OCCOc1cccc(C[N@@H+]2CC[C@H](c3ccn[nH]3)C2)c1 ZINC000257322781 391649578 /nfs/dbraw/zinc/64/95/78/391649578.db2.gz WHJLDMREONBYKA-AWEZNQCLSA-N 1 2 287.363 1.770 40 0 CDABLO OCCOc1cccc(C[N@H+]2CC[C@H](c3ccn[nH]3)C2)c1 ZINC000257322781 391649581 /nfs/dbraw/zinc/64/95/81/391649581.db2.gz WHJLDMREONBYKA-AWEZNQCLSA-N 1 2 287.363 1.770 40 0 CDABLO NC(=O)NC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000044867669 175268041 /nfs/dbraw/zinc/26/80/41/175268041.db2.gz ZWICWDDVRKIYBX-UHFFFAOYSA-N 1 2 287.319 1.477 40 0 CDABLO NC(=O)NC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000044867669 175268043 /nfs/dbraw/zinc/26/80/43/175268043.db2.gz ZWICWDDVRKIYBX-UHFFFAOYSA-N 1 2 287.319 1.477 40 0 CDABLO NC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)NCCC1=CCCCC1 ZINC000044871276 175268574 /nfs/dbraw/zinc/26/85/74/175268574.db2.gz KDTZEJJUMIRRHC-AWEZNQCLSA-N 1 2 293.411 1.333 40 0 CDABLO NC(=O)[C@@H]1CCCC[N@H+]1CC(=O)NCCC1=CCCCC1 ZINC000044871276 175268575 /nfs/dbraw/zinc/26/85/75/175268575.db2.gz KDTZEJJUMIRRHC-AWEZNQCLSA-N 1 2 293.411 1.333 40 0 CDABLO Cc1nc(Nc2nncs2)cc([C@@H]2CC[N@@H+](C)C2)n1 ZINC000072382624 176388485 /nfs/dbraw/zinc/38/84/85/176388485.db2.gz SWADDLTXKFMHGU-SECBINFHSA-N 1 2 276.369 1.799 40 0 CDABLO Cc1nc(Nc2nncs2)cc([C@@H]2CC[N@H+](C)C2)n1 ZINC000072382624 176388486 /nfs/dbraw/zinc/38/84/86/176388486.db2.gz SWADDLTXKFMHGU-SECBINFHSA-N 1 2 276.369 1.799 40 0 CDABLO Ic1cncnc1-n1cc[nH+]c1 ZINC000085468200 279475579 /nfs/dbraw/zinc/47/55/79/279475579.db2.gz XQAOQVTWYMMJJD-UHFFFAOYSA-N 1 2 272.049 1.267 40 0 CDABLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)OCc1ccccc1 ZINC000390768015 1158997022 /nfs/dbraw/zinc/99/70/22/1158997022.db2.gz JGAOTOPJSAYSPJ-ZDUSSCGKSA-N 1 2 292.335 1.160 40 0 CDABLO Cc1cncc(C(=O)N2Cc3c(C[NH+](C)C)nn(C)c3C2)c1 ZINC000096084441 185092497 /nfs/dbraw/zinc/09/24/97/185092497.db2.gz ZAMOIJYUPWJKRJ-UHFFFAOYSA-N 1 2 299.378 1.341 40 0 CDABLO COC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)[C@H]1CCCS1 ZINC000585094770 342211462 /nfs/dbraw/zinc/21/14/62/342211462.db2.gz LSKSSWXAFGRMNP-ZWNOBZJWSA-N 1 2 295.408 1.215 40 0 CDABLO O[C@@H]1CC[N@H+](Cc2c[nH]cn2)C[C@H]1Cc1ccccc1F ZINC000585273365 342255882 /nfs/dbraw/zinc/25/58/82/342255882.db2.gz CZIQJKMYPKVMEK-CZUORRHYSA-N 1 2 289.354 1.974 40 0 CDABLO O[C@@H]1CC[N@@H+](Cc2c[nH]cn2)C[C@H]1Cc1ccccc1F ZINC000585273365 342255883 /nfs/dbraw/zinc/25/58/83/342255883.db2.gz CZIQJKMYPKVMEK-CZUORRHYSA-N 1 2 289.354 1.974 40 0 CDABLO O[C@@H]1CC[N@H+](Cc2cnc[nH]2)C[C@H]1Cc1ccccc1F ZINC000585273365 342255884 /nfs/dbraw/zinc/25/58/84/342255884.db2.gz CZIQJKMYPKVMEK-CZUORRHYSA-N 1 2 289.354 1.974 40 0 CDABLO O[C@@H]1CC[N@@H+](Cc2cnc[nH]2)C[C@H]1Cc1ccccc1F ZINC000585273365 342255885 /nfs/dbraw/zinc/25/58/85/342255885.db2.gz CZIQJKMYPKVMEK-CZUORRHYSA-N 1 2 289.354 1.974 40 0 CDABLO C[C@@H](CO)[N@H+](Cc1nsc(N(C)C)n1)C1CCCC1 ZINC000329931814 362095598 /nfs/dbraw/zinc/09/55/98/362095598.db2.gz IKNUVJKXLXHFGU-JTQLQIEISA-N 1 2 284.429 1.730 40 0 CDABLO C[C@@H](CO)[N@@H+](Cc1nsc(N(C)C)n1)C1CCCC1 ZINC000329931814 362095605 /nfs/dbraw/zinc/09/56/05/362095605.db2.gz IKNUVJKXLXHFGU-JTQLQIEISA-N 1 2 284.429 1.730 40 0 CDABLO CO[C@H]1CC[N@H+](Cc2ncc[nH]2)C[C@@]12CCCO2 ZINC000257283618 362581814 /nfs/dbraw/zinc/58/18/14/362581814.db2.gz OZAVOEZVIRXVNF-AAEUAGOBSA-N 1 2 251.330 1.180 40 0 CDABLO CO[C@H]1CC[N@@H+](Cc2ncc[nH]2)C[C@@]12CCCO2 ZINC000257283618 362581821 /nfs/dbraw/zinc/58/18/21/362581821.db2.gz OZAVOEZVIRXVNF-AAEUAGOBSA-N 1 2 251.330 1.180 40 0 CDABLO Cn1ccnc1C[N@@H+]1CCOC[C@H](Oc2ccccc2)C1 ZINC000085435978 179062696 /nfs/dbraw/zinc/06/26/96/179062696.db2.gz PABPDKSFEHZKFV-OAHLLOKOSA-N 1 2 287.363 1.700 40 0 biogenic,in-vitro CDABLO Cn1ccnc1C[N@H+]1CCOC[C@H](Oc2ccccc2)C1 ZINC000085435978 179062698 /nfs/dbraw/zinc/06/26/98/179062698.db2.gz PABPDKSFEHZKFV-OAHLLOKOSA-N 1 2 287.363 1.700 40 0 biogenic,in-vitro CDABLO Cn1cc[nH+]c1CN1CCOC[C@H](Oc2ccccc2)C1 ZINC000085435978 179062700 /nfs/dbraw/zinc/06/27/00/179062700.db2.gz PABPDKSFEHZKFV-OAHLLOKOSA-N 1 2 287.363 1.700 40 0 biogenic,in-vitro CDABLO CN(C)C(=O)N[C@H]1CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000584701388 346407290 /nfs/dbraw/zinc/40/72/90/346407290.db2.gz KWBYHHAFVNEMQM-LBPRGKRZSA-N 1 2 299.378 1.870 40 0 CDABLO Cn1c[nH+]c2c1[C@H](CO)N(C(=O)OC(C)(C)C)CC2 ZINC000091303716 180130838 /nfs/dbraw/zinc/13/08/38/180130838.db2.gz QZLJZHIAPTURIW-JTQLQIEISA-N 1 2 267.329 1.247 40 0 CDABLO Cc1cnc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000152750556 188040517 /nfs/dbraw/zinc/04/05/17/188040517.db2.gz DXZDZKKJXGZMGY-GFCCVEGCSA-N 1 2 283.335 1.189 40 0 CDABLO O=C(NCCNc1cccc[nH+]1)c1n[nH]c2c1CCC2 ZINC000019402166 356484347 /nfs/dbraw/zinc/48/43/47/356484347.db2.gz TXEUYCHEQQXUTK-UHFFFAOYSA-N 1 2 271.324 1.135 40 0 CDABLO C[C@H](C(=O)NCc1[nH+]ccn1C)n1nnc2ccccc21 ZINC000019080463 356475050 /nfs/dbraw/zinc/47/50/50/356475050.db2.gz PLVPWDXEGDIELT-SNVBAGLBSA-N 1 2 284.323 1.042 40 0 CDABLO CC(=O)CC[N@H+]1Cc2cc3c(cc2[C@@H](O)C1)OCO3 ZINC000024717589 356660603 /nfs/dbraw/zinc/66/06/03/356660603.db2.gz DOCFTWOBHIMVHN-LBPRGKRZSA-N 1 2 263.293 1.243 40 0 CDABLO CC(=O)CC[N@@H+]1Cc2cc3c(cc2[C@@H](O)C1)OCO3 ZINC000024717589 356660606 /nfs/dbraw/zinc/66/06/06/356660606.db2.gz DOCFTWOBHIMVHN-LBPRGKRZSA-N 1 2 263.293 1.243 40 0 CDABLO CSc1ccc(OCC[N@@H+]2CCNC(=O)[C@@H]2C)cc1 ZINC000075685473 359917390 /nfs/dbraw/zinc/91/73/90/359917390.db2.gz OIEMHJHGMIFGTQ-NSHDSACASA-N 1 2 280.393 1.608 40 0 CDABLO CSc1ccc(OCC[N@H+]2CCNC(=O)[C@@H]2C)cc1 ZINC000075685473 359917392 /nfs/dbraw/zinc/91/73/92/359917392.db2.gz OIEMHJHGMIFGTQ-NSHDSACASA-N 1 2 280.393 1.608 40 0 CDABLO Cn1c[nH+]cc1CN1CCO[C@@H](Cc2ccccc2)C1 ZINC000181523508 189299166 /nfs/dbraw/zinc/29/91/66/189299166.db2.gz MADQLRDEKMZMKL-INIZCTEOSA-N 1 2 271.364 1.864 40 0 CDABLO CC(C)[N@H+]1Cc2ccnn2[C@@H](CNC(=O)N2CCCC2)C1 ZINC000306132158 374969818 /nfs/dbraw/zinc/96/98/18/374969818.db2.gz LAJLBQFEFPQBND-AWEZNQCLSA-N 1 2 291.399 1.454 40 0 CDABLO CC(C)[N@@H+]1Cc2ccnn2[C@@H](CNC(=O)N2CCCC2)C1 ZINC000306132158 374969824 /nfs/dbraw/zinc/96/98/24/374969824.db2.gz LAJLBQFEFPQBND-AWEZNQCLSA-N 1 2 291.399 1.454 40 0 CDABLO CCCn1ccc(C[NH2+]Cc2c(C)nn(C)c2F)n1 ZINC000256052942 190004216 /nfs/dbraw/zinc/00/42/16/190004216.db2.gz PHBGTOLYKSDGQF-UHFFFAOYSA-N 1 2 265.336 1.764 40 0 CDABLO CCn1cc(C(=O)N2CC[C@H](c3[nH+]c(C)cn3C)C2)cn1 ZINC000257206500 190011629 /nfs/dbraw/zinc/01/16/29/190011629.db2.gz BDTIWHUMYIFCQS-LBPRGKRZSA-N 1 2 287.367 1.575 40 0 CDABLO Cc1c[nH]c([C@H]2CCCN(C(=O)C3CCOCC3)C2)[nH+]1 ZINC000257272995 190024935 /nfs/dbraw/zinc/02/49/35/190024935.db2.gz NEVKAMQUQYZBEO-ZDUSSCGKSA-N 1 2 277.368 1.851 40 0 CDABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2cnn3cccnc23)[nH+]1 ZINC000257298602 190029494 /nfs/dbraw/zinc/02/94/94/190029494.db2.gz RMLIVUCSZPMMFG-GFCCVEGCSA-N 1 2 296.334 1.738 40 0 CDABLO O=C(Cn1cc[nH+]c1)N1CCC[C@H](c2nccs2)C1 ZINC000257297337 190029766 /nfs/dbraw/zinc/02/97/66/190029766.db2.gz RGVBDBLAHDMTIA-NSHDSACASA-N 1 2 276.365 1.746 40 0 CDABLO Cc1nccc([C@H]2CN(Cc3[nH]cc[nH+]3)CCO2)n1 ZINC000257343945 190037483 /nfs/dbraw/zinc/03/74/83/190037483.db2.gz ZVBPZHNCATVHLX-GFCCVEGCSA-N 1 2 259.313 1.082 40 0 CDABLO Cc1[nH+]c[nH]c1CN1CCO[C@@H](c2cnc(C)cn2)C1 ZINC000257318044 190032458 /nfs/dbraw/zinc/03/24/58/190032458.db2.gz VMFOTFAQNIHMTJ-CQSZACIVSA-N 1 2 273.340 1.390 40 0 CDABLO c1ncc(C[N@@H+]2CC[C@]3(CCN3c3ncccn3)C2)[nH]1 ZINC000096076138 398070372 /nfs/dbraw/zinc/07/03/72/398070372.db2.gz WXWXQIXRYBOLJK-AWEZNQCLSA-N 1 2 270.340 1.055 40 0 CDABLO c1ncc(C[N@H+]2CC[C@]3(CCN3c3ncccn3)C2)[nH]1 ZINC000096076138 398070374 /nfs/dbraw/zinc/07/03/74/398070374.db2.gz WXWXQIXRYBOLJK-AWEZNQCLSA-N 1 2 270.340 1.055 40 0 CDABLO C[N@H+](CCC(=O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000037329104 173130247 /nfs/dbraw/zinc/13/02/47/173130247.db2.gz VGRIDPUHOLGTBO-CYBMUJFWSA-N 1 2 299.367 1.517 40 0 CDABLO C[N@@H+](CCC(=O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000037329104 173130250 /nfs/dbraw/zinc/13/02/50/173130250.db2.gz VGRIDPUHOLGTBO-CYBMUJFWSA-N 1 2 299.367 1.517 40 0 CDABLO CNC(=O)[C@]1(C)C[N@H+](Cc2ccc(F)c(F)c2)CCO1 ZINC000072379686 176386859 /nfs/dbraw/zinc/38/68/59/176386859.db2.gz XAAGDXLXAFSMMK-AWEZNQCLSA-N 1 2 284.306 1.302 40 0 CDABLO CNC(=O)[C@]1(C)C[N@@H+](Cc2ccc(F)c(F)c2)CCO1 ZINC000072379686 176386860 /nfs/dbraw/zinc/38/68/60/176386860.db2.gz XAAGDXLXAFSMMK-AWEZNQCLSA-N 1 2 284.306 1.302 40 0 CDABLO COCc1ccc(OC)c(C[N@@H+]2CCn3cnnc3C2)c1 ZINC000072390465 176394125 /nfs/dbraw/zinc/39/41/25/176394125.db2.gz OFRWJQCXYITTQM-UHFFFAOYSA-N 1 2 288.351 1.449 40 0 CDABLO COCc1ccc(OC)c(C[N@H+]2CCn3cnnc3C2)c1 ZINC000072390465 176394127 /nfs/dbraw/zinc/39/41/27/176394127.db2.gz OFRWJQCXYITTQM-UHFFFAOYSA-N 1 2 288.351 1.449 40 0 CDABLO COCCn1cc2[nH]c(N3CCC[C@@H](C)C3)[nH+]cc-2c1=O ZINC000046088022 423932927 /nfs/dbraw/zinc/93/29/27/423932927.db2.gz NNIDWVYCJLJGEI-LLVKDONJSA-N 1 2 290.367 1.315 40 