smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)c1c(C)noc1C ZINC000436022115 861313361 /nfs/dbraw/zinc/31/33/61/861313361.db2.gz ALWCBNMKOHIULF-HXUWFJFHSA-N 1 1 408.546 4.280 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCc3cccc(F)c3C2)C1 ZINC000436029814 861322583 /nfs/dbraw/zinc/32/25/83/861322583.db2.gz GSFFVMGYGGTDLY-UHFFFAOYSA-N 1 1 405.517 4.132 20 10 HICDMO COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000016386683 846163404 /nfs/dbraw/zinc/16/34/04/846163404.db2.gz FDZRVKYDAKKSNA-SFHVURJKSA-N 1 1 411.546 4.153 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3ccc(O)cc3F)no2)C1 ZINC000436881970 862059013 /nfs/dbraw/zinc/05/90/13/862059013.db2.gz ZJVXDVQQMILTOA-UHFFFAOYSA-N 1 1 406.461 4.351 20 10 HICDMO COc1ccc(N2CCC[N@@H+](CC(=O)N(C)[C@@H](C)c3ccc(Cl)cc3)CC2)cc1 ZINC000097494675 852619318 /nfs/dbraw/zinc/61/93/18/852619318.db2.gz SBGAGAOBFWTRJN-SFHVURJKSA-N 1 1 415.965 4.080 20 10 HICDMO COc1ccc(N2CCN(CCC[NH2+]Cc3csc(-c4ccccc4)n3)CC2)cc1 ZINC000237275087 853995150 /nfs/dbraw/zinc/99/51/50/853995150.db2.gz QMHAGISUPRZIHM-UHFFFAOYSA-N 1 1 422.598 4.121 20 10 HICDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)ccc21 ZINC000303201011 854814612 /nfs/dbraw/zinc/81/46/12/854814612.db2.gz OFXUZSRBNGFQTB-DEOSSOPVSA-N 1 1 405.542 4.033 20 10 HICDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)ccc21 ZINC000303201011 854814616 /nfs/dbraw/zinc/81/46/16/854814616.db2.gz OFXUZSRBNGFQTB-DEOSSOPVSA-N 1 1 405.542 4.033 20 10 HICDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc(C)n(-c3ccccc3C)c2C)[C@@H](C)C1 ZINC000303710738 855145532 /nfs/dbraw/zinc/14/55/32/855145532.db2.gz PTJVXEDASCDLDC-WMZHIEFXSA-N 1 1 411.590 4.269 20 10 HICDMO CC(=O)N(C)c1cccc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)c1 ZINC000435815376 861080900 /nfs/dbraw/zinc/08/09/00/861080900.db2.gz DXZMHKNJJQCCGC-UHFFFAOYSA-N 1 1 418.541 4.029 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCc3ccc(F)cc3C2)C1 ZINC000435919233 861178971 /nfs/dbraw/zinc/17/89/71/861178971.db2.gz ZLWWLQLMXZVQKV-UHFFFAOYSA-N 1 1 405.517 4.132 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H]2c2ccncc2)C1 ZINC000443913887 868449138 /nfs/dbraw/zinc/44/91/38/868449138.db2.gz QOYPNFGOBSQPIT-JOCHJYFZSA-N 1 1 402.542 4.167 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2nccc(-c3ccco3)n2)C1 ZINC000464455097 877674539 /nfs/dbraw/zinc/67/45/39/877674539.db2.gz BBFHFIPSWPTIHP-UHFFFAOYSA-N 1 1 415.497 4.097 20 10 HICDMO Cc1cc(C2CC2)nc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)n1 ZINC000464595639 877822676 /nfs/dbraw/zinc/82/26/76/877822676.db2.gz IZGZQBNIWNSVKX-UHFFFAOYSA-N 1 1 403.530 4.022 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC=C(c3ccco3)C2)C1 ZINC000557074398 943013716 /nfs/dbraw/zinc/01/37/16/943013716.db2.gz MFKKJTLLLFBNEW-UHFFFAOYSA-N 1 1 403.526 4.317 20 10 HICDMO Cc1noc(C)c1C(C)(C)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000557775357 943287601 /nfs/dbraw/zinc/28/76/01/943287601.db2.gz NLDDXEZWRPKJRE-UHFFFAOYSA-N 1 1 408.546 4.064 20 10 HICDMO CC(C)n1cc([C@H](C)NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)cn1 ZINC000570029407 947078132 /nfs/dbraw/zinc/07/81/32/947078132.db2.gz DCMYGYDIAHUCKK-SFHVURJKSA-N 1 1 407.562 4.063 20 10 HICDMO Cc1cccc2c1OCC[C@H]2NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435997958 861283606 /nfs/dbraw/zinc/28/36/06/861283606.db2.gz UVJHCCCFTHFPPL-JOCHJYFZSA-N 1 1 417.553 4.356 20 10 HICDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cn1c2ccccc2n(C(F)F)c1=S ZINC000014215455 845932115 /nfs/dbraw/zinc/93/21/15/845932115.db2.gz LVAARYOLNNIHKN-UHFFFAOYSA-N 1 1 418.513 4.493 20 10 HICDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cn1c2ccccc2n(C(F)F)c1=S ZINC000014215455 845932118 /nfs/dbraw/zinc/93/21/18/845932118.db2.gz LVAARYOLNNIHKN-UHFFFAOYSA-N 1 1 418.513 4.493 20 10 HICDMO CCC[N@H+](Cc1nnc(-c2ccccc2Cl)o1)Cc1cc2c(cc1O)OCO2 ZINC000014274092 845934073 /nfs/dbraw/zinc/93/40/73/845934073.db2.gz AAEPKHUUHDMQFO-UHFFFAOYSA-N 1 1 401.850 4.237 20 10 HICDMO CCC[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)Cc1cc2c(cc1O)OCO2 ZINC000014274092 845934084 /nfs/dbraw/zinc/93/40/84/845934084.db2.gz AAEPKHUUHDMQFO-UHFFFAOYSA-N 1 1 401.850 4.237 20 10 HICDMO COc1ccc(N2CCC[N@H+]([C@@H](C)c3nc(-c4ccc(C)c(F)c4)no3)CC2)cc1 ZINC000108088772 852822213 /nfs/dbraw/zinc/82/22/13/852822213.db2.gz NXZBSUFUTDCLLW-KRWDZBQOSA-N 1 1 410.493 4.466 20 10 HICDMO C[C@H](c1ccccc1)[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1O ZINC000216481090 853854320 /nfs/dbraw/zinc/85/43/20/853854320.db2.gz VGRCQROCKRIMBB-GOSISDBHSA-N 1 1 418.493 4.365 20 10 HICDMO Cc1cc(O)c(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)cc1C ZINC000237232687 853987708 /nfs/dbraw/zinc/98/77/08/853987708.db2.gz DNSFMYYKEIOJII-UHFFFAOYSA-N 1 1 407.480 4.069 20 10 HICDMO Cc1ccc([C@@H]([NH2+]Cc2ccc3c(c2)CCO3)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237980744 854128257 /nfs/dbraw/zinc/12/82/57/854128257.db2.gz WFQZZKMDVMNMMK-XMMPIXPASA-N 1 1 407.535 4.213 20 10 HICDMO COc1ccc(N2CCC[N@H+](CC(=O)N(C)[C@H](C)c3cc4ccccc4o3)CC2)cc1 ZINC000255957094 854229509 /nfs/dbraw/zinc/22/95/09/854229509.db2.gz FQOXQMHWRSUSPM-LJQANCHMSA-N 1 1 421.541 4.173 20 10 HICDMO COc1ccc(N2CCC[N@@H+](CC(=O)N(C)[C@H](C)c3cc4ccccc4o3)CC2)cc1 ZINC000255957094 854229520 /nfs/dbraw/zinc/22/95/20/854229520.db2.gz FQOXQMHWRSUSPM-LJQANCHMSA-N 1 1 421.541 4.173 20 10 HICDMO COc1cc(N2CCN(c3cc[nH+]c4ccc(Cl)cc43)CC2)cc(OC)c1OC ZINC000302147271 854537489 /nfs/dbraw/zinc/53/74/89/854537489.db2.gz IORVCWUBWJBHBE-UHFFFAOYSA-N 1 1 413.905 4.241 20 10 HICDMO O=C(C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)Nc1cc(Cl)ccc1Cl ZINC000302831161 854647529 /nfs/dbraw/zinc/64/75/29/854647529.db2.gz ASHOCKFVFKMRTO-MRXNPFEDSA-N 1 1 409.313 4.319 20 10 HICDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)Nc1cc(Cl)ccc1Cl ZINC000302831161 854647534 /nfs/dbraw/zinc/64/75/34/854647534.db2.gz ASHOCKFVFKMRTO-MRXNPFEDSA-N 1 1 409.313 4.319 20 10 HICDMO O=C(C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)Nc1c(Cl)cccc1Cl ZINC000302832831 854648499 /nfs/dbraw/zinc/64/84/99/854648499.db2.gz KEQJJVYQAZYOSJ-OAHLLOKOSA-N 1 1 409.313 4.319 20 10 HICDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)Nc1c(Cl)cccc1Cl ZINC000302832831 854648504 /nfs/dbraw/zinc/64/85/04/854648504.db2.gz KEQJJVYQAZYOSJ-OAHLLOKOSA-N 1 1 409.313 4.319 20 10 HICDMO CCC[N@@H+](CC(=O)N[C@H](C)c1ccc(Br)cc1)Cc1ccccc1O ZINC000303094022 854757240 /nfs/dbraw/zinc/75/72/40/854757240.db2.gz FAXBWXNFORJKDT-OAHLLOKOSA-N 1 1 405.336 4.244 20 10 HICDMO CCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)Cc1ccccc1O ZINC000303147084 854784577 /nfs/dbraw/zinc/78/45/77/854784577.db2.gz SBRFEZNIKQEOIK-UHFFFAOYSA-N 1 1 420.513 4.174 20 10 HICDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc(C)n(-c3ccccc3C)c2C)[C@@H](C)C1 ZINC000303710735 855145553 /nfs/dbraw/zinc/14/55/53/855145553.db2.gz PTJVXEDASCDLDC-CVDCTZTESA-N 1 1 411.590 4.269 20 10 HICDMO CC[C@H](NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)c1c(C)nn(C)c1C ZINC000435823952 861088088 /nfs/dbraw/zinc/08/80/88/861088088.db2.gz BUUMNDRDFRZBQD-NRFANRHFSA-N 1 1 421.589 4.026 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000467862111 881715252 /nfs/dbraw/zinc/71/52/52/881715252.db2.gz GHNPZNOLFGEQLG-INIZCTEOSA-N 1 1 407.480 4.209 20 10 HICDMO Cc1cc([C@H]2CCCN2C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)on1 ZINC000444033499 868567034 /nfs/dbraw/zinc/56/70/34/868567034.db2.gz SCXCDJFZLSPNGD-JOCHJYFZSA-N 1 1 406.530 4.068 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)[C@@H](C)c2cccc(O)c2)C1 ZINC000444296297 868726371 /nfs/dbraw/zinc/72/63/71/868726371.db2.gz QBEAFJIRYBCLHY-SFHVURJKSA-N 1 1 405.542 4.333 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccccc2-c2cn[nH]c2)C1 ZINC000444367292 868793713 /nfs/dbraw/zinc/79/37/13/868793713.db2.gz SWCXAIXDBFGPJQ-UHFFFAOYSA-N 1 1 413.525 4.437 20 10 HICDMO CCCc1nc(-c2noc(Cn3c4ccccc4c4c3CC[N@@H+](C(C)C)C4)n2)co1 ZINC000573827584 948304717 /nfs/dbraw/zinc/30/47/17/948304717.db2.gz OQQIHZRHDWTGKE-UHFFFAOYSA-N 1 1 405.502 4.447 20 10 HICDMO CC[C@H](NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)c1c(C)noc1C ZINC000436022114 861314570 /nfs/dbraw/zinc/31/45/70/861314570.db2.gz ALWCBNMKOHIULF-FQEVSTJZSA-N 1 1 408.546 4.280 20 10 HICDMO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000011193288 845764783 /nfs/dbraw/zinc/76/47/83/845764783.db2.gz DBQGLBISJVDEOT-IBGZPJMESA-N 1 1 409.574 4.280 20 10 HICDMO CC(C)(C)c1cc(O)c(O)c(C[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1 ZINC000027539004 847317355 /nfs/dbraw/zinc/31/73/55/847317355.db2.gz DFSNNEAPYCGBRO-UHFFFAOYSA-N 1 1 408.542 4.452 20 10 HICDMO COc1ccc(N2CCC[N@H+](CC(=O)N(C)[C@@H](C)c3cc4ccccc4o3)CC2)cc1 ZINC000195680870 853755096 /nfs/dbraw/zinc/75/50/96/853755096.db2.gz FQOXQMHWRSUSPM-IBGZPJMESA-N 1 1 421.541 4.173 20 10 HICDMO COc1ccc(N2CCC[N@@H+](CC(=O)N(C)[C@@H](C)c3cc4ccccc4o3)CC2)cc1 ZINC000195680870 853755104 /nfs/dbraw/zinc/75/51/04/853755104.db2.gz FQOXQMHWRSUSPM-IBGZPJMESA-N 1 1 421.541 4.173 20 10 HICDMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NCCc2ccc(O)c(O)c2)n1 ZINC000301571482 854422562 /nfs/dbraw/zinc/42/25/62/854422562.db2.gz OELHJDUEGMVLOF-UHFFFAOYSA-N 1 1 420.538 4.486 20 10 HICDMO COc1ccc(Cl)cc1NC(=O)CC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000303358162 854891168 /nfs/dbraw/zinc/89/11/68/854891168.db2.gz INODTFACLPKQPO-GOSISDBHSA-N 1 1 418.921 4.064 20 10 HICDMO Oc1ccccc1C[N@@H+](CCc1nc(-c2cccc(Cl)c2)no1)C[C@H]1CCCO1 ZINC000303815617 855218323 /nfs/dbraw/zinc/21/83/23/855218323.db2.gz JCYHICXWNYASEZ-LJQANCHMSA-N 1 1 413.905 4.319 20 10 HICDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000435547813 860862712 /nfs/dbraw/zinc/86/27/12/860862712.db2.gz KDARJWDOAWOXSU-UHFFFAOYSA-N 1 1 404.558 4.108 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(-n3ccnc3)c2)C1 ZINC000435556837 860876191 /nfs/dbraw/zinc/87/61/91/860876191.db2.gz GBFKMRYCMCJIAF-UHFFFAOYSA-N 1 1 413.525 4.232 20 10 HICDMO CCSc1nnc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)s1 ZINC000435644128 860930048 /nfs/dbraw/zinc/93/00/48/860930048.db2.gz IBXKFDMMCZCLHU-UHFFFAOYSA-N 1 1 415.588 4.010 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2cc(Cl)cn2C)C1 ZINC000435829219 861094084 /nfs/dbraw/zinc/09/40/84/861094084.db2.gz VTGRGUJUBYBPIY-UHFFFAOYSA-N 1 1 412.965 4.058 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](c2cnn(C)c2)C(C)(C)C)C1 ZINC000435862662 861122866 /nfs/dbraw/zinc/12/28/66/861122866.db2.gz PENGDBWYWOSYPD-DEOSSOPVSA-N 1 1 421.589 4.045 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H]2c2cccn2C)C1 ZINC000443918956 868455258 /nfs/dbraw/zinc/45/52/58/868455258.db2.gz WWHHIWAWCLGXGS-XMMPIXPASA-N 1 1 404.558 4.110 20 10 HICDMO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)CC(=O)c2cccs2)C1 ZINC000444342483 868772672 /nfs/dbraw/zinc/77/26/72/868772672.db2.gz XHFIBDBJGWIRDG-KRWDZBQOSA-N 1 1 423.582 4.247 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)C1 ZINC000470632453 885057477 /nfs/dbraw/zinc/05/74/77/885057477.db2.gz BPNYZONVBZNQKH-CRAIPNDOSA-N 1 1 407.480 4.207 20 10 HICDMO Cc1c2ccccc2n(C)c1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000471870786 886648375 /nfs/dbraw/zinc/64/83/75/886648375.db2.gz KIYJTVUQTYOQTB-FRIKZZABSA-N 1 1 416.569 4.482 20 10 HICDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000472071879 886876558 /nfs/dbraw/zinc/87/65/58/886876558.db2.gz BTPYXEXSQLNESC-NQIIRXRSSA-N 1 1 404.558 4.339 20 10 HICDMO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000472219058 887020947 /nfs/dbraw/zinc/02/09/47/887020947.db2.gz FCNQNJUDSLIEEI-NRFANRHFSA-N 1 1 419.573 4.078 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cc(F)cc(F)c2F)C1 ZINC000554059573 942027316 /nfs/dbraw/zinc/02/73/16/942027316.db2.gz NJXWHBKAMRWIFJ-UHFFFAOYSA-N 1 1 401.432 4.464 20 10 HICDMO COc1cc(-c2noc(Cn3c4ccccc4c4c3CC[N@@H+](C(C)C)C4)n2)cc(C)n1 ZINC000565565239 945849697 /nfs/dbraw/zinc/84/96/97/945849697.db2.gz MDTPLETYCSWRRY-UHFFFAOYSA-N 1 1 417.513 4.218 20 10 HICDMO CCC[C@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000015571930 846065157 /nfs/dbraw/zinc/06/51/57/846065157.db2.gz WKKDVQJXFZJUGK-YKSBVNFPSA-N 1 1 409.574 4.001 20 10 HICDMO CCN(CC)c1ccc(CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000139866093 853423985 /nfs/dbraw/zinc/42/39/85/853423985.db2.gz DBWULEMFQRQBBZ-UHFFFAOYSA-N 1 1 412.603 4.403 20 10 HICDMO C[C@@H](c1ccccc1)[N@@H+](CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccccc1O ZINC000216486983 853854280 /nfs/dbraw/zinc/85/42/80/853854280.db2.gz WLKMVIXHVXJPIK-SFHVURJKSA-N 1 1 418.493 4.001 20 10 HICDMO Nc1ccc(CC(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)cc1 ZINC000238070714 854140862 /nfs/dbraw/zinc/14/08/62/854140862.db2.gz JXUHBVDADIOLIJ-UHFFFAOYSA-N 1 1 409.530 4.023 20 10 HICDMO COc1ccc([C@@H](NC(=O)C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)C2CC2)cc1 ZINC000248058643 854176604 /nfs/dbraw/zinc/17/66/04/854176604.db2.gz PFWJLGWUQOVQBR-SANMLTNESA-N 1 1 421.585 4.385 20 10 HICDMO COc1ccc([C@@H](NC(=O)C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)C2CC2)cc1 ZINC000248058643 854176607 /nfs/dbraw/zinc/17/66/07/854176607.db2.gz PFWJLGWUQOVQBR-SANMLTNESA-N 1 1 421.585 4.385 20 10 HICDMO O=C(C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Nc1cc(Cl)ccc1Cl ZINC000302831159 854647548 /nfs/dbraw/zinc/64/75/48/854647548.db2.gz ASHOCKFVFKMRTO-INIZCTEOSA-N 1 1 409.313 4.319 20 10 HICDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Nc1cc(Cl)ccc1Cl ZINC000302831159 854647551 /nfs/dbraw/zinc/64/75/51/854647551.db2.gz ASHOCKFVFKMRTO-INIZCTEOSA-N 1 1 409.313 4.319 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCOc3c(F)cccc32)C1 ZINC000435515717 860834077 /nfs/dbraw/zinc/83/40/77/860834077.db2.gz IJKIYBWDIJPILW-NRFANRHFSA-N 1 1 421.516 4.187 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(-n3ccnc3)cc2)C1 ZINC000435642760 860931219 /nfs/dbraw/zinc/93/12/19/860931219.db2.gz XTIVMVSXQZYFOC-UHFFFAOYSA-N 1 1 413.525 4.232 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2nnc(-c3ccco3)s2)C1 ZINC000435662572 860942261 /nfs/dbraw/zinc/94/22/61/860942261.db2.gz KUEHIHXHPYIBHX-UHFFFAOYSA-N 1 1 421.526 4.158 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)C1 ZINC000435905915 861165358 /nfs/dbraw/zinc/16/53/58/861165358.db2.gz CZHXGEUQGIXEEO-XXAUWVGASA-N 1 1 413.565 4.110 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCOC3(CCCCC3)C2)C1 ZINC000435915434 861175707 /nfs/dbraw/zinc/17/57/07/861175707.db2.gz QUOFQGWRRWHGHO-FQEVSTJZSA-N 1 1 423.601 4.406 20 10 HICDMO CCOCCC1(CNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CCC1 ZINC000435922802 861181668 /nfs/dbraw/zinc/18/16/68/861181668.db2.gz