smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CN1C(=O)CN(C(=O)NCc2ccccc2)c2ccccc21)NCC[NH+]1CCCC1 ZINC000009588541 132322522 /nfs/dbraw/zinc/32/25/22/132322522.db2.gz XFPJZMXLZZMCLE-UHFFFAOYSA-N 1 0 435.528 1.961 50 0 IDAARO Cc1c(C)n2c(nc3c2c(=O)[nH]c(=O)n3C)n1CC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000010233905 132335097 /nfs/dbraw/zinc/33/50/97/132335097.db2.gz PMQDGXVXKRYGGW-UHFFFAOYSA-N 1 0 439.495 1.254 50 0 IDAARO CC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)[C@@H]2CCCCC[N@H+]2C)CCO3)CC1 ZINC000012131408 519585527 /nfs/dbraw/zinc/58/55/27/519585527.db2.gz URUGAWOKNYAXSX-QFIPXVFZSA-N 1 0 428.577 1.946 50 0 IDAARO CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](c2ccsc2)N2CC[NH+](C)CC2)cc1 ZINC000022766436 519721358 /nfs/dbraw/zinc/72/13/58/519721358.db2.gz VUIFUICDCZLKHT-LJQANCHMSA-N 1 0 429.546 1.750 50 0 IDAARO CC(=O)O[C@H]1C[C@H](O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)[C@@H](C[NH+]3CCCC3)[C@H]1[C@@H]2OC(C)=O ZINC000012653148 519758338 /nfs/dbraw/zinc/75/83/38/519758338.db2.gz MOYOJTXMWPQGBG-DUUHSWNQSA-N 1 0 437.533 1.530 50 0 biogenic IDAARO CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000022509240 519799413 /nfs/dbraw/zinc/79/94/13/519799413.db2.gz BCJYJZUTUBSWQN-GOSISDBHSA-N 1 0 437.591 1.837 50 0 IDAARO CCC[NH+]1CCN(CCCNC(=O)c2ccc(-n3ncc(C(=O)OC)c3N)cc2)CC1 ZINC000021652431 519857876 /nfs/dbraw/zinc/85/78/76/519857876.db2.gz HTJUKWWGWINDHX-UHFFFAOYSA-N 1 0 428.537 1.389 50 0 IDAARO CCCC[N@H+](CC)CCCNC(=O)C1=C(C)C(=O)OC12CCN(S(C)(=O)=O)CC2 ZINC000021887559 520476391 /nfs/dbraw/zinc/47/63/91/520476391.db2.gz KZNDSJNYGAAVMK-UHFFFAOYSA-N 1 0 429.583 1.282 50 0 biogenic IDAARO CC[NH+](CC)CCCNC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCC1)N(C)C2=O ZINC000021874142 520618074 /nfs/dbraw/zinc/61/80/74/520618074.db2.gz CDZOFSXNTZTODI-QFIPXVFZSA-N 1 0 432.569 1.248 50 0 IDAARO CCOC(=O)CCNC(=O)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000023359618 520684991 /nfs/dbraw/zinc/68/49/91/520684991.db2.gz RUNIQZJXGFIVCF-LJQANCHMSA-N 1 0 446.548 1.660 50 0 IDAARO CCOc1cc(C[NH2+]CCCN2CCOCC2)cc(Br)c1OCC(N)=O ZINC000016475604 520712592 /nfs/dbraw/zinc/71/25/92/520712592.db2.gz RFDHLPBETOSUSI-UHFFFAOYSA-N 1 0 430.343 1.524 50 0 IDAARO CCN(CC)S(=O)(=O)c1cc(NC(=O)C[NH2+]CCCN2CCOCC2)ccc1C ZINC000021539770 520785287 /nfs/dbraw/zinc/78/52/87/520785287.db2.gz RYLOSYDBJNPFNC-UHFFFAOYSA-N 1 0 426.583 1.276 50 0 IDAARO CCCc1cc(=O)n2nc(N3CCC(C(=O)NCCC[NH+]4CCCC4)CC3)sc2n1 ZINC000021166058 521346947 /nfs/dbraw/zinc/34/69/47/521346947.db2.gz ILIORXMAIFUFFB-UHFFFAOYSA-N 1 0 432.594 1.922 50 0 IDAARO CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000021887767 521663347 /nfs/dbraw/zinc/66/33/47/521663347.db2.gz JLBMTLWRDDYCDL-MRXNPFEDSA-N 1 0 441.594 1.425 50 0 biogenic IDAARO CC[NH+]1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)CC1 ZINC000020512884 521690052 /nfs/dbraw/zinc/69/00/52/521690052.db2.gz FXBUZNPVUFNIJU-UHFFFAOYSA-N 1 0 448.930 1.412 50 0 IDAARO CC[NH+]1CCN([C@@H](CNS(=O)(=O)c2ccc(OC)c(OC)c2)c2cccnc2)CC1 ZINC000022784431 521692679 /nfs/dbraw/zinc/69/26/79/521692679.db2.gz LGEWAZWXXKVYEK-IBGZPJMESA-N 1 0 434.562 1.756 50 0 IDAARO CC[NH+]1CCN([C@H](CNC(=O)C(=O)NCc2ccccc2Cl)c2cccnc2)CC1 ZINC000022784411 521694491 /nfs/dbraw/zinc/69/44/91/521694491.db2.gz FOKDZJFLIAONSS-HXUWFJFHSA-N 1 0 429.952 1.846 50 0 IDAARO COc1cc(C[N@H+](C)CCn2nc(C)cc2C)ccc1OC[C@H](O)CN1CCOCC1 ZINC000012713824 522352415 /nfs/dbraw/zinc/35/24/15/522352415.db2.gz OCEJWYYZICZTJZ-OAQYLSRUSA-N 1 0 432.565 1.712 50 0 IDAARO COc1cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc(Cl)c1OCC(N)=O ZINC000020228354 522455651 /nfs/dbraw/zinc/45/56/51/522455651.db2.gz HRBURIYXLKJQLL-UHFFFAOYSA-N 1 0 427.910 1.192 50 0 IDAARO COC(=O)C1CC[NH+](C[C@H](O)COc2ccc(CN(C)Cc3nccn3C)cc2)CC1 ZINC000012315939 522914952 /nfs/dbraw/zinc/91/49/52/522914952.db2.gz OMGUJVGLPZHXFY-FQEVSTJZSA-N 1 0 430.549 1.677 50 0 IDAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000020566865 523293007 /nfs/dbraw/zinc/29/30/07/523293007.db2.gz NKZXHBWKHXAHSY-CMCWBKRRSA-N 1 0 435.480 1.392 50 0 IDAARO CN1C(=O)c2cc(C(=O)NCC[NH+]3CCCC3)nn2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021875011 523730145 /nfs/dbraw/zinc/73/01/45/523730145.db2.gz QVJGCGXAVJEEDN-QFIPXVFZSA-N 1 0 430.553 1.002 50 0 IDAARO CC[C@H](C(=O)NCCC[NH+]1CCCCC1)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000035403328 523773064 /nfs/dbraw/zinc/77/30/64/523773064.db2.gz QOOKMHZDORLISH-HXUWFJFHSA-N 1 0 432.540 1.767 50 0 IDAARO COc1ccc(C)cc1S(=O)(=O)N1CCN(c2cc(N3CCOCC3)nc(C)[nH+]2)CC1 ZINC000021794699 523847033 /nfs/dbraw/zinc/84/70/33/523847033.db2.gz MPRVSVLCJVTFBL-UHFFFAOYSA-N 1 0 447.561 1.450 50 0 IDAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)NCCc2ccccc2)c2ccc3c(c2)OCO3)CC1 ZINC000022851273 523917207 /nfs/dbraw/zinc/91/72/07/523917207.db2.gz ICOAOIUDBLOQDC-FQEVSTJZSA-N 1 0 438.528 1.179 50 0 IDAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)c2ccc(F)cc2)CC1 ZINC000022796250 523917580 /nfs/dbraw/zinc/91/75/80/523917580.db2.gz XCJOKNRAVYGAPC-SFHVURJKSA-N 1 0 428.464 1.598 50 0 IDAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)c2ccc3c(c2)OCO3)CC1 ZINC000020614289 523919381 /nfs/dbraw/zinc/91/93/81/523919381.db2.gz YEBUEAKROUXQJU-GOSISDBHSA-N 1 0 446.454 1.737 50 0 IDAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)c2ccsc2)CC1 ZINC000022766219 523919940 /nfs/dbraw/zinc/91/99/40/523919940.db2.gz CUUMNMBYCNAAQF-QGZVFWFLSA-N 1 0 430.530 1.563 50 0 IDAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)c2ccsc2)CC1 ZINC000022766234 523920631 /nfs/dbraw/zinc/92/06/31/523920631.db2.gz FSSIIVVMBPFGEP-QGZVFWFLSA-N 1 0 430.530 1.198 50 0 IDAARO Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CC[NH+](C)CC2)cc1 ZINC000022797170 524490819 /nfs/dbraw/zinc/49/08/19/524490819.db2.gz QTGHIIINIARRPK-FQEVSTJZSA-N 1 0 438.528 1.445 50 0 IDAARO COc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CC[NH+](C)CC1 ZINC000020614343 524582454 /nfs/dbraw/zinc/58/24/54/524582454.db2.gz KKHZJOVRNUMQFU-SFHVURJKSA-N 1 0 440.500 1.467 50 0 IDAARO COc1ccc(OC)c(NC(=O)C(=O)NC[C@H](c2ccsc2)N2CC[NH+](C)CC2)c1 ZINC000022766154 524845757 /nfs/dbraw/zinc/84/57/57/524845757.db2.gz HYCXSWXRFOHZNW-GOSISDBHSA-N 1 0 432.546 1.809 50 0 IDAARO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCc2nnc(CNC(=O)[C@@H]3CCOC3)n2CC1 ZINC000012217764 524899778 /nfs/dbraw/zinc/89/97/78/524899778.db2.gz ZQNFBKVXAVPDLE-FUHWJXTLSA-N 1 0 441.532 1.396 50 0 IDAARO Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NC[C@H](c1ccco1)N(C)C ZINC000011997763 524918337 /nfs/dbraw/zinc/91/83/37/524918337.db2.gz SYHPBCYHTYINCP-OAHLLOKOSA-N 1 0 441.531 1.236 50 0 IDAARO Cc1ccccc1CNC(=O)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CC[NH+](C)CC1 ZINC000022851281 525149188 /nfs/dbraw/zinc/14/91/88/525149188.db2.gz OWYJKLNYEVWGDT-HXUWFJFHSA-N 1 0 438.528 1.445 50 0 IDAARO COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)N2CC[NH+](C)CC2)cc1 ZINC000022795508 525354775 /nfs/dbraw/zinc/35/47/75/525354775.db2.gz WNDXJHFBBBZHBW-IBGZPJMESA-N 1 0 440.500 1.467 50 0 IDAARO COc1cccc(C[N@H+]2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)c1OC ZINC000020999590 525953257 /nfs/dbraw/zinc/95/32/57/525953257.db2.gz VYHODTPFZVIISE-GOSISDBHSA-N 1 0 429.521 1.191 50 0 IDAARO COc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CC[NH+](C)CC2)c1 ZINC000020614310 526167233 /nfs/dbraw/zinc/16/72/33/526167233.db2.gz UXUIEOPNGYBGJG-LJQANCHMSA-N 1 0 440.500 1.467 50 0 IDAARO O[C@H](COCc1ccc2c(c1)OCO2)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022030646 526286012 /nfs/dbraw/zinc/28/60/12/526286012.db2.gz OVXQRVYYDKJFQZ-IBGZPJMESA-N 1 0 428.485 1.839 50 0 IDAARO Cc1noc(C)c1S(=O)(=O)N1CCC([C@H](C)C(=O)NCC[NH+]2CCCCC2)CC1 