0 CDABLO COC[C@H]1Cn2cc[nH+]c2CN(C(=O)c2ccc(C)o2)C1 ZINC000096059099 277607775 /nfs/dbraw/zinc/60/77/75/277607775.db2.gz GHVJNOGRBBHLNW-LBPRGKRZSA-N 1 2 289.335 1.703 40 0 CDABLO CCOc1cc(-c2n[nH]c([C@H](C)[NH3+])n2)ccc1OC ZINC000095534687 185006639 /nfs/dbraw/zinc/00/66/39/185006639.db2.gz WUQFQVZVXSOQKV-QMMMGPOBSA-N 1 2 262.313 1.899 40 0 CDABLO CCOC[C@@H]1C[N@H+](Cc2cnn(C)c2)Cc2ncn(C)c21 ZINC000096060206 185079911 /nfs/dbraw/zinc/07/99/11/185079911.db2.gz NONQYYKKVVYSRX-ZDUSSCGKSA-N 1 2 289.383 1.290 40 0 CDABLO CCOC[C@@H]1C[N@@H+](Cc2cnn(C)c2)Cc2ncn(C)c21 ZINC000096060206 185079913 /nfs/dbraw/zinc/07/99/13/185079913.db2.gz NONQYYKKVVYSRX-ZDUSSCGKSA-N 1 2 289.383 1.290 40 0 CDABLO COC[C@@H]1CN(Cc2nccs2)Cc2[nH+]cn(C)c21 ZINC000096060184 185080070 /nfs/dbraw/zinc/08/00/70/185080070.db2.gz ZOSYGSGFRNCOAP-JTQLQIEISA-N 1 2 278.381 1.622 40 0 CDABLO COC[C@H]1C[N@H+](Cc2cccs2)Cc2nnn(C)c21 ZINC000096060594 185081654 /nfs/dbraw/zinc/08/16/54/185081654.db2.gz DXHAGNLVPUXCAN-SNVBAGLBSA-N 1 2 278.381 1.622 40 0 CDABLO COC[C@H]1C[N@@H+](Cc2cccs2)Cc2nnn(C)c21 ZINC000096060594 185081656 /nfs/dbraw/zinc/08/16/56/185081656.db2.gz DXHAGNLVPUXCAN-SNVBAGLBSA-N 1 2 278.381 1.622 40 0 CDABLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCn1cccc1)C2 ZINC000164242708 361996999 /nfs/dbraw/zinc/99/69/99/361996999.db2.gz XEGRSBBQMVUDNC-GFCCVEGCSA-N 1 2 272.352 1.441 40 0 CDABLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCCn1cccc1)CC2 ZINC000164242708 361997002 /nfs/dbraw/zinc/99/70/02/361997002.db2.gz XEGRSBBQMVUDNC-GFCCVEGCSA-N 1 2 272.352 1.441 40 0 CDABLO c1coc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3Cn2cnnc2)c1 ZINC000247899525 362137933 /nfs/dbraw/zinc/13/79/33/362137933.db2.gz IBYCUDIKUZWKGW-NWANDNLSSA-N 1 2 288.351 1.551 40 0 CDABLO c1coc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3Cn2cnnc2)c1 ZINC000247899525 362137938 /nfs/dbraw/zinc/13/79/38/362137938.db2.gz IBYCUDIKUZWKGW-NWANDNLSSA-N 1 2 288.351 1.551 40 0 CDABLO COc1[nH+]ccc(N(C)C)c1NC(=O)Cc1ccon1 ZINC000080648931 362194911 /nfs/dbraw/zinc/19/49/11/362194911.db2.gz IEKMCFUQPAOAGF-UHFFFAOYSA-N 1 2 276.296 1.325 40 0 CDABLO Oc1ccc(N2CC[NH+](Cc3ccon3)CC2)cc1 ZINC000122412772 136698254 /nfs/dbraw/zinc/69/82/54/136698254.db2.gz PHHXOWSJYDMDKW-UHFFFAOYSA-N 1 2 259.309 1.702 40 0 CDABLO C[C@]1(CNC(=O)c2ccc(-n3cc[nH+]c3)nc2)CCCO1 ZINC000153173648 188068853 /nfs/dbraw/zinc/06/88/53/188068853.db2.gz SUDAGOBMKWJOBJ-OAHLLOKOSA-N 1 2 286.335 1.566 40 0 CDABLO Cc1cc(C(F)F)nn1CC(=O)NCc1[nH]cc[nH+]1 ZINC000019119256 356475852 /nfs/dbraw/zinc/47/58/52/356475852.db2.gz AAGVSYWVFDEHGX-UHFFFAOYSA-N 1 2 269.255 1.169 40 0 CDABLO CC(C)([NH2+]CC(=O)NCc1ccccn1)c1nccs1 ZINC000072662621 358543384 /nfs/dbraw/zinc/54/33/84/358543384.db2.gz VNYDOEUZSBPRLV-UHFFFAOYSA-N 1 2 290.392 1.679 40 0 CDABLO CC(C)C[C@H]1COCCN1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000073042476 359427273 /nfs/dbraw/zinc/42/72/73/359427273.db2.gz UDLNYCFUTXWKFX-KGLIPLIRSA-N 1 2 294.399 1.728 40 0 CDABLO Cn1ccc(CCNc2cc(N3CCCC3)nc[nH+]2)n1 ZINC000333502699 205382655 /nfs/dbraw/zinc/38/26/55/205382655.db2.gz VXWFSDAOXAFIIC-UHFFFAOYSA-N 1 2 272.356 1.465 40 0 CDABLO Cn1ccc(CCNc2cc(N3CCCC3)[nH+]cn2)n1 ZINC000333502699 205382660 /nfs/dbraw/zinc/38/26/60/205382660.db2.gz VXWFSDAOXAFIIC-UHFFFAOYSA-N 1 2 272.356 1.465 40 0 CDABLO Cc1nnc(C[N@@H+](CCN2CCOC[C@H]2C)C(C)(C)C)o1 ZINC000330031997 374838621 /nfs/dbraw/zinc/83/86/21/374838621.db2.gz HDAUBAFIJZESMS-GFCCVEGCSA-N 1 2 296.415 1.699 40 0 CDABLO Cc1nnc(C[N@H+](CCN2CCOC[C@H]2C)C(C)(C)C)o1 ZINC000330031997 374838630 /nfs/dbraw/zinc/83/86/30/374838630.db2.gz HDAUBAFIJZESMS-GFCCVEGCSA-N 1 2 296.415 1.699 40 0 CDABLO Cc1nnc(CN(CC[N@H+]2CCOC[C@H]2C)C(C)(C)C)o1 ZINC000330031997 374838637 /nfs/dbraw/zinc/83/86/37/374838637.db2.gz HDAUBAFIJZESMS-GFCCVEGCSA-N 1 2 296.415 1.699 40 0 CDABLO Cc1nnc(CN(CC[N@@H+]2CCOC[C@H]2C)C(C)(C)C)o1 ZINC000330031997 374838644 /nfs/dbraw/zinc/83/86/44/374838644.db2.gz HDAUBAFIJZESMS-GFCCVEGCSA-N 1 2 296.415 1.699 40 0 CDABLO c1coc(C[NH+]2CCN(c3nccn4ccnc34)CC2)c1 ZINC000306133608 374970010 /nfs/dbraw/zinc/97/00/10/374970010.db2.gz MQULRVVMDFWXOJ-UHFFFAOYSA-N 1 2 283.335 1.645 40 0 CDABLO O=C(CCCn1cc[nH+]c1)N1CCC(c2cnccn2)CC1 ZINC000257226560 190015679 /nfs/dbraw/zinc/01/56/79/190015679.db2.gz FLDRFPKFLVLZJT-UHFFFAOYSA-N 1 2 299.378 1.860 40 0 CDABLO c1nnc(Nc2cc(C[C@@H]3CCC[NH2+]C3)ncn2)s1 ZINC000257243751 190018469 /nfs/dbraw/zinc/01/84/69/190018469.db2.gz IIKLPDIXKCDLLC-VIFPVBQESA-N 1 2 276.369 1.614 40 0 CDABLO C[N@@H+]1CCO[C@](C)(C(=O)Nc2cc(C(C)(C)C)no2)C1 ZINC000257249898 190020284 /nfs/dbraw/zinc/02/02/84/190020284.db2.gz JKEOLXJKPFPAOT-AWEZNQCLSA-N 1 2 281.356 1.631 40 0 CDABLO C[N@H+]1CCO[C@](C)(C(=O)Nc2cc(C(C)(C)C)no2)C1 ZINC000257249898 190020285 /nfs/dbraw/zinc/02/02/85/190020285.db2.gz JKEOLXJKPFPAOT-AWEZNQCLSA-N 1 2 281.356 1.631 40 0 CDABLO CCN(CC)S(=O)(=O)N1CC[C@H](c2[nH]c(C)c[nH+]2)C1 ZINC000257272599 190024602 /nfs/dbraw/zinc/02/46/02/190024602.db2.gz NDAIMGOEJIWWGC-NSHDSACASA-N 1 2 286.401 1.094 40 0 CDABLO CNC(=O)[C@@]1(c2cnccn2)CCC[N@@H+]1Cc1ccccc1 ZINC000257315782 190032490 /nfs/dbraw/zinc/03/24/90/190032490.db2.gz VCTBPLHTWFUTRX-KRWDZBQOSA-N 1 2 296.374 1.714 40 0 CDABLO CNC(=O)[C@@]1(c2cnccn2)CCC[N@H+]1Cc1ccccc1 ZINC000257315782 190032491 /nfs/dbraw/zinc/03/24/91/190032491.db2.gz VCTBPLHTWFUTRX-KRWDZBQOSA-N 1 2 296.374 1.714 40 0 CDABLO Cc1cn(C)c([C@@H]2CCN(C(=O)C[NH+]3CCCCC3)C2)n1 ZINC000257325874 190034194 /nfs/dbraw/zinc/03/41/94/190034194.db2.gz WUUQKXDGGPBEBF-CQSZACIVSA-N 1 2 290.411 1.530 40 0 CDABLO CC[C@@H](O)c1c[nH+]c(N2CCN(C(C)=O)CC2)c(C)c1 ZINC000072222692 390624229 /nfs/dbraw/zinc/62/42/29/390624229.db2.gz TUPWXWAKSSUYDY-CQSZACIVSA-N 1 2 277.368 1.502 40 0 CDABLO Cc1cccc(N2C(=[NH2+])S[C@H]3CS(=O)(=O)C[C@@H]32)c1C ZINC000026505275 391539767 /nfs/dbraw/zinc/53/97/67/391539767.db2.gz JEJGQAOQDYDXOB-RYUDHWBXSA-N 1 2 296.417 1.957 40 0 CDABLO C1=CC[C@@H]([C@@H]2OC[C@H](COCC[NH+]3CCOCC3)O2)CC1 ZINC000033676025 392006966 /nfs/dbraw/zinc/00/69/66/392006966.db2.gz JVWDPRYVPFMYDU-OWCLPIDISA-N 1 2 297.395 1.433 40 0 CDABLO C[NH+]1CCN(C(=O)Cn2cc(C=O)c3ccccc32)CC1 ZINC000022225484 171380090 /nfs/dbraw/zinc/38/00/90/171380090.db2.gz PPDAXRGFLFDNKH-UHFFFAOYSA-N 1 2 285.347 1.228 40 0 CDABLO C[NH+]1CCN(C(=O)c2ccc(Cn3ccnc3)cc2)CC1 ZINC000038858531 174157904 /nfs/dbraw/zinc/15/79/04/174157904.db2.gz FVUCJFSDJGXXKY-UHFFFAOYSA-N 1 2 284.363 1.319 40 0 CDABLO COc1cc(C(=O)N2CC[NH+](C)CC2)cc2occc21 ZINC000072240080 176347927 /nfs/dbraw/zinc/34/79/27/176347927.db2.gz MSFMSHMSAKYFPU-UHFFFAOYSA-N 1 2 274.320 1.829 40 0 CDABLO CC(=O)N1CCC(c2cncc(-n3cc[nH+]c3)n2)CC1 ZINC000072355401 176375022 /nfs/dbraw/zinc/37/50/22/176375022.db2.gz SPBMNUWVDBCYGU-UHFFFAOYSA-N 1 2 271.324 1.388 40 0 CDABLO Cc1ccccc1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000108530183 302079719 /nfs/dbraw/zinc/07/97/19/302079719.db2.gz FKWHFCRMNOOGCC-GJZGRUSLSA-N 1 2 274.364 1.540 40 0 CDABLO Cc1ccccc1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000108530183 302079720 /nfs/dbraw/zinc/07/97/20/302079720.db2.gz FKWHFCRMNOOGCC-GJZGRUSLSA-N 1 2 274.364 1.540 40 0 CDABLO Cc1ccc([C@H]([NH3+])c2nnc(Cn3cccn3)[nH]2)cc1 ZINC000095534124 185005590 /nfs/dbraw/zinc/00/55/90/185005590.db2.gz TXDKDFXUIFOKKJ-ZDUSSCGKSA-N 1 2 268.324 1.406 40 0 CDABLO CCOc1ccc([C@H]([NH3+])c2nc(CO)n[nH]2)cc1OCC ZINC000095534626 185006717 /nfs/dbraw/zinc/00/67/17/185006717.db2.gz GFSJIPNQAVNKJK-ZDUSSCGKSA-N 1 2 292.339 1.143 40 0 CDABLO COCCc1c[nH+]c2n1CCN(C(=O)c1ccco1)[C@@H]2C ZINC000585097756 342211560 /nfs/dbraw/zinc/21/15/60/342211560.db2.gz NVWQLBIPMPBZIO-LLVKDONJSA-N 1 2 289.335 1.882 40 0 CDABLO Cc1cncc(CO[C@@H]2CCOC3(C[NH+](C)C3)C2)c1 ZINC000253602854 362441335 /nfs/dbraw/zinc/44/13/35/362441335.db2.gz GFKKIXWRXPJPGV-CQSZACIVSA-N 1 2 262.353 1.770 40 0 CDABLO Cc1ccc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000041392660 362569475 /nfs/dbraw/zinc/56/94/75/362569475.db2.gz WKMLAYBGAWYSTM-CYBMUJFWSA-N 1 2 253.367 1.614 40 0 CDABLO Cc1ccc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000041392660 362569482 /nfs/dbraw/zinc/56/94/82/362569482.db2.gz WKMLAYBGAWYSTM-CYBMUJFWSA-N 1 2 253.367 1.614 40 0 CDABLO O=C(NCC[NH+]1CCOCC1)Nc1ccc(F)cc1 ZINC000019335510 356480414 /nfs/dbraw/zinc/48/04/14/356480414.db2.gz AXKMVCYHZPBIPZ-UHFFFAOYSA-N 1 2 267.304 1.279 40 0 CDABLO Cc1cc(N2CCC(C)(c3nncn3C)CC2)nc[nH+]1 ZINC000072385518 357831770 /nfs/dbraw/zinc/83/17/70/357831770.db2.gz RRWACXCKFHRMAC-UHFFFAOYSA-N 1 2 272.356 1.472 40 0 CDABLO COC[C@H]1Cn2cc[nH+]c2CN(C(=O)Cc2ccccc2)C1 ZINC000096187751 358715110 /nfs/dbraw/zinc/71/51/10/358715110.db2.gz SEQRWHNDBHSGGS-HNNXBMFYSA-N 1 2 299.374 1.731 40 0 CDABLO COC[C@@H]1Cn2cc[nH+]c2CN(C(=O)N2CCCC2)C1 ZINC000096187784 358715565 /nfs/dbraw/zinc/71/55/65/358715565.db2.gz CBLIPDKVCUMMCS-GFCCVEGCSA-N 1 2 278.356 1.177 40 0 CDABLO COC[C@@H]1C[N@H+](Cc2cnn(C(C)C)c2)C[C@@H](C)O1 ZINC000225493759 374549364 /nfs/dbraw/zinc/54/93/64/374549364.db2.gz PMUKBZCKMOZVDL-OCCSQVGLSA-N 1 2 267.373 1.700 40 0 CDABLO COC[C@@H]1C[N@@H+](Cc2cnn(C(C)C)c2)C[C@@H](C)O1 ZINC000225493759 374549368 /nfs/dbraw/zinc/54/93/68/374549368.db2.gz PMUKBZCKMOZVDL-OCCSQVGLSA-N 1 2 267.373 1.700 40 0 CDABLO O=C1C[N@H+](CCOc2ccc(Cl)cc2)CCN1 ZINC000057450364 375503500 /nfs/dbraw/zinc/50/35/00/375503500.db2.gz NHQWPCDWGNSRQF-UHFFFAOYSA-N 1 2 254.717 1.151 40 0 CDABLO O=C1C[N@@H+](CCOc2ccc(Cl)cc2)CCN1 ZINC000057450364 375503511 /nfs/dbraw/zinc/50/35/11/375503511.db2.gz NHQWPCDWGNSRQF-UHFFFAOYSA-N 1 2 254.717 1.151 40 0 CDABLO Cc1cc(C[NH2+]Cc2ccn(C(F)F)n2)n(C)n1 ZINC000256053601 190004825 /nfs/dbraw/zinc/00/48/25/190004825.db2.gz SBLJVQZMEYCCKV-UHFFFAOYSA-N 1 2 255.272 1.610 40 0 CDABLO CCn1ccc(C[NH2+]Cc2cnn(CCF)c2)n1 ZINC000256054471 190005407 /nfs/dbraw/zinc/00/54/07/190005407.db2.gz WLGFUHFWEKMVMI-UHFFFAOYSA-N 1 2 251.309 1.359 40 0 CDABLO C[C@]1(c2cc[nH]n2)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000257239183 190017859 /nfs/dbraw/zinc/01/78/59/190017859.db2.gz HOGKWKNVKJEQFR-AWEZNQCLSA-N 1 2 273.340 1.187 40 0 CDABLO CCc1nnc(C[N@H+]2CCC[C@H](c3nncn3CC)C2)o1 ZINC000328604758 375889980 /nfs/dbraw/zinc/88/99/80/375889980.db2.gz IXCHJAUMKXGXCH-NSHDSACASA-N 1 2 290.371 1.623 40 0 CDABLO CCc1nnc(C[N@@H+]2CCC[C@H](c3nncn3CC)C2)o1 ZINC000328604758 375889985 /nfs/dbraw/zinc/88/99/85/375889985.db2.gz IXCHJAUMKXGXCH-NSHDSACASA-N 1 2 290.371 1.623 40 0 CDABLO CCCNC(=O)CN1CCCC[C@H]1c1[nH+]ccn1CC ZINC000281100249 195104854 /nfs/dbraw/zinc/10/48/54/195104854.db2.gz VWWKOGSLEIUJBZ-ZDUSSCGKSA-N 1 2 278.400 1.956 40 0 CDABLO c1c(CNc2cccc[nH+]2)nc2n1CCN([C@H]1CCOC1)C2 ZINC000096197520 256817890 /nfs/dbraw/zinc/81/78/90/256817890.db2.gz REMSXVTWTONSJB-AWEZNQCLSA-N 1 2 299.378 1.495 40 0 CDABLO CCN1CC[NH+]([C@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000022585951 171393223 /nfs/dbraw/zinc/39/32/23/171393223.db2.gz BABAQWACRPWCAH-CQSZACIVSA-N 1 2 269.433 1.658 40 0 CDABLO CN(CCO)C(=O)[C@@H]1Nc2[nH+]cccc2Cc2ccccc21 ZINC000038600360 174149196 /nfs/dbraw/zinc/14/91/96/174149196.db2.gz UVYLJXBAHSKFIZ-OAHLLOKOSA-N 1 2 297.358 1.590 40 0 in-vitro CDABLO O=C(c1cscn1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000072351092 176374569 /nfs/dbraw/zinc/37/45/69/176374569.db2.gz QPIGXLRMGIHOKA-UHFFFAOYSA-N 1 2 288.376 1.891 40 0 CDABLO COCc1nc(C2CC[NH+](Cc3nccn3C)CC2)no1 ZINC000072364300 176379681 /nfs/dbraw/zinc/37/96/81/176379681.db2.gz ZASWFJMFSVMIQB-UHFFFAOYSA-N 1 2 291.355 1.329 40 0 CDABLO Cn1ccnc1C[N@@H+]1CCC[C@@H]1c1ccnc2nccn21 ZINC000072368056 176382643 /nfs/dbraw/zinc/38/26/43/176382643.db2.gz YYLIFTMRAWHGSW-GFCCVEGCSA-N 1 2 282.351 1.800 40 0 CDABLO Cn1ccnc1C[N@H+]1CCC[C@@H]1c1ccnc2nccn21 ZINC000072368056 176382645 /nfs/dbraw/zinc/38/26/45/176382645.db2.gz YYLIFTMRAWHGSW-GFCCVEGCSA-N 1 2 282.351 1.800 40 0 CDABLO C[N@@H+]1CCC[C@@H](c2ccnc(Nc3ncccn3)n2)C1 ZINC000072377381 176385602 /nfs/dbraw/zinc/38/56/02/176385602.db2.gz TUMAEFVOWAIALW-LLVKDONJSA-N 1 2 270.340 1.819 40 0 CDABLO C[N@H+]1CCC[C@@H](c2ccnc(Nc3ncccn3)n2)C1 ZINC000072377381 176385603 /nfs/dbraw/zinc/38/56/03/176385603.db2.gz TUMAEFVOWAIALW-LLVKDONJSA-N 1 2 270.340 1.819 40 0 CDABLO Cc1nc(Nc2nncs2)cc([C@H]2CC[N@@H+](C)C2)n1 ZINC000072382625 176388310 /nfs/dbraw/zinc/38/83/10/176388310.db2.gz SWADDLTXKFMHGU-VIFPVBQESA-N 1 2 276.369 1.799 40 0 CDABLO Cc1nc(Nc2nncs2)cc([C@H]2CC[N@H+](C)C2)n1 ZINC000072382625 176388312 /nfs/dbraw/zinc/38/83/12/176388312.db2.gz SWADDLTXKFMHGU-VIFPVBQESA-N 1 2 276.369 1.799 40 0 CDABLO C[C@H](Cn1nnc2ccccc21)C(=O)NCc1[nH]cc[nH+]1 ZINC000072390444 176394011 /nfs/dbraw/zinc/39/40/11/176394011.db2.gz AHQKGPIFCGPDAP-SNVBAGLBSA-N 1 2 284.323 1.107 40 0 CDABLO COc1ccccc1CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000077875410 177306016 /nfs/dbraw/zinc/30/60/16/177306016.db2.gz FNSOVJOYLASHEM-LLVKDONJSA-N 1 2 285.347 1.840 40 0 CDABLO COc1ccccc1CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000077875410 177306018 /nfs/dbraw/zinc/30/60/18/177306018.db2.gz FNSOVJOYLASHEM-LLVKDONJSA-N 1 2 285.347 1.840 40 0 CDABLO CC(C)C[NH+]1CC(=O)N2Cc3ccccc3CN2C(=O)C1 ZINC000001579239 277382422 /nfs/dbraw/zinc/38/24/22/277382422.db2.gz HUQPVVTXTXEMPF-UHFFFAOYSA-N 1 2 287.363 1.244 40 0 CDABLO Cn1cnc2c1[C@H](C(=O)N1CCCC1)[N@H+](CC1CC1)CC2 ZINC000096147176 303023028 /nfs/dbraw/zinc/02/30/28/303023028.db2.gz QZKQPWNEJNLLPU-OAHLLOKOSA-N 1 2 288.395 1.352 40 0 CDABLO Cn1cnc2c1[C@H](C(=O)N1CCCC1)[N@@H+](CC1CC1)CC2 ZINC000096147176 303023029 /nfs/dbraw/zinc/02/30/29/303023029.db2.gz QZKQPWNEJNLLPU-OAHLLOKOSA-N 1 2 288.395 1.352 40 0 CDABLO C[C@@H]1c2[nH+]cc(Cn3cccn3)n2CCN1C(=O)N(C)C ZINC000096062078 185082744 /nfs/dbraw/zinc/08/27/44/185082744.db2.gz SYSBGAAQAZVPMF-LLVKDONJSA-N 1 2 288.355 1.186 40 0 CDABLO C[N@H+]1Cc2ccnn2[C@H](CCNC(=O)C2CC(F)(F)C2)C1 ZINC000585111942 342213357 /nfs/dbraw/zinc/21/33/57/342213357.db2.gz DYCSTNURMWRPQG-LLVKDONJSA-N 1 2 298.337 1.421 40 0 CDABLO C[N@@H+]1Cc2ccnn2[C@H](CCNC(=O)C2CC(F)(F)C2)C1 ZINC000585111942 342213358 /nfs/dbraw/zinc/21/33/58/342213358.db2.gz DYCSTNURMWRPQG-LLVKDONJSA-N 1 2 298.337 1.421 40 0 CDABLO Cc1ccc(OC[C@]2(O)CC[N@H+](Cc3ncc[nH]3)C2)cc1 ZINC000585275102 342255901 /nfs/dbraw/zinc/25/59/01/342255901.db2.gz WRILEOGVSUHSCY-INIZCTEOSA-N 1 2 287.363 1.734 40 0 CDABLO Cc1ccc(OC[C@]2(O)CC[N@@H+](Cc3ncc[nH]3)C2)cc1 ZINC000585275102 342255902 /nfs/dbraw/zinc/25/59/02/342255902.db2.gz WRILEOGVSUHSCY-INIZCTEOSA-N 1 2 287.363 1.734 40 0 CDABLO C[N@H+]1Cc2cc3c(c(Br)c2[C@H](O)C1)OCO3 ZINC000095470371 283253012 /nfs/dbraw/zinc/25/30/12/283253012.db2.gz DCVYBVWTACNDFD-SSDOTTSWSA-N 1 2 286.125 1.657 40 0 CDABLO C[N@@H+]1Cc2cc3c(c(Br)c2[C@H](O)C1)OCO3 ZINC000095470371 283253017 /nfs/dbraw/zinc/25/30/17/283253017.db2.gz DCVYBVWTACNDFD-SSDOTTSWSA-N 1 2 286.125 1.657 40 0 CDABLO O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CNc1cccc[nH+]1 ZINC000033927676 359368677 /nfs/dbraw/zinc/36/86/77/359368677.db2.gz HZVSMZWSNYLOEL-NIFPGPBJSA-N 1 2 269.304 1.258 40 0 CDABLO COc1cccc(-c2nc(NCCO)cc(C)[nH+]2)c1 ZINC000225325835 359577017 /nfs/dbraw/zinc/57/70/17/359577017.db2.gz YVOFMISYQIEFPU-UHFFFAOYSA-N 1 2 259.309 1.865 40 0 CDABLO CNc1nc(NC[C@H](C)CO)[nH+]cc1Br ZINC000131761594 375339125 /nfs/dbraw/zinc/33/91/25/375339125.db2.gz VRGACDBELPCJRL-LURJTMIESA-N 1 2 275.150 1.321 40 0 CDABLO O=C(C[N@@H+]1CCO[C@@H]2CCC[C@H]21)NCc1ccc(F)cc1 ZINC000230082278 375498965 /nfs/dbraw/zinc/49/89/65/375498965.db2.gz KLOKVXDQAWXXLG-HUUCEWRRSA-N 1 2 292.354 1.695 40 0 CDABLO O=C(C[N@H+]1CCO[C@@H]2CCC[C@H]21)NCc1ccc(F)cc1 ZINC000230082278 375498966 /nfs/dbraw/zinc/49/89/66/375498966.db2.gz KLOKVXDQAWXXLG-HUUCEWRRSA-N 1 2 292.354 1.695 40 0 CDABLO COc1ccc([C@@]23CCC(=O)N2CCC[NH2+]3)cc1OC ZINC000256028090 190002084 /nfs/dbraw/zinc/00/20/84/190002084.db2.gz SIIBVDFDURQMDM-OAHLLOKOSA-N 1 2 276.336 1.472 40 0 CDABLO Cn1ccc(C[NH2+]Cc2cnn(CC(F)(F)F)c2)n1 ZINC000256053669 190004636 /nfs/dbraw/zinc/00/46/36/190004636.db2.gz SILBHEWVVGSIRX-UHFFFAOYSA-N 1 2 273.262 1.469 40 0 CDABLO O=C(Cn1cc[nH+]c1)N1CCCC[C@H]1c1cc[nH]n1 ZINC000257242703 190018692 /nfs/dbraw/zinc/01/86/92/190018692.db2.gz IDSXXXOXOCTCHK-LBPRGKRZSA-N 1 2 259.313 1.360 40 0 CDABLO CCc1cc(C(=O)N2CCOC[C@H]2c2[nH]cc(C)[nH+]2)on1 ZINC000257255134 190021026 /nfs/dbraw/zinc/02/10/26/190021026.db2.gz KGFROTROFUNTMR-NSHDSACASA-N 1 2 290.323 1.482 40 0 CDABLO Cc1c[nH+]c2n1C[C@H](c1ccccc1)N(S(C)(=O)=O)C2 ZINC000257257415 190021653 /nfs/dbraw/zinc/02/16/53/190021653.db2.gz KPMXCVFVIVGBIL-CYBMUJFWSA-N 1 2 291.376 1.708 40 0 CDABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)c2cnc(C)cn2)[nH+]1 ZINC000257309644 190030900 /nfs/dbraw/zinc/03/09/00/190030900.db2.gz UBUAIWSFVHMIRX-ZDUSSCGKSA-N 1 2 285.351 1.804 40 0 CDABLO C[NH2+][C@H]1CC[C@@](CNC(C)=O)(c2ccccc2)CC[C@@H]1O ZINC000257325767 190034183 /nfs/dbraw/zinc/03/41/83/190034183.db2.gz WUHUHIAYQSWOAQ-YESZJQIVSA-N 1 2 290.407 1.583 40 0 CDABLO Cc1cc(C)nc([C@H]2CC[N@H+](Cc3cnc[nH]3)C2)n1 ZINC000257332810 190035918 /nfs/dbraw/zinc/03/59/18/190035918.db2.gz XYSZBIDIVHOUOO-LBPRGKRZSA-N 1 2 257.341 1.806 40 0 CDABLO Cc1cc(C)nc([C@H]2CC[N@@H+](Cc3cnc[nH]3)C2)n1 ZINC000257332810 190035919 /nfs/dbraw/zinc/03/59/19/190035919.db2.gz XYSZBIDIVHOUOO-LBPRGKRZSA-N 1 2 257.341 1.806 40 0 CDABLO Cc1cnc([C@H]2CN(Cc3[nH]cc[nH+]3)CCO2)cn1 ZINC000257340589 190036809 /nfs/dbraw/zinc/03/68/09/190036809.db2.gz ZGUVWPTYAJINJO-GFCCVEGCSA-N 1 2 259.313 1.082 40 0 CDABLO CC[C@@H](C(=O)NCc1ccc[nH]1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000330466996 376140461 /nfs/dbraw/zinc/14/04/61/376140461.db2.gz XRTALBDQFDZQIB-KBPBESRZSA-N 1 2 279.384 1.520 40 0 CDABLO CC[C@@H](C(=O)NCc1ccc[nH]1)[N@H+]1CCO[C@@H](CC)C1 ZINC000330466996 376140462 /nfs/dbraw/zinc/14/04/62/376140462.db2.gz XRTALBDQFDZQIB-KBPBESRZSA-N 1 2 279.384 1.520 40 0 CDABLO c1nn(-c2ccccn2)c2nc[nH+]c(NC[C@@H]3CCCO3)c12 ZINC000041529154 379391959 /nfs/dbraw/zinc/39/19/59/379391959.db2.gz CFFYFAZLQXTCHT-NSHDSACASA-N 1 2 296.334 1.801 40 