QAVKWFZZQKRDCY-UHFFFAOYSA-N 1 1 411.590 4.121 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(-c3cc[nH]n3)c2)C1 ZINC000443946206 868482683 /nfs/dbraw/zinc/48/26/83/868482683.db2.gz ICQNBYABBMUSOQ-UHFFFAOYSA-N 1 1 413.525 4.437 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2cnc3ccccc3c2)C1 ZINC000443994532 868516070 /nfs/dbraw/zinc/51/60/70/868516070.db2.gz DPGZMTGRBYXNRY-UHFFFAOYSA-N 1 1 412.537 4.272 20 10 HICDMO Cc1c2ccc(NC(=O)Cn3c4ccccc4c4c3CC[N@H+](C(C)C)C4)cc2nn1C ZINC000485449803 900744464 /nfs/dbraw/zinc/74/44/64/900744464.db2.gz KCNCDIMMILHUEE-UHFFFAOYSA-N 1 1 415.541 4.242 20 10 HICDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1 ZINC000490400275 903984336 /nfs/dbraw/zinc/98/43/36/903984336.db2.gz NDTIWOICLMRJNW-UHFFFAOYSA-N 1 1 413.606 4.489 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2Cc2nc(COc3ccccc3)no2)C1 ZINC000576025842 948813031 /nfs/dbraw/zinc/81/30/31/948813031.db2.gz WVBMWZRDFARNSP-UHFFFAOYSA-N 1 1 402.498 4.418 20 10 HICDMO O=C(/C=C/c1ccc(O)c(O)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000059972655 851028376 /nfs/dbraw/zinc/02/83/76/851028376.db2.gz YETJQMBJCJCZFG-WYMLVPIESA-N 1 1 414.505 4.045 20 10 HICDMO COc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c3cc4ccccc4o3)CC2)cc1 ZINC000097494644 852619167 /nfs/dbraw/zinc/61/91/67/852619167.db2.gz VOVILZSXADEBIA-OALUTQOASA-N 1 1 421.541 4.219 20 10 HICDMO COc1ccc(N2CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c3cc4ccccc4o3)CC2)cc1 ZINC000097494644 852619171 /nfs/dbraw/zinc/61/91/71/852619171.db2.gz VOVILZSXADEBIA-OALUTQOASA-N 1 1 421.541 4.219 20 10 HICDMO COc1ccc(N2CCC[N@@H+](Cc3ccc(OCc4ccncc4)cc3)CC2)cc1 ZINC000143433824 853515138 /nfs/dbraw/zinc/51/51/38/853515138.db2.gz FYOJVADIIVSHJG-UHFFFAOYSA-N 1 1 403.526 4.382 20 10 HICDMO O=C(C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)Nc1ccccc1C(F)(F)F ZINC000302832771 854648547 /nfs/dbraw/zinc/64/85/47/854648547.db2.gz JFIRCVDTIOEMPO-MRXNPFEDSA-N 1 1 408.420 4.031 20 10 HICDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)Nc1ccccc1C(F)(F)F ZINC000302832771 854648550 /nfs/dbraw/zinc/64/85/50/854648550.db2.gz JFIRCVDTIOEMPO-MRXNPFEDSA-N 1 1 408.420 4.031 20 10 HICDMO CC1CCN(c2ccc(CNC(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)cc2)CC1 ZINC000303386954 854903861 /nfs/dbraw/zinc/90/38/61/854903861.db2.gz NWMAKHXXSJWPDL-XMMPIXPASA-N 1 1 406.574 4.121 20 10 HICDMO CC1CCN(c2ccc(CNC(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)cc2)CC1 ZINC000303386954 854903869 /nfs/dbraw/zinc/90/38/69/854903869.db2.gz NWMAKHXXSJWPDL-XMMPIXPASA-N 1 1 406.574 4.121 20 10 HICDMO COCCOc1cccc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)c1 ZINC000435555360 860874205 /nfs/dbraw/zinc/87/42/05/860874205.db2.gz FMGYJSHBUWRBNF-UHFFFAOYSA-N 1 1 421.541 4.072 20 10 HICDMO CC[C@@H](NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)c1c(C)nn(C)c1C ZINC000435823953 861088666 /nfs/dbraw/zinc/08/86/66/861088666.db2.gz BUUMNDRDFRZBQD-OAQYLSRUSA-N 1 1 421.589 4.026 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCOc3ccccc32)C1 ZINC000435875627 861134791 /nfs/dbraw/zinc/13/47/91/861134791.db2.gz DMLKXVVJYKFWJR-IBGZPJMESA-N 1 1 417.553 4.090 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccn(C3CCCC3)n2)C1 ZINC000435905462 861166266 /nfs/dbraw/zinc/16/62/66/861166266.db2.gz FTDCMDQTCNQRAS-UHFFFAOYSA-N 1 1 419.573 4.036 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)[C@@H]2COc3ccccc32)C1 ZINC000435913419 861176146 /nfs/dbraw/zinc/17/61/46/861176146.db2.gz AUPAVEYBEPSCRY-AVRDEDQJSA-N 1 1 417.553 4.089 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2nccc3ccccc32)C1 ZINC000443909638 868445315 /nfs/dbraw/zinc/44/53/15/868445315.db2.gz RLAPTGDUENXDBK-UHFFFAOYSA-N 1 1 412.537 4.272 20 10 HICDMO Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000471283461 885864837 /nfs/dbraw/zinc/86/48/37/885864837.db2.gz PWVFYHHBNNKNAU-SFHVURJKSA-N 1 1 406.530 4.202 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cnn([C@@H](C)C3CC3)c2)C1 ZINC000435993308 861274117 /nfs/dbraw/zinc/27/41/17/861274117.db2.gz GBSZFXUSIJGBHD-KRWDZBQOSA-N 1 1 405.546 4.214 20 10 HICDMO CC(C)n1nc2c(c1NC(=O)Cn1c3ccccc3c3c1CC[N@@H+](C(C)C)C3)CCC2 ZINC000436010346 861300909 /nfs/dbraw/zinc/30/09/09/861300909.db2.gz XRRGABJTABNBSA-UHFFFAOYSA-N 1 1 419.573 4.313 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](c2cccnc2)C2CC2)C1 ZINC000436022756 861316241 /nfs/dbraw/zinc/31/62/41/861316241.db2.gz MYEDULSPHOTWLO-VWLOTQADSA-N 1 1 402.542 4.070 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cc(C3CCCC3)nn2C)C1 ZINC000436029236 861322175 /nfs/dbraw/zinc/32/21/75/861322175.db2.gz XFFFHCIVERJWMY-UHFFFAOYSA-N 1 1 419.573 4.438 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ncn(C3CCCCC3)n2)C1 ZINC000436033964 861327284 /nfs/dbraw/zinc/32/72/84/861327284.db2.gz BYGUHQMXSGPTLQ-UHFFFAOYSA-N 1 1 420.561 4.143 20 10 HICDMO COc1cccc2c1CCN(C(=O)Cn1c3ccccc3c3c1CC[N@@H+](C(C)C)C3)C2 ZINC000436038593 861329503 /nfs/dbraw/zinc/32/95/03/861329503.db2.gz XGOXNBXCIMUGCT-UHFFFAOYSA-N 1 1 417.553 4.001 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)C1 ZINC000436044614 861334289 /nfs/dbraw/zinc/33/42/89/861334289.db2.gz MWYWSMZVTIOSCU-JPYJTQIMSA-N 1 1 411.590 4.118 20 10 HICDMO CCC[C@@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000015571929 846065136 /nfs/dbraw/zinc/06/51/36/846065136.db2.gz WKKDVQJXFZJUGK-HYBUGGRVSA-N 1 1 409.574 4.001 20 10 HICDMO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000016387227 846163354 /nfs/dbraw/zinc/16/33/54/846163354.db2.gz DBISGSKONFHHMP-INIZCTEOSA-N 1 1 421.463 4.001 20 10 HICDMO COc1ccc(N2CCC[N@H+](CC(=O)c3cc(C)n(CC(F)(F)F)c3C)CC2)cc1 ZINC000097494626 852619364 /nfs/dbraw/zinc/61/93/64/852619364.db2.gz XHBOZVJHPRBXAF-UHFFFAOYSA-N 1 1 423.479 4.071 20 10 HICDMO COc1ccc(N2CCC[N@@H+](CC(=O)c3cc(C)n(CC(F)(F)F)c3C)CC2)cc1 ZINC000097494626 852619369 /nfs/dbraw/zinc/61/93/69/852619369.db2.gz XHBOZVJHPRBXAF-UHFFFAOYSA-N 1 1 423.479 4.071 20 10 HICDMO COc1ccccc1CCNC(=O)C[N@@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000216485750 853854310 /nfs/dbraw/zinc/85/43/10/853854310.db2.gz OMCBNVJTRAPQDU-HXUWFJFHSA-N 1 1 418.537 4.323 20 10 HICDMO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000217139010 853860304 /nfs/dbraw/zinc/86/03/04/853860304.db2.gz JPBDGRFZNUBGOW-NQIIRXRSSA-N 1 1 422.525 4.339 20 10 HICDMO CCc1ccc([C@H]([NH2+]Cc2ccc3c(c2)CCO3)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237099838 853963868 /nfs/dbraw/zinc/96/38/68/853963868.db2.gz YIEUYHDHFDPZPV-VWLOTQADSA-N 1 1 421.562 4.467 20 10 HICDMO CC[C@@H](NC(=O)C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1)c1ccc(Cl)cc1 ZINC000302964695 854699420 /nfs/dbraw/zinc/69/94/20/854699420.db2.gz MUAYHIPGMSPLPE-JOCHJYFZSA-N 1 1 415.965 4.128 20 10 HICDMO CC[C@@H](NC(=O)C[N@H+]1CCCN(c2ccc(OC)cc2)CC1)c1ccc(Cl)cc1 ZINC000302964695 854699428 /nfs/dbraw/zinc/69/94/28/854699428.db2.gz MUAYHIPGMSPLPE-JOCHJYFZSA-N 1 1 415.965 4.128 20 10 HICDMO CC(C)[C@H](NC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000303379541 854900160 /nfs/dbraw/zinc/90/01/60/854900160.db2.gz NLOZMGCESOOTQA-URXFXBBRSA-N 1 1 414.521 4.026 20 10 HICDMO CC(C)[C@H](NC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000303379541 854900169 /nfs/dbraw/zinc/90/01/69/854900169.db2.gz NLOZMGCESOOTQA-URXFXBBRSA-N 1 1 414.521 4.026 20 10 HICDMO COCCOc1ccccc1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435513438 860831584 /nfs/dbraw/zinc/83/15/84/860831584.db2.gz DFFOUYXHEMREAQ-UHFFFAOYSA-N 1 1 421.541 4.072 20 10 HICDMO CC(=O)Nc1ccc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)cc1 ZINC000435646110 860932079 /nfs/dbraw/zinc/93/20/79/860932079.db2.gz NGPOSHXGDOVSQH-UHFFFAOYSA-N 1 1 404.514 4.005 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC2CCC3(CCOCC3)CC2)C1 ZINC000435815321 861079861 /nfs/dbraw/zinc/07/98/61/861079861.db2.gz CGCXRSRWXVHJAT-UHFFFAOYSA-N 1 1 423.601 4.263 20 10 HICDMO CC(C)N(Cc1cccnc1)C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000444032295 868565208 /nfs/dbraw/zinc/56/52/08/868565208.db2.gz PAYJDRWSTXUAMT-UHFFFAOYSA-N 1 1 404.558 4.240 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@@H](c3cccs3)C2)C1 ZINC000444273445 868709649 /nfs/dbraw/zinc/70/96/49/868709649.db2.gz PEMYCKMWZQQSIL-JOCHJYFZSA-N 1 1 423.582 4.069 20 10 HICDMO CSc1cc(O)ccc1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000444401300 868812479 /nfs/dbraw/zinc/81/24/79/868812479.db2.gz BKTKFVXAAXVUPZ-UHFFFAOYSA-N 1 1 409.555 4.474 20 10 HICDMO Cc1c2ccccc2n(C)c1CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472221098 887024609 /nfs/dbraw/zinc/02/46/09/887024609.db2.gz ICTYVUUFJGPODT-OAQYLSRUSA-N 1 1 404.558 4.150 20 10 HICDMO Cc1c2ccccc2n(C)c1CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472221091 887024967 /nfs/dbraw/zinc/02/49/67/887024967.db2.gz ICTYVUUFJGPODT-NRFANRHFSA-N 1 1 404.558 4.150 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC(C)(C)[C@@H]2c2ccncc2)C1 ZINC000476709401 891671198 /nfs/dbraw/zinc/67/11/98/891671198.db2.gz OOUDXVBXTIFMCO-VWLOTQADSA-N 1 1 416.569 4.413 20 10 HICDMO COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)ccc21 ZINC000510790369 919257170 /nfs/dbraw/zinc/25/71/70/919257170.db2.gz AJVWMZSJVSICEW-WIYYLYMNSA-N 1 1 411.590 4.287 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC(C)(C)[C@H]2c2cccnc2)C1 ZINC000557378215 943093457 /nfs/dbraw/zinc/09/34/57/943093457.db2.gz WYSMSPXKCIHWTQ-RUZDIDTESA-N 1 1 416.569 4.413 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCc3c(F)cccc3C2)C1 ZINC000436032267 861325614 /nfs/dbraw/zinc/32/56/14/861325614.db2.gz ZATHNCHNAPEXIS-UHFFFAOYSA-N 1 1 405.517 4.132 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc3c2OCCC3=O)C1 ZINC000436038603 861329402 /nfs/dbraw/zinc/32/94/02/861329402.db2.gz XHGHPHHQLOAJLU-UHFFFAOYSA-N 1 1 417.509 4.012 20 10 HICDMO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000016387225 846163558 /nfs/dbraw/zinc/16/35/58/846163558.db2.gz DBISGSKONFHHMP-MRXNPFEDSA-N 1 1 421.463 4.001 20 10 HICDMO O=C(C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)Nc1cccc(C(F)(F)F)c1 ZINC000096970946 852565382 /nfs/dbraw/zinc/56/53/82/852565382.db2.gz SKFFZPMAHYEJEU-GOSISDBHSA-N 1 1 408.420 4.031 20 10 HICDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)Nc1cccc(C(F)(F)F)c1 ZINC000096970946 852565392 /nfs/dbraw/zinc/56/53/92/852565392.db2.gz SKFFZPMAHYEJEU-GOSISDBHSA-N 1 1 408.420 4.031 20 10 HICDMO O=C(C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Nc1cccc(C(F)(F)F)c1 ZINC000096970945 852565694 /nfs/dbraw/zinc/56/56/94/852565694.db2.gz SKFFZPMAHYEJEU-SFHVURJKSA-N 1 1 408.420 4.031 20 10 HICDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Nc1cccc(C(F)(F)F)c1 ZINC000096970945 852565701 /nfs/dbraw/zinc/56/57/01/852565701.db2.gz SKFFZPMAHYEJEU-SFHVURJKSA-N 1 1 408.420 4.031 20 10 HICDMO Oc1c(Br)cccc1C[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000122368262 853369761 /nfs/dbraw/zinc/36/97/61/853369761.db2.gz HZKIIJBAVGKDPT-UHFFFAOYSA-N 1 1 413.109 4.142 20 10 HICDMO COc1ccc([C@H](NC(=O)C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)C2CC2)cc1 ZINC000248058639 854176576 /nfs/dbraw/zinc/17/65/76/854176576.db2.gz PFWJLGWUQOVQBR-AREMUKBSSA-N 1 1 421.585 4.385 20 10 HICDMO COc1ccc([C@H](NC(=O)C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)C2CC2)cc1 ZINC000248058639 854176579 /nfs/dbraw/zinc/17/65/79/854176579.db2.gz PFWJLGWUQOVQBR-AREMUKBSSA-N 1 1 421.585 4.385 20 10 HICDMO CCC[N@@H+](CC(=O)N[C@@H](C)c1ccc(Br)cc1)Cc1ccccc1O ZINC000303094021 854757342 /nfs/dbraw/zinc/75/73/42/854757342.db2.gz FAXBWXNFORJKDT-HNNXBMFYSA-N 1 1 405.336 4.244 20 10 HICDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)[C@@H](C)C1 ZINC000303740004 855164636 /nfs/dbraw/zinc/16/46/36/855164636.db2.gz YECVEGNFUYBREP-CYFREDJKSA-N 1 1 411.590 4.269 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ncc(C(C)(C)C)o2)C1 ZINC000444289816 868719939 /nfs/dbraw/zinc/71/99/39/868719939.db2.gz NTMMLFXBLAJHOB-UHFFFAOYSA-N 1 1 408.546 4.010 20 10 HICDMO CCOc1cc(O)ccc1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000444413113 868816606 /nfs/dbraw/zinc/81/66/06/868816606.db2.gz SSKNESJRSBXIFU-UHFFFAOYSA-N 1 1 407.514 4.151 20 10 HICDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000436015410 861305813 /nfs/dbraw/zinc/30/58/13/861305813.db2.gz HTEVKCCCLBWWSO-UHFFFAOYSA-N 1 1 418.585 4.151 20 10 HICDMO Cc1c(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)cccc1N(C)C ZINC000436035043 861326714 /nfs/dbraw/zinc/32/67/14/861326714.db2.gz ULKVJVOTAUOFFJ-UHFFFAOYSA-N 1 1 404.558 4.421 20 10 HICDMO O=C(C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccc(N2CCCCC2)cc1 ZINC000096970959 852565875 /nfs/dbraw/zinc/56/58/75/852565875.db2.gz UAZGQLIYQFWKEL-QHCPKHFHSA-N 1 1 423.557 4.002 20 10 HICDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccc(N2CCCCC2)cc1 ZINC000096970959 852565876 /nfs/dbraw/zinc/56/58/76/852565876.db2.gz UAZGQLIYQFWKEL-QHCPKHFHSA-N 1 1 423.557 4.002 20 10 HICDMO C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237125737 853967283 /nfs/dbraw/zinc/96/72/83/853967283.db2.gz CJOTZXVWICYJPN-QRWLVFNGSA-N 1 1 423.435 4.492 20 10 HICDMO C[N@H+]1CCC[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237125737 853967290 /nfs/dbraw/zinc/96/72/90/853967290.db2.gz CJOTZXVWICYJPN-QRWLVFNGSA-N 1 1 423.435 4.492 20 10 HICDMO CC(C)(C)OC(=O)N1CCC(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000303326980 854873756 /nfs/dbraw/zinc/87/37/56/854873756.db2.gz BWMMNYWLEHADFB-FQEVSTJZSA-N 1 1 404.551 4.020 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCOC3(CCCC3)C2)C1 ZINC000435911792 861174193 /nfs/dbraw/zinc/17/41/93/861174193.db2.gz PMRCTHYDMYXRKQ-LJQANCHMSA-N 1 1 409.574 4.016 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(N3CCCC3)nc2)C1 ZINC000443913443 868448984 /nfs/dbraw/zinc/44/89/84/868448984.db2.gz AMPLMWAMPKIQEZ-UHFFFAOYSA-N 1 1 417.557 4.042 20 10 HICDMO CCc1cnccc1[C@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000444262298 868704135 /nfs/dbraw/zinc/70/41/35/868704135.db2.gz AHPOMKBYGUONGM-SFHVURJKSA-N 1 1 404.558 4.243 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)C1 ZINC000444338616 868766525 /nfs/dbraw/zinc/76/65/25/868766525.db2.gz QUUPREMICSMMPS-IBGZPJMESA-N 1 1 419.569 4.203 20 10 HICDMO Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000471243730 885820322 /nfs/dbraw/zinc/82/03/22/885820322.db2.gz ZNGQJLIKKXSZAF-UHFFFAOYSA-N 1 1 408.571 4.357 20 10 HICDMO Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000472219059 887020253 /nfs/dbraw/zinc/02/02/53/887020253.db2.gz FCNQNJUDSLIEEI-OAQYLSRUSA-N 1 1 419.573 4.078 20 10 HICDMO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CC[N@H+]([C@@H](C)c4ccccc4)C3)ccc21 ZINC000483467214 899109020 /nfs/dbraw/zinc/10/90/20/899109020.db2.gz HRBRIQQOISDTGG-NZQKXSOJSA-N 1 1 419.569 4.470 20 10 HICDMO CCc1ccnc(-c2noc(Cn3c4ccccc4c4c3CC[N@@H+](C(C)C)C4)n2)c1 ZINC000572443313 947908051 /nfs/dbraw/zinc/90/80/51/947908051.db2.gz CJUDXYVGRHGZSA-UHFFFAOYSA-N 1 1 401.514 4.464 20 10 HICDMO Cc1cc(C(=O)C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c(C)n1CC(F)(F)F ZINC000096967553 852564023 /nfs/dbraw/zinc/56/40/23/852564023.db2.gz RHXTZKAUBHNVLC-GOSISDBHSA-N 1 1 424.463 4.237 20 10 HICDMO Cc1cc(C(=O)C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)c(C)n1CC(F)(F)F ZINC000096967553 852564030 /nfs/dbraw/zinc/56/40/30/852564030.db2.gz RHXTZKAUBHNVLC-GOSISDBHSA-N 1 1 424.463 4.237 20 10 HICDMO O=C(C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccc(Cl)cc1Cl ZINC000096970969 852565790 /nfs/dbraw/zinc/56/57/90/852565790.db2.gz ICJAMWUTFZCKQZ-INIZCTEOSA-N 1 1 409.313 4.319 20 10 HICDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccc(Cl)cc1Cl ZINC000096970969 852565795 /nfs/dbraw/zinc/56/57/95/852565795.db2.gz ICJAMWUTFZCKQZ-INIZCTEOSA-N 1 1 409.313 4.319 20 10 HICDMO O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000148907160 853614868 /nfs/dbraw/zinc/61/48/68/853614868.db2.gz VDXIVDHREYEPLK-HXUWFJFHSA-N 1 1 412.603 4.060 20 10 HICDMO CCN(CC)c1ccc(CNC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000195565110 853685678 /nfs/dbraw/zinc/68/56/78/853685678.db2.gz MJZHGIBIDJJPAC-UHFFFAOYSA-N 1 1 412.553 4.089 20 10 HICDMO CCN(CC)c1ccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000195565110 853685683 /nfs/dbraw/zinc/68/56/83/853685683.db2.gz MJZHGIBIDJJPAC-UHFFFAOYSA-N 1 1 412.553 4.089 20 10 HICDMO COc1ccccc1CCNC(=O)C[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000216485704 853854373 /nfs/dbraw/zinc/85/43/73/853854373.db2.gz OMCBNVJTRAPQDU-FQEVSTJZSA-N 1 1 418.537 4.323 20 10 HICDMO Cc1cc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)c(C)n1-c1ccc(C#N)cc1 ZINC000303159544 854792212 /nfs/dbraw/zinc/79/22/12/854792212.db2.gz GULFBPFDSPNAPY-UHFFFAOYSA-N 1 1 412.537 4.144 20 10 HICDMO Cc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3O)[C@@H](c3ccco3)C2)cc1 ZINC000303398357 854908013 /nfs/dbraw/zinc/90/80/13/854908013.db2.gz QZCXKOOXKSYVOZ-OAQYLSRUSA-N 1 1 403.482 4.103 20 10 HICDMO Cc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3O)[C@@H](c3ccco3)C2)cc1 ZINC000303398357 854908021 /nfs/dbraw/zinc/90/80/21/854908021.db2.gz QZCXKOOXKSYVOZ-OAQYLSRUSA-N 1 1 403.482 4.103 20 10 HICDMO CCN(Cc1ccccc1)c1ccc(CNC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000303674327 855124596 /nfs/dbraw/zinc/12/45/96/855124596.db2.gz FDWVGCLLSAMCAK-XMMPIXPASA-N 1 1 407.602 4.304 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCOc3c(F)cccc32)C1 ZINC000435515718 860833846 /nfs/dbraw/zinc/83/38/46/860833846.db2.gz IJKIYBWDIJPILW-OAQYLSRUSA-N 1 1 421.516 4.187 20 10 HICDMO CC(=O)Nc1cc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)ccc1C ZINC000435549208 860864435 /nfs/dbraw/zinc/86/44/35/860864435.db2.gz TVIMDULWLFCKIX-UHFFFAOYSA-N 1 1 418.541 4.313 20 10 HICDMO CC(=O)Nc1cccc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)c1 ZINC000435658755 860938893 /nfs/dbraw/zinc/93/88/93/860938893.db2.gz BPKLKCXLAFDUCG-UHFFFAOYSA-N 1 1 404.514 4.005 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCOC[C@@H]2c2ccccc2)C1 ZINC000435815783 861080763 /nfs/dbraw/zinc/08/07/63/861080763.db2.gz AOBSHCGZIHLTHH-RUZDIDTESA-N 1 1 417.553 4.008 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCc3ccc(F)c(F)c3C2)C1 ZINC000435913577 861176111 /nfs/dbraw/zinc/17/61/11/861176111.db2.gz BIUXFZWYZQBCNF-UHFFFAOYSA-N 1 1 423.507 4.271 20 10 HICDMO Cc1cc2n[nH]cc2cc1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000444365575 868790941 /nfs/dbraw/zinc/79/09/41/868790941.db2.gz BCBMNCXEBZYLPM-UHFFFAOYSA-N 1 1 401.514 4.231 20 10 HICDMO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000471986180 886813015 /nfs/dbraw/zinc/81/30/15/886813015.db2.gz WECSVIAEGZLMBJ-HTAPYJJXSA-N 1 1 410.587 4.431 20 10 HICDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000472071881 886876105 /nfs/dbraw/zinc/87/61/05/886876105.db2.gz BTPYXEXSQLNESC-WIYYLYMNSA-N 1 1 404.558 4.339 20 10 HICDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472241792 887051712 /nfs/dbraw/zinc/05/17/12/887051712.db2.gz NVNOCTQIWNVDDT-OAQYLSRUSA-N 1 1 419.573 4.078 20 10 HICDMO COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)ccc21 ZINC000486104299 901291568 /nfs/dbraw/zinc/29/15/68/901291568.db2.gz JTCGOFFQJMKPFP-SVMVAKDDSA-N 1 1 411.590 4.382 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)c2ccc(Cl)cn2)C1 ZINC000527469862 930663484 /nfs/dbraw/zinc/66/34/84/930663484.db2.gz KPTQHJGPQNCMOS-INIZCTEOSA-N 1 1 410.949 4.334 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCCC2C[C@H](C)O[C@@H](C)C2)C1 ZINC000549319600 941179744 /nfs/dbraw/zinc/17/97/44/941179744.db2.gz TWFMRFMATJHOHZ-OALUTQOASA-N 1 1 411.590 4.118 20 10 HICDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000007219214 845286366 /nfs/dbraw/zinc/28/63/66/845286366.db2.gz MCJNPWMZDFWQIY-IBGZPJMESA-N 1 1 422.598 4.200 20 10 HICDMO COc1ccc2cc(C[N@H+](C)CC(=O)N(C)Cc3ccc(N(C)C)cc3)ccc2c1 ZINC000007250611 845295572 /nfs/dbraw/zinc/29/55/72/845295572.db2.gz UOYHJOABZOKWJJ-UHFFFAOYSA-N 1 1 405.542 4.005 20 10 HICDMO COc1ccc2cc(C[N@@H+](C)CC(=O)N(C)Cc3ccc(N(C)C)cc3)ccc2c1 ZINC000007250611 845295583 /nfs/dbraw/zinc/29/55/83/845295583.db2.gz UOYHJOABZOKWJJ-UHFFFAOYSA-N 1 1 405.542 4.005 20 10 HICDMO COc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c3cc4ccccc4o3)CC2)cc1 ZINC000097494642 852619408 /nfs/dbraw/zinc/61/94/08/852619408.db2.gz VOVILZSXADEBIA-RBUKOAKNSA-N 1 1 421.541 4.219 20 10 HICDMO COc1ccc(N2CCC[N@H+]([C@H](C)C(=O)N[C@@H](C)c3cc4ccccc4o3)CC2)cc1 ZINC000097494642 852619410 /nfs/dbraw/zinc/61/94/10/852619410.db2.gz VOVILZSXADEBIA-RBUKOAKNSA-N 1 1 421.541 4.219 20 10 HICDMO CN(Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000237180375 853976208 /nfs/dbraw/zinc/97/62/08/853976208.db2.gz PGIAWJJSWDQNFM-UHFFFAOYSA-N 1 1 423.532 4.177 20 10 HICDMO O=C(C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccc(SC(F)F)cc1 ZINC000302834598 854648569 /nfs/dbraw/zinc/64/85/69/854648569.db2.gz VSECOUYCQBFWLU-KRWDZBQOSA-N 1 1 422.497 4.327 20 10 HICDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccc(SC(F)F)cc1 ZINC000302834598 854648570 /nfs/dbraw/zinc/64/85/70/854648570.db2.gz VSECOUYCQBFWLU-KRWDZBQOSA-N 1 1 422.497 4.327 20 10 HICDMO CCOc1ccc(-c2noc(C[N@@H+](Cc3ccccc3O)C[C@H]3CCCO3)n2)cc1 ZINC000303394374 854905773 /nfs/dbraw/zinc/90/57/73/854905773.db2.gz QFRBDGIGOBSMBY-HXUWFJFHSA-N 1 1 409.486 4.022 20 10 HICDMO CCOc1ccc(-c2noc(C[N@H+](Cc3ccccc3O)C[C@H]3CCCO3)n2)cc1 ZINC000303394374 854905784 /nfs/dbraw/zinc/90/57/84/854905784.db2.gz QFRBDGIGOBSMBY-HXUWFJFHSA-N 1 1 409.486 4.022 20 10 HICDMO Cc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3O)[C@H](c3ccco3)C2)cc1 ZINC000303398355 854907706 /nfs/dbraw/zinc/90/77/06/854907706.db2.gz QZCXKOOXKSYVOZ-NRFANRHFSA-N 1 1 403.482 4.103 20 10 HICDMO Cc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3O)[C@H](c3ccco3)C2)cc1 ZINC000303398355 854907710 /nfs/dbraw/zinc/90/77/10/854907710.db2.gz QZCXKOOXKSYVOZ-NRFANRHFSA-N 1 1 403.482 4.103 20 10 HICDMO COCCOC1CC[NH+](CC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)CC1 ZINC000303638366 855094956 /nfs/dbraw/zinc/09/49/56/855094956.db2.gz HHROTJRBXVWGQX-UHFFFAOYSA-N 1 1 422.928 4.197 20 10 HICDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)[C@@H](C)C1 ZINC000303677953 855126445 /nfs/dbraw/zinc/12/64/45/855126445.db2.gz JJKBMEUDDLLHPH-SBUREZEXSA-N 1 1 415.553 4.100 20 10 HICDMO Oc1ccccc1C[N@@H+](CCc1nc(-c2cccc(Cl)c2)no1)C[C@@H]1CCCO1 ZINC000303815616 855217824 /nfs/dbraw/zinc/21/78/24/855217824.db2.gz JCYHICXWNYASEZ-IBGZPJMESA-N 1 1 413.905 4.319 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(CC(F)(F)F)C2CCC2)C1 ZINC000435818467 861084371 /nfs/dbraw/zinc/08/43/71/861084371.db2.gz MPUGEYSZCJPFGY-UHFFFAOYSA-N 1 1 407.480 4.351 20 10 HICDMO Cc1cc2c[nH]nc2cc1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000444127120 868632699 /nfs/dbraw/zinc/63/26/99/868632699.db2.gz NBMYHEIUTKCPKK-UHFFFAOYSA-N 1 1 401.514 4.231 20 10 HICDMO COCCn1c(C)c(C)c2cc(C(=O)Nc3c[nH+]ccc3-n3cc(C)cn3)ccc21 ZINC000503517582 912563607 /nfs/dbraw/zinc/56/36/07/912563607.db2.gz GYWJIRFVKXLAJE-UHFFFAOYSA-N 1 1 403.486 4.046 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)C1 ZINC000470632461 885057414 /nfs/dbraw/zinc/05/74/14/885057414.db2.gz BPNYZONVBZNQKH-QAPCUYQASA-N 1 1 407.480 4.207 20 10 HICDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472115377 886900228 /nfs/dbraw/zinc/90/02/28/886900228.db2.gz NKIKFLRMYSVHKT-CTNGQTDRSA-N 1 1 404.558 4.197 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCCC2C[C@@H](C)O[C@H](C)C2)C1 ZINC000549319601 941179761 /nfs/dbraw/zinc/17/97/61/941179761.db2.gz TWFMRFMATJHOHZ-RTBURBONSA-N 1 1 411.590 4.118 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(c2ccccc2)[C@H]2CCOC2)C1 ZINC000436001191 861288532 /nfs/dbraw/zinc/28/85/32/861288532.db2.gz FYSZTKVRNQKSQT-NRFANRHFSA-N 1 1 417.553 4.230 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@H](C)C[C@H]2c2cccnc2)C1 ZINC000436033101 861325064 /nfs/dbraw/zinc/32/50/64/861325064.db2.gz JYVGKNKCDZRJHP-CLOONOSVSA-N 1 1 416.569 4.413 20 10 HICDMO C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000011193289 845764597 /nfs/dbraw/zinc/76/45/97/845764597.db2.gz DBQGLBISJVDEOT-LJQANCHMSA-N 1 1 409.574 4.280 20 10 HICDMO COc1ccc(CNC(=O)C[N@@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)cc1 ZINC000216479458 853854042 /nfs/dbraw/zinc/85/40/42/853854042.db2.gz JZEBZSMFKBFGKE-IBGZPJMESA-N 1 1 404.510 4.280 20 10 HICDMO Cc1cc(C)c(NC(=O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c(Cl)c1 ZINC000302834009 854648438 /nfs/dbraw/zinc/64/84/38/854648438.db2.gz RHRFSDDFXZOVJO-SFHVURJKSA-N 1 1 402.922 4.282 20 10 HICDMO Cc1cc(C)c(NC(=O)C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c(Cl)c1 ZINC000302834009 854648444 /nfs/dbraw/zinc/64/84/44/854648444.db2.gz RHRFSDDFXZOVJO-SFHVURJKSA-N 1 1 402.922 4.282 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2nnc(C(C)(C)C)s2)C1 ZINC000435517212 860834933 /nfs/dbraw/zinc/83/49/33/860834933.db2.gz WIYYJEZGWYJDDB-UHFFFAOYSA-N 1 1 411.575 4.196 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccc3ccccc3n2)C1 ZINC000435542492 860857245 /nfs/dbraw/zinc/85/72/45/860857245.db2.gz DOQCZWIPEGEIGW-UHFFFAOYSA-N 1 1 412.537 4.272 20 10 HICDMO Cc1nc2ccc(NC(=O)Cn3c4ccccc4c4c3CC[N@H+](C(C)C)C4)cc2o1 ZINC000435605576 860908329 /nfs/dbraw/zinc/90/83/29/860908329.db2.gz FJDGADXLFNUQRB-UHFFFAOYSA-N 1 1 402.498 4.496 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)c2nc3ccccc3o2)C1 ZINC000435665149 860943552 /nfs/dbraw/zinc/94/35/52/860943552.db2.gz PIWHYVCNVRDAOQ-UHFFFAOYSA-N 1 1 402.498 4.212 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)C1 ZINC000435905914 861166173 /nfs/dbraw/zinc/16/61/73/861166173.db2.gz CZHXGEUQGIXEEO-VHFRWLAGSA-N 1 1 413.565 4.110 20 10 HICDMO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000471986184 886812869 /nfs/dbraw/zinc/81/28/69/886812869.db2.gz WECSVIAEGZLMBJ-JTSKRJEESA-N 1 1 410.587 4.431 20 10 HICDMO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000471986186 886813331 /nfs/dbraw/zinc/81/33/31/886813331.db2.gz WECSVIAEGZLMBJ-VGOFRKELSA-N 1 1 410.587 4.431 20 10 HICDMO CC(C)C[C@H]1C[C@@H](NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CCO1 ZINC000436036453 861328260 /nfs/dbraw/zinc/32/82/60/861328260.db2.gz XPGGMDDSYZOBER-PMACEKPBSA-N 1 1 411.590 4.118 20 10 HICDMO COc1ccc(N2CCC[N@@H+](CC(=O)N(C)[C@H](C)c3ccc(Cl)cc3)CC2)cc1 ZINC000097494676 852619137 /nfs/dbraw/zinc/61/91/37/852619137.db2.gz SBGAGAOBFWTRJN-GOSISDBHSA-N 1 1 415.965 4.080 20 10 HICDMO CCN(CC)c1ccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1 ZINC000195659925 853742653 /nfs/dbraw/zinc/74/26/53/853742653.db2.gz RPEWAWXACKDVIE-UHFFFAOYSA-N 1 1 409.509 4.165 20 10 HICDMO CC(C)(C)n1ncc2c1ncnc2N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000301852449 854476441 /nfs/dbraw/zinc/47/64/41/854476441.db2.gz AVNBSPQGTYPUDI-MRXNPFEDSA-N 1 1 414.941 4.017 20 10 HICDMO O=C(C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccccc1C(F)(F)F ZINC000302832770 854648037 /nfs/dbraw/zinc/64/80/37/854648037.db2.gz JFIRCVDTIOEMPO-INIZCTEOSA-N 1 1 408.420 4.031 20 10 HICDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccccc1C(F)(F)F ZINC000302832770 854648046 /nfs/dbraw/zinc/64/80/46/854648046.db2.gz JFIRCVDTIOEMPO-INIZCTEOSA-N 1 1 408.420 4.031 20 10 HICDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc(C)n(-c3ccccc3C)c2C)[C@H](C)C1 ZINC000303710742 855145550 /nfs/dbraw/zinc/14/55/50/855145550.db2.gz PTJVXEDASCDLDC-XXBNENTESA-N 1 1 411.590 4.269 20 10 HICDMO COc1cc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)c(C)c(OC)c1 ZINC000410375795 855959657 /nfs/dbraw/zinc/95/96/57/855959657.db2.gz ZMUPQQHRMJLONM-UHFFFAOYSA-N 1 1 421.541 4.372 20 10 HICDMO CCC(=O)Nc1ccc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)cc1 ZINC000435552495 860868536 /nfs/dbraw/zinc/86/85/36/860868536.db2.gz SOZPIWFLDLANKN-UHFFFAOYSA-N 1 1 418.541 4.395 20 10 HICDMO COc1ccc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)cc1OC ZINC000435634056 860927546 /nfs/dbraw/zinc/92/75/46/860927546.db2.gz BZJBFIDWQGDYMV-UHFFFAOYSA-N 1 1 407.514 4.064 20 10 HICDMO CCN(C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)[C@@H](C)c1cccnc1 ZINC000435854741 861115601 /nfs/dbraw/zinc/11/56/01/861115601.db2.gz HQDSBJDSRSKNDV-IBGZPJMESA-N 1 1 404.558 4.413 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@H](c3ccccc3)C2)C1 ZINC000443906529 868442038 /nfs/dbraw/zinc/44/20/38/868442038.db2.gz HQARIPIDALFDJG-VWLOTQADSA-N 1 1 417.553 4.008 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC(c3ccccc3F)C2)C1 ZINC000462986541 876000907 /nfs/dbraw/zinc/00/09/07/876000907.db2.gz HJNFRLUZEZXEDY-UHFFFAOYSA-N 1 1 405.517 4.173 20 10 HICDMO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000471776105 886508169 /nfs/dbraw/zinc/50/81/69/886508169.db2.gz WPXREAHXMQTEEB-GOSISDBHSA-N 1 1 410.587 4.260 20 10 HICDMO COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@H]([N@@H+]4[C@H](C)CC[C@@H]4C)C3)ccc21 ZINC000486104294 901291521 /nfs/dbraw/zinc/29/15/21/901291521.db2.gz JTCGOFFQJMKPFP-KGVIQGDOSA-N 1 1 411.590 4.382 20 10 HICDMO Cc1c2ccccc2n(C)c1CNc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000490041494 903738475 /nfs/dbraw/zinc/73/84/75/903738475.db2.gz SAWWZCLEXXRMFT-NRFANRHFSA-N 1 1 404.558 4.265 20 10 HICDMO CCc1noc(C)c1-c1noc(Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)n1 ZINC000518257632 927113874 /nfs/dbraw/zinc/11/38/74/927113874.db2.gz GVJIPBFAGURUEY-UHFFFAOYSA-N 1 1 405.502 4.365 20 10 HICDMO