ZINC000035459675 526548742 /nfs/dbraw/zinc/54/87/42/526548742.db2.gz NXVOTPYILQLZMJ-HNNXBMFYSA-N 1 0 426.583 1.930 50 0 IDAARO NC(=O)C1CCN(C(=O)C[C@H]2C(=O)NCC[N@H+]2CC(c2ccccc2)c2ccccc2)CC1 ZINC000012459053 526854899 /nfs/dbraw/zinc/85/48/99/526854899.db2.gz HUPOOSLLFQWLPD-QHCPKHFHSA-N 1 0 448.567 1.733 50 0 IDAARO O=C(c1csc(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)c1)N1CCOCC1 ZINC000021884727 526905972 /nfs/dbraw/zinc/90/59/72/526905972.db2.gz OHOIDPABZDQHCJ-UHFFFAOYSA-N 1 0 427.592 1.860 50 0 IDAARO Cn1c(=O)cc(N2CCC[C@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)n(C)c1=O ZINC000035455454 527029633 /nfs/dbraw/zinc/02/96/33/527029633.db2.gz LNZZUZCBCDQFMD-IBGZPJMESA-N 1 0 439.560 1.081 50 0 IDAARO O=C1N(Cc2ccccn2)C(=O)C2(CC[NH+](C[C@@H](O)CO)CC2)N1CCc1ccccc1 ZINC000014532999 527039636 /nfs/dbraw/zinc/03/96/36/527039636.db2.gz BETPQUFOIITBLI-OAQYLSRUSA-N 1 0 438.528 1.276 50 0 IDAARO O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2C[C@@H]([NH2+]Cc3cnn(-c4ccccc4F)c3)C[C@@H]12 ZINC000014754525 527083005 /nfs/dbraw/zinc/08/30/05/527083005.db2.gz YIZVUFZBSIZZBF-XJABCFGWSA-N 1 0 449.486 1.517 50 0 IDAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ncccn3)CC2)=[NH+][C@@H]1c1ccc(OC)cc1 ZINC000009183796 535502150 /nfs/dbraw/zinc/50/21/50/535502150.db2.gz GYCCIRBUWKNYKX-ZWKOTPCHSA-N 1 0 438.488 1.014 50 0 IDAARO CC[NH+]1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc32)CC1 ZINC000001127287 555641970 /nfs/dbraw/zinc/64/19/70/555641970.db2.gz DMRQMBCUMCFAAS-UHFFFAOYSA-N 1 0 432.528 1.777 50 0 IDAARO CC[NH+](CC)C[C@H](O)CN1CCN(Cc2nc(C(=O)Nc3ccc(F)cc3)co2)CC1 ZINC000034677164 555795446 /nfs/dbraw/zinc/79/54/46/555795446.db2.gz ZISVWESEJVSZPG-IBGZPJMESA-N 1 0 433.528 1.886 50 0 IDAARO CC[NH+](CC)C[C@@H](O)CN1CCN(Cc2nc(C(=O)Nc3ccc(OC)cc3)co2)CC1 ZINC000034678424 555797127 /nfs/dbraw/zinc/79/71/27/555797127.db2.gz VUKKYZDTFKUXRG-LJQANCHMSA-N 1 0 445.564 1.756 50 0 IDAARO COc1ccc(CN2C(=O)C[C@@H](N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)C2=O)cc1 ZINC000004723389 556008198 /nfs/dbraw/zinc/00/81/98/556008198.db2.gz SUGIJCLEYOLNNH-LJQANCHMSA-N 1 0 428.533 1.129 50 0 IDAARO CC[NH+](CC)CCCN(CC(=O)NC1CCCCC1)C(=O)c1snc(C(N)=O)c1N ZINC000006511134 556092313 /nfs/dbraw/zinc/09/23/13/556092313.db2.gz XWZCPQKBCUSMPD-UHFFFAOYSA-N 1 0 438.598 1.447 50 0 IDAARO COC(=O)C1CC[NH+](C[C@H](O)COc2ccc(CN(C)Cc3cnccn3)cc2)CC1 ZINC000011817809 556359944 /nfs/dbraw/zinc/35/99/44/556359944.db2.gz PYSKCWYYXJSDLO-NRFANRHFSA-N 1 0 428.533 1.733 50 0 IDAARO COc1cccc([C@]2(CC(=O)N3CCC[C@@H](OC)C3)CC(=O)N(CC[NH+](C)C)C2=O)c1 ZINC000011911503 556375226 /nfs/dbraw/zinc/37/52/26/556375226.db2.gz KSHJFJQANMGBSR-XXBNENTESA-N 1 0 431.533 1.281 50 0 IDAARO COCCC(=O)N1CCC(Oc2ccc(C(=O)NCC[N@@H+]3CCC[C@@H](O)C3)cc2)CC1 ZINC000012024440 556387463 /nfs/dbraw/zinc/38/74/63/556387463.db2.gz IHWZYXFYBLVLFE-LJQANCHMSA-N 1 0 433.549 1.279 50 0 IDAARO O=C1N[C@@H](Cc2c[nH]cn2)C(=O)N2CCN(Cc3ccc(C[NH+]4CCCCC4)s3)C[C@H]12 ZINC000014532354 556420996 /nfs/dbraw/zinc/42/09/96/556420996.db2.gz QHDKMRKNCPOPFU-VQTJNVASSA-N 1 0 442.589 1.211 50 0 IDAARO [NH3+]CCCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc(C(F)(F)F)c3)CN2C1=O ZINC000014731422 556436688 /nfs/dbraw/zinc/43/66/88/556436688.db2.gz KOUVLFSIQUOGMX-KKUMJFAQSA-N 1 0 427.427 1.424 50 0 IDAARO [NH3+]CCCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccccc3C(F)(F)F)CN2C1=O ZINC000014740631 556438527 /nfs/dbraw/zinc/43/85/27/556438527.db2.gz YYBCDVPQHZTQMK-CQDKDKBSSA-N 1 0 427.427 1.424 50 0 IDAARO Cc1cc2n(n1)CCC(=O)N2[C@@H](C)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000022937191 556457955 /nfs/dbraw/zinc/45/79/55/556457955.db2.gz JLTCVFAOYPISGI-FQEVSTJZSA-N 1 0 438.576 1.641 50 0 IDAARO O=C(CCCn1nnnc1CN1CCOCC1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000014968711 556466522 /nfs/dbraw/zinc/46/65/22/556466522.db2.gz LYFIESJYDXCPDS-UHFFFAOYSA-N 1 0 433.582 1.082 50 0 IDAARO COc1cc(=O)n2c(c1C(=O)NCc1ccco1)CC[N@H+]([C@@H](C)CCn1cccn1)CC2 ZINC000014986921 556472942 /nfs/dbraw/zinc/47/29/42/556472942.db2.gz BOTDTDJRPICBFD-KRWDZBQOSA-N 1 0 439.516 1.913 50 0 IDAARO C[NH+](C)CCCNS(=O)(=O)c1ccsc1C(=O)NCCNC(=O)C1CCCC1 ZINC000072289559 556483841 /nfs/dbraw/zinc/48/38/41/556483841.db2.gz DXQWASRKAAYCBI-UHFFFAOYSA-N 1 0 430.596 1.014 50 0 IDAARO CCCCOc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 ZINC000013154618 556493311 /nfs/dbraw/zinc/49/33/11/556493311.db2.gz MZENLCXQLTWMKN-HXUWFJFHSA-N 1 0 445.541 1.977 50 0 IDAARO COC(=O)[C@H](CCSC)NCc1c(C(=O)N2CCC[N@H+](C)CC2)nc2sccn12 ZINC000015067678 556493923 /nfs/dbraw/zinc/49/39/23/556493923.db2.gz LLNSTCIWHPGZRK-AWEZNQCLSA-N 1 0 439.607 1.558 50 0 IDAARO CS(=O)(=O)N1CCC(C2CC[NH+]([C@@H]3CC(=O)N(Cc4ccccc4)C3=O)CC2)CC1 ZINC000015080485 556501131 /nfs/dbraw/zinc/50/11/31/556501131.db2.gz JZRYVFKQEBEEFQ-HXUWFJFHSA-N 1 0 433.574 1.698 50 0 IDAARO COc1ccc(S(N)(=O)=O)cc1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000031239777 556520845 /nfs/dbraw/zinc/52/08/45/556520845.db2.gz WHJSTTOOMUXKBB-UHFFFAOYSA-N 1 0 432.546 1.285 50 0 IDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl ZINC000013572642 556523224 /nfs/dbraw/zinc/52/32/24/556523224.db2.gz PBHPEXDLKNNCAD-DDOIHHOZSA-N 1 0 439.899 1.950 50 0 IDAARO COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCCC(=O)NCC[NH+]1CCCCC1)c2=O ZINC000032959256 556540932 /nfs/dbraw/zinc/54/09/32/556540932.db2.gz SZIVVLQSNKCSEK-UHFFFAOYSA-N 1 0 432.546 1.854 50 0 IDAARO Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc(C)[nH+]3)CC2)cc1C ZINC000033318407 556560935 /nfs/dbraw/zinc/56/09/35/556560935.db2.gz IQYXASVPDCCGPA-UHFFFAOYSA-N 1 0 431.562 1.749 50 0 IDAARO CSCC[C@@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000015973371 556570026 /nfs/dbraw/zinc/57/00/26/556570026.db2.gz RHYOENXZKCWYKI-RMNDMBTGSA-N 1 0 449.960 1.993 50 0 IDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2c1cc(C)cc2C ZINC000016024525 556575989 /nfs/dbraw/zinc/57/59/89/556575989.db2.gz AFTUVLJUYFUBFM-PUFAWVJESA-N 1 0 449.507 1.619 50 0 IDAARO Cc1ccc(NC(=O)c2nnc(CSCC(=O)NCCN3CC[NH+](C)CC3)s2)cc1 ZINC000032987103 556606961 /nfs/dbraw/zinc/60/69/61/556606961.db2.gz WUUNMFBSUVFTPF-UHFFFAOYSA-N 1 0 448.618 1.696 50 0 IDAARO COCCN(CCC[NH+](C)C)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000032923976 556648443 /nfs/dbraw/zinc/64/84/43/556648443.db2.gz HQPCFUPOPMBECS-ROUUACIJSA-N 1 0 441.594 1.525 50 0 IDAARO CC(C)[NH+](CCNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1)C(C)C ZINC000032928294 556656880 /nfs/dbraw/zinc/65/68/80/556656880.db2.gz OISUTVDRKCFMPW-LJQANCHMSA-N 1 0 441.594 1.951 50 0 IDAARO Cc1ccc(C(=O)N(CC[N@H+]2CCCC[C@@H]2C)CCS(=O)(=O)N2CCNCC2)cc1 ZINC000046141048 556692247 /nfs/dbraw/zinc/69/22/47/556692247.db2.gz IUOFWEWLOKPJKJ-FQEVSTJZSA-N 1 0 436.622 1.547 50 0 IDAARO C[C@@H]1CCCC[N@@H+]1CCN(CCS(=O)(=O)N1CCNCC1)C(=O)c1cccs1 ZINC000046141056 556692265 /nfs/dbraw/zinc/69/22/65/556692265.db2.gz RLTDXPNVXJRYKT-QGZVFWFLSA-N 1 0 428.624 1.300 50 0 IDAARO O=C(NC[C@@H]1CCCO1)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccccc2)c1 ZINC000033033670 556714479 /nfs/dbraw/zinc/71/44/79/556714479.db2.gz YGJPTTMLVAPLOJ-SFHVURJKSA-N 1 0 444.557 1.806 50 0 IDAARO COc1ccc([C@H](C[NH2+]Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)N2CCOCC2)cc1 ZINC000079108817 556737420 /nfs/dbraw/zinc/73/74/20/556737420.db2.gz NHNCQFRNEKBKHD-VXKWHMMOSA-N 1 0 448.589 1.589 50 0 IDAARO O=C(NC[C@H]1CC[N@H+](CCN2CCOCC2)C1)Nc1cccc(Cn2cccnc2=O)c1 ZINC000058368733 556783449 /nfs/dbraw/zinc/78/34/49/556783449.db2.gz FQMXHYUZQHTDNC-HXUWFJFHSA-N 1 0 440.548 1.067 50 0 IDAARO Cc1nc(N2CCN(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc(N(C)C)[nH+]1 ZINC000065362154 556834081 /nfs/dbraw/zinc/83/40/81/556834081.db2.gz