0 CDABLO O=CN1CCC[C@H]1c1ccc[nH+]c1N1CCOCC1 ZINC000072216209 390620655 /nfs/dbraw/zinc/62/06/55/390620655.db2.gz QRAYAMHKBKZHBO-ZDUSSCGKSA-N 1 2 261.325 1.212 40 0 CDABLO COC[C@@H]1Cn2ccnc2C[N@H+](Cc2ccccn2)C1 ZINC000096059075 390912290 /nfs/dbraw/zinc/91/22/90/390912290.db2.gz DDSNQZXLARIRNR-ZDUSSCGKSA-N 1 2 272.352 1.557 40 0 CDABLO COC[C@@H]1Cn2ccnc2C[N@@H+](Cc2ccccn2)C1 ZINC000096059075 390912291 /nfs/dbraw/zinc/91/22/91/390912291.db2.gz DDSNQZXLARIRNR-ZDUSSCGKSA-N 1 2 272.352 1.557 40 0 CDABLO COc1ccc([C@H](C[NH3+])[N@@H+]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000248255447 286372708 /nfs/dbraw/zinc/37/27/08/286372708.db2.gz RWYGQCFWBARQPA-YPMHNXCESA-N 1 2 264.325 1.102 40 0 CDABLO COc1ccc([C@H](C[NH3+])[N@H+]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000248255447 286372709 /nfs/dbraw/zinc/37/27/09/286372709.db2.gz RWYGQCFWBARQPA-YPMHNXCESA-N 1 2 264.325 1.102 40 0 CDABLO C[C@H]1C[N@H+](Cc2ccco2)CCN1C(=O)c1cnccn1 ZINC000072324133 176369689 /nfs/dbraw/zinc/36/96/89/176369689.db2.gz NPWTYVRTSAUYFN-LBPRGKRZSA-N 1 2 286.335 1.416 40 0 CDABLO C[C@H]1C[N@@H+](Cc2ccco2)CCN1C(=O)c1cnccn1 ZINC000072324133 176369690 /nfs/dbraw/zinc/36/96/90/176369690.db2.gz NPWTYVRTSAUYFN-LBPRGKRZSA-N 1 2 286.335 1.416 40 0 CDABLO CC(=O)N1CCC[C@@H](Cc2cnc(-n3cc[nH+]c3)cn2)C1 ZINC000072364816 176380248 /nfs/dbraw/zinc/38/02/48/176380248.db2.gz UQLUZJIUUDBJAK-ZDUSSCGKSA-N 1 2 285.351 1.463 40 0 CDABLO Cc1cc(N2CC[C@@H](c3ccnc(N)n3)C2)nc[nH+]1 ZINC000072385566 176390652 /nfs/dbraw/zinc/39/06/52/176390652.db2.gz OWPZFWVNGPLKTN-SNVBAGLBSA-N 1 2 256.313 1.151 40 0 CDABLO CCC[N@H+](CCn1nc(C)cc1C)CC(=O)OC ZINC000077655044 177290928 /nfs/dbraw/zinc/29/09/28/177290928.db2.gz HEGKHRYKIVFKFE-UHFFFAOYSA-N 1 2 253.346 1.385 40 0 CDABLO CCC[N@@H+](CCn1nc(C)cc1C)CC(=O)OC ZINC000077655044 177290929 /nfs/dbraw/zinc/29/09/29/177290929.db2.gz HEGKHRYKIVFKFE-UHFFFAOYSA-N 1 2 253.346 1.385 40 0 CDABLO CC(C)(C)OC(=O)N1CCC(O)(c2c[nH]c[nH+]2)CC1 ZINC000026898733 277181262 /nfs/dbraw/zinc/18/12/62/277181262.db2.gz DKRXNASSCMPJDV-UHFFFAOYSA-N 1 2 267.329 1.628 40 0 CDABLO CCn1cc(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)cn1 ZINC000130501141 536033054 /nfs/dbraw/zinc/03/30/54/536033054.db2.gz SYGJOUDXRBUMRY-AWEZNQCLSA-N 1 2 299.378 1.697 40 0 CDABLO CNC(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3csc(C)n3)C[C@H]2O1 ZINC000096042744 185069875 /nfs/dbraw/zinc/06/98/75/185069875.db2.gz AFDRWLUYQASCHI-CYZMBNFOSA-N 1 2 295.408 1.177 40 0 CDABLO CNC(=O)[C@H]1C[C@@H]2CC[N@@H+](Cc3csc(C)n3)C[C@H]2O1 ZINC000096042744 185069876 /nfs/dbraw/zinc/06/98/76/185069876.db2.gz AFDRWLUYQASCHI-CYZMBNFOSA-N 1 2 295.408 1.177 40 0 CDABLO COC[C@@H]1C[N@H+](Cc2ccco2)Cc2nn(C)cc21 ZINC000096060347 185080155 /nfs/dbraw/zinc/08/01/55/185080155.db2.gz YHISCSJAFCETSX-NSHDSACASA-N 1 2 261.325 1.759 40 0 CDABLO COC[C@@H]1C[N@@H+](Cc2ccco2)Cc2nn(C)cc21 ZINC000096060347 185080156 /nfs/dbraw/zinc/08/01/56/185080156.db2.gz YHISCSJAFCETSX-NSHDSACASA-N 1 2 261.325 1.759 40 0 CDABLO Cc1noc(C)c1C[N@@H+]1Cc2ccnn2CC[C@@H]1CO ZINC000585096720 342211854 /nfs/dbraw/zinc/21/18/54/342211854.db2.gz BECPWETWKAZMOI-CYBMUJFWSA-N 1 2 276.340 1.255 40 0 CDABLO Cc1noc(C)c1C[N@H+]1Cc2ccnn2CC[C@@H]1CO ZINC000585096720 342211855 /nfs/dbraw/zinc/21/18/55/342211855.db2.gz BECPWETWKAZMOI-CYBMUJFWSA-N 1 2 276.340 1.255 40 0 CDABLO Cc1ccccc1OC[C@@]1(O)CC[N@H+](Cc2cc[nH]n2)C1 ZINC000585275003 342255963 /nfs/dbraw/zinc/25/59/63/342255963.db2.gz SXEHZIGNODIFOQ-MRXNPFEDSA-N 1 2 287.363 1.734 40 0 CDABLO Cc1ccccc1OC[C@@]1(O)CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000585275003 342255964 /nfs/dbraw/zinc/25/59/64/342255964.db2.gz SXEHZIGNODIFOQ-MRXNPFEDSA-N 1 2 287.363 1.734 40 0 CDABLO COCCC(=O)N1CC[N@H+](C)[C@@H](c2ccc(OC)cc2)C1 ZINC000257265554 362582266 /nfs/dbraw/zinc/58/22/66/362582266.db2.gz LZDKREMFLOCJNU-OAHLLOKOSA-N 1 2 292.379 1.547 40 0 CDABLO COCCC(=O)N1CC[N@@H+](C)[C@@H](c2ccc(OC)cc2)C1 ZINC000257265554 362582269 /nfs/dbraw/zinc/58/22/69/362582269.db2.gz LZDKREMFLOCJNU-OAHLLOKOSA-N 1 2 292.379 1.547 40 0 CDABLO CN(C)c1nc(N2CCOCC2)c2ccccc2[nH+]1 ZINC000004186282 363205181 /nfs/dbraw/zinc/20/51/81/363205181.db2.gz KWVSBXRNTXCQCX-UHFFFAOYSA-N 1 2 258.325 1.532 40 0 CDABLO CCOC(=O)C[C@H](C(=O)OCC)[NH+]1CCCCC1 ZINC000090471048 358477266 /nfs/dbraw/zinc/47/72/66/358477266.db2.gz LFPMXVZGCHUQTA-LLVKDONJSA-N 1 2 257.330 1.357 40 0 CDABLO C[N@H+](Cc1ccc2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 ZINC000019586452 356492007 /nfs/dbraw/zinc/49/20/07/356492007.db2.gz YJVHFMUVUJPTDA-CQSZACIVSA-N 1 2 290.388 1.854 40 0 CDABLO C[N@@H+](Cc1ccc2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 ZINC000019586452 356492009 /nfs/dbraw/zinc/49/20/09/356492009.db2.gz YJVHFMUVUJPTDA-CQSZACIVSA-N 1 2 290.388 1.854 40 0 CDABLO C[C@H]1CCCN(C(=O)c2cc3c(nc2N)CC[N@H+](C)C3)C1 ZINC000019700565 356495868 /nfs/dbraw/zinc/49/58/68/356495868.db2.gz IIGBDMGYHQMUNE-NSHDSACASA-N 1 2 288.395 1.524 40 0 CDABLO C[C@H]1CCCN(C(=O)c2cc3c(nc2N)CC[N@@H+](C)C3)C1 ZINC000019700565 356495870 /nfs/dbraw/zinc/49/58/70/356495870.db2.gz IIGBDMGYHQMUNE-NSHDSACASA-N 1 2 288.395 1.524 40 0 CDABLO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC(CO)CC1 ZINC000037896622 356552250 /nfs/dbraw/zinc/55/22/50/356552250.db2.gz IJHVXRQJPGGGJJ-UHFFFAOYSA-N 1 2 286.335 1.112 40 0 CDABLO Cc1cc(N2CCN(c3nccs3)CC2)nc[nH+]1 ZINC000072368989 357831423 /nfs/dbraw/zinc/83/14/23/357831423.db2.gz FOOJAAAOSBCYAK-UHFFFAOYSA-N 1 2 261.354 1.568 40 0 CDABLO c1cn(-c2cccc(OCc3nnnn3C3CC3)c2)c[nH+]1 ZINC000072674249 358550303 /nfs/dbraw/zinc/55/03/03/358550303.db2.gz DDPPNTLQPVXAMT-UHFFFAOYSA-N 1 2 282.307 1.773 40 0 CDABLO CC[C@@H](C)[N@H+]1Cc2c(n(C)nc2C(=O)N2CCOCC2)C1 ZINC000096187555 358715297 /nfs/dbraw/zinc/71/52/97/358715297.db2.gz GMOFJRFKXISOSS-LLVKDONJSA-N 1 2 292.383 1.007 40 0 CDABLO CC[C@@H](C)[N@@H+]1Cc2c(n(C)nc2C(=O)N2CCOCC2)C1 ZINC000096187555 358715300 /nfs/dbraw/zinc/71/53/00/358715300.db2.gz GMOFJRFKXISOSS-LLVKDONJSA-N 1 2 292.383 1.007 40 0 CDABLO COC(=O)NCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000038590526 367465085 /nfs/dbraw/zinc/46/50/85/367465085.db2.gz LUCFSTQQRLFATG-UHFFFAOYSA-N 1 2 281.331 1.304 40 0 CDABLO COC(=O)[C@H]1CC[N@H+](Cc2ncc(C)o2)C[C@@H]1C ZINC000225600778 375169524 /nfs/dbraw/zinc/16/95/24/375169524.db2.gz QXPDCAIHWBUQQB-ONGXEEELSA-N 1 2 252.314 1.614 40 0 CDABLO COC(=O)[C@H]1CC[N@@H+](Cc2ncc(C)o2)C[C@@H]1C ZINC000225600778 375169530 /nfs/dbraw/zinc/16/95/30/375169530.db2.gz QXPDCAIHWBUQQB-ONGXEEELSA-N 1 2 252.314 1.614 40 0 CDABLO CCn1ccc(C[NH2+]Cc2cnn(CC(F)F)c2C)n1 ZINC000256051816 190003565 /nfs/dbraw/zinc/00/35/65/190003565.db2.gz KOSUFUILPXYZBE-UHFFFAOYSA-N 1 2 283.326 1.963 40 0 CDABLO CC[N@H+](Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000058017223 375634708 /nfs/dbraw/zinc/63/47/08/375634708.db2.gz MAGWZCMMFAWCTI-ZDUSSCGKSA-N 1 2 271.357 1.835 40 0 CDABLO CC[N@@H+](Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000058017223 375634717 /nfs/dbraw/zinc/63/47/17/375634717.db2.gz MAGWZCMMFAWCTI-ZDUSSCGKSA-N 1 2 271.357 1.835 40 0 CDABLO c1c[nH]c(C[NH+]2CCC(c3ccnc4ccnn43)CC2)n1 ZINC000257311133 190032009 /nfs/dbraw/zinc/03/20/09/190032009.db2.gz UIDOWHIQLLAFLF-UHFFFAOYSA-N 1 2 282.351 1.832 40 0 CDABLO CCOC(=O)c1cn(-c2cc[nH+]c3ccccc32)nn1 ZINC000218790048 375896394 /nfs/dbraw/zinc/89/63/94/375896394.db2.gz PVCPJJVUDXCKOI-UHFFFAOYSA-N 1 2 268.276 1.992 40 0 CDABLO c1c[nH+]c(CN2CCO[C@H](CCc3ccncn3)C2)[nH]1 ZINC000257328549 190035208 /nfs/dbraw/zinc/03/52/08/190035208.db2.gz XGDSSVOMQJYDIY-CYBMUJFWSA-N 1 2 273.340 1.033 40 0 CDABLO Cc1nccc([C@@H]2CN(Cc3[nH]cc[nH+]3)CCO2)n1 ZINC000257343946 190037780 /nfs/dbraw/zinc/03/77/80/190037780.db2.gz ZVBPZHNCATVHLX-LBPRGKRZSA-N 1 2 259.313 1.082 40 0 CDABLO CC(C)n1ccnc1C[N@@H+]1C[C@H](O)[C@]2(CCCO2)C1 ZINC000257222770 391648220 /nfs/dbraw/zinc/64/82/20/391648220.db2.gz DUQMKSGWVJFAEQ-JSGCOSHPSA-N 1 2 265.357 1.190 40 0 CDABLO CC(C)n1ccnc1C[N@H+]1C[C@H](O)[C@]2(CCCO2)C1 ZINC000257222770 391648223 /nfs/dbraw/zinc/64/82/23/391648223.db2.gz DUQMKSGWVJFAEQ-JSGCOSHPSA-N 1 2 265.357 1.190 40 0 CDABLO O=C1CC[NH2+][C@@H](c2cccc(Br)c2)N1 ZINC000209247155 392702026 /nfs/dbraw/zinc/70/20/26/392702026.db2.gz BQWZBWMOQDKFRG-SNVBAGLBSA-N 1 2 255.115 1.557 40 0 CDABLO COc1cc2c(cc1OC)[C@@H]1CC(=O)CC[N@@H+]1CC2 ZINC000031739383 286260113 /nfs/dbraw/zinc/26/01/13/286260113.db2.gz RTZZLKNSTLYSOA-ZDUSSCGKSA-N 1 2 261.321 1.966 40 0 CDABLO COc1cc2c(cc1OC)[C@@H]1CC(=O)CC[N@H+]1CC2 ZINC000031739383 286260115 /nfs/dbraw/zinc/26/01/15/286260115.db2.gz RTZZLKNSTLYSOA-ZDUSSCGKSA-N 1 2 261.321 1.966 40 0 CDABLO C1=CC[C@H]([C@H]2OC[C@@H](COCC[NH+]3CCOCC3)O2)CC1 ZINC000016137680 170688427 /nfs/dbraw/zinc/68/84/27/170688427.db2.gz JVWDPRYVPFMYDU-XHSDSOJGSA-N 1 2 297.395 1.433 40 0 CDABLO [NH3+]C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000035622880 172304391 /nfs/dbraw/zinc/30/43/91/172304391.db2.gz OFYQCQTXNGVHCI-CMPLNLGQSA-N 1 2 268.744 