CC(=O)c1cc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)ccc1F ZINC000560732811 944313944 /nfs/dbraw/zinc/31/39/44/944313944.db2.gz ZKUYYWQLKRTULK-UHFFFAOYSA-N 1 1 407.489 4.388 20 10 HICDMO Cc1cccc([C@H]2CCCN2C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)n1 ZINC000572466632 947913910 /nfs/dbraw/zinc/91/39/10/947913910.db2.gz LDBDANVKBMKIHM-RUZDIDTESA-N 1 1 416.569 4.475 20 10 HICDMO O=C(C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)Nc1ccc(Cl)cc1Cl ZINC000096970970 852565754 /nfs/dbraw/zinc/56/57/54/852565754.db2.gz ICJAMWUTFZCKQZ-MRXNPFEDSA-N 1 1 409.313 4.319 20 10 HICDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)Nc1ccc(Cl)cc1Cl ZINC000096970970 852565757 /nfs/dbraw/zinc/56/57/57/852565757.db2.gz ICJAMWUTFZCKQZ-MRXNPFEDSA-N 1 1 409.313 4.319 20 10 HICDMO CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000215607736 853833436 /nfs/dbraw/zinc/83/34/36/853833436.db2.gz YUWAKPKWQZPTPO-HXUWFJFHSA-N 1 1 414.619 4.306 20 10 HICDMO COc1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)cc1C ZINC000237431618 854032263 /nfs/dbraw/zinc/03/22/63/854032263.db2.gz RLORIEQZAHCJOA-UHFFFAOYSA-N 1 1 407.480 4.064 20 10 HICDMO Cc1cc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)c(C)n1-c1ccccn1 ZINC000302996073 854715317 /nfs/dbraw/zinc/71/53/17/854715317.db2.gz GPKQFVSMHLYFFL-UHFFFAOYSA-N 1 1 406.555 4.290 20 10 HICDMO O=C(C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)N(Cc1ccco1)c1ccccc1 ZINC000303518976 855006135 /nfs/dbraw/zinc/00/61/35/855006135.db2.gz YOKBDBZUEHAEJX-JOCHJYFZSA-N 1 1 420.509 4.200 20 10 HICDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)N(Cc1ccco1)c1ccccc1 ZINC000303518976 855006147 /nfs/dbraw/zinc/00/61/47/855006147.db2.gz YOKBDBZUEHAEJX-JOCHJYFZSA-N 1 1 420.509 4.200 20 10 HICDMO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c(C)n1-c1ccccc1Br ZINC000303961418 855323185 /nfs/dbraw/zinc/32/31/85/855323185.db2.gz WSNCSTUOVCRUSV-IFXJQAMLSA-N 1 1 418.379 4.269 20 10 HICDMO COCCC1(CNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CCCC1 ZINC000435821875 861086504 /nfs/dbraw/zinc/08/65/04/861086504.db2.gz JKBONZDCOUIGIX-UHFFFAOYSA-N 1 1 411.590 4.121 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cc(F)c(F)cc2F)C1 ZINC000435857914 861117965 /nfs/dbraw/zinc/11/79/65/861117965.db2.gz ZAHMFHWWOQRZLP-UHFFFAOYSA-N 1 1 401.432 4.464 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)[C@H]2COc3ccccc32)C1 ZINC000435913426 861176020 /nfs/dbraw/zinc/17/60/20/861176020.db2.gz AUPAVEYBEPSCRY-XMSQKQJNSA-N 1 1 417.553 4.089 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCCc2cc3ccccc3[nH]2)C1 ZINC000435920560 861180417 /nfs/dbraw/zinc/18/04/17/861180417.db2.gz LGQBMIPJECIQFN-UHFFFAOYSA-N 1 1 414.553 4.248 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2cccc3cc[nH]c32)C1 ZINC000444291697 868720279 /nfs/dbraw/zinc/72/02/79/868720279.db2.gz UBOKTKHFQIKKLI-UHFFFAOYSA-N 1 1 400.526 4.206 20 10 HICDMO Cc1[nH]nc(C(F)F)c1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000444351646 868779872 /nfs/dbraw/zinc/77/98/72/868779872.db2.gz KVBGSMKXSAOCID-UHFFFAOYSA-N 1 1 401.461 4.016 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCC2CCC(F)(F)CC2)C1 ZINC000501192896 910355821 /nfs/dbraw/zinc/35/58/21/910355821.db2.gz DNKDILPFRBYNDC-UHFFFAOYSA-N 1 1 403.517 4.350 20 10 HICDMO CC(C)n1cc([C@@H](C)NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)cn1 ZINC000570029406 947077294 /nfs/dbraw/zinc/07/72/94/947077294.db2.gz DCMYGYDIAHUCKK-GOSISDBHSA-N 1 1 407.562 4.063 20 10 HICDMO COc1ccc(N2CCC[N@H+](Cc3cc(Br)ccc3OC)CC2)cc1 ZINC000108095804 852822042 /nfs/dbraw/zinc/82/20/42/852822042.db2.gz YOQDJGJDJVLQEA-UHFFFAOYSA-N 1 1 405.336 4.179 20 10 HICDMO COc1ccc(N2CCC[N@@H+](Cc3cc(Br)ccc3OC)CC2)cc1 ZINC000108095804 852822045 /nfs/dbraw/zinc/82/20/45/852822045.db2.gz YOQDJGJDJVLQEA-UHFFFAOYSA-N 1 1 405.336 4.179 20 10 HICDMO CCc1ccc([C@@H]([NH2+]Cc2ccc3c(c2)CCO3)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237098669 853964255 /nfs/dbraw/zinc/96/42/55/853964255.db2.gz YIEUYHDHFDPZPV-RUZDIDTESA-N 1 1 421.562 4.467 20 10 HICDMO C[N@H+](CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)Cc1ccccc1O ZINC000303338952 854880925 /nfs/dbraw/zinc/88/09/25/854880925.db2.gz DZRWUOQBXLGVTA-HXUWFJFHSA-N 1 1 423.900 4.448 20 10 HICDMO C[N@@H+](CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)Cc1ccccc1O ZINC000303338952 854880926 /nfs/dbraw/zinc/88/09/26/854880926.db2.gz DZRWUOQBXLGVTA-HXUWFJFHSA-N 1 1 423.900 4.448 20 10 HICDMO C[N@H+](CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)Cc1ccccc1O ZINC000303402207 854909958 /nfs/dbraw/zinc/90/99/58/854909958.db2.gz RVKZWQASFDUEPY-KRWDZBQOSA-N 1 1 411.552 4.325 20 10 HICDMO C[N@@H+](CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)Cc1ccccc1O ZINC000303402207 854909967 /nfs/dbraw/zinc/90/99/67/854909967.db2.gz RVKZWQASFDUEPY-KRWDZBQOSA-N 1 1 411.552 4.325 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)C1 ZINC000435552607 860868373 /nfs/dbraw/zinc/86/83/73/860868373.db2.gz UONHTQLJUKFZRS-KRWDZBQOSA-N 1 1 419.525 4.014 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H]2c2cccnc2)C1 ZINC000435664725 860943292 /nfs/dbraw/zinc/94/32/92/860943292.db2.gz NNWCOQSTZNDCMR-JOCHJYFZSA-N 1 1 402.542 4.167 20 10 HICDMO CCCO[C@H]1CCCN(C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CC1 ZINC000435863308 861121967 /nfs/dbraw/zinc/12/19/67/861121967.db2.gz VUGJPXBCTUXPSJ-FQEVSTJZSA-N 1 1 411.590 4.216 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](Nc3ccccc3)C2)C1 ZINC000444093429 868612972 /nfs/dbraw/zinc/61/29/72/868612972.db2.gz IWVYEUWDDVGLLU-NRFANRHFSA-N 1 1 416.569 4.121 20 10 HICDMO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000471986187 886813035 /nfs/dbraw/zinc/81/30/35/886813035.db2.gz WECSVIAEGZLMBJ-VGSWGCGISA-N 1 1 410.587 4.431 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC(C)(C)[C@H]2c2ccncc2)C1 ZINC000476709400 891670446 /nfs/dbraw/zinc/67/04/46/891670446.db2.gz OOUDXVBXTIFMCO-RUZDIDTESA-N 1 1 416.569 4.413 20 10 HICDMO COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](C)[N@H+]3CCc4ccccc4C3)ccc21 ZINC000482542372 898129958 /nfs/dbraw/zinc/12/99/58/898129958.db2.gz GOHLDIWOTOLJTE-GOSISDBHSA-N 1 1 419.569 4.081 20 10 HICDMO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000553797813 941971411 /nfs/dbraw/zinc/97/14/11/941971411.db2.gz PKFCGCTXPUZMDW-HYBUGGRVSA-N 1 1 404.558 4.369 20 10 HICDMO Cc1cccc([C@@H]2CCCN2C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)n1 ZINC000572466633 947913324 /nfs/dbraw/zinc/91/33/24/947913324.db2.gz LDBDANVKBMKIHM-VWLOTQADSA-N 1 1 416.569 4.475 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](CC(F)(F)F)C2)C1 ZINC000435987528 861262490 /nfs/dbraw/zinc/26/24/90/861262490.db2.gz YGPWNJQEFMJRTR-MRXNPFEDSA-N 1 1 407.480 4.209 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCc3cc(F)ccc3C2)C1 ZINC000436018020 861309704 /nfs/dbraw/zinc/30/97/04/861309704.db2.gz BKGRBOJWHXMMHM-UHFFFAOYSA-N 1 1 405.517 4.132 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](c2cccnc2)C2CC2)C1 ZINC000436022755 861316988 /nfs/dbraw/zinc/31/69/88/861316988.db2.gz MYEDULSPHOTWLO-RUZDIDTESA-N 1 1 402.542 4.070 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000436044613 861334139 /nfs/dbraw/zinc/33/41/39/861334139.db2.gz MWYWSMZVTIOSCU-FDDCHVKYSA-N 1 1 411.590 4.118 20 10 HICDMO CC[N@@H+]1CCc2nc(NC(=O)c3cc(C)n(-c4ccc(OC)cc4)c3C)sc2C1 ZINC000096943096 852560288 /nfs/dbraw/zinc/56/02/88/852560288.db2.gz UGGVFFDSSSEJJM-UHFFFAOYSA-N 1 1 410.543 4.190 20 10 HICDMO CC[N@H+]1CCc2nc(NC(=O)c3cc(C)n(-c4ccc(OC)cc4)c3C)sc2C1 ZINC000096943096 852560293 /nfs/dbraw/zinc/56/02/93/852560293.db2.gz UGGVFFDSSSEJJM-UHFFFAOYSA-N 1 1 410.543 4.190 20 10 HICDMO O=C(C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)Nc1ccc(N2CCCCC2)cc1 ZINC000096970960 852565559 /nfs/dbraw/zinc/56/55/59/852565559.db2.gz UAZGQLIYQFWKEL-HSZRJFAPSA-N 1 1 423.557 4.002 20 10 HICDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)Nc1ccc(N2CCCCC2)cc1 ZINC000096970960 852565565 /nfs/dbraw/zinc/56/55/65/852565565.db2.gz UAZGQLIYQFWKEL-HSZRJFAPSA-N 1 1 423.557 4.002 20 10 HICDMO COc1ccc(N2CCC[N@H+]([C@H](C)c3nc(-c4ccc(C)c(F)c4)no3)CC2)cc1 ZINC000108088769 852821903 /nfs/dbraw/zinc/82/19/03/852821903.db2.gz NXZBSUFUTDCLLW-QGZVFWFLSA-N 1 1 410.493 4.466 20 10 HICDMO Oc1ccccc1C[N@@H+](Cc1csc(-c2ccc3c(c2)OCO3)n1)C[C@@H]1CCCO1 ZINC000112598772 853233912 /nfs/dbraw/zinc/23/39/12/853233912.db2.gz RQCUZDBFKQIPOZ-IBGZPJMESA-N 1 1 424.522 4.426 20 10 HICDMO Oc1ccccc1C[N@H+](Cc1csc(-c2ccc3c(c2)OCO3)n1)C[C@@H]1CCCO1 ZINC000112598772 853233923 /nfs/dbraw/zinc/23/39/23/853233923.db2.gz RQCUZDBFKQIPOZ-IBGZPJMESA-N 1 1 424.522 4.426 20 10 HICDMO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000217139002 853860549 /nfs/dbraw/zinc/86/05/49/853860549.db2.gz JPBDGRFZNUBGOW-RXVVDRJESA-N 1 1 422.525 4.339 20 10 HICDMO COc1ccc(N2CC[NH+](CCCNCc3nc(-c4ccccc4)cs3)CC2)cc1 ZINC000237275916 853996290 /nfs/dbraw/zinc/99/62/90/853996290.db2.gz BUZRBRGFPXDFNW-UHFFFAOYSA-N 1 1 422.598 4.121 20 10 HICDMO Cc1cc(C)c(NC(=O)C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c(Cl)c1 ZINC000302834008 854648215 /nfs/dbraw/zinc/64/82/15/854648215.db2.gz RHRFSDDFXZOVJO-GOSISDBHSA-N 1 1 402.922 4.282 20 10 HICDMO Cc1cc(C)c(NC(=O)C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)c(Cl)c1 ZINC000302834008 854648219 /nfs/dbraw/zinc/64/82/19/854648219.db2.gz RHRFSDDFXZOVJO-GOSISDBHSA-N 1 1 402.922 4.282 20 10 HICDMO CCOC(=O)CC[N@@H+](Cc1cccnc1)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000303044719 854737346 /nfs/dbraw/zinc/73/73/46/854737346.db2.gz TYEGWGOHCNJVCF-UHFFFAOYSA-N 1 1 408.498 4.368 20 10 HICDMO Cc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(C)n1-c1ccccn1 ZINC000303478766 854974016 /nfs/dbraw/zinc/97/40/16/854974016.db2.gz JYONGKXTEIJHAO-NOTZXAQLSA-N 1 1 414.553 4.415 20 10 HICDMO CC(C)[C@@H](CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)c1cccnc1 ZINC000435808437 861075215 /nfs/dbraw/zinc/07/52/15/861075215.db2.gz MBGCWRXTYDMOPC-JOCHJYFZSA-N 1 1 418.585 4.359 20 10 HICDMO Cc1ccc(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)c(C[NH+](C)C)c1 ZINC000435854743 861114385 /nfs/dbraw/zinc/11/43/85/861114385.db2.gz HQOFQFNWOWVJPQ-UHFFFAOYSA-N 1 1 418.585 4.417 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)[C@@H]2COc3ccccc32)C1 ZINC000435913421 861176195 /nfs/dbraw/zinc/17/61/95/861176195.db2.gz AUPAVEYBEPSCRY-GCJKJVERSA-N 1 1 417.553 4.089 20 10 HICDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(C[NH+](C)C)cc2)C1 ZINC000443913182 868448583 /nfs/dbraw/zinc/44/85/83/868448583.db2.gz LGEGDCUFIFESFY-UHFFFAOYSA-N 1 1 404.558 4.108 20 10 HICDMO Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000444328987 868756237 /nfs/dbraw/zinc/75/62/37/868756237.db2.gz UVGLILWZRUVJIR-HSZRJFAPSA-N 1 1 419.573 4.111 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)c2ccc(Cl)cn2)C1 ZINC000507178130 915922201 /nfs/dbraw/zinc/92/22/01/915922201.db2.gz KPTQHJGPQNCMOS-MRXNPFEDSA-N 1 1 410.949 4.334 20 10 HICDMO COc1ccc(Cc2noc(Cn3c4ccccc4c4c3CC[N@@H+](C(C)C)C4)n2)cc1 ZINC000517432221 924180268 /nfs/dbraw/zinc/18/02/68/924180268.db2.gz NDWZSHKRJDQFEZ-UHFFFAOYSA-N 1 1 416.525 4.439 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3ccc4nc[nH]c4c3)no2)C1 ZINC000554807807 942251183 /nfs/dbraw/zinc/25/11/83/942251183.db2.gz RYENENDYDRDDDV-UHFFFAOYSA-N 1 1 412.497 4.382 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3ccc4c(c3)CCO4)no2)C1 ZINC000575112137 948598063 /nfs/dbraw/zinc/59/80/63/948598063.db2.gz CUJCWLKWXINWMQ-UHFFFAOYSA-N 1 1 414.509 4.441 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)C1 ZINC000436044616 861335097 /nfs/dbraw/zinc/33/50/97/861335097.db2.gz MWYWSMZVTIOSCU-WZONZLPQSA-N 1 1 411.590 4.118 20 10 HICDMO COc1ccc(N2CCC[N@@H+](CCCc3nc(-c4ccc(C)c(F)c4)no3)CC2)cc1 ZINC000097494632 852619463 /nfs/dbraw/zinc/61/94/63/852619463.db2.gz YIFUVMSAIDIXTF-UHFFFAOYSA-N 1 1 424.520 4.338 20 10 HICDMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)c(C)n1-c1cccc(Br)c1 ZINC000109986171 853041685 /nfs/dbraw/zinc/04/16/85/853041685.db2.gz DNAZVROSNMAQMU-KRWDZBQOSA-N 1 1 418.379 4.317 20 10 HICDMO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@H](CNC(=O)OC(C)(C)C)C3)c2c1 ZINC000139963202 853427801 /nfs/dbraw/zinc/42/78/01/853427801.db2.gz JLMYQFBFACETGU-MRXNPFEDSA-N 1 1 400.519 4.291 20 10 HICDMO COc1ccccc1CNC(=O)C[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000216477268 853854540 /nfs/dbraw/zinc/85/45/40/853854540.db2.gz YZFBOPAQBDWEIO-IBGZPJMESA-N 1 1 404.510 4.280 20 10 HICDMO CCN(CC)c1ccc(C[NH2+]Cc2ccccc2S(=O)(=O)NC(C)(C)C)cc1F ZINC000236929409 853939248 /nfs/dbraw/zinc/93/92/48/853939248.db2.gz XXMPMCNABZHCCC-UHFFFAOYSA-N 1 1 421.582 4.039 20 10 HICDMO CC(C)[C@H](NC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000303379539 854899727 /nfs/dbraw/zinc/89/97/27/854899727.db2.gz NLOZMGCESOOTQA-QPPBQGQZSA-N 1 1 414.521 4.026 20 10 HICDMO CC(C)[C@H](NC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000303379539 854899733 /nfs/dbraw/zinc/89/97/33/854899733.db2.gz NLOZMGCESOOTQA-QPPBQGQZSA-N 1 1 414.521 4.026 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2nc(-c3ccc[nH]3)cs2)C1 ZINC000435634370 860929318 /nfs/dbraw/zinc/92/93/18/860929318.db2.gz BJTXHKUSKRYRCD-UHFFFAOYSA-N 1 1 419.554 4.498 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@@H](c3ccccc3)C2)C1 ZINC000443906525 868442371 /nfs/dbraw/zinc/44/23/71/868442371.db2.gz HQARIPIDALFDJG-RUZDIDTESA-N 1 1 417.553 4.008 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000443909228 868445799 /nfs/dbraw/zinc/44/57/99/868445799.db2.gz QOIWQYSXPBZGOW-UHFFFAOYSA-N 1 1 414.553 4.248 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H]2c2cccn2C)C1 ZINC000443918955 868455431 /nfs/dbraw/zinc/45/54/31/868455431.db2.gz WWHHIWAWCLGXGS-DEOSSOPVSA-N 1 1 404.558 4.110 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](Nc3ccccc3)C2)C1 ZINC000444093432 868612442 /nfs/dbraw/zinc/61/24/42/868612442.db2.gz IWVYEUWDDVGLLU-OAQYLSRUSA-N 1 1 416.569 4.121 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCCc3c(O)cccc32)C1 ZINC000444411857 868816107 /nfs/dbraw/zinc/81/61/07/868816107.db2.gz IFDDNLZIYKBYBU-QFIPXVFZSA-N 1 1 417.553 4.307 20 10 HICDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000471998523 886824132 /nfs/dbraw/zinc/82/41/32/886824132.db2.gz LXNSDBJYCMSPME-GCJKJVERSA-N 1 1 404.558 4.197 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCCC(F)(F)C2)C1 ZINC000499578301 908846188 /nfs/dbraw/zinc/84/61/88/908846188.db2.gz ZHWQUZFGRUEXIF-KRWDZBQOSA-N 1 1 403.517 4.350 20 10 HICDMO COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](C)[N@@H+](C)Cc3ccccc3)ccc21 ZINC000517657879 926765463 /nfs/dbraw/zinc/76/54/63/926765463.db2.gz XEQUPGGXVNSKHE-GOSISDBHSA-N 1 1 