ZSLRVPNXKIZLNH-UHFFFAOYSA-N 1 0 432.550 1.064 50 0 IDAARO COc1ccc(OC)c(NC(=O)N2CCN(c3nc(N4CCOCC4)cc(C)[nH+]3)CC2)c1 ZINC000065362994 556834715 /nfs/dbraw/zinc/83/47/15/556834715.db2.gz LUELACNPXGLFCL-UHFFFAOYSA-N 1 0 442.520 1.993 50 0 IDAARO O=C(CN1CCCC1=O)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000019744377 556890501 /nfs/dbraw/zinc/89/05/01/556890501.db2.gz VQCDBWGWDAVEQC-LJQANCHMSA-N 1 0 428.533 1.146 50 0 IDAARO CC[NH+]1CCN(CCNC(=O)CC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 ZINC000033254571 556890746 /nfs/dbraw/zinc/89/07/46/556890746.db2.gz HFYREOQFCZRIGO-UHFFFAOYSA-N 1 0 436.622 1.540 50 0 IDAARO CC[NH+]1CCN(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2cccc3ccccc32)CC1 ZINC000019821063 556924193 /nfs/dbraw/zinc/92/41/93/556924193.db2.gz WHPHGNMQACCPSN-NRFANRHFSA-N 1 0 437.544 1.133 50 0 IDAARO CC[NH+](CC)CCNS(=O)(=O)c1cc(-c2n[nH]cc2C(=O)N2CCOCC2)oc1C ZINC000097112396 556990637 /nfs/dbraw/zinc/99/06/37/556990637.db2.gz RWVREPAJKFOQJO-UHFFFAOYSA-N 1 0 439.538 1.071 50 0 IDAARO CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000072273077 557016222 /nfs/dbraw/zinc/01/62/22/557016222.db2.gz PJTOUBKREANBEB-UHFFFAOYSA-N 1 0 436.622 1.815 50 0 IDAARO CCOc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH2+]CC3)c(C(=O)N(C)C)c2)cc1 ZINC000033275442 557054418 /nfs/dbraw/zinc/05/44/18/557054418.db2.gz NLRGIWAGWJWPEA-UHFFFAOYSA-N 1 0 432.546 1.998 50 0 IDAARO Cc1cccc(C[NH+]2CCC(NC(=O)CCc3c(C)c4c(=O)[nH]n(C)c4[nH]c3=O)CC2)c1 ZINC000048333146 557068082 /nfs/dbraw/zinc/06/80/82/557068082.db2.gz FEDLLFXDXNDANP-UHFFFAOYSA-N 1 0 437.544 1.885 50 0 IDAARO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)c2cnccn2)c1 ZINC000023228886 557075249 /nfs/dbraw/zinc/07/52/49/557075249.db2.gz YWESPAMKZLKFAD-UHFFFAOYSA-N 1 0 446.577 1.901 50 0 IDAARO Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3cnn(-c4ccccc4)n3)CC2)[nH+]1 ZINC000049025923 557087968 /nfs/dbraw/zinc/08/79/68/557087968.db2.gz WEQCZWRXSVUXAG-UHFFFAOYSA-N 1 0 434.504 1.165 50 0 IDAARO COc1cccc(N2CCN(CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)CC2)c1 ZINC000023652899 557103106 /nfs/dbraw/zinc/10/31/06/557103106.db2.gz ASFVAXRNEWMYCC-UHFFFAOYSA-N 1 0 430.593 1.969 50 0 IDAARO CC(C)C[N@@H+]1CCO[C@@H](CSc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 ZINC000023701739 557107846 /nfs/dbraw/zinc/10/78/46/557107846.db2.gz TWKXAILBHAGNNW-QGZVFWFLSA-N 1 0 428.624 1.467 50 0 IDAARO CC[NH+]1CCN(c2ccc(NC(=O)CSc3nnc(C(F)(F)F)n3N)cc2)CC1 ZINC000014902390 557119590 /nfs/dbraw/zinc/11/95/90/557119590.db2.gz CLYQZWLRVABDBJ-UHFFFAOYSA-N 1 0 429.472 1.883 50 0 IDAARO CSCCc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000072235870 557200488 /nfs/dbraw/zinc/20/04/88/557200488.db2.gz RSYHZPQWPGQXPU-LJQANCHMSA-N 1 0 434.606 1.301 50 0 IDAARO CCOc1cccc(N2C(=O)C[C@@H](N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)C2=O)c1 ZINC000100089029 557240271 /nfs/dbraw/zinc/24/02/71/557240271.db2.gz MQUKBURVDUFVCO-LJQANCHMSA-N 1 0 428.533 1.523 50 0 IDAARO C[C@@H]([N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(C)(C)C ZINC000027135843 557257479 /nfs/dbraw/zinc/25/74/79/557257479.db2.gz CKFQGRZFRKSLPX-MRXNPFEDSA-N 1 0 439.578 1.657 50 0 IDAARO Cc1ccc(NC(=O)c2nnc(COCC(=O)NCCCN3CC[NH+](C)CC3)s2)cc1 ZINC000032987477 557321881 /nfs/dbraw/zinc/32/18/81/557321881.db2.gz ZSRNRNYKWFNOHE-UHFFFAOYSA-N 1 0 446.577 1.369 50 0 IDAARO CCOC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000104215872 557452897 /nfs/dbraw/zinc/45/28/97/557452897.db2.gz JVCFOTLYRLWUKM-MSOLQXFVSA-N 1 0 437.562 1.183 50 0 IDAARO COCCN(C[C@H]1CN(C[C@H](O)COC(C)(C)C)CCO1)C(=O)c1ccc(F)cc1 ZINC000105022813 557473094 /nfs/dbraw/zinc/47/30/94/557473094.db2.gz VPCBQLNSNZGVJW-VQTJNVASSA-N 1 0 426.529 1.791 50 0 IDAARO COCC(=O)N(CC[NH+](C)C)Cc1ccccc1OS(=O)(=O)c1ccc(OC)cc1 ZINC000044854733 557537669 /nfs/dbraw/zinc/53/76/69/557537669.db2.gz RYQYPHJDTYIZLR-UHFFFAOYSA-N 1 0 436.530 2.000 50 0 IDAARO COc1ccc(Cl)cc1S(=O)(=O)N(CCC(=O)N1CC[NH2+]CC1)C[C@H]1CCCO1 ZINC000045944366 557553122 /nfs/dbraw/zinc/55/31/22/557553122.db2.gz SAWXIIOEXFXVFY-MRXNPFEDSA-N 1 0 445.969 1.340 50 0 IDAARO CC(C)Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@H]2CCCO2)cc1 ZINC000045944371 557553189 /nfs/dbraw/zinc/55/31/89/557553189.db2.gz XGLOKVZVTDHMJU-HXUWFJFHSA-N 1 0 437.606 1.877 50 0 IDAARO COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)C2CCCCCC2)c1 ZINC000045974202 557556329 /nfs/dbraw/zinc/55/63/29/557556329.db2.gz NTOPNLFCCSFVFH-UHFFFAOYSA-N 1 0 439.578 1.849 50 0 IDAARO CC[NH+]1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2c(F)cccc2Cl)CC1 ZINC000019624606 560094172 /nfs/dbraw/zinc/09/41/72/560094172.db2.gz WZUBMARCOGTQAG-UHFFFAOYSA-N 1 0 434.903 1.402 50 0 biogenic,in-vitro IDAARO CC[NH+](CC)CCNC(=O)CCCCCn1c(=O)[nH]c2cc(C(=O)OC)ccc2c1=O ZINC000008680401 562961584 /nfs/dbraw/zinc/96/15/84/562961584.db2.gz BSIUGAYBALUZTD-UHFFFAOYSA-N 1 0 432.521 1.495 50 0 IDAARO CSCC[C@H](NC(=O)c1cccs1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000009409732 562970253 /nfs/dbraw/zinc/97/02/53/562970253.db2.gz XELGBTYOVSOPIJ-HNNXBMFYSA-N 1 0 433.603 1.986 50 0 IDAARO Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCCN3CC[NH+](C)CC3)cc2)cc1 ZINC000020211752 563024007 /nfs/dbraw/zinc/02/40/07/563024007.db2.gz FILRRCIGPIUKPM-UHFFFAOYSA-N 1 0 444.601 1.841 50 0 IDAARO COc1cc(=O)n2c(c1C(=O)N1CCN(C)CC1)CC[N@@H+](Cc1sccc1C)CC2 ZINC000299757389 568755553 /nfs/dbraw/zinc/75/55/53/568755553.db2.gz IZEBEGXMSCEROY-UHFFFAOYSA-N 1 0 430.574 1.673 50 0 IDAARO COc1ccc(CN2CC[NH+](C)CC2)cc1NC(=O)c1[nH]c(C)c(S(N)(=O)=O)c1C ZINC000084007962 568789689 /nfs/dbraw/zinc/78/96/89/568789689.db2.gz JOEDXJWCOQQKKU-UHFFFAOYSA-N 1 0 435.550 1.287 50 0 IDAARO COc1ccc(OC)c(S(=O)(=O)NCC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000084697487 568799978 /nfs/dbraw/zinc/79/99/78/568799978.db2.gz JTIFLUCFVMZVDN-OAHLLOKOSA-N 1 0 427.567 1.609 50 0 IDAARO Cc1cc2n(n1)CCC(=O)N2[C@H](C)C(=O)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000015728609 568813008 /nfs/dbraw/zinc/81/30/08/568813008.db2.gz HELLOQBFJPMCJJ-GOSISDBHSA-N 1 0 442.539 1.784 50 0 IDAARO Cc1cc2n(n1)CCC(=O)N2[C@H](C)C(=O)NCCCN1CCC([NH+]2CCCCC2)CC1 ZINC000015728613 568813115 /nfs/dbraw/zinc/81/31/15/568813115.db2.gz HINVSTIDGAHPNQ-LJQANCHMSA-N 1 0 430.597 1.773 50 0 IDAARO O=C(CCCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21)NCCC[NH+]1CCCC1 ZINC000085645090 568830064 /nfs/dbraw/zinc/83/00/64/568830064.db2.gz ZODIZYNUUDGFJE-UHFFFAOYSA-N 1 0 448.593 1.598 50 0 IDAARO O=C1Nc2ccccc2[C@]12[NH2+][C@@H](Cc1ccccc1)[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000016026499 568864494 /nfs/dbraw/zinc/86/44/94/568864494.db2.gz QWTPFGWYUWQUJX-BYPPRKSQSA-N 1 0 431.492 1.829 50 0 biogenic IDAARO CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(Br)cc2)CC1 ZINC000006194041 568876645 /nfs/dbraw/zinc/87/66/45/568876645.db2.gz CXQIGSXJHOOMHL-UHFFFAOYSA-N 1 0 447.337 1.376 50 0 IDAARO CN1CC[N@H+](CCCNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)[C@@H](c2ccccc2)C1 ZINC000229540821 568886755 /nfs/dbraw/zinc/88/67/55/568886755.db2.gz PJSFWMUDPZRYJK-QZTJIDSGSA-N 1 0 426.483 1.892 50 0 IDAARO COCCN(C(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000016475104 568908833 /nfs/dbraw/zinc/90/88/33/568908833.db2.gz NIDZFJWELBEIGY-IAGOWNOFSA-N 1 0 443.548 1.124 50 0 IDAARO Cn1nc(C(=O)Nc2ccccc2)c2c1CCN(C(=O)CCC(=O)NCC[NH+](C)C)C2 ZINC000064565614 568932533 /nfs/dbraw/zinc/93/25/33/568932533.db2.gz RJXRGBPQXMYHJH-UHFFFAOYSA-N 1 0 426.521 1.015 50 0 IDAARO CCOCCn1c(N2CC[NH+](Cc3cccc(C)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000004316559 568939833 /nfs/dbraw/zinc/93/98/33/568939833.db2.gz XDARRFGABGRLIF-UHFFFAOYSA-N 1 0 426.521 1.090 