1.746 40 0 CDABLO [NH3+]C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000035622880 172304393 /nfs/dbraw/zinc/30/43/93/172304393.db2.gz OFYQCQTXNGVHCI-CMPLNLGQSA-N 1 2 268.744 1.746 40 0 CDABLO Cn1cc(C[N@@H+]2CCC[C@H]2c2cc(CCO)n[nH]2)cn1 ZINC000072364270 176379029 /nfs/dbraw/zinc/37/90/29/176379029.db2.gz UDVSOLIUKASHDX-AWEZNQCLSA-N 1 2 275.356 1.015 40 0 CDABLO Cn1cc(C[N@H+]2CCC[C@H]2c2cc(CCO)n[nH]2)cn1 ZINC000072364270 176379031 /nfs/dbraw/zinc/37/90/31/176379031.db2.gz UDVSOLIUKASHDX-AWEZNQCLSA-N 1 2 275.356 1.015 40 0 CDABLO Cc1cc(N2CCC[C@H]2c2ccnc(N(C)C)n2)nc[nH+]1 ZINC000072364153 176379047 /nfs/dbraw/zinc/37/90/47/176379047.db2.gz CXRQBVWRPIWZGP-ZDUSSCGKSA-N 1 2 284.367 1.983 40 0 CDABLO CN1CCN(C(=O)c2ccccn2)Cc2ccc[nH+]c21 ZINC000096060917 277099339 /nfs/dbraw/zinc/09/93/39/277099339.db2.gz NBZJKXTYDVUHHS-UHFFFAOYSA-N 1 2 268.320 1.569 40 0 CDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2cncs2)[nH+]1 ZINC000257342133 301025144 /nfs/dbraw/zinc/02/51/44/301025144.db2.gz ZNEVMWCLCKAWRQ-SECBINFHSA-N 1 2 278.337 1.388 40 0 CDABLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NCc1ccccc1 ZINC000000402729 482487336 /nfs/dbraw/zinc/48/73/36/482487336.db2.gz ZVJJJFLRYHVRLN-CYBMUJFWSA-N 1 2 259.309 1.284 40 0 CDABLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NCc1ccccc1 ZINC000000402729 482487337 /nfs/dbraw/zinc/48/73/37/482487337.db2.gz ZVJJJFLRYHVRLN-CYBMUJFWSA-N 1 2 259.309 1.284 40 0 CDABLO O=C1CCCN1C[C@H]([NH2+]Cc1ncc[nH]1)c1ccccc1 ZINC000067672695 526977742 /nfs/dbraw/zinc/97/77/42/526977742.db2.gz HPLLOOZPTCGPNL-AWEZNQCLSA-N 1 2 284.363 1.863 40 0 CDABLO C[C@H]1CNc2[nH+]cnc(N3C[C@@H](C)O[C@@H](C)C3)c2C1 ZINC000046087821 1166301608 /nfs/dbraw/zinc/30/16/08/1166301608.db2.gz KRYMXFIMZDDADH-MXWKQRLJSA-N 1 2 262.357 1.694 40 0 CDABLO C[C@H]1CNc2nc[nH+]c(N3C[C@@H](C)O[C@@H](C)C3)c2C1 ZINC000046087821 1166301616 /nfs/dbraw/zinc/30/16/16/1166301616.db2.gz KRYMXFIMZDDADH-MXWKQRLJSA-N 1 2 262.357 1.694 40 0 CDABLO C[C@@H]1c2[nH+]cc(Cn3cncn3)n2CCN1Cc1ccco1 ZINC000096062082 185082577 /nfs/dbraw/zinc/08/25/77/185082577.db2.gz SEULPTVSRIJWES-GFCCVEGCSA-N 1 2 298.350 1.693 40 0 CDABLO c1cnn(Cc2noc3c2C[N@H+](Cc2ccc[nH]2)CC3)c1 ZINC000096084858 185092577 /nfs/dbraw/zinc/09/25/77/185092577.db2.gz SOJKGPJBDNRQIE-UHFFFAOYSA-N 1 2 283.335 1.806 40 0 CDABLO c1cnn(Cc2noc3c2C[N@@H+](Cc2ccc[nH]2)CC3)c1 ZINC000096084858 185092578 /nfs/dbraw/zinc/09/25/78/185092578.db2.gz SOJKGPJBDNRQIE-UHFFFAOYSA-N 1 2 283.335 1.806 40 0 CDABLO Cn1c[nH+]c2c1C[C@H](CO)N(C(=O)CC1=CCCCC1)C2 ZINC000585094843 342211354 /nfs/dbraw/zinc/21/13/54/342211354.db2.gz PNRXSQVNYOSDLR-CYBMUJFWSA-N 1 2 289.379 1.556 40 0 CDABLO CNc1ncccc1CN1CCOC[C@H]1c1[nH]cc(C)[nH+]1 ZINC000585181469 342232656 /nfs/dbraw/zinc/23/26/56/342232656.db2.gz VYGBVFGAJJWXPZ-ZDUSSCGKSA-N 1 2 287.367 1.728 40 0 CDABLO CNc1ncc(C[N@@H+]2CCCC[C@H]2c2ccnc(N)n2)cn1 ZINC000257216394 362577752 /nfs/dbraw/zinc/57/77/52/362577752.db2.gz CUJZIHJZEFBEGZ-ZDUSSCGKSA-N 1 2 299.382 1.618 40 0 CDABLO CNc1ncc(C[N@H+]2CCCC[C@H]2c2ccnc(N)n2)cn1 ZINC000257216394 362577756 /nfs/dbraw/zinc/57/77/56/362577756.db2.gz CUJZIHJZEFBEGZ-ZDUSSCGKSA-N 1 2 299.382 1.618 40 0 CDABLO Cc1ccc(C(=S)NCC[NH+]2CCOCC2)cc1 ZINC000408575230 356000933 /nfs/dbraw/zinc/00/09/33/356000933.db2.gz NHVPCHNXHCIGQL-UHFFFAOYSA-N 1 2 264.394 1.592 40 0 CDABLO Cc1ccc(C(=O)Nc2c(N)nc[nH+]c2N)cc1C ZINC000001749385 355950369 /nfs/dbraw/zinc/95/03/69/355950369.db2.gz DAHMFEVJHPEVOW-UHFFFAOYSA-N 1 2 257.297 1.510 40 0 CDABLO Cc1ccc(-n2ncc3c2nc[nH+]c3NC[C@@H](C)O)cc1 ZINC000004355071 356315511 /nfs/dbraw/zinc/31/55/11/356315511.db2.gz BQOCGMCNQAXYME-LLVKDONJSA-N 1 2 283.335 1.917 40 0 CDABLO CC(=O)N1CC[NH+](Cc2c[nH]c3c2ccnc3Cl)CC1 ZINC000019017836 356474918 /nfs/dbraw/zinc/47/49/18/356474918.db2.gz JIKLIVMJGSRDKX-UHFFFAOYSA-N 1 2 292.770 1.880 40 0 CDABLO COC[C@@H]1Cn2cc[nH+]c2CN(C(=O)Cc2ccccc2)C1 ZINC000096187750 358715437 /nfs/dbraw/zinc/71/54/37/358715437.db2.gz SEQRWHNDBHSGGS-OAHLLOKOSA-N 1 2 299.374 1.731 40 0 CDABLO Cc1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C(C)C)cn1 ZINC000096248685 358726620 /nfs/dbraw/zinc/72/66/20/358726620.db2.gz CDVMEHYRRAZGQA-CABCVRRESA-N 1 2 289.379 1.324 40 0 CDABLO Cc1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C(C)C)cn1 ZINC000096248685 358726625 /nfs/dbraw/zinc/72/66/25/358726625.db2.gz CDVMEHYRRAZGQA-CABCVRRESA-N 1 2 289.379 1.324 40 0 CDABLO O=C(C[N@@H+]1CCO[C@H]2CCC[C@@H]21)NCc1ccc(F)cc1 ZINC000079354437 374796109 /nfs/dbraw/zinc/79/61/09/374796109.db2.gz KLOKVXDQAWXXLG-GJZGRUSLSA-N 1 2 292.354 1.695 40 0 CDABLO O=C(C[N@H+]1CCO[C@H]2CCC[C@@H]21)NCc1ccc(F)cc1 ZINC000079354437 374796117 /nfs/dbraw/zinc/79/61/17/374796117.db2.gz KLOKVXDQAWXXLG-GJZGRUSLSA-N 1 2 292.354 1.695 40 0 CDABLO Cc1nn(C)cc1C[NH2+]Cc1ccn(CC(F)(F)F)n1 ZINC000256053164 190004056 /nfs/dbraw/zinc/00/40/56/190004056.db2.gz QHVOPGMNPJHFDY-UHFFFAOYSA-N 1 2 287.289 1.777 40 0 CDABLO CCn1ccc(C[NH2+]Cc2ccnn2C(F)F)n1 ZINC000256054834 190005627 /nfs/dbraw/zinc/00/56/27/190005627.db2.gz XZTDHTQEQMBERR-UHFFFAOYSA-N 1 2 255.272 1.784 40 0 CDABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3c(C)noc3C)C2)[nH+]1 ZINC000257245525 190019366 /nfs/dbraw/zinc/01/93/66/190019366.db2.gz IPXWICRJYDCGQQ-LBPRGKRZSA-N 1 2 288.351 1.963 40 0 CDABLO Cc1c[nH]c([C@@H]2CN(Cc3[nH+]ccn3C)CCO2)n1 ZINC000257281398 190026107 /nfs/dbraw/zinc/02/61/07/190026107.db2.gz OOZDBRFFVDUQQL-NSHDSACASA-N 1 2 261.329 1.025 40 0 CDABLO Cc1ccsc1C(=O)N[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257273594 190024478 /nfs/dbraw/zinc/02/44/78/190024478.db2.gz NHIGDTZONZGEHD-IJLUTSLNSA-N 1 2 291.376 1.747 40 0 CDABLO Cc1nn(C)cc1C(=O)N1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000257303060 190030036 /nfs/dbraw/zinc/03/00/36/190030036.db2.gz SFQFDDZAMBPLQG-MRXNPFEDSA-N 1 2 298.390 1.857 40 0 CDABLO Cc1nn(C)cc1C(=O)N1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000257303060 190030037 /nfs/dbraw/zinc/03/00/37/190030037.db2.gz SFQFDDZAMBPLQG-MRXNPFEDSA-N 1 2 298.390 1.857 40 0 CDABLO Cc1c[nH]c(-c2cc([C@@H]3CC[N@@H+](C)C3)nc(C)n2)n1 ZINC000257323901 190034115 /nfs/dbraw/zinc/03/41/15/190034115.db2.gz WMIABAQYCFTRDU-LLVKDONJSA-N 1 2 257.341 1.903 40 0 CDABLO Cc1c[nH]c(-c2cc([C@@H]3CC[N@H+](C)C3)nc(C)n2)n1 ZINC000257323901 190034116 /nfs/dbraw/zinc/03/41/16/190034116.db2.gz WMIABAQYCFTRDU-LLVKDONJSA-N 1 2 257.341 1.903 40 0 CDABLO Cc1ncc(C[N@@H+]2CCOC[C@H]2CCc2cnccn2)cn1 ZINC000257328672 190035199 /nfs/dbraw/zinc/03/51/99/190035199.db2.gz XGQUVXZFFCJGNJ-MRXNPFEDSA-N 1 2 299.378 1.409 40 0 CDABLO Cc1ncc(C[N@H+]2CCOC[C@H]2CCc2cnccn2)cn1 ZINC000257328672 190035200 /nfs/dbraw/zinc/03/52/00/190035200.db2.gz XGQUVXZFFCJGNJ-MRXNPFEDSA-N 1 2 299.378 1.409 40 0 CDABLO O=S1(=O)N=C(Cl)Nc2ccc(-n3cc[nH+]c3)cc21 ZINC000095096732 285074161 /nfs/dbraw/zinc/07/41/61/285074161.db2.gz MUEPMONSWDPMPM-UHFFFAOYSA-N 1 2 282.712 1.581 40 0 CDABLO C[N@H+](Cc1ccc2ncccc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000012144416 390202391 /nfs/dbraw/zinc/20/23/91/390202391.db2.gz RNTJEAVOZPAYDI-AWEZNQCLSA-N 1 2 290.388 1.854 40 0 CDABLO C[N@@H+](Cc1ccc2ncccc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000012144416 390202392 /nfs/dbraw/zinc/20/23/92/390202392.db2.gz RNTJEAVOZPAYDI-AWEZNQCLSA-N 1 2 290.388 1.854 40 0 CDABLO COC(=O)c1cc(N)c(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000070462669 390606547 /nfs/dbraw/zinc/60/65/47/390606547.db2.gz CMZPKOBKASYUFP-UHFFFAOYSA-N 1 2 283.759 1.461 40 0 CDABLO Cc1[nH]c2ccc(F)cc2c(=O)c1C[NH+]1CCN(C)CC1 ZINC000022799191 171399312 /nfs/dbraw/zinc/39/93/12/171399312.db2.gz WRMPFLITUCSYLL-UHFFFAOYSA-N 1 2 289.354 1.723 40 0 CDABLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000040477856 174283444 /nfs/dbraw/zinc/28/34/44/174283444.db2.gz HHWLRJLWTKOKPH-HNNXBMFYSA-N 1 2 284.363 1.712 40 0 CDABLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000040477856 174283445 /nfs/dbraw/zinc/28/34/45/174283445.db2.gz HHWLRJLWTKOKPH-HNNXBMFYSA-N 1 2 284.363 1.712 40 0 CDABLO Cc1nn(-c2cccc(C)c2)nc1C(=O)N1CC[NH+](C)CC1 ZINC000059843260 175634103 /nfs/dbraw/zinc/63/41/03/175634103.db2.gz BNNDJMUWVMZHGS-UHFFFAOYSA-N 1 2 299.378 1.272 40 0 CDABLO CC(C)[N@@H+]1CCC[C@@H](c2ncncc2S(C)(=O)=O)C1 ZINC000072356508 176375800 /nfs/dbraw/zinc/37/58/00/176375800.db2.gz KPUNBPQCPGNUBU-LLVKDONJSA-N 1 2 283.397 1.468 40 0 CDABLO CC(C)[N@H+]1CCC[C@@H](c2ncncc2S(C)(=O)=O)C1 ZINC000072356508 176375802 /nfs/dbraw/zinc/37/58/02/176375802.db2.gz KPUNBPQCPGNUBU-LLVKDONJSA-N 1 2 283.397 1.468 40 0 CDABLO CNC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000072366140 176381085 /nfs/dbraw/zinc/38/10/85/176381085.db2.gz BXGCYLFOLFOEFM-ZDUSSCGKSA-N 1 2 285.351 1.501 40 0 CDABLO CNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000072366140 176381087 /nfs/dbraw/zinc/38/10/87/176381087.db2.gz BXGCYLFOLFOEFM-ZDUSSCGKSA-N 1 2 285.351 1.501 40 0 CDABLO Cc1nc(Nc2nncs2)cc([C@H]2CCC[NH2+]2)n1 ZINC000072382166 176387899 /nfs/dbraw/zinc/38/78/99/176387899.db2.gz CRAOBURNXKDNBM-MRVPVSSYSA-N 1 2 262.342 1.805 40 0 CDABLO CC(C)(C)OC(=O)[C@H]1C[NH2+]CCN1C(=O)OC(C)(C)C ZINC000059614040 278455836 /nfs/dbraw/zinc/45/58/36/278455836.db2.gz SOVFVZVAXJHGFT-SNVBAGLBSA-N 1 2 286.372 1.537 40 0 CDABLO Cc1nc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3C)cs1 ZINC000107251993 293268352 /nfs/dbraw/zinc/26/83/52/293268352.db2.gz MVFCLHUYVCCOFD-WDEREUQCSA-N 1 2 251.355 1.257 40 0 CDABLO Cc1nc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3C)cs1 ZINC000107251993 293268351 /nfs/dbraw/zinc/26/83/51/293268351.db2.gz MVFCLHUYVCCOFD-WDEREUQCSA-N 1 2 251.355 1.257 40 0 CDABLO [NH3+]C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000035622882 295264681 /nfs/dbraw/zinc/26/46/81/295264681.db2.gz XLMNZJVXHODAOE-CMPLNLGQSA-N 1 2 268.744 1.746 40 0 CDABLO [NH3+]C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000035622882 295264680 /nfs/dbraw/zinc/26/46/80/295264680.db2.gz XLMNZJVXHODAOE-CMPLNLGQSA-N 1 2 268.744 1.746 40 0 CDABLO Cc1noc(C)c1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152684090 329528432 /nfs/dbraw/zinc/52/84/32/329528432.db2.gz CLABTRXRVYZSCK-GFCCVEGCSA-N 1 2 286.335 1.695 40 0 CDABLO COC[C@@H]1Cn2cc[nH+]c2CN(C(=O)c2ccsc2)C1 ZINC000096059087 185078610 /nfs/dbraw/zinc/07/86/10/185078610.db2.gz UWZBIKMSNVIAQG-LLVKDONJSA-N 1 2 291.376 1.863 40 0 CDABLO CCOC[C@H]1C[N@H+](Cc2ccccn2)Cc2cnn(C)c21 ZINC000096060069 185082006 /nfs/dbraw/zinc/08/20/06/185082006.db2.gz OSJGXWKUNALBDZ-CQSZACIVSA-N 1 2 286.379 1.951 40 0 CDABLO CCOC[C@H]1C[N@@H+](Cc2ccccn2)Cc2cnn(C)c21 ZINC000096060069 185082008 /nfs/dbraw/zinc/08/20/08/185082008.db2.gz OSJGXWKUNALBDZ-CQSZACIVSA-N 1 2 286.379 1.951 40 0 CDABLO O[C@]1(COc2ccc(F)cc2)CC[N@H+](Cc2cc[nH]n2)C1 ZINC000585269145 342253696 /nfs/dbraw/zinc/25/36/96/342253696.db2.gz KLOCMWOCODJJET-OAHLLOKOSA-N 1 2 291.326 1.565 40 0 CDABLO O[C@]1(COc2ccc(F)cc2)CC[N@@H+](Cc2cc[nH]n2)C1 ZINC000585269145 342253697 /nfs/dbraw/zinc/25/36/97/342253697.db2.gz KLOCMWOCODJJET-OAHLLOKOSA-N 1 2 291.326 1.565 40 0 CDABLO C[NH+]1CCN(C(=O)[C@@]2(C)CC(c3ccccc3)=NO2)CC1 ZINC000064555349 282913680 /nfs/dbraw/zinc/91/36/80/282913680.db2.gz RAIWCVLCRJHNFM-MRXNPFEDSA-N 1 2 287.363 1.344 40 0 CDABLO COC(=O)C[C@H](c1ccc2c(c1)OCO2)[NH+]1CCOCC1 ZINC000031938713 356772750 /nfs/dbraw/zinc/77/27/50/356772750.db2.gz UGTRXCFGKOMVDA-GFCCVEGCSA-N 1 2 293.319 1.352 40 0 CDABLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2cnnn2C)CC1 ZINC000093413140 358604851 /nfs/dbraw/zinc/60/48/51/358604851.db2.gz IPRVJSBBMJHTAL-ZDUSSCGKSA-N 1 2 286.383 1.089 40 0 CDABLO COC[C@H]1Cn2ccnc2C[N@H+](Cc2ccccn2)C1 ZINC000096059076 358707333 /nfs/dbraw/zinc/70/73/33/358707333.db2.gz DDSNQZXLARIRNR-CYBMUJFWSA-N 1 2 272.352 1.557 40 0 CDABLO COC[C@H]1Cn2ccnc2C[N@@H+](Cc2ccccn2)C1 ZINC000096059076 358707335 /nfs/dbraw/zinc/70/73/35/358707335.db2.gz DDSNQZXLARIRNR-CYBMUJFWSA-N 1 2 272.352 1.557 40 0 CDABLO C[NH+](C)Cc1noc2c1CN(C(=O)c1ccco1)CC2 ZINC000096259724 358729885 /nfs/dbraw/zinc/72/98/85/358729885.db2.gz SPUVWVAXQDTKAY-UHFFFAOYSA-N 1 2 275.308 1.528 40 0 CDABLO C[NH+]1CCN(C(=O)[C@]23CC[C@](C)(C(=O)C2)C3(C)C)CC1 ZINC000019810936 374797527 /nfs/dbraw/zinc/79/75/27/374797527.db2.gz ZMBSZRAWHINMPB-CVEARBPZSA-N 1 2 278.396 1.546 40 0 CDABLO Cc1ccc(-n2cnc(C(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000227116256 375446046 /nfs/dbraw/zinc/44/60/46/375446046.db2.gz BPDLZEZSGPDAMF-UHFFFAOYSA-N 1 2 284.363 1.568 40 0 CDABLO Cn1nccc1C[NH2+]Cc1ccn(CC(F)(F)F)n1 ZINC000256051293 190003952 /nfs/dbraw/zinc/00/39/52/190003952.db2.gz IOMQTNHTNNDVLD-UHFFFAOYSA-N 1 2 273.262 1.469 40 0 CDABLO CNc1cc([C@H]2CCCN2C(=O)Cn2cc[nH+]c2)ccn1 ZINC000257207485 190011483 /nfs/dbraw/zinc/01/14/83/190011483.db2.gz BHZIADYBAICFKM-CYBMUJFWSA-N 1 2 285.351 1.684 40 0 CDABLO Cc1cnc(C[N@@H+]2CCC[C@@H]2c2ccncn2)cn1 ZINC000257214674 190013429 /nfs/dbraw/zinc/01/34/29/190013429.db2.gz CMZDWGUWPBUIAX-CQSZACIVSA-N 1 2 255.325 1.912 40 0 CDABLO Cc1cnc(C[N@H+]2CCC[C@@H]2c2ccncn2)cn1 ZINC000257214674 190013430 /nfs/dbraw/zinc/01/34/30/190013430.db2.gz CMZDWGUWPBUIAX-CQSZACIVSA-N 1 2 255.325 1.912 40 0 CDABLO Cc1[nH+]c[nH]c1CN1CCO[C@H](c2ccnc(C)n2)C1 ZINC000257279259 190025388 /nfs/dbraw/zinc/02/53/88/190025388.db2.gz OFULIZOCDOEFKT-AWEZNQCLSA-N 1 2 273.340 1.390 40 0 CDABLO Cc1c[nH]c([C@H]2CN(Cc3c[nH+]cn3C)CCO2)n1 ZINC000257289308 190027875 /nfs/dbraw/zinc/02/78/75/190027875.db2.gz PYBFSWKDWRSLAF-GFCCVEGCSA-N 1 2 261.329 1.025 40 0 CDABLO CCCn1ccc(C(=O)N2CC[C@H](c3[nH]cc(C)[nH+]3)C2)n1 ZINC000257320623 190033668 /nfs/dbraw/zinc/03/36/68/190033668.db2.gz VXOZPTASFAMAPR-LBPRGKRZSA-N 1 2 287.367 1.954 40 0 CDABLO Cc1cn(C)c([C@H]2CCN(C(=O)C[NH+]3CCCCC3)C2)n1 ZINC000257325873 190033988 /nfs/dbraw/zinc/03/39/88/190033988.db2.gz WUUQKXDGGPBEBF-AWEZNQCLSA-N 1 2 290.411 1.530 40 0 CDABLO Cc1cnc([C@H]2CN(Cc3c[nH+]c[nH]3)CCO2)cn1 ZINC000257336305 190036148 /nfs/dbraw/zinc/03/61/48/190036148.db2.gz YNVRAUNQNKFPLO-CYBMUJFWSA-N 1 2 259.313 1.082 40 0 CDABLO Cc1cnc([C@H]2CN(Cc3c[nH]c[nH+]3)CCO2)cn1 ZINC000257336305 190036149 /nfs/dbraw/zinc/03/61/49/190036149.db2.gz YNVRAUNQNKFPLO-CYBMUJFWSA-N 1 2 259.313 1.082 40 0 CDABLO Cc1c[nH]c([C@H]2CCCN2C(=O)CCn2nccc2C)[nH+]1 ZINC000257336243 190036467 /nfs/dbraw/zinc/03/64/67/190036467.db2.gz YNQUZPKYPYHMES-CYBMUJFWSA-N 1 2 287.367 1.977 40 0 CDABLO COc1ccccc1CNc1[nH+]cnc2c1NC(=O)CN2 ZINC000041121674 379335264 /nfs/dbraw/zinc/33/52/64/379335264.db2.gz FUPUCUWXWHNHMY-UHFFFAOYSA-N 1 2 285.307 1.461 40 0 CDABLO COc1ccccc1CNc1nc[nH+]c2c1NC(=O)CN2 ZINC000041121674 379335273 /nfs/dbraw/zinc/33/52/73/379335273.db2.gz FUPUCUWXWHNHMY-UHFFFAOYSA-N 1 2 285.307 1.461 40 0 CDABLO COc1cc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c(C)c1 ZINC000029229329 390260140 /nfs/dbraw/zinc/26/01/40/390260140.db2.gz PQISNDSGUFHICO-UHFFFAOYSA-N 1 2 298.408 1.248 40 0 CDABLO CCC(=O)c1ccc(N2CCN(C(C)=O)CC2)[nH+]c1C ZINC000072224774 390624779 /nfs/dbraw/zinc/62/47/79/390624779.db2.gz UOKNZZMHWOKNIZ-UHFFFAOYSA-N 1 2 275.352 1.651 40 0 CDABLO COc1ccc(OC)c([C@@H](C[NH3+])[N@@H+]2CC[C@H](C(=O)[O-])C2)c1 ZINC000035622889 286343620 /nfs/dbraw/zinc/34/36/20/286343620.db2.gz MISAPEIPIMQEJA-GXFFZTMASA-N 1 2 294.351 1.110 40 0 CDABLO COc1ccc(OC)c([C@@H](C[NH3+])[N@H+]2CC[C@H](C(=O)[O-])C2)c1 ZINC000035622889 286343622 /nfs/dbraw/zinc/34/36/22/286343622.db2.gz MISAPEIPIMQEJA-GXFFZTMASA-N 1 2 294.351 1.110 40 0 CDABLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cnccn1)c1ccccc1 ZINC000045842515 175384897 /nfs/dbraw/zinc/38/48/97/175384897.db2.gz CKOFKCHZHBEPPE-AWEZNQCLSA-N 1 2 293.330 1.730 40 0 CDABLO Cc1nc([C@H]2CCC[N@@H+](Cc3nccn3C)C2)no1 ZINC000072364306 176379754 /nfs/dbraw/zinc/37/97/54/176379754.db2.gz QKNBRFOWQDVCDH-NSHDSACASA-N 1 2 261.329 1.491 40 0 CDABLO Cc1nc([C@H]2CCC[N@H+](Cc3nccn3C)C2)no1 ZINC000072364306 176379755 /nfs/dbraw/zinc/37/97/55/176379755.db2.gz QKNBRFOWQDVCDH-NSHDSACASA-N 1 2 261.329 1.491 40 0 CDABLO Cc1c[nH]nc1[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000072366161 176381400 /nfs/dbraw/zinc/38/14/00/176381400.db2.gz VIWWGGULMPOMKP-LLVKDONJSA-N 1 2 259.313 1.278 40 0 CDABLO CNc1cc(C)[nH+]c([C@H]2CCN(c3cnccn3)C2)n1 ZINC000072381091 176387517 /nfs/dbraw/zinc/38/75/17/176387517.db2.gz MJEZGYMFGUUXKR-NSHDSACASA-N 1 2 270.340 1.611 40 0 CDABLO CC(=O)N1CC[N@@H+](C)C[C@@H]1c1cccc(C(=O)N(C)C)c1 ZINC000072366534 278039657 /nfs/dbraw/zinc/03/96/57/278039657.db2.gz MIVKCYVCEYACEW-OAHLLOKOSA-N 1 2 289.379 1.223 40 0 CDABLO CC(=O)N1CC[N@H+](C)C[C@@H]1c1cccc(C(=O)N(C)C)c1 ZINC000072366534 278039660 /nfs/dbraw/zinc/03/96/60/278039660.db2.gz MIVKCYVCEYACEW-OAHLLOKOSA-N 1 2 289.379 1.223 40 0 CDABLO C[NH+]1CCN(C(=O)c2cc3c(cc2Cl)OCCO3)CC1 ZINC000041126408 290030605 /nfs/dbraw/zinc/03/06/05/290030605.db2.gz WHOXYGNBWAASMF-UHFFFAOYSA-N 1 2 296.754 1.499 40 0 CDABLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCCN(c2ccccn2)C1 ZINC000257308283 362585861 /nfs/dbraw/zinc/58/58/61/362585861.db2.gz TWDSQFBERGOADT-CQSZACIVSA-N 1 2 299.378 1.453 40 0 CDABLO Cc1ccc(-n2ncc3c2nc[nH+]c3NC[C@H](C)O)cc1 ZINC000004355078 356315338 /nfs/dbraw/zinc/31/53/38/356315338.db2.gz BQOCGMCNQAXYME-NSHDSACASA-N 1 2 283.335 1.917 40 0 CDABLO CSc1c2c(cc3c1[C@H](O)C[N@H+](C)C3)OCO2 ZINC000095470384 358694252 /nfs/dbraw/zinc/69/42/52/358694252.db2.gz JOOCHUYALOAHKN-MRVPVSSYSA-N 1 2 253.323 1.616 40 0 CDABLO CSc1c2c(cc3c1[C@H](O)C[N@@H+](C)C3)OCO2 ZINC000095470384 358694256 /nfs/dbraw/zinc/69/42/56/358694256.db2.gz JOOCHUYALOAHKN-MRVPVSSYSA-N 1 2 253.323 1.616 40 0 CDABLO Cc1ccc(CN2CCn3c(Cn4cncn4)c[nH+]c3C2)o1 ZINC000096201134 358718089 /nfs/dbraw/zinc/71/80/89/358718089.db2.gz YEXOGCAAXPUDKV-UHFFFAOYSA-N 1 2 298.350 1.440 40 0 CDABLO Cc1cccc(C[N@@H+]2CCc3n[nH]c(C(=O)N(C)C)c3C2)n1 ZINC000096254382 358727730 /nfs/dbraw/zinc/72/77/30/358727730.db2.gz XFGKJIRCFRDHDK-UHFFFAOYSA-N 1 2 299.378 1.373 40 0 CDABLO Cc1cccc(C[N@H+]2CCc3n[nH]c(C(=O)N(C)C)c3C2)n1 ZINC000096254382 358727734 /nfs/dbraw/zinc/72/77/34/358727734.db2.gz