407.558 4.155 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000435987523 861263166 /nfs/dbraw/zinc/26/31/66/861263166.db2.gz YGPWNJQEFMJRTR-INIZCTEOSA-N 1 1 407.480 4.209 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cnn([C@H](C)C3CC3)c2)C1 ZINC000435993321 861272600 /nfs/dbraw/zinc/27/26/00/861272600.db2.gz GBSZFXUSIJGBHD-QGZVFWFLSA-N 1 1 405.546 4.214 20 10 HICDMO CC(C)C[C@H]1C[C@H](NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CCO1 ZINC000436036454 861328368 /nfs/dbraw/zinc/32/83/68/861328368.db2.gz XPGGMDDSYZOBER-UXHICEINSA-N 1 1 411.590 4.118 20 10 HICDMO CCC[C@@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000015571931 846065340 /nfs/dbraw/zinc/06/53/40/846065340.db2.gz WKKDVQJXFZJUGK-GBXCKJPGSA-N 1 1 409.574 4.001 20 10 HICDMO Oc1ccccc1C[N@@H+](Cc1csc(-c2ccc3c(c2)OCO3)n1)C[C@H]1CCCO1 ZINC000112598774 853233165 /nfs/dbraw/zinc/23/31/65/853233165.db2.gz RQCUZDBFKQIPOZ-LJQANCHMSA-N 1 1 424.522 4.426 20 10 HICDMO Oc1ccccc1C[N@H+](Cc1csc(-c2ccc3c(c2)OCO3)n1)C[C@H]1CCCO1 ZINC000112598774 853233175 /nfs/dbraw/zinc/23/31/75/853233175.db2.gz RQCUZDBFKQIPOZ-LJQANCHMSA-N 1 1 424.522 4.426 20 10 HICDMO O=C(C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)Nc1ccc(SC(F)F)cc1 ZINC000302834599 854648101 /nfs/dbraw/zinc/64/81/01/854648101.db2.gz VSECOUYCQBFWLU-QGZVFWFLSA-N 1 1 422.497 4.327 20 10 HICDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)Nc1ccc(SC(F)F)cc1 ZINC000302834599 854648105 /nfs/dbraw/zinc/64/81/05/854648105.db2.gz VSECOUYCQBFWLU-QGZVFWFLSA-N 1 1 422.497 4.327 20 10 HICDMO Cc1cc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c(C)n1-c1ccccc1Br ZINC000303416070 854917550 /nfs/dbraw/zinc/91/75/50/854917550.db2.gz WNVZYLRKNNSQKE-MRXNPFEDSA-N 1 1 416.363 4.071 20 10 HICDMO O=C(NCc1ccco1)c1cccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000303459856 854960022 /nfs/dbraw/zinc/96/00/22/854960022.db2.gz LCEVCMLYQGOTEU-QHCPKHFHSA-N 1 1 420.509 4.096 20 10 HICDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)[C@H](C)C1 ZINC000303677954 855126557 /nfs/dbraw/zinc/12/65/57/855126557.db2.gz JJKBMEUDDLLHPH-UZUQRXQVSA-N 1 1 415.553 4.100 20 10 HICDMO CC(C)(C)OC(=O)NCc1ccc(C[NH2+]Cc2cccc(Br)c2O)cc1 ZINC000311295924 855368946 /nfs/dbraw/zinc/36/89/46/855368946.db2.gz BUQNGWLDGUWUSK-UHFFFAOYSA-N 1 1 421.335 4.469 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(OCCF)c2)C1 ZINC000435818359 861084294 /nfs/dbraw/zinc/08/42/94/861084294.db2.gz RVYPCTRXGATXFQ-UHFFFAOYSA-N 1 1 409.505 4.395 20 10 HICDMO COc1c(F)cc(F)cc1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435822585 861087262 /nfs/dbraw/zinc/08/72/62/861087262.db2.gz RIVYQKFBPRWPTO-UHFFFAOYSA-N 1 1 413.468 4.333 20 10 HICDMO CCN(C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)[C@H](C)c1cccnc1 ZINC000435854742 861115318 /nfs/dbraw/zinc/11/53/18/861115318.db2.gz HQDSBJDSRSKNDV-LJQANCHMSA-N 1 1 404.558 4.413 20 10 HICDMO Cc1ccc(C[NH+](C)C)cc1NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000444245634 868693740 /nfs/dbraw/zinc/69/37/40/868693740.db2.gz KGZZAFGLRSSHIT-UHFFFAOYSA-N 1 1 418.585 4.417 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCCc3c(O)cccc32)C1 ZINC000444411854 868815993 /nfs/dbraw/zinc/81/59/93/868815993.db2.gz IFDDNLZIYKBYBU-JOCHJYFZSA-N 1 1 417.553 4.307 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)C1 ZINC000470632457 885057728 /nfs/dbraw/zinc/05/77/28/885057728.db2.gz BPNYZONVBZNQKH-MAUKXSAKSA-N 1 1 407.480 4.207 20 10 HICDMO Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000471283460 885865215 /nfs/dbraw/zinc/86/52/15/885865215.db2.gz PWVFYHHBNNKNAU-GOSISDBHSA-N 1 1 406.530 4.202 20 10 HICDMO COCCn1c(C)c(C)c2cc(C(=O)NCCC[N@@H+](C)Cc3ccccc3)ccc21 ZINC000481951686 897339383 /nfs/dbraw/zinc/33/93/83/897339383.db2.gz JRPXQMZTMSIYHH-UHFFFAOYSA-N 1 1 407.558 4.156 20 10 HICDMO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)ccc21 ZINC000510790354 919257643 /nfs/dbraw/zinc/25/76/43/919257643.db2.gz AJVWMZSJVSICEW-GHTZIAJQSA-N 1 1 411.590 4.287 20 10 HICDMO COc1ccc(N(C)C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)cc1OC ZINC000521755514 929417255 /nfs/dbraw/zinc/41/72/55/929417255.db2.gz MFJWZGKDMOOSLI-UHFFFAOYSA-N 1 1 421.541 4.088 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H]2c2ccccn2)C1 ZINC000566076797 945999569 /nfs/dbraw/zinc/99/95/69/945999569.db2.gz VRKDVKKIBASPPG-XMMPIXPASA-N 1 1 402.542 4.167 20 10 HICDMO Cc1cc(C(=O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c(C)n1CC(F)(F)F ZINC000096967552 852564748 /nfs/dbraw/zinc/56/47/48/852564748.db2.gz RHXTZKAUBHNVLC-SFHVURJKSA-N 1 1 424.463 4.237 20 10 HICDMO Cc1cc(C(=O)C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c(C)n1CC(F)(F)F ZINC000096967552 852564752 /nfs/dbraw/zinc/56/47/52/852564752.db2.gz RHXTZKAUBHNVLC-SFHVURJKSA-N 1 1 424.463 4.237 20 10 HICDMO COc1cccc(CNC(=O)C[N@@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)c1 ZINC000216482357 853854622 /nfs/dbraw/zinc/85/46/22/853854622.db2.gz DFLORMMDLXLHFO-LJQANCHMSA-N 1 1 404.510 4.280 20 10 HICDMO C[C@H](c1ccccc1)[N@@H+](CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccccc1O ZINC000216487043 853854632 /nfs/dbraw/zinc/85/46/32/853854632.db2.gz WLKMVIXHVXJPIK-GOSISDBHSA-N 1 1 418.493 4.001 20 10 HICDMO O=C(C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Nc1c(Cl)cccc1Cl ZINC000302832830 854648143 /nfs/dbraw/zinc/64/81/43/854648143.db2.gz KEQJJVYQAZYOSJ-HNNXBMFYSA-N 1 1 409.313 4.319 20 10 HICDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Nc1c(Cl)cccc1Cl ZINC000302832830 854648148 /nfs/dbraw/zinc/64/81/48/854648148.db2.gz KEQJJVYQAZYOSJ-HNNXBMFYSA-N 1 1 409.313 4.319 20 10 HICDMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c(C)n1-c1ccccc1Br ZINC000303416069 854917646 /nfs/dbraw/zinc/91/76/46/854917646.db2.gz WNVZYLRKNNSQKE-INIZCTEOSA-N 1 1 416.363 4.071 20 10 HICDMO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000303924337 855294408 /nfs/dbraw/zinc/29/44/08/855294408.db2.gz WGDXFXLGPKJPKP-FQEVSTJZSA-N 1 1 402.542 4.226 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)c2ccc3c(c2)OCO3)C1 ZINC000435552608 860868583 /nfs/dbraw/zinc/86/85/83/860868583.db2.gz UONHTQLJUKFZRS-QGZVFWFLSA-N 1 1 419.525 4.014 20 10 HICDMO CCOCc1ccccc1CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435605476 860908668 /nfs/dbraw/zinc/90/86/68/860908668.db2.gz FBVGNMNHPJXODT-UHFFFAOYSA-N 1 1 419.569 4.261 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccnn2[C@@H](C)C2CC2)C1 ZINC000435662122 860942180 /nfs/dbraw/zinc/94/21/80/860942180.db2.gz CCQHPLSHJYMIAW-KRWDZBQOSA-N 1 1 405.546 4.214 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC(c3ccncc3)CC2)C1 ZINC000444278102 868711771 /nfs/dbraw/zinc/71/17/71/868711771.db2.gz AMDRYFWKOOTQCN-UHFFFAOYSA-N 1 1 416.569 4.209 20 10 HICDMO COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)ccc21 ZINC000510790367 919257021 /nfs/dbraw/zinc/25/70/21/919257021.db2.gz AJVWMZSJVSICEW-NQIIRXRSSA-N 1 1 411.590 4.287 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H](C)C[C@H]2c2cccnc2)C1 ZINC000436033102 861324779 /nfs/dbraw/zinc/32/47/79/861324779.db2.gz JYVGKNKCDZRJHP-DFBJGRDBSA-N 1 1 416.569 4.413 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)C1 ZINC000436044615 861334778 /nfs/dbraw/zinc/33/47/78/861334778.db2.gz MWYWSMZVTIOSCU-MBSDFSHPSA-N 1 1 411.590 4.118 20 10 HICDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)cc1C ZINC000072001586 852459009 /nfs/dbraw/zinc/45/90/09/852459009.db2.gz IAFUBMUMZSIEQF-HNNXBMFYSA-N 1 1 418.335 4.017 20 10 HICDMO O=C(C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccc(C(F)(F)F)cc1 ZINC000096970967 852565325 /nfs/dbraw/zinc/56/53/25/852565325.db2.gz RPXXCTPZDXPFKX-SFHVURJKSA-N 1 1 408.420 4.031 20 10 HICDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccc(C(F)(F)F)cc1 ZINC000096970967 852565339 /nfs/dbraw/zinc/56/53/39/852565339.db2.gz RPXXCTPZDXPFKX-SFHVURJKSA-N 1 1 408.420 4.031 20 10 HICDMO O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000139887167 853424771 /nfs/dbraw/zinc/42/47/71/853424771.db2.gz DMTUYNRIKLXSLH-UHFFFAOYSA-N 1 1 410.587 4.157 20 10 HICDMO CN(Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000237180415 853976797 /nfs/dbraw/zinc/97/67/97/853976797.db2.gz XURASSWAXAECSB-UHFFFAOYSA-N 1 1 405.542 4.038 20 10 HICDMO Cn1c2ccccc2nc1[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000237743769 854087882 /nfs/dbraw/zinc/08/78/82/854087882.db2.gz WOLQZWIGXCVOAL-VWLOTQADSA-N 1 1 412.537 4.289 20 10 HICDMO O=C(C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccccc1SC(F)F ZINC000302831944 854648326 /nfs/dbraw/zinc/64/83/26/854648326.db2.gz DJUHJYOBRFLKCM-INIZCTEOSA-N 1 1 422.497 4.327 20 10 HICDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccccc1SC(F)F ZINC000302831944 854648331 /nfs/dbraw/zinc/64/83/31/854648331.db2.gz DJUHJYOBRFLKCM-INIZCTEOSA-N 1 1 422.497 4.327 20 10 HICDMO CC(C)(C)OC(=O)N1CCC(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000303326983 854873662 /nfs/dbraw/zinc/87/36/62/854873662.db2.gz BWMMNYWLEHADFB-HXUWFJFHSA-N 1 1 404.551 4.020 20 10 HICDMO C[N@H+](CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)Cc1ccccc1O ZINC000303338951 854880823 /nfs/dbraw/zinc/88/08/23/854880823.db2.gz DZRWUOQBXLGVTA-FQEVSTJZSA-N 1 1 423.900 4.448 20 10 HICDMO C[N@@H+](CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)Cc1ccccc1O ZINC000303338951 854880825 /nfs/dbraw/zinc/88/08/25/854880825.db2.gz DZRWUOQBXLGVTA-FQEVSTJZSA-N 1 1 423.900 4.448 20 10 HICDMO O=C(C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)N(Cc1ccco1)c1ccccc1 ZINC000303518977 855006687 /nfs/dbraw/zinc/00/66/87/855006687.db2.gz YOKBDBZUEHAEJX-QFIPXVFZSA-N 1 1 420.509 4.200 20 10 HICDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)N(Cc1ccco1)c1ccccc1 ZINC000303518977 855006694 /nfs/dbraw/zinc/00/66/94/855006694.db2.gz YOKBDBZUEHAEJX-QFIPXVFZSA-N 1 1 420.509 4.200 20 10 HICDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)[C@H](C)C1 ZINC000303740006 855165169 /nfs/dbraw/zinc/16/51/69/855165169.db2.gz YECVEGNFUYBREP-DVECYGJZSA-N 1 1 411.590 4.269 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000435539453 860853246 /nfs/dbraw/zinc/85/32/46/860853246.db2.gz HVBNEXJHZXWJKS-UHFFFAOYSA-N 1 1 413.525 4.437 20 10 HICDMO CC(=O)Nc1ccc(C)c(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)c1 ZINC000435543609 860856931 /nfs/dbraw/zinc/85/69/31/860856931.db2.gz MDGMBKRQASCVRA-UHFFFAOYSA-N 1 1 418.541 4.313 20 10 HICDMO COc1cc(C)c(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)cc1OC ZINC000435612960 860917382 /nfs/dbraw/zinc/91/73/82/860917382.db2.gz IIFWAKYLXWSRDX-UHFFFAOYSA-N 1 1 421.541 4.372 20 10 HICDMO COc1ccc(OC)c(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)c1 ZINC000435639357 860930096 /nfs/dbraw/zinc/93/00/96/860930096.db2.gz VWXDZRLTDFFXIX-UHFFFAOYSA-N 1 1 407.514 4.064 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2nc3c(s2)C(=O)CCC3)C1 ZINC000435714087 860996975 /nfs/dbraw/zinc/99/69/75/860996975.db2.gz INEHEMVSGGWVKZ-UHFFFAOYSA-N 1 1 422.554 4.022 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCOC[C@H]2c2ccccc2)C1 ZINC000435815784 861080667 /nfs/dbraw/zinc/08/06/67/861080667.db2.gz AOBSHCGZIHLTHH-VWLOTQADSA-N 1 1 417.553 4.008 20 10 HICDMO CCCO[C@@H]1CCCN(C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CC1 ZINC000435863309 861122800 /nfs/dbraw/zinc/12/28/00/861122800.db2.gz VUGJPXBCTUXPSJ-HXUWFJFHSA-N 1 1 411.590 4.216 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCOc3ccc(F)cc32)C1 ZINC000435863300 861123111 /nfs/dbraw/zinc/12/31/11/861123111.db2.gz VSEINBIGGQYIJD-OAQYLSRUSA-N 1 1 421.516 4.187 20 10 HICDMO Cc1nn(C)c2cc(NC(=O)Cn3c4ccccc4c4c3CC[N@H+](C(C)C)C4)ccc12 ZINC000462376231 875487851 /nfs/dbraw/zinc/48/78/51/875487851.db2.gz ITBYNBKWWQSXOQ-UHFFFAOYSA-N 1 1 415.541 4.242 20 10 HICDMO Cc1ncc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)c(C2CC2)n1 ZINC000466431049 880207176 /nfs/dbraw/zinc/20/71/76/880207176.db2.gz MYXHXQVLNCSEQG-UHFFFAOYSA-N 1 1 403.530 4.022 20 10 HICDMO COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)ccc21 ZINC000481996606 897393985 /nfs/dbraw/zinc/39/39/85/897393985.db2.gz FDZNXUOSMQNBPQ-HSZRJFAPSA-N 1 1 423.557 4.455 20 10 HICDMO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC[N@H+]([C@H](C)c4ccccc4)C3)ccc21 ZINC000483467215 899108282 /nfs/dbraw/zinc/10/82/82/899108282.db2.gz HRBRIQQOISDTGG-OFNKIYASSA-N 1 1 419.569 4.470 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H]2c2ccccn2)C1 ZINC000566076796 946000337 /nfs/dbraw/zinc/00/03/37/946000337.db2.gz VRKDVKKIBASPPG-DEOSSOPVSA-N 1 1 402.542 4.167 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)C1 ZINC000436033104 861325333 /nfs/dbraw/zinc/32/53/33/861325333.db2.gz JYVGKNKCDZRJHP-UQBPGWFLSA-N 1 1 416.569 4.413 20 10 HICDMO CC(C)C[C@@H]1C[C@@H](NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CCO1 ZINC000436036455 861328877 /nfs/dbraw/zinc/32/88/77/861328877.db2.gz XPGGMDDSYZOBER-VQTJNVASSA-N 1 1 411.590 4.118 20 10 HICDMO C[C@H]([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)c1ccc(N2CCOCC2)cc1 ZINC000237499933 854046327 /nfs/dbraw/zinc/04/63/27/854046327.db2.gz KUBTVAXSCOLIQE-INIZCTEOSA-N 1 1 423.538 4.226 20 10 HICDMO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(N2CCOCC2)cc1 ZINC000237510640 854047699 /nfs/dbraw/zinc/04/76/99/854047699.db2.gz XQKBOOMFMSYNSP-MRXNPFEDSA-N 1 1 424.526 4.406 20 10 HICDMO CC(C)(C)n1ncc2c1ncnc2N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000301852448 854476590 /nfs/dbraw/zinc/47/65/90/854476590.db2.gz AVNBSPQGTYPUDI-INIZCTEOSA-N 1 1 414.941 4.017 20 10 HICDMO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@@H+](C)Cc2ccccc2O)c1 ZINC000303348636 854886412 /nfs/dbraw/zinc/88/64/12/854886412.db2.gz GVKAHNXRLKEHAX-UHFFFAOYSA-N 1 1 403.482 4.023 20 10 HICDMO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@H+](C)Cc2ccccc2O)c1 ZINC000303348636 854886418 /nfs/dbraw/zinc/88/64/18/854886418.db2.gz GVKAHNXRLKEHAX-UHFFFAOYSA-N 1 1 403.482 4.023 20 10 HICDMO CC(C)COC1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CC1 ZINC000435543050 860857115 /nfs/dbraw/zinc/85/71/15/860857115.db2.gz IPRFQRLXHRKUMS-UHFFFAOYSA-N 1 1 411.590 4.071 20 10 HICDMO CC(=O)Nc1cccc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)c1C ZINC000435607049 860909746 /nfs/dbraw/zinc/90/97/46/860909746.db2.gz KSZDJYAJDTVZQU-UHFFFAOYSA-N 1 1 418.541 4.313 20 10 HICDMO COc1cc(F)c(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)cc1F ZINC000435813716 861078101 /nfs/dbraw/zinc/07/81/01/861078101.db2.gz LXRJSWBTULYLAD-UHFFFAOYSA-N 1 1 413.468 4.333 20 10 HICDMO CC[NH+](CC)CCC[C@@H](C)NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000443986117 868510794 /nfs/dbraw/zinc/51/07/94/868510794.db2.gz ZIICSZAOHQKNCT-HXUWFJFHSA-N 1 1 412.622 4.035 20 10 HICDMO