50 0 IDAARO Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)NCCC[N@H+]4CCC[C@@H](C)C4)C3)sc2n1 ZINC000169678768 568989984 /nfs/dbraw/zinc/98/99/84/568989984.db2.gz NDTWVKMOYUXMHI-WBVHZDCISA-N 1 0 432.594 1.914 50 0 IDAARO CCn1c2c(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)cnn2c(=O)c2c1CC[NH2+]C2 ZINC000064966229 569001122 /nfs/dbraw/zinc/00/11/22/569001122.db2.gz LKFOQABSIZBVBK-UHFFFAOYSA-N 1 0 440.935 1.777 50 0 IDAARO Cn1c(=O)c(C(=O)NCC[N@H+](C)Cc2ccccc2)nn(-c2ccc(Cl)cc2)c1=O ZINC000064966869 569001555 /nfs/dbraw/zinc/00/15/55/569001555.db2.gz LIAQTQYXOLRPAE-UHFFFAOYSA-N 1 0 427.892 1.446 50 0 IDAARO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3nn(-c4ccc(C)cc4)c(=O)n(C)c3=O)C2)cc1 ZINC000064966797 569001566 /nfs/dbraw/zinc/00/15/66/569001566.db2.gz MZXOLKPFAYISFH-FQEVSTJZSA-N 1 0 447.539 1.800 50 0 IDAARO CC[NH+]1CCN(CCCNC(=O)CC2CCN(S(=O)(=O)c3cccs3)CC2)CC1 ZINC000065061725 569096758 /nfs/dbraw/zinc/09/67/58/569096758.db2.gz SIUKLTGDXBLFKE-UHFFFAOYSA-N 1 0 442.651 1.683 50 0 IDAARO COc1c2c(c(CNC(=O)c3cccc(NS(C)(=O)=O)c3)c3c1C[N@H+](C)CC3)OCO2 ZINC000524730278 569125891 /nfs/dbraw/zinc/12/58/91/569125891.db2.gz CZTRELDZQNPYQP-UHFFFAOYSA-N 1 0 447.513 1.713 50 0 biogenic IDAARO Cc1c2ccc(O)cc2oc(=O)c1CC(=O)NCC[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000524732237 569126835 /nfs/dbraw/zinc/12/68/35/569126835.db2.gz RDJLNTNYJQEVSE-SJORKVTESA-N 1 0 449.507 1.747 50 0 biogenic IDAARO CCC[NH+]1CCN(C(=O)[C@H]2CCc3nc(N4CCN(C(=O)CC)CC4)sc3C2)CC1 ZINC000065273781 569128263 /nfs/dbraw/zinc/12/82/63/569128263.db2.gz GELHAIVKADVLBF-KRWDZBQOSA-N 1 0 433.622 1.861 50 0 IDAARO Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)[nH+]1 ZINC000017012740 569170579 /nfs/dbraw/zinc/17/05/79/569170579.db2.gz FTUSAMZCDFMEQC-UHFFFAOYSA-N 1 0 434.541 1.187 50 0 IDAARO Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)[nH+]1 ZINC000017053068 569172063 /nfs/dbraw/zinc/17/20/63/569172063.db2.gz UDJDSRMUNNSABW-UHFFFAOYSA-N 1 0 431.562 1.749 50 0 IDAARO CC(C)(C)OC[C@H](O)C[NH+]1CCN(CCNS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000252494251 569187814 /nfs/dbraw/zinc/18/78/14/569187814.db2.gz NPQNYDMRINPOHT-OAQYLSRUSA-N 1 0 449.617 1.912 50 0 IDAARO CN1CC[N@H+](CCCNC(=O)CNC(=O)c2ccc3c(c2)OCO3)[C@@H](c2ccccc2)C1 ZINC000195528719 569204168 /nfs/dbraw/zinc/20/41/68/569204168.db2.gz BARKDVHMEYZLPF-HXUWFJFHSA-N 1 0 438.528 1.640 50 0 IDAARO CCn1cc(S(=O)(=O)N2CCC3(CC2)C[C@@H]([NH+]2CCN(C(C)C)CC2)CCO3)cn1 ZINC000581819774 569211548 /nfs/dbraw/zinc/21/15/48/569211548.db2.gz KDIURPQZBWGWSQ-IBGZPJMESA-N 1 0 439.626 1.631 50 0 IDAARO CCn1cc(S(=O)(=O)N2CCC3(CC2)C[C@H]([NH+]2CCN(C(C)C)CC2)CCO3)cn1 ZINC000581819775 569211573 /nfs/dbraw/zinc/21/15/73/569211573.db2.gz KDIURPQZBWGWSQ-LJQANCHMSA-N 1 0 439.626 1.631 50 0 IDAARO CC(=O)Nc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]C2CCCCCC2)cc1 ZINC000013375889 569315214 /nfs/dbraw/zinc/31/52/14/569315214.db2.gz CEGINCNJRQNKAQ-OALUTQOASA-N 1 0 428.576 1.897 50 0 IDAARO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000079060981 569323903 /nfs/dbraw/zinc/32/39/03/569323903.db2.gz ILLGNPXGINGWKR-OWCLPIDISA-N 1 0 429.608 1.772 50 0 IDAARO CC[NH+]1CCN(CCNC(=O)c2ccc3c(c2)[nH]c(=O)n(CCc2ccccc2)c3=O)CC1 ZINC000020117015 569335075 /nfs/dbraw/zinc/33/50/75/569335075.db2.gz LABRZYJPPZHDEK-UHFFFAOYSA-N 1 0 449.555 1.300 50 0 IDAARO COc1ccc(S(=O)(=O)N2CCN(c3cn[nH+]c(N4CCCC4)c3)CC2)cc1OC ZINC000096121064 569385022 /nfs/dbraw/zinc/38/50/22/569385022.db2.gz RKWRVDFOKKRFOL-UHFFFAOYSA-N 1 0 433.534 1.605 50 0 IDAARO COc1cn(CC(=O)N2CCN(c3ccccn3)CC2)c(C[NH+]2CCCCCC2)cc1=O ZINC000096224236 569387277 /nfs/dbraw/zinc/38/72/77/569387277.db2.gz DFNWSGZMLIVVMS-UHFFFAOYSA-N 1 0 439.560 1.977 50 0 IDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCCC(C)C)N(C)C2=O ZINC000021530965 569388043 /nfs/dbraw/zinc/38/80/43/569388043.db2.gz JZVHDEAURCVOLW-OPAMFIHVSA-N 1 0 432.569 1.104 50 0 IDAARO CCc1nc2cc(N3CCC[C@@H](C(=O)NCCN4CC[NH+](C)CC4)C3)cnc2nc1CC ZINC000096387361 569398896 /nfs/dbraw/zinc/39/88/96/569398896.db2.gz ZPWULXRHFTZFDU-GOSISDBHSA-N 1 0 439.608 1.730 50 0 IDAARO COc1ccc([C@H]2CC(=O)Nc3nc(N4CC[NH+](C)CC4)[nH]c(=O)c32)c(OC)c1OC ZINC000670416124 569403136 /nfs/dbraw/zinc/40/31/36/569403136.db2.gz OGKNMGDZVLYJOO-CYBMUJFWSA-N 1 0 429.477 1.434 50 0 IDAARO Cn1c2c(nc1N1CC[NH+](Cc3ccccc3)CC1)n(C)c(=O)n(Cc1ccccc1)c2=O ZINC000056966681 569428623 /nfs/dbraw/zinc/42/86/23/569428623.db2.gz GQJMGRUOVCNKIF-UHFFFAOYSA-N 1 0 444.539 1.804 50 0 IDAARO CCC[NH+](CCC)CCNC(=O)CNC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000003042339 569438526 /nfs/dbraw/zinc/43/85/26/569438526.db2.gz SPJHPKMJCUPFOM-MSOLQXFVSA-N 1 0 433.622 1.380 50 0 IDAARO C[NH+](C)CCCNC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC000003218304 569441926 /nfs/dbraw/zinc/44/19/26/569441926.db2.gz MEYDBDNAFYKHCS-UHFFFAOYSA-N 1 0 434.356 1.152 50 0 IDAARO CN(C)C(=O)N1CCC(C(=O)N[C@H]2C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)CC1 ZINC000670456220 569458474 /nfs/dbraw/zinc/45/84/74/569458474.db2.gz VIWIZIJZUAHLBT-MMPATGFWSA-N 1 0 425.577 1.064 50 0 IDAARO CN(C(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12)C1CC[NH+](C)CC1 ZINC000004272224 569461721 /nfs/dbraw/zinc/46/17/21/569461721.db2.gz RFEJRVBQCUVQSN-UHFFFAOYSA-N 1 0 426.517 1.235 50 0 IDAARO COc1cc(OC)cc(C(=O)NCCC(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)c1 ZINC000008764663 569474631 /nfs/dbraw/zinc/47/46/31/569474631.db2.gz IVHLHVAMIOOUPC-UHFFFAOYSA-N 1 0 427.505 1.210 50 0 biogenic IDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000008791729 569476271 /nfs/dbraw/zinc/47/62/71/569476271.db2.gz WDTCIIAPTUSGIT-NAZDKBRTSA-N 1 0 444.491 1.777 50 0 biogenic IDAARO CCCCOc1ccc(C(=O)NCC(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)cc1 ZINC000008791916 569476332 /nfs/dbraw/zinc/47/63/32/569476332.db2.gz COJLTGYVEHCVAI-UHFFFAOYSA-N 1 0 425.533 1.982 50 0 biogenic IDAARO Nc1ccc(C(=O)NCCCN2CC[NH+](CCCNC(=O)c3ccc(N)cc3)CC2)cc1 ZINC000039931191 569481979 /nfs/dbraw/zinc/48/19/79/569481979.db2.gz NZRUGNUHZMVZTM-UHFFFAOYSA-N 1 0 438.576 1.409 50 0 IDAARO CN1CC[N@H+](CCCNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)[C@H](c2ccccc2)C1 ZINC000040081493 569486624 /nfs/dbraw/zinc/48/66/24/569486624.db2.gz PJSFWMUDPZRYJK-MSOLQXFVSA-N 1 0 426.483 1.892 50 0 IDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC)c(N2CCCCS2(=O)=O)c1 ZINC000040286526 569498125 /nfs/dbraw/zinc/49/81/25/569498125.db2.gz LVQZNTKFSDVMLO-INIZCTEOSA-N 1 0 438.550 1.164 50 0 IDAARO Cc1cn2c(nc3c2c(=O)n(Cc2c(F)cccc2Cl)c(=O)n3C)n1CC[NH+](C)C ZINC000009059658 569499383 /nfs/dbraw/zinc/49/93/83/569499383.db2.gz DQTCRIZKKUEQBQ-UHFFFAOYSA-N 1 0 432.887 1.860 50 0 IDAARO COc1cccc(-c2nc(SCC[NH+]3CCCC3)c3c(=O)n(C)c(=O)n(C)c3n2)c1 ZINC000009517570 569543599 /nfs/dbraw/zinc/54/35/99/569543599.db2.gz XPPRBZNSAJSKFP-UHFFFAOYSA-N 1 0 427.530 1.891 50 0 IDAARO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000009620185 569553451 /nfs/dbraw/zinc/55/34/51/569553451.db2.gz ZGDKKGHVOGFZRQ-HXUWFJFHSA-N 1 0 434.537 1.834 50 0 IDAARO CN(CC(=O)NCc1ccccc1C[NH+]1CCCC1)C1=NS(=O)(=O)c2ccccc21 ZINC000009713076 569562474 /nfs/dbraw/zinc/56/24/74/569562474.db2.gz PWJPEWVZZYCWSC-UHFFFAOYSA-N 1 0 426.542 1.980 50 0 IDAARO COC(=O)c1ccc(NC(=O)CSc2nc(=O)n(CC[NH+](C)C)c3c2CCC3)cc1 ZINC000009745356 569565653 /nfs/dbraw/zinc/56/56/53/569565653.db2.gz AJJUHADVMGDEAK-UHFFFAOYSA-N 1 0 430.530 1.811 50 0 IDAARO Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)NCC[NH+](C)C)c1 ZINC000009748979 569565931 /nfs/dbraw/zinc/56/59/31/569565931.db2.gz ROEWBANWDGIKAO-SFHVURJKSA-N 1 0 438.594 1.031 50 0 IDAARO CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCCC[NH+]1CCCCC1)n2C ZINC000010086933 569577678 /nfs/dbraw/zinc/57/76/78/569577678.db2.gz