XFGKJIRCFRDHDK-UHFFFAOYSA-N 1 2 299.378 1.373 40 0 CDABLO Cc1cn2c([nH+]1)CN([C@@H]1CCN(C3CCC3)C1=O)CC2 ZINC000639576174 364157650 /nfs/dbraw/zinc/15/76/50/364157650.db2.gz OKZPPBVSHORFHL-CYBMUJFWSA-N 1 2 274.368 1.161 40 0 CDABLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccccn1)C2 ZINC000225517864 374647978 /nfs/dbraw/zinc/64/79/78/374647978.db2.gz VRPRQIDFPIDAPO-SNVBAGLBSA-N 1 2 256.309 1.857 40 0 CDABLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccccn1)CC2 ZINC000225517864 374647981 /nfs/dbraw/zinc/64/79/81/374647981.db2.gz VRPRQIDFPIDAPO-SNVBAGLBSA-N 1 2 256.309 1.857 40 0 CDABLO Cn1cc(C[N@@H+]2CCn3c(-c4ccco4)cnc3C2)cn1 ZINC000306130041 374968190 /nfs/dbraw/zinc/96/81/90/374968190.db2.gz IUSJWTDQZKHTQI-UHFFFAOYSA-N 1 2 283.335 1.892 40 0 CDABLO Cn1cc(C[N@H+]2CCn3c(-c4ccco4)cnc3C2)cn1 ZINC000306130041 374968205 /nfs/dbraw/zinc/96/82/05/374968205.db2.gz IUSJWTDQZKHTQI-UHFFFAOYSA-N 1 2 283.335 1.892 40 0 CDABLO Cc1cc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)CCO2)ccn1 ZINC000257234209 190017210 /nfs/dbraw/zinc/01/72/10/190017210.db2.gz GSOSRUQYSBZKLT-AWEZNQCLSA-N 1 2 286.335 1.187 40 0 CDABLO COc1nnc(OC)c(N2CCC[C@H]2c2[nH]cc(C)[nH+]2)n1 ZINC000257264550 190023168 /nfs/dbraw/zinc/02/31/68/190023168.db2.gz LUYUMMHFHTZFDI-VIFPVBQESA-N 1 2 290.327 1.262 40 0 CDABLO Cc1nccc([C@H]2CN(Cc3c[nH+]c[nH]3)CCO2)n1 ZINC000257266264 190023505 /nfs/dbraw/zinc/02/35/05/190023505.db2.gz MCFLOMZFKAULJO-CYBMUJFWSA-N 1 2 259.313 1.082 40 0 CDABLO Cc1nccc([C@H]2CN(Cc3c[nH]c[nH+]3)CCO2)n1 ZINC000257266264 190023506 /nfs/dbraw/zinc/02/35/06/190023506.db2.gz MCFLOMZFKAULJO-CYBMUJFWSA-N 1 2 259.313 1.082 40 0 CDABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3cnn(C)c3)C2)[nH+]1 ZINC000257257000 190021975 /nfs/dbraw/zinc/02/19/75/190021975.db2.gz KNQYJXROYRYOHL-NSHDSACASA-N 1 2 273.340 1.471 40 0 CDABLO Cn1nccc1-c1cncc(C[C@H]2CCC[NH2+]C2)n1 ZINC000257323719 190034202 /nfs/dbraw/zinc/03/42/02/190034202.db2.gz WLOXWWUUOVPZOS-LLVKDONJSA-N 1 2 257.341 1.419 40 0 CDABLO Cc1cnn(CC(=O)N2CCC[C@@H]3[N@H+](C)CCC[C@@]32C)c1 ZINC000257324452 190034397 /nfs/dbraw/zinc/03/43/97/190034397.db2.gz WOSYZZKBZKRPDR-HOCLYGCPSA-N 1 2 290.411 1.667 40 0 CDABLO Cc1cnn(CC(=O)N2CCC[C@@H]3[N@@H+](C)CCC[C@@]32C)c1 ZINC000257324452 190034398 /nfs/dbraw/zinc/03/43/98/190034398.db2.gz WOSYZZKBZKRPDR-HOCLYGCPSA-N 1 2 290.411 1.667 40 0 CDABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)[nH+]1 ZINC000257336535 190035996 /nfs/dbraw/zinc/03/59/96/190035996.db2.gz YOWGBEUKVPGYPT-GFCCVEGCSA-N 1 2 287.367 1.482 40 0 CDABLO CC(C)(C)OC(=O)[C@@H]([NH3+])[C@H]1c2cc(F)ccc2NC1=O ZINC000103615930 378336235 /nfs/dbraw/zinc/33/62/35/378336235.db2.gz TXWOFGOVXMDJJU-MNOVXSKESA-N 1 2 280.299 1.530 40 0 CDABLO COC(=O)[C@@H](C)N1CC[NH+](CCC(F)(F)F)CC1 ZINC000575441475 391384014 /nfs/dbraw/zinc/38/40/14/391384014.db2.gz PLHHLTMFUOEERT-SECBINFHSA-N 1 2 268.279 1.118 40 0 CDABLO Cn1ccc(C[NH2+]Cc2cc(C(F)(F)F)nn2C)n1 ZINC000020349811 171155626 /nfs/dbraw/zinc/15/56/26/171155626.db2.gz JLTVNWIDKHONNP-UHFFFAOYSA-N 1 2 273.262 1.462 40 0 CDABLO O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CCCC1 ZINC000044904752 175275116 /nfs/dbraw/zinc/27/51/16/175275116.db2.gz ACQTUUAWBVTVOV-UHFFFAOYSA-N 1 2 274.364 1.755 40 0 CDABLO CCc1[nH+]ccn1-c1cncc([C@H]2CCCN(C(C)=O)C2)n1 ZINC000072355398 176374934 /nfs/dbraw/zinc/37/49/34/176374934.db2.gz FLUPCQOFNBKECG-ZDUSSCGKSA-N 1 2 299.378 1.951 40 0 CDABLO CNc1cc(C)[nH+]c([C@H]2CCN(c3cc(C)ncn3)C2)n1 ZINC000072364089 176378955 /nfs/dbraw/zinc/37/89/55/176378955.db2.gz ICACVKNZJXEWDZ-LBPRGKRZSA-N 1 2 284.367 1.919 40 0 CDABLO CNc1cccc(C2CCN(C(=O)c3cnccn3)CC2)[nH+]1 ZINC000072363967 176379151 /nfs/dbraw/zinc/37/91/51/176379151.db2.gz JNLKLQWQVQXLAC-UHFFFAOYSA-N 1 2 297.362 1.933 40 0 CDABLO COC[C@@H]1Cn2cc[nH+]c2CN(C(=O)c2cccn2C)C1 ZINC000096059090 185079467 /nfs/dbraw/zinc/07/94/67/185079467.db2.gz LLYODMBVVNRCRJ-GFCCVEGCSA-N 1 2 288.351 1.140 40 0 CDABLO CCOC[C@@H]1C[N@H+](Cc2ccccn2)Cc2cn(C)nc21 ZINC000096059844 185081261 /nfs/dbraw/zinc/08/12/61/185081261.db2.gz VRYNIPMTZWLJPQ-AWEZNQCLSA-N 1 2 286.379 1.951 40 0 CDABLO CCOC[C@@H]1C[N@@H+](Cc2ccccn2)Cc2cn(C)nc21 ZINC000096059844 185081263 /nfs/dbraw/zinc/08/12/63/185081263.db2.gz VRYNIPMTZWLJPQ-AWEZNQCLSA-N 1 2 286.379 1.951 40 0 CDABLO COCCc1c[nH+]c2n1CCN(C(=O)c1ccoc1)[C@@H]2C ZINC000585097732 342211471 /nfs/dbraw/zinc/21/14/71/342211471.db2.gz NNILDOWRUKQSHN-LLVKDONJSA-N 1 2 289.335 1.882 40 0 CDABLO COCCc1c[nH+]c2n1CCN(Cc1cc(C)n[nH]1)[C@@H]2C ZINC000585097285 342211499 /nfs/dbraw/zinc/21/14/99/342211499.db2.gz HUYKKVDYXZOOCH-GFCCVEGCSA-N 1 2 289.383 1.680 40 0 CDABLO C[N@H+]1Cc2ccnn2[C@@H](CCNC(=O)c2cccnc2)C1 ZINC000585112703 342213555 /nfs/dbraw/zinc/21/35/55/342213555.db2.gz VNSREHULLVECHA-ZDUSSCGKSA-N 1 2 285.351 1.085 40 0 CDABLO C[N@@H+]1Cc2ccnn2[C@@H](CCNC(=O)c2cccnc2)C1 ZINC000585112703 342213556 /nfs/dbraw/zinc/21/35/56/342213556.db2.gz VNSREHULLVECHA-ZDUSSCGKSA-N 1 2 285.351 1.085 40 0 CDABLO CCOc1ccc([C@@H](CO)[NH+]2CCOCC2)cc1 ZINC000070453319 361972532 /nfs/dbraw/zinc/97/25/32/361972532.db2.gz WACIGSWRRKMKRC-CQSZACIVSA-N 1 2 251.326 1.451 40 0 CDABLO O[C@H]1C[N@H+](Cc2ncc[nH]2)CC[C@@H]1Cc1cccc(F)c1 ZINC000585277746 342256332 /nfs/dbraw/zinc/25/63/32/342256332.db2.gz KXXNQXGJQBJRFI-HIFRSBDPSA-N 1 2 289.354 1.974 40 0 CDABLO O[C@H]1C[N@@H+](Cc2ncc[nH]2)CC[C@@H]1Cc1cccc(F)c1 ZINC000585277746 342256333 /nfs/dbraw/zinc/25/63/33/342256333.db2.gz KXXNQXGJQBJRFI-HIFRSBDPSA-N 1 2 289.354 1.974 40 0 CDABLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccoc1 ZINC000152880240 188050361 /nfs/dbraw/zinc/05/03/61/188050361.db2.gz RXESGNVQVWWKNP-LBPRGKRZSA-N 1 2 257.293 1.683 40 0 CDABLO O=C(CC[NH+]1CCOCC1)c1ccc2c(c1)OCO2 ZINC000019204619 357523903 /nfs/dbraw/zinc/52/39/03/357523903.db2.gz REMDMIQSDWDVGM-UHFFFAOYSA-N 1 2 263.293 1.320 40 0 CDABLO CC[N@H+]1Cc2c(cc3c(c2OC)OCO3)[C@@H](O)C1 ZINC000095470446 358694005 /nfs/dbraw/zinc/69/40/05/358694005.db2.gz CJIOKXRWNAKGOD-JTQLQIEISA-N 1 2 251.282 1.293 40 0 CDABLO CC[N@@H+]1Cc2c(cc3c(c2OC)OCO3)[C@@H](O)C1 ZINC000095470446 358694007 /nfs/dbraw/zinc/69/40/07/358694007.db2.gz CJIOKXRWNAKGOD-JTQLQIEISA-N 1 2 251.282 1.293 40 0 CDABLO Cn1c[nH+]c2c1[C@@H](COCC1CC1)CN(c1ncccn1)C2 ZINC000096044905 358706148 /nfs/dbraw/zinc/70/61/48/358706148.db2.gz WWBGUZLKDUOACB-CYBMUJFWSA-N 1 2 299.378 1.741 40 0 CDABLO C[C@]1(O)CC[C@@H](C(=O)N2CCCO2)[N@H+](Cc2ccoc2)C1 ZINC000096045700 358706596 /nfs/dbraw/zinc/70/65/96/358706596.db2.gz OMYRSLOCGDYHGG-ZFWWWQNUSA-N 1 2 294.351 1.159 40 0 CDABLO C[C@]1(O)CC[C@@H](C(=O)N2CCCO2)[N@@H+](Cc2ccoc2)C1 ZINC000096045700 358706601 /nfs/dbraw/zinc/70/66/01/358706601.db2.gz OMYRSLOCGDYHGG-ZFWWWQNUSA-N 1 2 294.351 1.159 40 0 CDABLO CCOC(=O)c1cc(N)ccc1NCC[NH+]1CCOCC1 ZINC000041081878 358839100 /nfs/dbraw/zinc/83/91/00/358839100.db2.gz JUGODVOGRQZHNO-UHFFFAOYSA-N 1 2 293.367 1.190 40 0 CDABLO CCCC(=O)N1CCC[C@@H]1C(=O)N1CCn2c[nH+]cc2C1 ZINC000290878403 370082124 /nfs/dbraw/zinc/08/21/24/370082124.db2.gz DJOIKHPPJPBNCH-CYBMUJFWSA-N 1 2 290.367 1.016 40 0 CDABLO c1cc2n(n1)[C@H](COc1ncccn1)C[N@H+](CC1CC1)C2 ZINC000306140463 374971696 /nfs/dbraw/zinc/97/16/96/374971696.db2.gz UUKLBFMKFMVQHU-AWEZNQCLSA-N 1 2 285.351 1.519 40 0 CDABLO c1cc2n(n1)[C@H](COc1ncccn1)C[N@@H+](CC1CC1)C2 ZINC000306140463 374971700 /nfs/dbraw/zinc/97/17/00/374971700.db2.gz UUKLBFMKFMVQHU-AWEZNQCLSA-N 1 2 285.351 1.519 40 0 CDABLO O=C(C[N@@H+]1CCO[C@H]2CCC[C@H]21)NCc1ccc(F)cc1 ZINC000230082283 375498164 /nfs/dbraw/zinc/49/81/64/375498164.db2.gz KLOKVXDQAWXXLG-CABCVRRESA-N 1 2 292.354 1.695 40 0 CDABLO O=C(C[N@H+]1CCO[C@H]2CCC[C@H]21)NCc1ccc(F)cc1 ZINC000230082283 375498173 /nfs/dbraw/zinc/49/81/73/375498173.db2.gz KLOKVXDQAWXXLG-CABCVRRESA-N 1 2 292.354 1.695 40 0 CDABLO Cn1ccc(C[NH2+]Cc2ccn(CC(F)F)n2)n1 ZINC000256053904 190004889 /nfs/dbraw/zinc/00/48/89/190004889.db2.gz UCUJWHYFKWKROC-UHFFFAOYSA-N 1 2 255.272 1.172 40 0 CDABLO Nc1nccnc1[C@@H]1C[N@H+](Cc2ccsc2)CCO1 ZINC000257231039 190016321 /nfs/dbraw/zinc/01/63/21/190016321.db2.gz GEYWUGNJQZEFQU-NSHDSACASA-N 1 2 276.365 1.694 40 0 CDABLO Nc1nccnc1[C@@H]1C[N@@H+](Cc2ccsc2)CCO1 ZINC000257231039 190016322 /nfs/dbraw/zinc/01/63/22/190016322.db2.gz GEYWUGNJQZEFQU-NSHDSACASA-N 1 2 276.365 1.694 40 0 CDABLO CC(C)[NH+]1CC(c2ccnc(Nc3ncccn3)n2)C1 ZINC000257245423 190019341 /nfs/dbraw/zinc/01/93/41/190019341.db2.gz IPKNHSNEILKRDD-UHFFFAOYSA-N 1 2 270.340 1.818 40 0 CDABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)C2CCOCC2)[nH+]1 ZINC000257294954 190028768 /nfs/dbraw/zinc/02/87/68/190028768.db2.gz QWKIXOKWXAZRSO-LBPRGKRZSA-N 1 2 263.341 1.808 40 0 CDABLO CC(=O)N1CCC[C@H]2[N@H+](Cc3nccn3C)CCC[C@@]21C ZINC000257325050 190034048 /nfs/dbraw/zinc/03/40/48/190034048.db2.gz WRFSNYUPENOOGW-ZBFHGGJFSA-N 1 2 290.411 1.786 40 0 CDABLO CC(=O)N1CCC[C@H]2[N@@H+](Cc3nccn3C)CCC[C@@]21C ZINC000257325050 190034049 /nfs/dbraw/zinc/03/40/49/190034049.db2.gz WRFSNYUPENOOGW-ZBFHGGJFSA-N 1 2 