CCCCn1ncc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)c1C ZINC000444269540 868708093 /nfs/dbraw/zinc/70/80/93/868708093.db2.gz UOKWRZDXNZTULT-UHFFFAOYSA-N 1 1 407.562 4.352 20 10 HICDMO COCCNc1ccccc1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000444411302 868815869 /nfs/dbraw/zinc/81/58/69/868815869.db2.gz LWYDSOWSONRJIX-UHFFFAOYSA-N 1 1 420.557 4.105 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)C1 ZINC000470632463 885057166 /nfs/dbraw/zinc/05/71/66/885057166.db2.gz BPNYZONVBZNQKH-YJBOKZPZSA-N 1 1 407.480 4.207 20 10 HICDMO COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)ccc21 ZINC000475299210 890206349 /nfs/dbraw/zinc/20/63/49/890206349.db2.gz RRIHVZTXQXGRKN-HSZRJFAPSA-N 1 1 419.569 4.251 20 10 HICDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cn1c2ccccc2nc1SC(F)F ZINC000016878897 846219205 /nfs/dbraw/zinc/21/92/05/846219205.db2.gz IZJJNQFEAHPSEE-UHFFFAOYSA-N 1 1 418.513 4.277 20 10 HICDMO Cc1cccc(-n2ccn(C[N@@H+](C)Cc3ccc(N4CCOCC4)cc3)c2=S)c1 ZINC000016878848 846219397 /nfs/dbraw/zinc/21/93/97/846219397.db2.gz XKRYHTGDBDTOOW-UHFFFAOYSA-N 1 1 408.571 4.243 20 10 HICDMO Cc1cccc(-n2ccn(C[N@H+](C)Cc3ccc(N4CCOCC4)cc3)c2=S)c1 ZINC000016878848 846219405 /nfs/dbraw/zinc/21/94/05/846219405.db2.gz XKRYHTGDBDTOOW-UHFFFAOYSA-N 1 1 408.571 4.243 20 10 HICDMO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@H](C(=O)Nc4cccc(C)n4)C3)c2c1 ZINC000047252317 849014911 /nfs/dbraw/zinc/01/49/11/849014911.db2.gz PCWWNIWVMQXZMQ-SFHVURJKSA-N 1 1 405.498 4.108 20 10 HICDMO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c(C)n1-c1ccccn1 ZINC000108554558 852859511 /nfs/dbraw/zinc/85/95/11/852859511.db2.gz OPEBCPOUVMPZTM-UHFFFAOYSA-N 1 1 424.495 4.162 20 10 HICDMO CC[N@@H+](Cc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1)C(C)C ZINC000110164758 853067534 /nfs/dbraw/zinc/06/75/34/853067534.db2.gz UZPBEXMHAOSYDU-UHFFFAOYSA-N 1 1 411.615 4.400 20 10 HICDMO C[C@H](c1ccccc1)[N@@H+](Cc1cccc(S(=O)(=O)N(C)C)c1)Cc1ccccc1O ZINC000216483367 853854107 /nfs/dbraw/zinc/85/41/07/853854107.db2.gz YYHPDLKNAVXPJV-LJQANCHMSA-N 1 1 424.566 4.406 20 10 HICDMO COc1cccc(CNC(=O)C[N@@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)c1 ZINC000216482305 853854447 /nfs/dbraw/zinc/85/44/47/853854447.db2.gz DFLORMMDLXLHFO-IBGZPJMESA-N 1 1 404.510 4.280 20 10 HICDMO O=C(C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)Nc1ccccc1SC(F)F ZINC000302831945 854648616 /nfs/dbraw/zinc/64/86/16/854648616.db2.gz DJUHJYOBRFLKCM-MRXNPFEDSA-N 1 1 422.497 4.327 20 10 HICDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)Nc1ccccc1SC(F)F ZINC000302831945 854648617 /nfs/dbraw/zinc/64/86/17/854648617.db2.gz DJUHJYOBRFLKCM-MRXNPFEDSA-N 1 1 422.497 4.327 20 10 HICDMO COc1ccc(Cl)cc1NC(=O)CC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000303358167 854890780 /nfs/dbraw/zinc/89/07/80/854890780.db2.gz INODTFACLPKQPO-SFHVURJKSA-N 1 1 418.921 4.064 20 10 HICDMO O=C(NCc1ccco1)c1cccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000303459855 854960186 /nfs/dbraw/zinc/96/01/86/854960186.db2.gz LCEVCMLYQGOTEU-HSZRJFAPSA-N 1 1 420.509 4.096 20 10 HICDMO COCCOc1ccc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)cc1 ZINC000435564260 860885404 /nfs/dbraw/zinc/88/54/04/860885404.db2.gz OJDBDHAHHFEALM-UHFFFAOYSA-N 1 1 421.541 4.072 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC(C(F)(F)F)CC2)C1 ZINC000435811122 861076844 /nfs/dbraw/zinc/07/68/44/861076844.db2.gz VNJFACULKPUEKK-UHFFFAOYSA-N 1 1 407.480 4.209 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCOc3ccccc32)C1 ZINC000435875628 861134081 /nfs/dbraw/zinc/13/40/81/861134081.db2.gz DMLKXVVJYKFWJR-LJQANCHMSA-N 1 1 417.553 4.090 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)[C@H]2COc3ccccc32)C1 ZINC000435913424 861175729 /nfs/dbraw/zinc/17/57/29/861175729.db2.gz AUPAVEYBEPSCRY-PGRDOPGGSA-N 1 1 417.553 4.089 20 10 HICDMO Cc1nc2cc(NC(=O)Cn3c4ccccc4c4c3CC[N@H+](C(C)C)C4)ccc2o1 ZINC000443918753 868455170 /nfs/dbraw/zinc/45/51/70/868455170.db2.gz LOIZSDGROHZJPS-UHFFFAOYSA-N 1 1 402.498 4.496 20 10 HICDMO COCCn1c(C)c(C)c2cc(C(=O)N3CCC(Oc4cc[nH+]cc4C)CC3)ccc21 ZINC000470383593 884784549 /nfs/dbraw/zinc/78/45/49/884784549.db2.gz RPSDAQGACVUFOG-UHFFFAOYSA-N 1 1 421.541 4.292 20 10 HICDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000471998524 886824291 /nfs/dbraw/zinc/82/42/91/886824291.db2.gz LXNSDBJYCMSPME-PGRDOPGGSA-N 1 1 404.558 4.197 20 10 HICDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)c1 ZINC000486917966 901962756 /nfs/dbraw/zinc/96/27/56/901962756.db2.gz WIWTURGJMLQJSN-UHFFFAOYSA-N 1 1 407.558 4.286 20 10 HICDMO COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](C)[N@@H+](C)Cc3ccccc3)ccc21 ZINC000517657880 926765658 /nfs/dbraw/zinc/76/56/58/926765658.db2.gz XEQUPGGXVNSKHE-SFHVURJKSA-N 1 1 407.558 4.155 20 10 HICDMO Cc1ccc(C(C)(C)NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)cn1 ZINC000436033236 861325761 /nfs/dbraw/zinc/32/57/61/861325761.db2.gz PJIZCDBVYGCGFF-UHFFFAOYSA-N 1 1 404.558 4.163 20 10 HICDMO CCC[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000015571932 846065217 /nfs/dbraw/zinc/06/52/17/846065217.db2.gz WKKDVQJXFZJUGK-RDPSFJRHSA-N 1 1 409.574 4.001 20 10 HICDMO COC(=O)c1cc2ccccc2c(C[N@@H+](C)CC(=O)Nc2ccccc2Cl)c1O ZINC000016838705 846215858 /nfs/dbraw/zinc/21/58/58/846215858.db2.gz XKMORARKWHAUEV-UHFFFAOYSA-N 1 1 412.873 4.056 20 10 HICDMO CCC[N@@H+](CC(=O)N(C)Cc1ccc2cc(OC)ccc2c1)Cc1ccccc1O ZINC000110078766 853057646 /nfs/dbraw/zinc/05/76/46/853057646.db2.gz SVDBJPGVYWHNNU-UHFFFAOYSA-N 1 1 406.526 4.425 20 10 HICDMO CC[N@@H+](Cc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1)C(C)C ZINC000110168680 853068307 /nfs/dbraw/zinc/06/83/07/853068307.db2.gz XDUDOFATEWCNGY-UHFFFAOYSA-N 1 1 409.574 4.026 20 10 HICDMO COc1cc(C[NH+]2CCN(c3ccc(C(C)=O)cc3F)CC2)c(O)c(C(C)(C)C)c1 ZINC000216353470 853850225 /nfs/dbraw/zinc/85/02/25/853850225.db2.gz LIIKDVFPSZYYAG-UHFFFAOYSA-N 1 1 414.521 4.362 20 10 HICDMO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC000303205207 854816168 /nfs/dbraw/zinc/81/61/68/854816168.db2.gz PLVJISWIVIINDX-UHFFFAOYSA-N 1 1 412.537 4.314 20 10 HICDMO CCN(Cc1ccccc1)c1ccc(CNC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000303674324 855124443 /nfs/dbraw/zinc/12/44/43/855124443.db2.gz FDWVGCLLSAMCAK-DEOSSOPVSA-N 1 1 407.602 4.304 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000435649252 860934165 /nfs/dbraw/zinc/93/41/65/860934165.db2.gz YVOZAJCTZHDMPN-UHFFFAOYSA-N 1 1 401.432 4.464 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2cccc3cccnc32)C1 ZINC000435730581 861013736 /nfs/dbraw/zinc/01/37/36/861013736.db2.gz FTVXBORLBJYUCX-UHFFFAOYSA-N 1 1 412.537 4.272 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](c2cnn(C)c2)C(C)(C)C)C1 ZINC000435862663 861122107 /nfs/dbraw/zinc/12/21/07/861122107.db2.gz PENGDBWYWOSYPD-XMMPIXPASA-N 1 1 421.589 4.045 20 10 HICDMO CC[C@H](c1ccncc1)N(C)C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435872841 861133214 /nfs/dbraw/zinc/13/32/14/861133214.db2.gz RUXXMXKURVVAJW-JOCHJYFZSA-N 1 1 404.558 4.413 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)c2ccccc2N(C)C)C1 ZINC000435915700 861176724 /nfs/dbraw/zinc/17/67/24/861176724.db2.gz RNJZHFVFMKHZCE-UHFFFAOYSA-N 1 1 404.558 4.137 20 10 HICDMO CC[NH+](CC)CCC[C@H](C)NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000443986104 868510982 /nfs/dbraw/zinc/51/09/82/868510982.db2.gz ZIICSZAOHQKNCT-FQEVSTJZSA-N 1 1 412.622 4.035 20 10 HICDMO Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000444328988 868757733 /nfs/dbraw/zinc/75/77/33/868757733.db2.gz UVGLILWZRUVJIR-QHCPKHFHSA-N 1 1 419.573 4.111 20 10 HICDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472115379 886900846 /nfs/dbraw/zinc/90/08/46/886900846.db2.gz NKIKFLRMYSVHKT-PZJWPPBQSA-N 1 1 404.558 4.197 20 10 HICDMO COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)ccc21 ZINC000481996607 897393325 /nfs/dbraw/zinc/39/33/25/897393325.db2.gz FDZNXUOSMQNBPQ-QHCPKHFHSA-N 1 1 423.557 4.455 20 10 HICDMO Cc1cc2c(cc1NC(=O)Cn1c3ccccc3c3c1CC[N@H+](C(C)C)C3)OCO2 ZINC000436023097 861315915 /nfs/dbraw/zinc/31/59/15/861315915.db2.gz NYNWIPFDSSRQDO-UHFFFAOYSA-N 1 1 405.498 4.084 20 10 HICDMO COC1CCC(CCNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CC1 ZINC000436054750 861341256 /nfs/dbraw/zinc/34/12/56/861341256.db2.gz VGHFLRNOTQIIFU-UHFFFAOYSA-N 1 1 411.590 4.119 20 10 HICDMO CCc1sc(-c2nnc(C[N@H+](C)Cc3ccc(N4CCOCC4)cc3)o2)cc1C ZINC000015571970 846065309 /nfs/dbraw/zinc/06/53/09/846065309.db2.gz JOBIEINRHQRESP-UHFFFAOYSA-N 1 1 412.559 4.138 20 10 HICDMO CCc1sc(-c2nnc(C[N@@H+](C)Cc3ccc(N4CCOCC4)cc3)o2)cc1C ZINC000015571970 846065316 /nfs/dbraw/zinc/06/53/16/846065316.db2.gz JOBIEINRHQRESP-UHFFFAOYSA-N 1 1 412.559 4.138 20 10 HICDMO Cn1c(-c2ccccc2)cn(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1=S ZINC000016878881 846218990 /nfs/dbraw/zinc/21/89/90/846218990.db2.gz VTUDARDAAPFKPV-UHFFFAOYSA-N 1 1 408.571 4.149 20 10 HICDMO Cn1c(-c2ccccc2)cn(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1=S ZINC000016878881 846218996 /nfs/dbraw/zinc/21/89/96/846218996.db2.gz VTUDARDAAPFKPV-UHFFFAOYSA-N 1 1 408.571 4.149 20 10 HICDMO COc1ccc(N2CCC[N@@H+](Cc3ccc(OCc4cccnc4)cc3)CC2)cc1 ZINC000050960902 849422833 /nfs/dbraw/zinc/42/28/33/849422833.db2.gz PZSXMPAUVOULNL-UHFFFAOYSA-N 1 1 403.526 4.382 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3ccc(O)c(F)c3)no2)C1 ZINC000436878984 862057173 /nfs/dbraw/zinc/05/71/73/862057173.db2.gz LPJCQDNLRHAHRG-UHFFFAOYSA-N 1 1 406.461 4.351 20 10 HICDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)cc1C ZINC000072001587 852458733 /nfs/dbraw/zinc/45/87/33/852458733.db2.gz IAFUBMUMZSIEQF-OAHLLOKOSA-N 1 1 418.335 4.017 20 10 HICDMO COc1ccc(N2CCC[N@H+]([C@@H](C)c3nc(-c4ccc(F)c(C)c4)no3)CC2)cc1 ZINC000097476993 852615647 /nfs/dbraw/zinc/61/56/47/852615647.db2.gz PBHSUQYKMQZPNG-KRWDZBQOSA-N 1 1 410.493 4.466 20 10 HICDMO COc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)N[C@H](C)c3cc4ccccc4o3)CC2)cc1 ZINC000097494645 852619451 /nfs/dbraw/zinc/61/94/51/852619451.db2.gz VOVILZSXADEBIA-MOPGFXCFSA-N 1 1 421.541 4.219 20 10 HICDMO COc1ccc(N2CCC[N@H+]([C@@H](C)C(=O)N[C@H](C)c3cc4ccccc4o3)CC2)cc1 ZINC000097494645 852619453 /nfs/dbraw/zinc/61/94/53/852619453.db2.gz VOVILZSXADEBIA-MOPGFXCFSA-N 1 1 421.541 4.219 20 10 HICDMO COc1ccccc1CNC(=O)C[N@@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000216477314 853854179 /nfs/dbraw/zinc/85/41/79/853854179.db2.gz YZFBOPAQBDWEIO-LJQANCHMSA-N 1 1 404.510 4.280 20 10 HICDMO COc1ccc(CNC(=O)C[N@@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)cc1 ZINC000216479501 853854611 /nfs/dbraw/zinc/85/46/11/853854611.db2.gz JZEBZSMFKBFGKE-LJQANCHMSA-N 1 1 404.510 4.280 20 10 HICDMO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000255961285 854231932 /nfs/dbraw/zinc/23/19/32/854231932.db2.gz JPBDGRFZNUBGOW-GHTZIAJQSA-N 1 1 422.525 4.339 20 10 HICDMO CC(C)[C@@H](NC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000303379543 854899682 /nfs/dbraw/zinc/89/96/82/854899682.db2.gz NLOZMGCESOOTQA-XUZZJYLKSA-N 1 1 414.521 4.026 20 10 HICDMO CC(C)[C@@H](NC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000303379543 854899687 /nfs/dbraw/zinc/89/96/87/854899687.db2.gz NLOZMGCESOOTQA-XUZZJYLKSA-N 1 1 414.521 4.026 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(N3CCCC3)cn2)C1 ZINC000435868473 861129151 /nfs/dbraw/zinc/12/91/51/861129151.db2.gz TVUCSYYOPODQNY-UHFFFAOYSA-N 1 1 417.557 4.042 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccccc2-n2ccnc2)C1 ZINC000443953425 868489474 /nfs/dbraw/zinc/48/94/74/868489474.db2.gz UENLUJOCFBIHQA-UHFFFAOYSA-N 1 1 413.525 4.232 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@@H](c3ccsc3)C2)C1 ZINC000444264186 868705814 /nfs/dbraw/zinc/70/58/14/868705814.db2.gz COJJTRNLFCVKSK-HSZRJFAPSA-N 1 1 423.582 4.069 20 10 HICDMO Cc1cc(C[NH+](C)C)cc(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)c1 ZINC000444329630 868756200 /nfs/dbraw/zinc/75/62/00/868756200.db2.gz PPKKDPLZRCQBHM-UHFFFAOYSA-N 1 1 418.585 4.417 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)C1 ZINC000446345915 870256063 /nfs/dbraw/zinc/25/60/63/870256063.db2.gz GTVQSGQKWXBUAE-UHFFFAOYSA-N 1 1 421.589 4.087 20 10 HICDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472241790 887050555 /nfs/dbraw/zinc/05/05/55/887050555.db2.gz NVNOCTQIWNVDDT-NRFANRHFSA-N 1 1 419.573 4.078 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(c2ccccc2)[C@@H]2CCOC2)C1 ZINC000436001192 861288019 /nfs/dbraw/zinc/28/80/19/861288019.db2.gz FYSZTKVRNQKSQT-OAQYLSRUSA-N 1 1 417.553 4.230 20 10 HICDMO COCC[C@H]1CCCCN(C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C1 ZINC000436007171 861295548 /nfs/dbraw/zinc/29/55/48/861295548.db2.gz WZXXXHUOBYPHEQ-HXUWFJFHSA-N 1 1 411.590 4.073 20 10 HICDMO COCC[C@@H]1CCCCN(C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)C1 ZINC000436007170 861296478 /nfs/dbraw/zinc/29/64/78/861296478.db2.gz WZXXXHUOBYPHEQ-FQEVSTJZSA-N 1 1 411.590 4.073 20 10 HICDMO CCN(C(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)c1cccc2ccccc21 ZINC000015571688 846065275 /nfs/dbraw/zinc/06/52/75/846065275.db2.gz QKYFCPJPMMZXRP-UHFFFAOYSA-N 1 1 417.553 4.161 20 10 HICDMO CCN(C(=O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)c1cccc2ccccc21 ZINC000015571688 846065280 /nfs/dbraw/zinc/06/52/80/846065280.db2.gz QKYFCPJPMMZXRP-UHFFFAOYSA-N 1 1 417.553 4.161 20 10 HICDMO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000016386681 846163454 /nfs/dbraw/zinc/16/34/54/846163454.db2.gz FDZRVKYDAKKSNA-GOSISDBHSA-N 1 1 411.546 4.153 20 10 HICDMO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@H](C(=O)Nc4cccc(C)n4)C3)c2c1 ZINC000047252315 849014575 /nfs/dbraw/zinc/01/45/75/849014575.db2.gz PCWWNIWVMQXZMQ-GOSISDBHSA-N 1 1 405.498 4.108 20 10 HICDMO C[C@@H](c1ccccc1)[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1O ZINC000216481046 853854340 /nfs/dbraw/zinc/85/43/40/853854340.db2.gz VGRCQROCKRIMBB-SFHVURJKSA-N 1 1 418.493 4.365 20 10 HICDMO C[C@@H]([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)c1ccc(N2CCOCC2)cc1 ZINC000237528873 854050363 /nfs/dbraw/zinc/05/03/63/854050363.db2.gz KUBTVAXSCOLIQE-MRXNPFEDSA-N 1 1 423.538 4.226 20 10 HICDMO Cn1c2ccccc2nc1[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000237745266 854088130 /nfs/dbraw/zinc/08/81/30/854088130.db2.gz WOLQZWIGXCVOAL-RUZDIDTESA-N 1 1 412.537 4.289 20 10 HICDMO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c(C)n1-c1ccccn1 ZINC000303924340 855294433 /nfs/dbraw/zinc/29/44/33/855294433.db2.gz WGDXFXLGPKJPKP-HXUWFJFHSA-N 1 1 402.542 4.226 20 10 HICDMO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c(C)n1-c1ccccc1Br ZINC000303961422 855323710 /nfs/dbraw/zinc/32/37/10/855323710.db2.gz WSNCSTUOVCRUSV-LIRRHRJNSA-N 1 1 418.379 4.269 20 10 HICDMO