LWRFOYRQGCITTH-UHFFFAOYSA-N 1 0 435.594 1.748 50 0 IDAARO Cc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)n1-c1ccccc1OCC[NH+]1CCCCC1 ZINC000010102940 569577848 /nfs/dbraw/zinc/57/78/48/569577848.db2.gz MEJLQMLVGIVPCA-UHFFFAOYSA-N 1 0 436.516 1.849 50 0 IDAARO O=C(CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000045974368 569586945 /nfs/dbraw/zinc/58/69/45/569586945.db2.gz NXOXXNWFUMRALY-OAHLLOKOSA-N 1 0 446.367 1.051 50 0 IDAARO C=CCN1C2=C(C(=O)N(CC(=O)NCC[NH+](C)C)C2)[C@@H](c2ccc(C)cc2C)NC1=O ZINC000035971851 569587770 /nfs/dbraw/zinc/58/77/70/569587770.db2.gz DVZJVWFLSQRNSH-OAQYLSRUSA-N 1 0 425.533 1.330 50 0 IDAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ncccn3)CC2)=[NH+][C@@H]1c1ccc(F)cc1 ZINC000009477235 132318922 /nfs/dbraw/zinc/31/89/22/132318922.db2.gz FABFWRPBJOPIJF-IAGOWNOFSA-N 1 0 426.452 1.144 50 0 IDAARO CC(C)[NH+](CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C ZINC000022623457 519647404 /nfs/dbraw/zinc/64/74/04/519647404.db2.gz LVQDMOOCCSIFOR-GOSISDBHSA-N 1 0 439.578 1.846 50 0 IDAARO CCC[NH+]1CCN(C(=O)CN2c3cc(C(=O)N(C)C)ccc3N3CCCC[C@H]3C2=O)CC1 ZINC000021941954 519855868 /nfs/dbraw/zinc/85/58/68/519855868.db2.gz RPJVWRBSXMHCSP-FQEVSTJZSA-N 1 0 441.576 1.648 50 0 IDAARO CC[NH+](CC)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(C)cc1 ZINC000020480205 520692422 /nfs/dbraw/zinc/69/24/22/520692422.db2.gz YFBXTOQVSDKXQD-INIZCTEOSA-N 1 0 444.536 1.338 50 0 IDAARO CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCCN3CC[NH+](CC)CC3)n2C)c1 ZINC000035561083 520815589 /nfs/dbraw/zinc/81/55/89/520815589.db2.gz MMFNFEQEOPDWGP-UHFFFAOYSA-N 1 0 449.621 1.576 50 0 IDAARO CCOC(=O)N1CCN(c2c(=O)c(=O)c2NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000020379093 520961708 /nfs/dbraw/zinc/96/17/08/520961708.db2.gz APHOCDSLJZPTEH-UHFFFAOYSA-N 1 0 426.517 1.638 50 0 aggregator IDAARO CCN(CC[NH+]1CCCC1)C(=O)C[C@H]1C(=O)NCCN1Cc1cc(OC)cc(OC)c1 ZINC000012298045 521044901 /nfs/dbraw/zinc/04/49/01/521044901.db2.gz XZBRGIRUQYHTAH-NRFANRHFSA-N 1 0 432.565 1.339 50 0 IDAARO CCN(CC[NH+]1CCCC1)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(OC)c1OC ZINC000012592205 521045916 /nfs/dbraw/zinc/04/59/16/521045916.db2.gz ROSVIZRRCZYWFK-IBGZPJMESA-N 1 0 432.565 1.339 50 0 IDAARO CCN(C[C@H]1CCCO1)C(=O)C[C@]1(c2ccccc2F)CC(=O)N(CC[NH+](C)C)C1=O ZINC000012098589 521263297 /nfs/dbraw/zinc/26/32/97/521263297.db2.gz LHWBNWRYPLNCIH-UZUQRXQVSA-N 1 0 433.524 1.802 50 0 IDAARO CCN1C(=O)N(CC(N)=O)C(=O)C12CC[NH+](Cc1cnc(-c3ccccc3)s1)CC2 ZINC000014754864 521524032 /nfs/dbraw/zinc/52/40/32/521524032.db2.gz LIYJWIRWZUIEEL-UHFFFAOYSA-N 1 0 427.530 1.914 50 0 IDAARO CCOC(=O)c1cnn(-c2ccc(C(=O)NCCCN3CC[NH+](CC)CC3)cc2)c1N ZINC000021652075 521579386 /nfs/dbraw/zinc/57/93/86/521579386.db2.gz ZPLHBNLEXNUEAQ-UHFFFAOYSA-N 1 0 428.537 1.389 50 0 IDAARO CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[NH+]1CCCCC1 ZINC000021887752 521662437 /nfs/dbraw/zinc/66/24/37/521662437.db2.gz YBPXLMRLFGYAEK-UHFFFAOYSA-N 1 0 427.567 1.036 50 0 biogenic IDAARO CC[NH+]1CCN(CCCNC(=O)[C@@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)CC1 ZINC000020466592 521681434 /nfs/dbraw/zinc/68/14/34/521681434.db2.gz NXYWJBPZFLAVOL-QGZVFWFLSA-N 1 0 449.625 1.025 50 0 IDAARO CC[NH+]1CCN(CCNC(=O)[C@H]2CCCN(C(=O)c3[nH]c(C)c(C(=O)OC)c3C)C2)CC1 ZINC000035482228 521682714 /nfs/dbraw/zinc/68/27/14/521682714.db2.gz CFQSDHBFPFQZOQ-SFHVURJKSA-N 1 0 447.580 1.024 50 0 IDAARO CC[NH+]1CCN(c2ccc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nn2)CC1 ZINC000012276898 521698617 /nfs/dbraw/zinc/69/86/17/521698617.db2.gz NNTYPCBWQXWOCG-UHFFFAOYSA-N 1 0 434.541 1.269 50 0 IDAARO COC[C@@H]1CCCN(C(=O)C[C@]2(c3ccccc3F)CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000012166518 522447046 /nfs/dbraw/zinc/44/70/46/522447046.db2.gz WIMWKHGBFMDMTC-UZUQRXQVSA-N 1 0 433.524 1.659 50 0 IDAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@@]21C(=O)Nc2ccc(F)cc21 ZINC000020565758 523293061 /nfs/dbraw/zinc/29/30/61/523293061.db2.gz SCWXIHJWDBJOSQ-MTXNFPGFSA-N 1 0 437.471 1.825 50 0 IDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@]21c2cc(C)cc(C)c2NC1=O ZINC000020548951 523807453 /nfs/dbraw/zinc/80/74/53/523807453.db2.gz OTEVWJFZAPLMQH-MVOHMCPASA-N 1 0 433.508 1.913 50 0 IDAARO C[NH+]1CCN(CCNC(=O)[C@@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)CC1 ZINC000020556959 523901231 /nfs/dbraw/zinc/90/12/31/523901231.db2.gz DBOLLVRCWCZTER-GOSISDBHSA-N 1 0 440.596 1.133 50 0 IDAARO C[NH+]1CCN(Cc2ccc(CNC(=O)c3ccc(=O)n(Cc4ccccc4)n3)cc2)CC1 ZINC000058183106 523910884 /nfs/dbraw/zinc/91/08/84/523910884.db2.gz GJZPBTRPFMZACL-UHFFFAOYSA-N 1 0 431.540 1.969 50 0 IDAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2)c2ccc3c(c2)OCO3)CC1 ZINC000022851262 523919884 /nfs/dbraw/zinc/91/98/84/523919884.db2.gz LFEZKKPDFGVIIF-GOSISDBHSA-N 1 0 428.464 1.598 50 0 IDAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)NCc2ccccc2F)c2ccc3c(c2)OCO3)CC1 ZINC000022797293 523920105 /nfs/dbraw/zinc/92/01/05/523920105.db2.gz MKBACFMYQLCLDS-LJQANCHMSA-N 1 0 442.491 1.276 50 0 IDAARO CCc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CC[NH+](CC)CC4)nn3)CC2)cc1 ZINC000020555393 524012504 /nfs/dbraw/zinc/01/25/04/524012504.db2.gz QLJHIYBYAMXHJG-UHFFFAOYSA-N 1 0 444.605 1.692 50 0 IDAARO CN(C)C(=O)c1ccc2c(c1)N(CC(=O)NCC[NH+]1CCCC1)C(=O)[C@@H]1CCCCN21 ZINC000021649045 524026251 /nfs/dbraw/zinc/02/62/51/524026251.db2.gz VSHLKCAYASWAKU-IBGZPJMESA-N 1 0 427.549 1.306 50 0 IDAARO COc1ccc(CN2CCN(CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)CC2)cc1 ZINC000022781767 524032352 /nfs/dbraw/zinc/03/23/52/524032352.db2.gz KHLBZWHJLWVLOE-UHFFFAOYSA-N 1 0 444.620 1.964 50 0 IDAARO COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)cc1OC ZINC000022796371 524462403 /nfs/dbraw/zinc/46/24/03/524462403.db2.gz JNFKPNBBQHKNQT-LJQANCHMSA-N 1 0 444.507 1.886 50 0 IDAARO Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCN1CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC000022816413 525943847 /nfs/dbraw/zinc/94/38/47/525943847.db2.gz FKHLYFXJSMVIQW-UHFFFAOYSA-N 1 0 449.559 1.419 50 0 IDAARO COc1cccc(C[N@H+]2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)c1OC ZINC000020999589 525954291 /nfs/dbraw/zinc/95/42/91/525954291.db2.gz VYHODTPFZVIISE-SFHVURJKSA-N 1 0 429.521 1.191 50 0 IDAARO Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)NCCC[N@H+]4CCC[C@H](C)C4)C3)sc2n1 ZINC000021148495 526146402 /nfs/dbraw/zinc/14/64/02/526146402.db2.gz NDTWVKMOYUXMHI-DOTOQJQBSA-N 1 0 432.594 1.914 50 0 IDAARO C[C@@H](c1ccon1)N(C)C(=O)C[C@]1(c2ccccc2F)CC(=O)N(CC[NH+](C)C)C1=O ZINC000012161293 526152720 /nfs/dbraw/zinc/15/27/20/526152720.db2.gz WQTQCAHZWXJGCE-OYHNWAKOSA-N 1 0 430.480 1.982 50 0 IDAARO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000012510578 526550141 /nfs/dbraw/zinc/55/01/41/526550141.db2.gz MAEBUDUORRTHNI-LJQANCHMSA-N 1 0 447.561 1.835 50 0 IDAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012677156 526580058 /nfs/dbraw/zinc/58/00/58/526580058.db2.gz AORSJTXAVVLNSA-LJQANCHMSA-N 1 0 433.530 1.867 50 0 IDAARO O=C(CCc1cccnc1)NCc1nnc2n1CC[N@@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000012151813 526618111 /nfs/dbraw/zinc/61/81/11/526618111.db2.gz HOZJXXVWLAAJQO-UHFFFAOYSA-N 1 0 448.527 1.752 50 0 IDAARO NC(=O)C1CCN(C(=O)C[C@@H]2C(=O)NCC[N@H+]2CC(c2ccccc2)c2ccccc2)CC1 ZINC000012459054 526855134 /nfs/dbraw/zinc/85/51/34/526855134.db2.gz HUPOOSLLFQWLPD-HSZRJFAPSA-N 1 0 448.567 1.733 50 0 IDAARO O=C(C[NH2+]CCCN1CCOCC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000012587869 526881010 /nfs/dbraw/zinc/88/10/10/526881010.db2.gz UMOWACQENIKNMK-UHFFFAOYSA-N 1 0 430.471 1.792 50 0 IDAARO Cn1c2ccccc2n(CC(=O)NCCCN2CCC([NH+]3CCCCC3)CC2)c(=O)c1=O ZINC000021943775 527111007 /nfs/dbraw/zinc/11/10/07/527111007.db2.gz PWZAGPWKVTWNQU-UHFFFAOYSA-N 1 0 441.576 1.157 50 0 IDAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ncccn3)CC2)=[NH+][C@H]1c1ccc(F)cc1 ZINC000009477234 535502189 /nfs/dbraw/zinc/50/21/89/535502189.db2.gz FABFWRPBJOPIJF-IRXDYDNUSA-N 1 0 426.452 1.144 50 0 IDAARO CC(C)[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)N3CCN(c4ccccc4)CC3)co2)CC1 ZINC000034677724 555795944 /nfs/dbraw/zinc/79/59/44/555795944.db2.gz BODMMEXCSRDPCQ-JOCHJYFZSA-N 1 0 441.576 1.772 50 0 IDAARO COCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH2+]Cc1ccc(OC)cc1 ZINC000014066288 556359220 /nfs/dbraw/zinc/35/92/20/556359220.db2.gz YBBRRAMUOKZJIL-UHFFFAOYSA-N 1 0 435.502 1.696 50 0 IDAARO COc1cccc([C@]2(CC(=O)N3CCC[C@H](OC)C3)CC(=O)N(CC[NH+](C)C)C2=O)c1 ZINC000011911504 556375301 /nfs/dbraw/zinc/37/53/01/556375301.db2.gz KSHJFJQANMGBSR-CVDCTZTESA-N 1 0 431.533 1.281 50 0 IDAARO O=C(NCCCN1CCOCC1)C1CCN(c2cnc(N3CCSCC3)nc2)CC1 ZINC000065166836 556413291 /nfs/dbraw/zinc/41/32/91/556413291.db2.gz QYUPFMDMDZKQSR-UHFFFAOYSA-N 1 0 434.610 1.085 50 0 IDAARO CC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CC[NH+](Cc1cccc(OCCO)c1)CC2 ZINC000014530451 556419946 /nfs/dbraw/zinc/41/99/46/556419946.db2.gz VDZBRVAVDDTIDY-UHFFFAOYSA-N 1 0 446.548 1.188 50 0 IDAARO COC(=O)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3cnn(C)c3)CC2)C1=O ZINC000014539720 556424951 /nfs/dbraw/zinc/42/49/51/556424951.db2.gz VDOYJEMDGSIZJQ-UHFFFAOYSA-N 1 0 439.516 1.435 50 0 IDAARO COCCN1C(=O)N(CC(=O)OC)C(=O)C12CC[NH+](Cc1cc3ccccc3o1)CC2 ZINC000014540264 556425249 /nfs/dbraw/zinc/42/52/49/556425249.db2.gz NDMHDYAYNIDTBG-UHFFFAOYSA-N 1 0 429.473 1.851 50 0 IDAARO CC1CC[NH+](CCCNC(=O)c2ccc(NC(=O)CSc3nnnn3C)cc2)CC1 ZINC000028070034 556443325 /nfs/dbraw/zinc/44/33/25/556443325.db2.gz BIRFGDZHIMSQLI-UHFFFAOYSA-N 1 0 431.566 1.793 50 0 IDAARO COc1ccc(C[N@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)c(OC)c1 ZINC000014993403 556476098 /nfs/dbraw/zinc/47/60/98/556476098.db2.gz UTANVYQHAYXUJC-IBGZPJMESA-N 1 0 437.566 1.600 50 0 IDAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000029838739 556483766 /nfs/dbraw/zinc/48/37/66/556483766.db2.gz QOTLJMABGNFHTC-UHFFFAOYSA-N 1 0 443.569 1.886 50 0 IDAARO COc1cc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)ccc1OCC(=O)N1CCOCC1 ZINC000013146546 556488696 /nfs/dbraw/zinc/48/86/96/556488696.db2.gz RRLMLRNXWXMOMB-HXUWFJFHSA-N 1 0 441.528 1.966 50 0 IDAARO Cc1cc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3Cc3ccccc3F)CC2)cc(C)[nH+]1 ZINC000015073965 556498010 /nfs/dbraw/zinc/49/80/10/556498010.db2.gz NGCZAGYTOGYLSM-JOCHJYFZSA-N 1 0 439.535 1.877 50 0 IDAARO O=C(CCC1CCN(C(=O)Cn2cnnn2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000015079568 556500786 /nfs/dbraw/zinc/50/07/86/556500786.db2.gz LFENAMIFGUCILH-HXUWFJFHSA-N 1 0 425.537 1.083 50 0 IDAARO Cc1c2c(=O)[nH]n(C)c2[nH]c(=O)c1CCC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000030637420 556500797 /nfs/dbraw/zinc/50/07/97/556500797.db2.gz JTYCGQGQPIVXLT-UHFFFAOYSA-N 1 0 437.544 1.749 50 0 IDAARO CC(C)[C@@H](C(=O)OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)[NH+]1CCCC1 ZINC000072294133 556506467 /nfs/dbraw/zinc/50/64/67/556506467.db2.gz IYKTYJTWAYQXGL-FQEVSTJZSA-N 1 0 440.562 1.750 50 0 IDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2ccc(F)cc21 ZINC000013572932 556523486 /nfs/dbraw/zinc/52/34/86/556523486.db2.gz PYQOJUKCUHSMAI-CROMWVBPSA-N 1 0 439.443 1.141 50 0 IDAARO CCN1c2ccc(Br)cc2[C@@H](NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CC)C1=O ZINC000013624069 556536558 /nfs/dbraw/zinc/53/65/58/556536558.db2.gz PLBGGYHBAOLZIC-CZUORRHYSA-N 1 0 437.338 1.573 50 0 IDAARO CCOc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc(C)[nH+]3)CC2)cc1 ZINC000033318410 556560849 /nfs/dbraw/zinc/56/08/49/556560849.db2.gz HQMUEXVALJZLMO-UHFFFAOYSA-N 1 0 447.561 1.531 50 0 IDAARO COc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc(C)[nH+]3)CC2)cc1C ZINC000033318422 556560969 /nfs/dbraw/zinc/56/09/69/556560969.db2.gz UXQXQBPFXXOLPX-UHFFFAOYSA-N 1 0 447.561 1.450 50 0 IDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2c1ccc(C)c2C ZINC000016022189 556575563 /nfs/dbraw/zinc/57/55/63/556575563.db2.gz GCIOUAJSSPCYOF-ZDQHKECQSA-N 1 0 449.507 1.619 50 0 IDAARO CCCCN(C(=O)CN1CCc2ccccc2C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000034800931 556582654 /nfs/dbraw/zinc/58/26/54/556582654.db2.gz GFYXCHBSJVZTTB-UHFFFAOYSA-N 1 0 427.549 1.966 50 0 IDAARO CC[NH+]1CCN(CCNC(=O)COCc2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000032987683 556608041 /nfs/dbraw/zinc/60/80/41/556608041.db2.gz FPFBYCCRKHCLLT-UHFFFAOYSA-N 1 0 432.550 1.061 50 0 IDAARO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000409413142 556640468 /nfs/dbraw/zinc/64/04/68/556640468.db2.gz DKZSICJNZLBYGL-XLIONFOSSA-N 1 0 428.533 1.842 50 0 biogenic IDAARO Cc1cccc(CN2CCCn3nc(C(=O)NCCC(=O)NCC[NH+](C)C)cc3C2=O)c1 ZINC000037578244 556644060 /nfs/dbraw/zinc/64/40/60/556644060.db2.gz CLFNJPPVSJGUCO-UHFFFAOYSA-N 1 0 440.548 1.035 50 0 IDAARO CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000032928702 556656830 /nfs/dbraw/zinc/65/68/30/556656830.db2.gz RBTVMDNQUXVFOH-HSZRJFAPSA-N 1 0 442.604 1.617 50 0 IDAARO Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)C[NH+]3CCC(C)CC3)C2)cnn1C ZINC000017094577 556657636 /nfs/dbraw/zinc/65/76/36/556657636.db2.gz LGWUUUPUHWVZJA-SJLPKXTDSA-N 1 0 425.599 1.366 50 0 IDAARO CCCOc1ccc(N2C(=O)C[C@H](N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)C2=O)cc1 ZINC000018323276 556689458 /nfs/dbraw/zinc/68/94/58/556689458.db2.gz AMHSUMOVRFLORS-FQEVSTJZSA-N 1 0 442.560 1.913 50 0 IDAARO Cc1ccc(C(=O)N(CCC[NH+]2CCCCC2)CCS(=O)(=O)N2CCNCC2)cc1 ZINC000046141038 556692081 /nfs/dbraw/zinc/69/20/81/556692081.db2.gz ZZMKMCUVBYOBCT-UHFFFAOYSA-N 1 0 436.622 1.548 50 0 IDAARO CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)NCCN2CCC([NH+](C)C)CC2)cc1 ZINC000072313314 556693262 /nfs/dbraw/zinc/69/32/62/556693262.db2.gz CRCOJTCZOKPZDI-UHFFFAOYSA-N 1 0 425.599 1.863 50 0 IDAARO CC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCC[NH+]3CCCCCC3)ccc21 ZINC000033023977 556694113 /nfs/dbraw/zinc/69/41/13/556694113.db2.gz HDLMPQNMYRGHLJ-UHFFFAOYSA-N 1 0 436.582 1.625 50 0 IDAARO COCCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000033034079 556715242 /nfs/dbraw/zinc/71/52/42/556715242.db2.gz PVCDSVWVTZFUKF-UHFFFAOYSA-N 1 0 436.509 1.412 50 0 IDAARO O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl)N1CCN(c2cc[nH+]cc2)CC1 ZINC000055089135 556733986 /nfs/dbraw/zinc/73/39/86/556733986.db2.gz FFGSLELQCCRMFG-HXUWFJFHSA-N 1 0 445.926 1.913 50 0 IDAARO CN(CCC(=O)N(CCc1ccccc1)CC1CC[NH+](C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000055090437 556734175 /nfs/dbraw/zinc/73/41/75/556734175.db2.gz FKSOWBOXYGIVIJ-JOCHJYFZSA-N 1 0 435.634 1.909 50 0 IDAARO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)CN3C(=O)CSC3=O)C2)CC1 ZINC000055167425 556736598 /nfs/dbraw/zinc/73/65/98/556736598.db2.gz IVHQWVQLCSVUQI-MRXNPFEDSA-N 1 0 432.546 1.504 50 0 IDAARO Cn1ccnc1[C@](O)(CC(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)C(F)(F)F ZINC000058104878 556758446 /nfs/dbraw/zinc/75/84/46/556758446.db2.gz BSULJCOKUAFNKB-GOSISDBHSA-N 1 0 441.410 1.668 50 0 IDAARO CC[NH+]1CCN(c2ccccc2NC(=O)C(=O)NC[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000058141143 556760946 /nfs/dbraw/zinc/76/09/46/556760946.db2.gz ZEZHLSZXCKUJDB-FQEVSTJZSA-N 1 0 432.471 1.895 50 0 IDAARO COc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)c(OC)c1 ZINC000065362913 556834552 /nfs/dbraw/zinc/83/45/52/556834552.db2.gz FNJILYJVWIHZLO-UHFFFAOYSA-N 1 0 447.561 1.913 50 0 IDAARO COc1ccc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(N4CCOCC4)n3)CC2)cc1 