290.411 1.786 40 0 CDABLO C[C@]1(O)C[N@H+](Cc2cnccn2)CC[C@@H]1Oc1ccccc1 ZINC000257323326 190034144 /nfs/dbraw/zinc/03/41/44/190034144.db2.gz WJRWNWXQGFMKRG-IRXDYDNUSA-N 1 2 299.374 1.881 40 0 CDABLO C[C@]1(O)C[N@@H+](Cc2cnccn2)CC[C@@H]1Oc1ccccc1 ZINC000257323326 190034145 /nfs/dbraw/zinc/03/41/45/190034145.db2.gz WJRWNWXQGFMKRG-IRXDYDNUSA-N 1 2 299.374 1.881 40 0 CDABLO O=C1CNc2nc[nH+]c(NCCc3cccs3)c2N1 ZINC000041121401 379335124 /nfs/dbraw/zinc/33/51/24/379335124.db2.gz KPLIXWCKKISLAW-UHFFFAOYSA-N 1 2 275.337 1.557 40 0 CDABLO O=C1CNc2[nH+]cnc(NCCc3cccs3)c2N1 ZINC000041121401 379335129 /nfs/dbraw/zinc/33/51/29/379335129.db2.gz KPLIXWCKKISLAW-UHFFFAOYSA-N 1 2 275.337 1.557 40 0 CDABLO O=C1NCCCC[C@@H]1[N@H+]1CCOc2cccc(F)c2C1 ZINC000374550200 160295615 /nfs/dbraw/zinc/29/56/15/160295615.db2.gz HSMKJXOLIJMJBZ-ZDUSSCGKSA-N 1 2 278.327 1.689 40 0 CDABLO O=C1NCCCC[C@@H]1[N@@H+]1CCOc2cccc(F)c2C1 ZINC000374550200 160295617 /nfs/dbraw/zinc/29/56/17/160295617.db2.gz HSMKJXOLIJMJBZ-ZDUSSCGKSA-N 1 2 278.327 1.689 40 0 CDABLO CC(=O)NC1CC[NH+](CC(=O)Nc2ccc(C)cc2)CC1 ZINC000004909507 170039662 /nfs/dbraw/zinc/03/96/62/170039662.db2.gz AWUITGGIMYBBAA-UHFFFAOYSA-N 1 2 289.379 1.534 40 0 CDABLO CCc1ccc(OC)c(C(=O)N2CC[NH+](C)CC2)c1 ZINC000072206491 176342575 /nfs/dbraw/zinc/34/25/75/176342575.db2.gz GCPGYQMTBXEQNI-UHFFFAOYSA-N 1 2 262.353 1.645 40 0 CDABLO CCC(=O)N1CCC[C@@H]1c1nccnc1-n1cc[nH+]c1 ZINC000072367543 176381657 /nfs/dbraw/zinc/38/16/57/176381657.db2.gz KUKQWNZDSUXLEZ-LLVKDONJSA-N 1 2 271.324 1.736 40 0 CDABLO CN(C)C(=O)[C@@]1(C)C[N@H+](Cc2ccc(F)c(F)c2)CCO1 ZINC000072379687 176386609 /nfs/dbraw/zinc/38/66/09/176386609.db2.gz XNMJMNQSASQULU-OAHLLOKOSA-N 1 2 298.333 1.644 40 0 CDABLO CN(C)C(=O)[C@@]1(C)C[N@@H+](Cc2ccc(F)c(F)c2)CCO1 ZINC000072379687 176386610 /nfs/dbraw/zinc/38/66/10/176386610.db2.gz XNMJMNQSASQULU-OAHLLOKOSA-N 1 2 298.333 1.644 40 0 CDABLO Cc1cccc(C[N@@H+]2CCC[C@@H]2c2n[nH]cc2C(N)=O)n1 ZINC000072388613 176393328 /nfs/dbraw/zinc/39/33/28/176393328.db2.gz MAXWROLTXIWCOC-CYBMUJFWSA-N 1 2 285.351 1.549 40 0 CDABLO Cc1cccc(C[N@H+]2CCC[C@@H]2c2n[nH]cc2C(N)=O)n1 ZINC000072388613 176393329 /nfs/dbraw/zinc/39/33/29/176393329.db2.gz MAXWROLTXIWCOC-CYBMUJFWSA-N 1 2 285.351 1.549 40 0 CDABLO O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000077875423 177305693 /nfs/dbraw/zinc/30/56/93/177305693.db2.gz JELLNDLCWPCIML-LLVKDONJSA-N 1 2 299.330 1.560 40 0 CDABLO O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000077875423 177305694 /nfs/dbraw/zinc/30/56/94/177305694.db2.gz JELLNDLCWPCIML-LLVKDONJSA-N 1 2 299.330 1.560 40 0 CDABLO C[C@@H](C[C@H]1Nc2ccccc2C[NH2+]1)n1[nH]c(=O)ccc1=O ZINC000409202482 261148246 /nfs/dbraw/zinc/14/82/46/261148246.db2.gz SUEAHWBBGNSXPD-GXFFZTMASA-N 1 2 286.335 1.441 40 0 CDABLO O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1CNc1cccc[nH+]1 ZINC000019866550 280329468 /nfs/dbraw/zinc/32/94/68/280329468.db2.gz HZVSMZWSNYLOEL-LFSVMHDDSA-N 1 2 269.304 1.258 40 0 CDABLO CCOC[C@@H]1C[N@H+](Cc2ccccn2)Cc2cnn(C)c21 ZINC000096060068 185081935 /nfs/dbraw/zinc/08/19/35/185081935.db2.gz OSJGXWKUNALBDZ-AWEZNQCLSA-N 1 2 286.379 1.951 40 0 CDABLO CCOC[C@@H]1C[N@@H+](Cc2ccccn2)Cc2cnn(C)c21 ZINC000096060068 185081937 /nfs/dbraw/zinc/08/19/37/185081937.db2.gz OSJGXWKUNALBDZ-AWEZNQCLSA-N 1 2 286.379 1.951 40 0 CDABLO COCCc1c[nH+]c2n1CCN(C(=O)c1cocn1)[C@H]2C ZINC000585098653 342212079 /nfs/dbraw/zinc/21/20/79/342212079.db2.gz WDULVSGFJZLGFB-JTQLQIEISA-N 1 2 290.323 1.277 40 0 CDABLO CO[C@@H]1CCOC2(C[NH+](Cc3ccc(C)o3)C2)C1 ZINC000585104657 342212878 /nfs/dbraw/zinc/21/28/78/342212878.db2.gz KJJAXHMEGIKVHH-GFCCVEGCSA-N 1 2 251.326 1.968 40 0 CDABLO O=C1CC[NH2+][C@@H](c2ccc(Br)cc2)N1 ZINC000207893058 343655922 /nfs/dbraw/zinc/65/59/22/343655922.db2.gz VUODMIPLTBNHST-SNVBAGLBSA-N 1 2 255.115 1.557 40 0 CDABLO Nc1nc(N)[nH+]c(CCC(Cl)(Cl)Cl)n1 ZINC000001871638 355953325 /nfs/dbraw/zinc/95/33/25/355953325.db2.gz MQAROFHJWKALSX-UHFFFAOYSA-N 1 2 256.524 1.339 40 0 CDABLO Cc1cc(N2CCC[C@@H](c3ccc(C(N)=O)cn3)C2)nc[nH+]1 ZINC000072364095 357830724 /nfs/dbraw/zinc/83/07/24/357830724.db2.gz GJLGPPNIPOZFFY-CYBMUJFWSA-N 1 2 297.362 1.663 40 0 CDABLO COc1ncnc2c1CC[N@H+](Cc1nccs1)CC2 ZINC000096255558 358728544 /nfs/dbraw/zinc/72/85/44/358728544.db2.gz DHOXPEYFEVKXOF-UHFFFAOYSA-N 1 2 276.365 1.543 40 0 CDABLO COc1ncnc2c1CC[N@@H+](Cc1nccs1)CC2 ZINC000096255558 358728546 /nfs/dbraw/zinc/72/85/46/358728546.db2.gz DHOXPEYFEVKXOF-UHFFFAOYSA-N 1 2 276.365 1.543 40 0 CDABLO Nc1cc(C(F)(F)F)c([C@@H]2CCNC(=O)C2)c[nH+]1 ZINC000199782060 189683800 /nfs/dbraw/zinc/68/38/00/189683800.db2.gz HAFOTHYNOONOFK-ZCFIWIBFSA-N 1 2 259.231 1.676 40 0 CDABLO O=C(C[NH+]1CCC(O)CC1)Nc1nc2ccccc2s1 ZINC000049854925 370337520 /nfs/dbraw/zinc/33/75/20/370337520.db2.gz MZPOSMYYSYCDDP-UHFFFAOYSA-N 1 2 291.376 1.692 40 0 CDABLO O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccn1 ZINC000054956624 373758830 /nfs/dbraw/zinc/75/88/30/373758830.db2.gz XXZPGFDBSMKLET-UHFFFAOYSA-N 1 2 296.374 1.842 40 0 CDABLO Cc1c[nH]nc1C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000257215517 190013019 /nfs/dbraw/zinc/01/30/19/190013019.db2.gz CQNDRHDNGZUYPT-ZDUSSCGKSA-N 1 2 287.367 1.396 40 0 CDABLO Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000257215517 190013020 /nfs/dbraw/zinc/01/30/20/190013020.db2.gz CQNDRHDNGZUYPT-ZDUSSCGKSA-N 1 2 287.367 1.396 40 0 CDABLO O=C(C[N@@H+]1CCC[C@@H](Cc2ccn[nH]2)C1)N1CCCC1 ZINC000257282562 190026176 /nfs/dbraw/zinc/02/61/76/190026176.db2.gz OUGQBGFHPUMKDS-ZDUSSCGKSA-N 1 2 276.384 1.287 40 0 CDABLO O=C(C[N@H+]1CCC[C@@H](Cc2ccn[nH]2)C1)N1CCCC1 ZINC000257282562 190026177 /nfs/dbraw/zinc/02/61/77/190026177.db2.gz OUGQBGFHPUMKDS-ZDUSSCGKSA-N 1 2 276.384 1.287 40 0 CDABLO Cc1nc(C(=O)N(C)[C@@H]2CC[C@@H](n3cc[nH+]c3)[C@@H]2O)co1 ZINC000257288625 190027096 /nfs/dbraw/zinc/02/70/96/190027096.db2.gz PUZTYJLMPISJCV-JHJVBQTASA-N 1 2 290.323 1.016 40 0 CDABLO CCN(CC)S(=O)(=O)N1CC[C@@H](c2[nH]c(C)c[nH+]2)C1 ZINC000257272598 190024455 /nfs/dbraw/zinc/02/44/55/190024455.db2.gz NDAIMGOEJIWWGC-LLVKDONJSA-N 1 2 286.401 1.094 40 0 CDABLO C[C@@]12CCN(C(=O)CCn3cc[nH+]c3)[C@@H]1CC[C@@H](O)C2 ZINC000257272635 190024914 /nfs/dbraw/zinc/02/49/14/190024914.db2.gz NDFOCJQTRWVKBO-NFAWXSAZSA-N 1 2 277.368 1.425 40 0 CDABLO O=C(CCn1cc[nH+]c1)N1CCCC[C@H]1c1cc[nH]n1 ZINC000257305000 190030608 /nfs/dbraw/zinc/03/06/08/190030608.db2.gz SNZVPAXJHMRZEY-ZDUSSCGKSA-N 1 2 273.340 1.750 40 0 CDABLO Cc1cc(Nc2ncccn2)nc([C@@H]2CC[NH2+]C2)n1 ZINC000257323197 190034151 /nfs/dbraw/zinc/03/41/51/190034151.db2.gz WJDCSXHJNKWBFI-SNVBAGLBSA-N 1 2 256.313 1.396 40 0 CDABLO Cc1cc(Nc2ncccn2)nc([C@H]2CC[NH2+]C2)n1 ZINC000257323196 190034484 /nfs/dbraw/zinc/03/44/84/190034484.db2.gz WJDCSXHJNKWBFI-JTQLQIEISA-N 1 2 256.313 1.396 40 0 CDABLO Cc1ccnc([C@@H]2CCN(c3cc(C)[nH+]cn3)C2)n1 ZINC000257330549 190035562 /nfs/dbraw/zinc/03/55/62/190035562.db2.gz XOWMOKKZYZCMPZ-GFCCVEGCSA-N 1 2 255.325 1.877 40 0 CDABLO CCc1cc(C(=O)N2CC[C@H](c3[nH+]c(C)cn3C)C2)no1 ZINC000257334833 190036710 /nfs/dbraw/zinc/03/67/10/190036710.db2.gz YHNHSVOUKJNJJL-NSHDSACASA-N 1 2 288.351 1.909 40 0 CDABLO Cc1cc(N2CC[NH+](C(C)C)CC2)[nH+]cc1C(=O)[O-] ZINC000072223700 390624165 /nfs/dbraw/zinc/62/41/65/390624165.db2.gz SEAZQEFNHFRPLG-UHFFFAOYSA-N 1 2 263.341 1.619 40 0 CDABLO COc1ccc([C@H](C[NH3+])[N@@H+]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000035622862 172303884 /nfs/dbraw/zinc/30/38/84/172303884.db2.gz RWYGQCFWBARQPA-AAEUAGOBSA-N 1 2 264.325 1.102 40 0 CDABLO COc1ccc([C@H](C[NH3+])[N@H+]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000035622862 172303886 /nfs/dbraw/zinc/30/38/86/172303886.db2.gz RWYGQCFWBARQPA-AAEUAGOBSA-N 1 2 264.325 1.102 40 0 CDABLO O=C(CCn1cc[nH+]c1)NC[C@@H]1Cc2ccccc2O1 ZINC000072390454 176393973 /nfs/dbraw/zinc/39/39/73/176393973.db2.gz UXMDQEVMKMMPJY-ZDUSSCGKSA-N 1 2 271.320 1.393 40 0 CDABLO c1cncc(C[N@@H+]2CCOC[C@H](Oc3cnccn3)C2)c1 ZINC000077265921 177246743 /nfs/dbraw/zinc/24/67/43/177246743.db2.gz IPPGKNUKLUXSIO-CQSZACIVSA-N 1 2 286.335 1.151 40 0 biogenic,in-vitro CDABLO c1cncc(C[N@H+]2CCOC[C@H](Oc3cnccn3)C2)c1 ZINC000077265921 177246744 /nfs/dbraw/zinc/24/67/44/177246744.db2.gz IPPGKNUKLUXSIO-CQSZACIVSA-N 1 2 286.335 1.151 40 0 biogenic,in-vitro CDABLO COC(=O)c1cn(C)nc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000575441323 1159608513 /nfs/dbraw/zinc/60/85/13/1159608513.db2.gz CNNPRYKPSVBXQI-SNVBAGLBSA-N 1 2 251.330 1.439 40 0 CDABLO COC(=O)c1cn(C)nc1C[N@H+]1CCC[C@@H](C)C1 ZINC000575441323 1159608519 /nfs/dbraw/zinc/60/85/19/1159608519.db2.gz CNNPRYKPSVBXQI-SNVBAGLBSA-N 1 2 251.330 1.439 40 0 CDABLO C[C@@H]1CN(c2nc[nH+]c3c2C[C@H](C)CN3)C[C@H](C)O1 ZINC000046087823 1166301129 /nfs/dbraw/zinc/30/11/29/1166301129.db2.gz KRYMXFIMZDDADH-GARJFASQSA-N 1 2 262.357 1.694 40 0 CDABLO C[C@@H]1CN(c2[nH+]cnc3c2C[C@H](C)CN3)C[C@H](C)O1 ZINC000046087823 1166301134 /nfs/dbraw/zinc/30/11/34/1166301134.db2.gz KRYMXFIMZDDADH-GARJFASQSA-N 1 2 262.357 1.694 40 0 CDABLO