COc1cc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)cc(OC)c1 ZINC000435651564 860933646 /nfs/dbraw/zinc/93/36/46/860933646.db2.gz VECUSJUEPSDIOX-UHFFFAOYSA-N 1 1 407.514 4.064 20 10 HICDMO CC(=O)N(C)c1ccccc1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435874711 861134669 /nfs/dbraw/zinc/13/46/69/861134669.db2.gz MZXMBJBMNYBCMS-UHFFFAOYSA-N 1 1 418.541 4.029 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCCCNc2ccccc2)C1 ZINC000444181007 868651654 /nfs/dbraw/zinc/65/16/54/868651654.db2.gz IDXMUAQQNGQOMO-UHFFFAOYSA-N 1 1 404.558 4.026 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)[C@H](C)Cc2ccc(O)cc2)C1 ZINC000444338618 868766608 /nfs/dbraw/zinc/76/66/08/868766608.db2.gz QUUPREMICSMMPS-LJQANCHMSA-N 1 1 419.569 4.203 20 10 HICDMO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)CC(=O)c2cccs2)C1 ZINC000444342484 868773142 /nfs/dbraw/zinc/77/31/42/868773142.db2.gz XHFIBDBJGWIRDG-QGZVFWFLSA-N 1 1 423.582 4.247 20 10 HICDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472115380 886900448 /nfs/dbraw/zinc/90/04/48/886900448.db2.gz NKIKFLRMYSVHKT-TZIWHRDSSA-N 1 1 404.558 4.197 20 10 HICDMO COCCc1ccccc1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435999065 861283775 /nfs/dbraw/zinc/28/37/75/861283775.db2.gz HMLMWCFUKDDPTQ-UHFFFAOYSA-N 1 1 405.542 4.235 20 10 HICDMO CNC(=O)C1CC[NH+](CC(=O)c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)CC1 ZINC000029165351 847517802 /nfs/dbraw/zinc/51/78/02/847517802.db2.gz QTTOSFBDQCYQFK-UHFFFAOYSA-N 1 1 422.356 4.042 20 10 HICDMO O=C(C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)Nc1ccc(C(F)(F)F)cc1 ZINC000096970968 852565948 /nfs/dbraw/zinc/56/59/48/852565948.db2.gz RPXXCTPZDXPFKX-GOSISDBHSA-N 1 1 408.420 4.031 20 10 HICDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)Nc1ccc(C(F)(F)F)cc1 ZINC000096970968 852565954 /nfs/dbraw/zinc/56/59/54/852565954.db2.gz RPXXCTPZDXPFKX-GOSISDBHSA-N 1 1 408.420 4.031 20 10 HICDMO COc1ccc(N2CCC[N@@H+](Cc3cc(Cl)c4c(c3)OCCCO4)CC2)cc1 ZINC000108090610 852822249 /nfs/dbraw/zinc/82/22/49/852822249.db2.gz MBOAFMNPGIFLPP-UHFFFAOYSA-N 1 1 402.922 4.222 20 10 HICDMO Cc1ccc([C@H]([NH2+]Cc2ccc3c(c2)CCO3)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237661951 854070726 /nfs/dbraw/zinc/07/07/26/854070726.db2.gz WFQZZKMDVMNMMK-DEOSSOPVSA-N 1 1 407.535 4.213 20 10 HICDMO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000255961286 854231778 /nfs/dbraw/zinc/23/17/78/854231778.db2.gz JPBDGRFZNUBGOW-WIYYLYMNSA-N 1 1 422.525 4.339 20 10 HICDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)ccc21 ZINC000303201015 854814644 /nfs/dbraw/zinc/81/46/44/854814644.db2.gz OFXUZSRBNGFQTB-XMMPIXPASA-N 1 1 405.542 4.033 20 10 HICDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)ccc21 ZINC000303201015 854814647 /nfs/dbraw/zinc/81/46/47/854814647.db2.gz OFXUZSRBNGFQTB-XMMPIXPASA-N 1 1 405.542 4.033 20 10 HICDMO CC(=O)Nc1cc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)ccc1F ZINC000435637870 860929401 /nfs/dbraw/zinc/92/94/01/860929401.db2.gz QGYVVUPFLSYNRB-UHFFFAOYSA-N 1 1 422.504 4.144 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H]2c2cccnc2)C1 ZINC000435664726 860943470 /nfs/dbraw/zinc/94/34/70/860943470.db2.gz NNWCOQSTZNDCMR-QFIPXVFZSA-N 1 1 402.542 4.167 20 10 HICDMO Cc1cn2cc(NC(=O)Cn3c4ccccc4c4c3CC[N@H+](C(C)C)C4)ccc2n1 ZINC000435735514 861016602 /nfs/dbraw/zinc/01/66/02/861016602.db2.gz NNGPSUIQMPBKIX-UHFFFAOYSA-N 1 1 401.514 4.003 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2c(F)cc(F)cc2F)C1 ZINC000435819984 861085127 /nfs/dbraw/zinc/08/51/27/861085127.db2.gz ZFTFETLYGQHMPP-UHFFFAOYSA-N 1 1 401.432 4.464 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@](C)(C2CC2)C(F)(F)F)C1 ZINC000435826956 861091906 /nfs/dbraw/zinc/09/19/06/861091906.db2.gz PUKYKGDNXNKOMI-OAQYLSRUSA-N 1 1 407.480 4.255 20 10 HICDMO CCc1cnccc1[C@@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000444262297 868704419 /nfs/dbraw/zinc/70/44/19/868704419.db2.gz AHPOMKBYGUONGM-GOSISDBHSA-N 1 1 404.558 4.243 20 10 HICDMO Cc1c(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)cnn1CC(C)C ZINC000444265396 868706013 /nfs/dbraw/zinc/70/60/13/868706013.db2.gz AWGYEIMZDRPBCH-UHFFFAOYSA-N 1 1 407.562 4.207 20 10 HICDMO Cc1n[nH]c2cc(NC(=O)Cn3c4ccccc4c4c3CC[N@H+](C(C)C)C4)ccc12 ZINC000444352751 868781207 /nfs/dbraw/zinc/78/12/07/868781207.db2.gz PWYJKCUEASHVHX-UHFFFAOYSA-N 1 1 401.514 4.231 20 10 HICDMO Cc1[nH]nc2cc(NC(=O)Cn3c4ccccc4c4c3CC[N@@H+](C(C)C)C4)ccc12 ZINC000444352751 868781229 /nfs/dbraw/zinc/78/12/29/868781229.db2.gz PWYJKCUEASHVHX-UHFFFAOYSA-N 1 1 401.514 4.231 20 10 HICDMO Cc1[nH]nc2cc(NC(=O)Cn3c4ccccc4c4c3CC[N@H+](C(C)C)C4)ccc12 ZINC000444352751 868781257 /nfs/dbraw/zinc/78/12/57/868781257.db2.gz PWYJKCUEASHVHX-UHFFFAOYSA-N 1 1 401.514 4.231 20 10 HICDMO Cc1nc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)nc2c1CCCC2 ZINC000463238518 876295621 /nfs/dbraw/zinc/29/56/21/876295621.db2.gz QXQRTNJGKGCMDA-UHFFFAOYSA-N 1 1 417.557 4.024 20 10 HICDMO CCN(C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)[C@H]1CCOC(C)(C)C1 ZINC000464689475 877902488 /nfs/dbraw/zinc/90/24/88/877902488.db2.gz KFUXHPAWVNQBIG-IBGZPJMESA-N 1 1 411.590 4.214 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccc3ncccc3c2)C1 ZINC000471524316 886227907 /nfs/dbraw/zinc/22/79/07/886227907.db2.gz XQGVJVNAOYAXJX-UHFFFAOYSA-N 1 1 412.537 4.272 20 10 HICDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000471998525 886824424 /nfs/dbraw/zinc/82/44/24/886824424.db2.gz LXNSDBJYCMSPME-XMSQKQJNSA-N 1 1 404.558 4.197 20 10 HICDMO COCCn1c(C)c(C)c2cc(C(=O)N3CC[NH+](Cc4ccccc4C)CC3)ccc21 ZINC000484983187 900339844 /nfs/dbraw/zinc/33/98/44/900339844.db2.gz ICOLMJHHIGJGAO-UHFFFAOYSA-N 1 1 419.569 4.171 20 10 HICDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000007219215 845287046 /nfs/dbraw/zinc/28/70/46/845287046.db2.gz MCJNPWMZDFWQIY-LJQANCHMSA-N 1 1 422.598 4.200 20 10 HICDMO Cc1cc(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)c(C)n1-c1cccc(Br)c1 ZINC000109986174 853042101 /nfs/dbraw/zinc/04/21/01/853042101.db2.gz DNAZVROSNMAQMU-QGZVFWFLSA-N 1 1 418.379 4.317 20 10 HICDMO C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237118429 853966422 /nfs/dbraw/zinc/96/64/22/853966422.db2.gz CJOTZXVWICYJPN-YWZLYKJASA-N 1 1 423.435 4.492 20 10 HICDMO C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237118429 853966429 /nfs/dbraw/zinc/96/64/29/853966429.db2.gz CJOTZXVWICYJPN-YWZLYKJASA-N 1 1 423.435 4.492 20 10 HICDMO CC(C)[C@@H](NC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000303379544 854899715 /nfs/dbraw/zinc/89/97/15/854899715.db2.gz NLOZMGCESOOTQA-ZJSXRUAMSA-N 1 1 414.521 4.026 20 10 HICDMO CC(C)[C@@H](NC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000303379544 854899717 /nfs/dbraw/zinc/89/97/17/854899717.db2.gz NLOZMGCESOOTQA-ZJSXRUAMSA-N 1 1 414.521 4.026 20 10 HICDMO CCOc1ccc(-c2noc(C[N@@H+](Cc3ccccc3O)C[C@@H]3CCCO3)n2)cc1 ZINC000303394371 854905972 /nfs/dbraw/zinc/90/59/72/854905972.db2.gz QFRBDGIGOBSMBY-FQEVSTJZSA-N 1 1 409.486 4.022 20 10 HICDMO CCOc1ccc(-c2noc(C[N@H+](Cc3ccccc3O)C[C@@H]3CCCO3)n2)cc1 ZINC000303394371 854905976 /nfs/dbraw/zinc/90/59/76/854905976.db2.gz QFRBDGIGOBSMBY-FQEVSTJZSA-N 1 1 409.486 4.022 20 10 HICDMO CC1CCN(c2ccc(CNC(=O)NCCCC[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000303425199 854927057 /nfs/dbraw/zinc/92/70/57/854927057.db2.gz ZKMUQZHHVWOHOE-NRFANRHFSA-N 1 1 400.611 4.234 20 10 HICDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)[C@@H](C)C1 ZINC000303677951 855126018 /nfs/dbraw/zinc/12/60/18/855126018.db2.gz JJKBMEUDDLLHPH-GAJHUEQPSA-N 1 1 415.553 4.100 20 10 HICDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc(C)n(-c3ccccc3C)c2C)[C@H](C)C1 ZINC000303710728 855145604 /nfs/dbraw/zinc/14/56/04/855145604.db2.gz PTJVXEDASCDLDC-AUSIDOKSSA-N 1 1 411.590 4.269 20 10 HICDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)[C@H](C)C1 ZINC000303740010 855164785 /nfs/dbraw/zinc/16/47/85/855164785.db2.gz YECVEGNFUYBREP-NTKDMRAZSA-N 1 1 411.590 4.269 20 10 HICDMO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c(C)n1-c1ccccc1Br ZINC000303961416 855323440 /nfs/dbraw/zinc/32/34/40/855323440.db2.gz WSNCSTUOVCRUSV-AUUYWEPGSA-N 1 1 418.379 4.269 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccnn2[C@H](C)C2CC2)C1 ZINC000435662125 860942160 /nfs/dbraw/zinc/94/21/60/860942160.db2.gz CCQHPLSHJYMIAW-QGZVFWFLSA-N 1 1 405.546 4.214 20 10 HICDMO CC(=O)Nc1ccc(C)cc1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435732773 861014924 /nfs/dbraw/zinc/01/49/24/861014924.db2.gz QPMQDWQUIVCGNI-UHFFFAOYSA-N 1 1 418.541 4.313 20 10 HICDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(CC[NH+](C)C)cc2)C1 ZINC000435733487 861015114 /nfs/dbraw/zinc/01/51/14/861015114.db2.gz BYLAMWFVIYHMEB-UHFFFAOYSA-N 1 1 418.585 4.151 20 10 HICDMO CCOc1ccc(OC)cc1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435877634 861136194 /nfs/dbraw/zinc/13/61/94/861136194.db2.gz SUDCYMJAWNVNNR-UHFFFAOYSA-N 1 1 421.541 4.454 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2cc3ccccc3[nH]2)C1 ZINC000444144038 868637735 /nfs/dbraw/zinc/63/77/35/868637735.db2.gz RTSFEGIJGDIXEL-UHFFFAOYSA-N 1 1 400.526 4.206 20 10 HICDMO COCCn1c(C)c(C)c2cc(C(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)ccc21 ZINC000484938376 900309544 /nfs/dbraw/zinc/30/95/44/900309544.db2.gz XZVHZCRZLAECJE-UHFFFAOYSA-N 1 1 419.569 4.253 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCCc2ccc3[nH]ccc3c2)C1 ZINC000508194135 917015560 /nfs/dbraw/zinc/01/55/60/917015560.db2.gz SRNKXOVSWVXNHA-UHFFFAOYSA-N 1 1 414.553 4.248 20 10 HICDMO CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000544050109 940310992 /nfs/dbraw/zinc/31/09/92/940310992.db2.gz PVKJWBRYYGCPAZ-UHFFFAOYSA-N 1 1 415.537 4.424 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3n[nH]c4ccccc43)no2)C1 ZINC000554810711 942252610 /nfs/dbraw/zinc/25/26/10/942252610.db2.gz VIPUJXWBPIRNQB-UHFFFAOYSA-N 1 1 412.497 4.382 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC(C3CCOCC3)CC2)C1 ZINC000565400386 945826329 /nfs/dbraw/zinc/82/63/29/945826329.db2.gz JHCZWSAJSJQQSY-UHFFFAOYSA-N 1 1 423.601 4.073 20 10 HICDMO CCC[N@@H+](CC(=O)Nc1ccnn1Cc1ccccc1Cl)Cc1ccccc1O ZINC000110085494 853058902 /nfs/dbraw/zinc/05/89/02/853058902.db2.gz AQJXAABYZOQDFV-UHFFFAOYSA-N 1 1 412.921 4.141 20 10 HICDMO O=C(C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)Nc1cccc(Cl)c1Cl ZINC000302832828 854648556 /nfs/dbraw/zinc/64/85/56/854648556.db2.gz KDXHVMBZNWGFGM-OAHLLOKOSA-N 1 1 409.313 4.319 20 10 HICDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)Nc1cccc(Cl)c1Cl ZINC000302832828 854648557 /nfs/dbraw/zinc/64/85/57/854648557.db2.gz KDXHVMBZNWGFGM-OAHLLOKOSA-N 1 1 409.313 4.319 20 10 HICDMO CN1CCCc2cc(CNC(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)ccc21 ZINC000303426000 854928201 /nfs/dbraw/zinc/92/82/01/854928201.db2.gz AQINYUBBBRVYLZ-CWAQXLGLSA-N 1 1 418.585 4.064 20 10 HICDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)[C@@H](C)C1 ZINC000303740012 855165089 /nfs/dbraw/zinc/16/50/89/855165089.db2.gz YECVEGNFUYBREP-YADARESESA-N 1 1 411.590 4.269 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCOc3ccc(F)cc32)C1 ZINC000435863299 861123241 /nfs/dbraw/zinc/12/32/41/861123241.db2.gz VSEINBIGGQYIJD-NRFANRHFSA-N 1 1 421.516 4.187 20 10 HICDMO Cc1cc([C@@H]2CCCN2C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)on1 ZINC000444033500 868566682 /nfs/dbraw/zinc/56/66/82/868566682.db2.gz SCXCDJFZLSPNGD-QFIPXVFZSA-N 1 1 406.530 4.068 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2c[nH]nc2-c2ccccc2)C1 ZINC000444342742 868772818 /nfs/dbraw/zinc/77/28/18/868772818.db2.gz XZCAQWWCUOKZDN-UHFFFAOYSA-N 1 1 413.525 4.437 20 10 HICDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000472071878 886876370 /nfs/dbraw/zinc/87/63/70/886876370.db2.gz BTPYXEXSQLNESC-GHTZIAJQSA-N 1 1 404.558 4.339 20 10 HICDMO COCCn1c(C)c(C)c2cc(C(=O)N(C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)ccc21 ZINC000475299213 890205994 /nfs/dbraw/zinc/20/59/94/890205994.db2.gz RRIHVZTXQXGRKN-QHCPKHFHSA-N 1 1 419.569 4.251 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)c2cnc3ccccc3n2)C1 ZINC000484895044 900277922 /nfs/dbraw/zinc/27/79/22/900277922.db2.gz MDUYLHHFPHWGAE-UHFFFAOYSA-N 1 1 413.525 4.014 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC(C)(C)[C@@H]2c2cccnc2)C1 ZINC000557378216 943093287 /nfs/dbraw/zinc/09/32/87/943093287.db2.gz WYSMSPXKCIHWTQ-VWLOTQADSA-N 1 1 416.569 4.413 20 10 HICDMO COCC[C@H](NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)c1ccc(C)o1 ZINC000436025587 861319512 /nfs/dbraw/zinc/31/95/12/861319512.db2.gz WNJVLMZDYIGJHH-NRFANRHFSA-N 1 1 423.557 4.203 20 10 HICDMO CC(C)C[C@@H]1C[C@H](NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CCO1 ZINC000436036456 861328727 /nfs/dbraw/zinc/32/87/27/861328727.db2.gz XPGGMDDSYZOBER-WOJBJXKFSA-N 1 1 411.590 4.118 20 10 HICDMO CCCCn1cc(CNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)c(C)n1 ZINC000436043159 861332602 /nfs/dbraw/zinc/33/26/02/861332602.db2.gz QIQNAWVOCKHOHY-UHFFFAOYSA-N 1 1 421.589 4.029 20 10 HICDMO COc1cc(N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc(OC)c1OC ZINC000302138200 854535897 /nfs/dbraw/zinc/53/58/97/854535897.db2.gz CGXDDJXXYQLMJE-UHFFFAOYSA-N 1 1 413.905 4.241 20 10 HICDMO Cc1cc(N(C)C)ccc1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435545163 860860210 /nfs/dbraw/zinc/86/02/10/860860210.db2.gz IMUOOWZFIJKSKN-UHFFFAOYSA-N 1 1 404.558 4.421 20 10 HICDMO COc1ccc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)c(OC)c1 ZINC000435655855 860937397 /nfs/dbraw/zinc/93/73/97/860937397.db2.gz PENMYKPERAGBLG-UHFFFAOYSA-N 1 1 407.514 4.064 20 10 HICDMO Cc1nc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)cc(C2CC2)n1 ZINC000435908715 861169536 /nfs/dbraw/zinc/16/95/36/861169536.db2.gz PQLPPFIXNDORHR-UHFFFAOYSA-N 1 1 403.530 4.022 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCOC3(CCCC3)C2)C1 ZINC000435911791 861174304 /nfs/dbraw/zinc/17/43/04/861174304.db2.gz PMRCTHYDMYXRKQ-IBGZPJMESA-N 1 1 409.574 4.016 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@H](c3ccsc3)C2)C1 ZINC000444264189 868706126 /nfs/dbraw/zinc/70/61/26/868706126.db2.gz COJJTRNLFCVKSK-QHCPKHFHSA-N 1 1 423.582 4.069 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)[C@H](C)c2cccc(O)c2)C1 ZINC000444296290 868726588 /nfs/dbraw/zinc/72/65/88/868726588.db2.gz QBEAFJIRYBCLHY-GOSISDBHSA-N 1 1 405.542 4.333 20 10 HICDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472115378 886899921 /nfs/dbraw/zinc/89/99/21/886899921.db2.gz NKIKFLRMYSVHKT-FPOVZHCZSA-N 1 1 404.558 4.197 20 10 HICDMO Cc1c2ccccc2n(C)c1CNc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000490041497 903738177 /nfs/dbraw/zinc/73/81/77/903738177.db2.gz