ZINC000065364061 556835444 /nfs/dbraw/zinc/83/54/44/556835444.db2.gz DODHGCMUKKXELN-UHFFFAOYSA-N 1 0 433.534 1.141 50 0 IDAARO Cc1cc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000065364464 556835678 /nfs/dbraw/zinc/83/56/78/556835678.db2.gz NLLXENBIOLWKOL-UHFFFAOYSA-N 1 0 431.562 1.749 50 0 IDAARO Cc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000065365905 556836269 /nfs/dbraw/zinc/83/62/69/556836269.db2.gz VDYUYEMIKAGHOV-UHFFFAOYSA-N 1 0 437.953 1.786 50 0 IDAARO Cc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCCN3CC[NH+](C)CC3)CC2)cc1 ZINC000033254560 556890756 /nfs/dbraw/zinc/89/07/56/556890756.db2.gz QOWRMJMNBVLDSB-UHFFFAOYSA-N 1 0 436.622 1.540 50 0 IDAARO Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@H](C(=O)NCC[NH+](C)C)C3)s2)cc1 ZINC000033263233 556901609 /nfs/dbraw/zinc/90/16/09/556901609.db2.gz WBTCIAIBVGQJKG-HNNXBMFYSA-N 1 0 444.561 1.629 50 0 IDAARO CCn1ccnc1CN(C)Cc1ccc(OC)cc1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000020166994 556993974 /nfs/dbraw/zinc/99/39/74/556993974.db2.gz YISMWHZZFSYXIV-HXUWFJFHSA-N 1 0 431.581 1.531 50 0 IDAARO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000097163883 556994202 /nfs/dbraw/zinc/99/42/02/556994202.db2.gz HZYCZRZGJWALAV-ZDUSSCGKSA-N 1 0 442.481 1.515 50 0 IDAARO CS[C@@H]1CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@@H]1[NH+]1CCCC1 ZINC000097163897 556994207 /nfs/dbraw/zinc/99/42/07/556994207.db2.gz XTJIQSKEPABWEI-ZWKOTPCHSA-N 1 0 437.587 1.514 50 0 IDAARO CCOC(=O)CNC(=O)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020234363 557001944 /nfs/dbraw/zinc/00/19/44/557001944.db2.gz QLNVBFXORNFEIU-SFHVURJKSA-N 1 0 432.521 1.270 50 0 IDAARO Cn1c2nc3n(cc(-c4cccs4)n3CCC[NH+]3CCOCC3)c2c(=O)n(C)c1=O ZINC000020312353 557007434 /nfs/dbraw/zinc/00/74/34/557007434.db2.gz DKVMXPXNOFFNOQ-UHFFFAOYSA-N 1 0 428.518 1.137 50 0 IDAARO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCN(Cc4cc(C)on4)CC3)cc2)CC1 ZINC000022776226 557042659 /nfs/dbraw/zinc/04/26/59/557042659.db2.gz YOXANWHMGBOTFE-UHFFFAOYSA-N 1 0 426.565 1.881 50 0 IDAARO CCOc1ccc(S(=O)(=O)N2CCN(c3nc(N4CCOCC4)cc(C)[nH+]3)CC2)cc1 ZINC000017308080 557054160 /nfs/dbraw/zinc/05/41/60/557054160.db2.gz WSPONNDQVGGBHE-UHFFFAOYSA-N 1 0 447.561 1.531 50 0 IDAARO COCCNC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1N1CC[NH2+]CC1 ZINC000033275406 557054513 /nfs/dbraw/zinc/05/45/13/557054513.db2.gz SFIAPTYMJDGTCB-UHFFFAOYSA-N 1 0 432.546 1.582 50 0 IDAARO CC[N@H+](CCc1ccccn1)CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000048303812 557058815 /nfs/dbraw/zinc/05/88/15/557058815.db2.gz ZIMMWSFFEHTFBL-UHFFFAOYSA-N 1 0 434.537 1.618 50 0 IDAARO Cc1nc(C)n(CCNC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)n1 ZINC000082120877 557058807 /nfs/dbraw/zinc/05/88/07/557058807.db2.gz TTXLBVZMFFSMNE-NRFANRHFSA-N 1 0 425.581 1.783 50 0 IDAARO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)cc2)C1 ZINC000048344903 557072005 /nfs/dbraw/zinc/07/20/05/557072005.db2.gz ATCQGZNHCZIYLC-YVWKXTFCSA-N 1 0 433.574 1.893 50 0 IDAARO O=C(c1nc2ccccn2c1CN1CCC[C@@H](C[NH+]2CCOCC2)C1)N1CCOCC1 ZINC000023338770 557085152 /nfs/dbraw/zinc/08/51/52/557085152.db2.gz WEEBPTLLJALJOS-IBGZPJMESA-N 1 0 427.549 1.351 50 0 IDAARO CC(C)C[N@@H+]1CCO[C@H](CSc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 ZINC000023701743 557107974 /nfs/dbraw/zinc/10/79/74/557107974.db2.gz TWKXAILBHAGNNW-KRWDZBQOSA-N 1 0 428.624 1.467 50 0 IDAARO COc1cc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)cn[nH+]3)CC2)cc1C ZINC000206729018 557142473 /nfs/dbraw/zinc/14/24/73/557142473.db2.gz JJEWUYDHRXFKBQ-UHFFFAOYSA-N 1 0 447.561 1.450 50 0 IDAARO CC[C@@H](CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)[NH+]1CCCC1 ZINC000024799819 557145023 /nfs/dbraw/zinc/14/50/23/557145023.db2.gz FUVONXKIEUZFPN-INIZCTEOSA-N 1 0 435.594 1.747 50 0 IDAARO Cc1ccc(S(=O)(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)OCCOc2ccccc2)cc1 ZINC000095918108 557161737 /nfs/dbraw/zinc/16/17/37/557161737.db2.gz PCMQHERBTFYJAX-LJQANCHMSA-N 1 0 448.545 1.527 50 0 IDAARO CS(=O)(=O)N1CCC(C2CC[NH+]([C@H]3CC(=O)N(Cc4ccccc4)C3=O)CC2)CC1 ZINC000100878990 557197935 /nfs/dbraw/zinc/19/79/35/557197935.db2.gz JZRYVFKQEBEEFQ-FQEVSTJZSA-N 1 0 433.574 1.698 50 0 IDAARO C[C@H]([N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(C)(C)C ZINC000027135848 557257499 /nfs/dbraw/zinc/25/74/99/557257499.db2.gz CKFQGRZFRKSLPX-INIZCTEOSA-N 1 0 439.578 1.657 50 0 IDAARO CC[NH+](CC)CCNC(=O)CC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000033254609 557327860 /nfs/dbraw/zinc/32/78/60/557327860.db2.gz ZOISENPLALISAJ-UHFFFAOYSA-N 1 0 438.594 1.894 50 0 IDAARO COCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000247847847 557349418 /nfs/dbraw/zinc/34/94/18/557349418.db2.gz NKZXHBWKHXAHSY-UECWXEIQSA-N 1 0 435.480 1.392 50 0 IDAARO COc1ccc(S(=O)(=O)N2CCN(c3nc(N4CCN(C)CC4)cc(C)[nH+]3)CC2)cc1 ZINC000024023288 557391581 /nfs/dbraw/zinc/39/15/81/557391581.db2.gz VDWKZTNSTFDNRS-UHFFFAOYSA-N 1 0 446.577 1.056 50 0 IDAARO Cc1ccc(S(=O)(=O)N(CCCOC(C)C)CCC(=O)N2CC[NH2+]CC2)c(C)c1 ZINC000045944855 557553511 /nfs/dbraw/zinc/55/35/11/557553511.db2.gz DYSXTZNJVDSAGW-UHFFFAOYSA-N 1 0 425.595 1.931 50 0 IDAARO COc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C2CCCCC2)cc1OC ZINC000045944678 557553660 /nfs/dbraw/zinc/55/36/60/557553660.db2.gz VSMZPIDHHKLMCW-UHFFFAOYSA-N 1 0 439.578 1.849 50 0 IDAARO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C1)CCCC2 ZINC000225563265 557742836 /nfs/dbraw/zinc/74/28/36/557742836.db2.gz CYGXPTYGBBBNOZ-KRWDZBQOSA-N 1 0 445.564 1.923 50 0 IDAARO NC(=O)c1ncn(C2CC[NH+](C[C@@H](O)COc3ccccc3C(F)(F)F)CC2)c1N ZINC000225844988 557784486 /nfs/dbraw/zinc/78/44/86/557784486.db2.gz TVYDZLKVNHYGIW-CYBMUJFWSA-N 1 0 427.427 1.660 50 0 IDAARO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)CC1 ZINC000241144864 557846002 /nfs/dbraw/zinc/84/60/02/557846002.db2.gz JTTBRRGIJWAMCM-LMNJBCLMSA-N 1 0 432.613 1.498 50 0 IDAARO O=S(=O)(c1ccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1)N1CCOCC1 ZINC000003211802 562932766 /nfs/dbraw/zinc/93/27/66/562932766.db2.gz HOOCPWROUKOPRU-HXUWFJFHSA-N 1 0 432.542 1.506 50 0 IDAARO Cc1ccc(CNC(=O)[C@@H](NC(=O)C2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)C(C)C)cc1 ZINC000004082640 562941621 /nfs/dbraw/zinc/94/16/21/562941621.db2.gz YAQNNOLWSOWJMO-SFTDATJTSA-N 1 0 428.577 1.743 50 0 biogenic IDAARO COc1ccccc1CNC(=O)[C@@H](NC(=O)C1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1)C(C)C ZINC000008789493 562964169 /nfs/dbraw/zinc/96/41/69/562964169.db2.gz FAIBABZLZCCOIP-FPOVZHCZSA-N 1 0 444.576 1.443 50 0 biogenic IDAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009742152 562976318 /nfs/dbraw/zinc/97/63/18/562976318.db2.gz LVWSKXKIFXRKQJ-IBGZPJMESA-N 1 0 433.530 1.867 50 0 IDAARO C[NH+](C)CCCNC(=O)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1 ZINC000009741427 562976329 /nfs/dbraw/zinc/97/63/29/562976329.db2.gz GBAQOLMVPSRFFM-KRWDZBQOSA-N 1 0 441.550 1.586 50 0 IDAARO COc1cc(OC)cc(C(=O)N[C@H](C)C(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)c1 ZINC000025107902 568636342 /nfs/dbraw/zinc/63/63/42/568636342.db2.gz RHDWFVXQJNVKSQ-CQSZACIVSA-N 1 0 427.505 1.209 50 0 IDAARO Cc1ncc2c(c1CNS(=O)(=O)c1ccsc1)CCN(C(=O)C[NH+]1CCCC1)C2 ZINC000299758523 568755529 /nfs/dbraw/zinc/75/55/29/568755529.db2.gz MGRDBOUBXXNCOX-UHFFFAOYSA-N 1 0 434.587 1.911 50 0 IDAARO O=C(NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1nc2ccccc2[nH]1 ZINC000299789865 568757725 /nfs/dbraw/zinc/75/77/25/568757725.db2.gz AELWMHSNIQZVCT-GOSISDBHSA-N 1 0 425.533 1.642 50 0 IDAARO CN1C(=O)c2cc(C(=O)NCC[NH+]3CCCCCC3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000015723709 568812342 /nfs/dbraw/zinc/81/23/42/568812342.db2.gz