SAWWZCLEXXRMFT-OAQYLSRUSA-N 1 1 404.558 4.265 20 10 HICDMO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)ccc21 ZINC000510790368 919258303 /nfs/dbraw/zinc/25/83/03/919258303.db2.gz AJVWMZSJVSICEW-RXVVDRJESA-N 1 1 411.590 4.287 20 10 HICDMO COc1cccc(Cc2noc(Cn3c4ccccc4c4c3CC[N@@H+](C(C)C)C4)n2)c1 ZINC000571801801 947789381 /nfs/dbraw/zinc/78/93/81/947789381.db2.gz SNXYFPSGQQWNHC-UHFFFAOYSA-N 1 1 416.525 4.439 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)C1 ZINC000436033103 861325264 /nfs/dbraw/zinc/32/52/64/861325264.db2.gz JYVGKNKCDZRJHP-KBMIEXCESA-N 1 1 416.569 4.413 20 10 HICDMO COc1ccc(N2CCC[N@H+]([C@H](C)c3nc(-c4ccc(F)c(C)c4)no3)CC2)cc1 ZINC000097476992 852615935 /nfs/dbraw/zinc/61/59/35/852615935.db2.gz PBHSUQYKMQZPNG-QGZVFWFLSA-N 1 1 410.493 4.466 20 10 HICDMO COc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)N[C@H](C)c3cc4ccccc4o3)CC2)cc1 ZINC000097494643 852619203 /nfs/dbraw/zinc/61/92/03/852619203.db2.gz VOVILZSXADEBIA-RTBURBONSA-N 1 1 421.541 4.219 20 10 HICDMO COc1ccc(N2CCC[N@H+]([C@H](C)C(=O)N[C@H](C)c3cc4ccccc4o3)CC2)cc1 ZINC000097494643 852619207 /nfs/dbraw/zinc/61/92/07/852619207.db2.gz VOVILZSXADEBIA-RTBURBONSA-N 1 1 421.541 4.219 20 10 HICDMO COc1ccc(OCc2nc(C[NH2+]Cc3ccc4c(c3)CCCN4C)cs2)cc1 ZINC000237304824 854002653 /nfs/dbraw/zinc/00/26/53/854002653.db2.gz YOOIJSCCOIFNPA-UHFFFAOYSA-N 1 1 409.555 4.403 20 10 HICDMO O=C(C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Nc1cccc(Cl)c1Cl ZINC000302832827 854648404 /nfs/dbraw/zinc/64/84/04/854648404.db2.gz KDXHVMBZNWGFGM-HNNXBMFYSA-N 1 1 409.313 4.319 20 10 HICDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Nc1cccc(Cl)c1Cl ZINC000302832827 854648409 /nfs/dbraw/zinc/64/84/09/854648409.db2.gz KDXHVMBZNWGFGM-HNNXBMFYSA-N 1 1 409.313 4.319 20 10 HICDMO C[N@H+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)Cc1ccccc1O ZINC000303402208 854910518 /nfs/dbraw/zinc/91/05/18/854910518.db2.gz RVKZWQASFDUEPY-QGZVFWFLSA-N 1 1 411.552 4.325 20 10 HICDMO C[N@@H+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)Cc1ccccc1O ZINC000303402208 854910529 /nfs/dbraw/zinc/91/05/29/854910529.db2.gz RVKZWQASFDUEPY-QGZVFWFLSA-N 1 1 411.552 4.325 20 10 HICDMO CC(=O)Nc1ccc(F)c(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)c1 ZINC000435611556 860915544 /nfs/dbraw/zinc/91/55/44/860915544.db2.gz BMECNSYAYKRWRT-UHFFFAOYSA-N 1 1 422.504 4.144 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(-c3nnco3)c2)C1 ZINC000435618619 860922330 /nfs/dbraw/zinc/92/23/30/860922330.db2.gz QWOOTDYTRNLZMZ-UHFFFAOYSA-N 1 1 415.497 4.097 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC(OC3CCCC3)CC2)C1 ZINC000435683421 860964792 /nfs/dbraw/zinc/96/47/92/860964792.db2.gz PNIOOEMFGOGXTK-UHFFFAOYSA-N 1 1 423.601 4.358 20 10 HICDMO CCCCOC1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CC1 ZINC000435819201 861083921 /nfs/dbraw/zinc/08/39/21/861083921.db2.gz PYAJQDTXYHVKJD-UHFFFAOYSA-N 1 1 411.590 4.216 20 10 HICDMO CC[C@@H](c1ccncc1)N(C)C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435872842 861132998 /nfs/dbraw/zinc/13/29/98/861132998.db2.gz RUXXMXKURVVAJW-QFIPXVFZSA-N 1 1 404.558 4.413 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@H](c3cccs3)C2)C1 ZINC000444273446 868710258 /nfs/dbraw/zinc/71/02/58/868710258.db2.gz PEMYCKMWZQQSIL-QFIPXVFZSA-N 1 1 423.582 4.069 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC=C(C(F)(F)F)CC2)C1 ZINC000444331625 868756304 /nfs/dbraw/zinc/75/63/04/868756304.db2.gz PZMHTWWSBHBNPL-UHFFFAOYSA-N 1 1 405.464 4.129 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCc3cccc(O)c32)C1 ZINC000444341171 868770956 /nfs/dbraw/zinc/77/09/56/868770956.db2.gz KDSHFZIUMCCAJE-UHFFFAOYSA-N 1 1 403.526 4.093 20 10 HICDMO CCN(C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)[C@@H]1CCOC(C)(C)C1 ZINC000464689476 877902851 /nfs/dbraw/zinc/90/28/51/877902851.db2.gz KFUXHPAWVNQBIG-LJQANCHMSA-N 1 1 411.590 4.214 20 10 HICDMO COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](C)[N@H+]3CCc4ccccc4C3)ccc21 ZINC000482542375 898129779 /nfs/dbraw/zinc/12/97/79/898129779.db2.gz GOHLDIWOTOLJTE-SFHVURJKSA-N 1 1 419.569 4.081 20 10 HICDMO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CC[N@H+]([C@H](C)c4ccccc4)C3)ccc21 ZINC000483467207 899108985 /nfs/dbraw/zinc/10/89/85/899108985.db2.gz HRBRIQQOISDTGG-NFBKMPQASA-N 1 1 419.569 4.470 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCCC(F)(F)C2)C1 ZINC000499578304 908846300 /nfs/dbraw/zinc/84/63/00/908846300.db2.gz ZHWQUZFGRUEXIF-QGZVFWFLSA-N 1 1 403.517 4.350 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2Cc2nc([C@@H](C)c3ccncc3)no2)C1 ZINC000572284305 947875730 /nfs/dbraw/zinc/87/57/30/947875730.db2.gz FRMNJUKYPVNVAO-KRWDZBQOSA-N 1 1 401.514 4.386 20 10 HICDMO CCc1cccnc1-c1noc(Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)n1 ZINC000575904871 948769518 /nfs/dbraw/zinc/76/95/18/948769518.db2.gz SHYBRMUEJDXBLS-UHFFFAOYSA-N 1 1 401.514 4.464 20 10 HICDMO COCC[C@@H](NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)c1ccc(C)o1 ZINC000436025588 861320026 /nfs/dbraw/zinc/32/00/26/861320026.db2.gz WNJVLMZDYIGJHH-OAQYLSRUSA-N 1 1 423.557 4.203 20 10 HICDMO Cc1cc(C(=O)CN2CC[NH+](C)CC2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000022817035 846625201 /nfs/dbraw/zinc/62/52/01/846625201.db2.gz ZAKZUQUCBJPBBG-UHFFFAOYSA-N 1 1 413.871 4.196 20 10 HICDMO CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000064229988 851852782 /nfs/dbraw/zinc/85/27/82/851852782.db2.gz XQYWNSPJNNWREQ-UHFFFAOYSA-N 1 1 408.590 4.470 20 10 HICDMO CCC[N@@H+](CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)Cc1ccccc1O ZINC000110990046 853181158 /nfs/dbraw/zinc/18/11/58/853181158.db2.gz OYLWTOLJCLBZCB-UHFFFAOYSA-N 1 1 406.530 4.436 20 10 HICDMO C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(N2CCOCC2)cc1 ZINC000237641359 854067128 /nfs/dbraw/zinc/06/71/28/854067128.db2.gz XQKBOOMFMSYNSP-INIZCTEOSA-N 1 1 424.526 4.406 20 10 HICDMO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000237830207 854105704 /nfs/dbraw/zinc/10/57/04/854105704.db2.gz FQLLNKRNZGUBGR-UHFFFAOYSA-N 1 1 417.431 4.487 20 10 HICDMO CC[C@H](NC(=O)C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1)c1ccc(Cl)cc1 ZINC000302964697 854699631 /nfs/dbraw/zinc/69/96/31/854699631.db2.gz MUAYHIPGMSPLPE-QFIPXVFZSA-N 1 1 415.965 4.128 20 10 HICDMO CC[C@H](NC(=O)C[N@H+]1CCCN(c2ccc(OC)cc2)CC1)c1ccc(Cl)cc1 ZINC000302964697 854699636 /nfs/dbraw/zinc/69/96/36/854699636.db2.gz MUAYHIPGMSPLPE-QFIPXVFZSA-N 1 1 415.965 4.128 20 10 HICDMO O=C(c1cccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1)N1CCCCC1 ZINC000303394572 854906680 /nfs/dbraw/zinc/90/66/80/854906680.db2.gz QISVKZLODVLNLW-HSZRJFAPSA-N 1 1 408.542 4.200 20 10 HICDMO CC1CCN(c2ccc(CNC(=O)NCCCC[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000303425200 854927196 /nfs/dbraw/zinc/92/71/96/854927196.db2.gz ZKMUQZHHVWOHOE-OAQYLSRUSA-N 1 1 400.611 4.234 20 10 HICDMO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c(C)n1-c1ccccc1Br ZINC000303961420 855323238 /nfs/dbraw/zinc/32/32/38/855323238.db2.gz WSNCSTUOVCRUSV-KUHUBIRLSA-N 1 1 418.379 4.269 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(-c3nnco3)cc2)C1 ZINC000435633113 860927418 /nfs/dbraw/zinc/92/74/18/860927418.db2.gz VUSFQELCOYMTSH-UHFFFAOYSA-N 1 1 415.497 4.097 20 10 HICDMO CC(C)[C@H](CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)c1cccnc1 ZINC000435808438 861075690 /nfs/dbraw/zinc/07/56/90/861075690.db2.gz MBGCWRXTYDMOPC-QFIPXVFZSA-N 1 1 418.585 4.359 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC(OC(C)(C)C)CC2)C1 ZINC000435814907 861080169 /nfs/dbraw/zinc/08/01/69/861080169.db2.gz ZPHWSCZOGKWSNX-UHFFFAOYSA-N 1 1 411.590 4.214 20 10 HICDMO Cc1csc(N(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C2CC2)n1 ZINC000435859539 861116848 /nfs/dbraw/zinc/11/68/48/861116848.db2.gz AIGHQOUGRFYKBS-UHFFFAOYSA-N 1 1 408.571 4.368 20 10 HICDMO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000471776107 886508913 /nfs/dbraw/zinc/50/89/13/886508913.db2.gz WPXREAHXMQTEEB-SFHVURJKSA-N 1 1 410.587 4.260 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCC[C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000549319597 941179731 /nfs/dbraw/zinc/17/97/31/941179731.db2.gz TWFMRFMATJHOHZ-ACDBMABISA-N 1 1 411.590 4.118 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCC2(c3ccccn3)CCC2)C1 ZINC000552374875 941648314 /nfs/dbraw/zinc/64/83/14/941648314.db2.gz DPTKUFDXGBEXIF-UHFFFAOYSA-N 1 1 416.569 4.041 20 10 HICDMO Cc1cccnc1C(C)(C)CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000564520046 945649101 /nfs/dbraw/zinc/64/91/01/945649101.db2.gz GHYZVUXRVMTGEO-UHFFFAOYSA-N 1 1 418.585 4.205 20 10 HICDMO CCc1nc(Cc2noc(Cn3c4ccccc4c4c3CC[N@@H+](C(C)C)C4)n2)cs1 ZINC000569620232 946898251 /nfs/dbraw/zinc/89/82/51/946898251.db2.gz HAOJXYHPURFPMM-UHFFFAOYSA-N 1 1 421.570 4.449 20 10 HICDMO O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064644033 851945819 /nfs/dbraw/zinc/94/58/19/851945819.db2.gz VDXIVDHREYEPLK-FQEVSTJZSA-N 1 1 412.603 4.060 20 10 HICDMO COc1ccc(N2CCC[N@@H+](Cc3cc(=O)oc4cc5c(cc34)CCC5)CC2)cc1 ZINC000097494615 852619278 /nfs/dbraw/zinc/61/92/78/852619278.db2.gz JZIFBHUNFRIJIA-UHFFFAOYSA-N 1 1 404.510 4.003 20 10 HICDMO COc1ccc(N2CCC[N@@H+](CC(=O)N[C@H](C)c3ccc4ccccc4c3)CC2)cc1 ZINC000108095206 852822120 /nfs/dbraw/zinc/82/21/20/852822120.db2.gz MZDSUKBFVCEPDF-HXUWFJFHSA-N 1 1 417.553 4.238 20 10 HICDMO CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000215607689 853833496 /nfs/dbraw/zinc/83/34/96/853833496.db2.gz YUWAKPKWQZPTPO-FQEVSTJZSA-N 1 1 414.619 4.306 20 10 HICDMO C[C@@H](c1ccccc1)[N@@H+](Cc1cccc(S(=O)(=O)N(C)C)c1)Cc1ccccc1O ZINC000216483327 853854579 /nfs/dbraw/zinc/85/45/79/853854579.db2.gz YYHPDLKNAVXPJV-IBGZPJMESA-N 1 1 424.566 4.406 20 10 HICDMO COCCn1c(C)c(C)c2cc(C(=O)NCCC[N@H+]3CCc4ccccc4C3)ccc21 ZINC000303177512 854802830 /nfs/dbraw/zinc/80/28/30/854802830.db2.gz JVFGOMCTKVKABU-UHFFFAOYSA-N 1 1 419.569 4.083 20 10 HICDMO CC1CCN(c2ccc(CNC(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)cc2)CC1 ZINC000303386454 854903333 /nfs/dbraw/zinc/90/33/33/854903333.db2.gz NWMAKHXXSJWPDL-DEOSSOPVSA-N 1 1 406.574 4.121 20 10 HICDMO CC1CCN(c2ccc(CNC(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)cc2)CC1 ZINC000303386454 854903342 /nfs/dbraw/zinc/90/33/42/854903342.db2.gz NWMAKHXXSJWPDL-DEOSSOPVSA-N 1 1 406.574 4.121 20 10 HICDMO CC(C)c1nn(C)cc1-c1noc(Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)n1 ZINC000426258929 856207217 /nfs/dbraw/zinc/20/72/17/856207217.db2.gz WBVWNKJBLAORNG-UHFFFAOYSA-N 1 1 418.545 4.363 20 10 HICDMO COc1ccc2c(c1)CN(C(=O)Cn1c3ccccc3c3c1CC[N@@H+](C(C)C)C3)CC2 ZINC000435536581 860850707 /nfs/dbraw/zinc/85/07/07/860850707.db2.gz URWRDXICOHNOFA-UHFFFAOYSA-N 1 1 417.553 4.001 20 10 HICDMO Cc1oc2ncnc(NC(=O)Cn3c4ccccc4c4c3CC[N@H+](C(C)C)C4)c2c1C ZINC000435662192 860941959 /nfs/dbraw/zinc/94/19/59/860941959.db2.gz CQZFLVDUYPOTPS-UHFFFAOYSA-N 1 1 417.513 4.200 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@](C)(C2CC2)C(F)(F)F)C1 ZINC000435826955 861092308 /nfs/dbraw/zinc/09/23/08/861092308.db2.gz PUKYKGDNXNKOMI-NRFANRHFSA-N 1 1 407.480 4.255 20 10 HICDMO COCc1cc(CNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)ccc1F ZINC000435854018 861115183 /nfs/dbraw/zinc/11/51/83/861115183.db2.gz FJCOIVCREQZGSD-UHFFFAOYSA-N 1 1 423.532 4.010 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H]2c2ccncc2)C1 ZINC000443913890 868448731 /nfs/dbraw/zinc/44/87/31/868448731.db2.gz QOYPNFGOBSQPIT-QFIPXVFZSA-N 1 1 402.542 4.167 20 10 HICDMO COC1CCC(C)(CNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)CC1 ZINC000471260425 885839956 /nfs/dbraw/zinc/83/99/56/885839956.db2.gz PTYOFSHOIICIJN-UHFFFAOYSA-N 1 1 411.590 4.119 20 10 HICDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000471998522 886824563 /nfs/dbraw/zinc/82/45/63/886824563.db2.gz LXNSDBJYCMSPME-AVRDEDQJSA-N 1 1 404.558 4.197 20 10 HICDMO CCc1cnccc1-c1noc(Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)n1 ZINC000565979879 945959819 /nfs/dbraw/zinc/95/98/19/945959819.db2.gz QDDSTEPYAOSWGW-UHFFFAOYSA-N 1 1 401.514 4.464 20 10 HICDMO COc1ccc(N2CCC[N@@H+](CC(=O)N[C@@H](C)c3ccc4ccccc4c3)CC2)cc1 ZINC000108095203 852822007 /nfs/dbraw/zinc/82/20/07/852822007.db2.gz MZDSUKBFVCEPDF-FQEVSTJZSA-N 1 1 417.553 4.238 20 10 HICDMO O=C(c1cccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1)N1CCCCC1 ZINC000303394575 854906864 /nfs/dbraw/zinc/90/68/64/854906864.db2.gz QISVKZLODVLNLW-QHCPKHFHSA-N 1 1 408.542 4.200 20 10 HICDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)[C@H](C)C1 ZINC000303677952 855126314 /nfs/dbraw/zinc/12/63/14/855126314.db2.gz JJKBMEUDDLLHPH-HXOBKFHXSA-N 1 1 415.553 4.100 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ncccc2OC(F)F)C1 ZINC000435866316 861127585 /nfs/dbraw/zinc/12/75/85/861127585.db2.gz GTTBDAOXMVSCEH-UHFFFAOYSA-N 1 1 414.456 4.043 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000435915437 861175846 /nfs/dbraw/zinc/17/58/46/861175846.db2.gz QUOFQGWRRWHGHO-HXUWFJFHSA-N 1 1 423.601 4.406 20 10 HICDMO COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)ccc21 ZINC000471288353 885872168 /nfs/dbraw/zinc/87/21/68/885872168.db2.gz RFBMCVOMPNCSMG-QFIPXVFZSA-N 1 1 419.569 4.156 20 10 HICDMO COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)ccc21 ZINC000471288352 885872523 /nfs/dbraw/zinc/87/25/23/885872523.db2.gz RFBMCVOMPNCSMG-JOCHJYFZSA-N 1 1 419.569 4.156 20 10 HICDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000472071880 886876478 /nfs/dbraw/zinc/87/64/78/886876478.db2.gz BTPYXEXSQLNESC-RXVVDRJESA-N 1 1 404.558 4.339 20 10 HICDMO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]Cc1c(C)c2ccccc2n1C ZINC000475199126 890068834 /nfs/dbraw/zinc/06/88/34/890068834.db2.gz SDAJKFSQGBAGPO-UHFFFAOYSA-N 1 1 402.498 4.139 20 10 HICDMO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC[N@H+]([C@@H](C)c4ccccc4)C3)ccc21 ZINC000483467216 899108695 /nfs/dbraw/zinc/10/86/95/899108695.db2.gz HRBRIQQOISDTGG-REWPJTCUSA-N 1 1 419.569 4.470 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3cnn(C(C)(C)C)c3)no2)C1 ZINC000563914826 945324254 /nfs/dbraw/zinc/32/42/54/945324254.db2.gz BRJLEUCXEFSLID-UHFFFAOYSA-N 1 1 418.545 4.458 20 10 HICDMO COCCn1c(C)c(C)c2cc(C(=O)N(C)CCC[N@@H+](C)Cc3ccco3)ccc21 ZINC000552758153 941753943 /nfs/dbraw/zinc/75/39/43/941753943.db2.gz VUNHKPUOHPNKSG-UHFFFAOYSA-N 1 1 411.546 4.092 20 10 HICDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2Cc2nc([C@H](C)c3ccncc3)no2)C1 ZINC000572284306 947875830 /nfs/dbraw/zinc/87/58/30/947875830.db2.gz FRMNJUKYPVNVAO-QGZVFWFLSA-N 1 1 401.514 4.386 20 10 HICDMO COCCn1c(C)c(C)c2cc(C(=O)NCc3cc(C)[nH+]c(N4CCCC4)c3)ccc21 ZINC000574886896 948548540 /nfs/dbraw/zinc/54/85/40/948548540.db2.gz SBHVGTSRISFQLS-UHFFFAOYSA-N 1 1 420.557 4.138 20 10 HICDMO