IJCLALDAEGKGCX-HSZRJFAPSA-N 1 0 444.580 1.392 50 0 IDAARO Cc1cc2n(n1)CCC(=O)N2[C@@H](C)C(=O)NCCCN1CCC([NH+]2CCCCC2)CC1 ZINC000015728614 568813122 /nfs/dbraw/zinc/81/31/22/568813122.db2.gz HINVSTIDGAHPNQ-IBGZPJMESA-N 1 0 430.597 1.773 50 0 IDAARO CCc1ccc(CN(CC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000015864288 568849741 /nfs/dbraw/zinc/84/97/41/568849741.db2.gz HNUOWJHIAVTHIG-UHFFFAOYSA-N 1 0 431.558 1.880 50 0 IDAARO CS[C@@H]1CN(C(=O)CN2C(=O)COc3cc(Br)ccc32)C[C@@H]1[NH+](C)C ZINC000089314094 568920693 /nfs/dbraw/zinc/92/06/93/568920693.db2.gz SPPBCRHHUYYHQI-DZGCQCFKSA-N 1 0 428.352 1.679 50 0 IDAARO Cc1cc(N2CCN(C(=O)c3ccc(Br)o3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000064799894 568961256 /nfs/dbraw/zinc/96/12/56/568961256.db2.gz FATLSXCSDBYTTQ-UHFFFAOYSA-N 1 0 436.310 1.940 50 0 IDAARO O=C(CCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21)NCCC[NH+]1CCCCC1 ZINC000064889226 568980436 /nfs/dbraw/zinc/98/04/36/568980436.db2.gz FTLNBRUAFJNLGK-UHFFFAOYSA-N 1 0 448.593 1.598 50 0 IDAARO CCn1c2c(C(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)cnn2c(=O)c2c1CC[NH2+]C2 ZINC000064966198 569001169 /nfs/dbraw/zinc/00/11/69/569001169.db2.gz AUTBKEUPNFELPB-UHFFFAOYSA-N 1 0 448.527 1.327 50 0 IDAARO CCCNC(=O)c1cc(NS(=O)(=O)c2ccc(OC)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025129 569090349 /nfs/dbraw/zinc/09/03/49/569090349.db2.gz SWEKHXLFRVGWEW-UHFFFAOYSA-N 1 0 433.534 1.440 50 0 IDAARO COCCNC(=O)c1cc(NS(=O)(=O)c2cc(C)ccc2C)cnc1N1CC[NH2+]CC1 ZINC000065025190 569090400 /nfs/dbraw/zinc/09/04/00/569090400.db2.gz ZOCKPGOWHULFIC-UHFFFAOYSA-N 1 0 447.561 1.285 50 0 IDAARO C[NH+]1CCN(CCNC(=O)c2ccc3c(c2)N(S(=O)(=O)c2ccccc2F)CC3)CC1 ZINC000065210619 569116317 /nfs/dbraw/zinc/11/63/17/569116317.db2.gz CYRYNTYHEAXHIE-UHFFFAOYSA-N 1 0 446.548 1.554 50 0 IDAARO C[NH+]1CCN(CCNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CC23CCCCC3)CC1 ZINC000065259744 569124697 /nfs/dbraw/zinc/12/46/97/569124697.db2.gz QSYOWQZPDLUPAB-NRFANRHFSA-N 1 0 448.633 1.621 50 0 biogenic IDAARO Cc1scc2nc(C(=O)NCCCN3CC[NH+](C)CC3)nc(N3CCSCC3)c12 ZINC000065283417 569130134 /nfs/dbraw/zinc/13/01/34/569130134.db2.gz BTFPJRXQKLQTGR-UHFFFAOYSA-N 1 0 434.635 1.920 50 0 IDAARO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000036664288 569130321 /nfs/dbraw/zinc/13/03/21/569130321.db2.gz VSJVHBOAVFLYFW-HXUWFJFHSA-N 1 0 429.542 1.948 50 0 IDAARO COc1ccc(-c2cn3c(nc4c3c(=O)[nH]c(=O)n4C)n2CCC[NH+]2CCOCC2)cc1 ZINC000170624416 569148183 /nfs/dbraw/zinc/14/81/83/569148183.db2.gz ZBKILELGJFITSP-UHFFFAOYSA-N 1 0 438.488 1.074 50 0 IDAARO Cc1cccc([C@H]2N=C(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)NC(=[NH2+])N2)c1 ZINC000013578879 569156020 /nfs/dbraw/zinc/15/60/20/569156020.db2.gz FAEZBHSYDCFKNR-MRXNPFEDSA-N 1 0 432.531 1.287 50 0 IDAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000089794417 569164107 /nfs/dbraw/zinc/16/41/07/569164107.db2.gz CDXXPWQTDPUNHN-DOTOQJQBSA-N 1 0 436.534 1.088 50 0 IDAARO C[NH+]1CCN(c2ccc(NC(=O)c3c4c(nn3[C@@H]3CCS(=O)(=O)C3)CCC4)cc2)CC1 ZINC000016850895 569164802 /nfs/dbraw/zinc/16/48/02/569164802.db2.gz ZRWWXGAKBGHKAV-GOSISDBHSA-N 1 0 443.573 1.736 50 0 IDAARO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000252513153 569188974 /nfs/dbraw/zinc/18/89/74/569188974.db2.gz XQXIDAKSCBEZAG-YZLZLFLDSA-N 1 0 439.578 1.198 50 0 IDAARO O=C(NCCN1CC[NH2+]CC1)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 ZINC000252537304 569190028 /nfs/dbraw/zinc/19/00/28/569190028.db2.gz KXUWWPWTPFSEKA-KRWDZBQOSA-N 1 0 438.370 1.145 50 0 IDAARO CS[C@H]1CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@H]1[NH+]1CCCC1 ZINC000253370905 569264195 /nfs/dbraw/zinc/26/41/95/569264195.db2.gz XTJIQSKEPABWEI-MSOLQXFVSA-N 1 0 437.587 1.514 50 0 IDAARO CC(C)[C@H](CNS(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)N1CC[NH+](C)CC1 ZINC000253427765 569267534 /nfs/dbraw/zinc/26/75/34/569267534.db2.gz GREOSHQOUWOGKK-INIZCTEOSA-N 1 0 438.015 1.294 50 0 IDAARO C[NH+]1CCC(C)(CNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3Cl)CCO2)CC1 ZINC000253428503 569267616 /nfs/dbraw/zinc/26/76/16/569267616.db2.gz QLZFOPBXELWFQK-INIZCTEOSA-N 1 0 429.970 1.578 50 0 IDAARO CC(=O)N1c2ccc(S(=O)(=O)N3CCCCCC3)cc2C[C@H]1C(=O)NCC[NH+](C)C ZINC000013368794 569314704 /nfs/dbraw/zinc/31/47/04/569314704.db2.gz DGTGJMFSLMTESO-FQEVSTJZSA-N 1 0 436.578 1.207 50 0 IDAARO CC(=O)N1c2ccc(S(=O)(=O)N3CCCCCC3)cc2C[C@@H]1C(=O)NCC[NH+](C)C ZINC000013368796 569314750 /nfs/dbraw/zinc/31/47/50/569314750.db2.gz DGTGJMFSLMTESO-HXUWFJFHSA-N 1 0 436.578 1.207 50 0 IDAARO COc1cc(Br)c(S(N)(=O)=O)cc1C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000095441949 569366781 /nfs/dbraw/zinc/36/67/81/569366781.db2.gz NZUGZUPAGPFVQQ-GFCCVEGCSA-N 1 0 448.383 1.955 50 0 IDAARO CC[NH+](CC)CCN(CCOCCO)C(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1 ZINC000095444576 569367043 /nfs/dbraw/zinc/36/70/43/569367043.db2.gz HUAKFQZWJUYFSW-UHFFFAOYSA-N 1 0 445.582 1.165 50 0 IDAARO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000095459753 569369509 /nfs/dbraw/zinc/36/95/09/569369509.db2.gz XDXOJUVIELCBEH-HNNXBMFYSA-N 1 0 426.355 1.935 50 0 IDAARO COc1cc(Br)c(CNc2cnn(CC(=O)NCC[NH+](C)C)c2)c(OC)c1 ZINC000095462157 569370204 /nfs/dbraw/zinc/37/02/04/569370204.db2.gz DVRAWCDUEZPQAD-UHFFFAOYSA-N 1 0 440.342 1.953 50 0 IDAARO O=C(NCC1CC[NH+](C2CCOCC2)CC1)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CC2 ZINC000225565962 569404611 /nfs/dbraw/zinc/40/46/11/569404611.db2.gz BKAUZALSHKYTEF-UHFFFAOYSA-N 1 0 440.544 1.468 50 0 IDAARO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](CC(N)=O)[NH2+][C@@]23c2cc(C)ccc2NC3=O)c1 ZINC000057122084 569429555 /nfs/dbraw/zinc/42/95/55/569429555.db2.gz NVPKVNIBJCWLCB-SVLHDBBDSA-N 1 0 438.484 1.652 50 0 IDAARO O=C(CNC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)NCCC[NH+]1CCCCC1 ZINC000003042417 569438503 /nfs/dbraw/zinc/43/85/03/569438503.db2.gz KEFVAJSAGRKENR-MSOLQXFVSA-N 1 0 431.606 1.134 50 0 IDAARO O=C(COCc1nc2cc(F)ccc2[nH]1)N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000670444735 569451712 /nfs/dbraw/zinc/45/17/12/569451712.db2.gz HTIOHSHGAKCRBP-ZOOHCMMUSA-N 1 0 449.530 1.902 50 0 IDAARO CC(C)CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2F)CC1 ZINC000004316518 569462022 /nfs/dbraw/zinc/46/20/22/569462022.db2.gz AMLVHYLKIDZXOA-UHFFFAOYSA-N 1 0 428.512 1.779 50 0 IDAARO COc1cc(S(=O)(=O)NCCNc2cc(N3CCOCC3)nc(C)[nH+]2)c(C)cc1C ZINC000038488314 569463017 /nfs/dbraw/zinc/46/30/17/569463017.db2.gz RQPAPAGMXPTGOU-UHFFFAOYSA-N 1 0 435.550 1.637 50 0 IDAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)NC(=O)N[C@H]1c1cccc(Br)c1 ZINC000067286197 569466946 /nfs/dbraw/zinc/46/69/46/569466946.db2.gz OYNXGWXGLDUKJN-KRWDZBQOSA-N 1 0 437.338 1.868 50 0 IDAARO Cc1cn2c3c(nc2n1CC[NH+]1CCC(Cc2ccccc2)CC1)n(C)c(=O)n(C)c3=O ZINC000008725403 569472133 /nfs/dbraw/zinc/47/21/33/569472133.db2.gz UQYNUZCVSPKUSC-UHFFFAOYSA-N 1 0 434.544 1.950 50 0 IDAARO COc1ccc(C(=O)NCCC(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)cc1OC ZINC000008764471 569474641 /nfs/dbraw/zinc/47/46/41/569474641.db2.gz GAOKUPBWDLHFRX-UHFFFAOYSA-N 1 0 427.505 1.210 50 0 biogenic IDAARO COc1cccc(C[C@@H](C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)n2nnnc2C)c1 ZINC000040120297 569489440 /nfs/dbraw/zinc/48/94/40/569489440.db2.gz MVLCTDLGDCHDFZ-SFTDATJTSA-N 1 0 428.537 1.487 50 0 IDAARO C[C@@H]1CN(S(=O)(=O)CC[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C[C@@H](C)O1 ZINC000040153289 569493537 /nfs/dbraw/zinc/49/35/37/569493537.db2.gz LOECRDYILAHGBB-HUUCEWRRSA-N 1 0 436.534 1.377 50 0 IDAARO COc1cccc(C(=O)N[C@H](C)C(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)c1OC ZINC000008996500 569495748 /nfs/dbraw/zinc/49/57/48/569495748.db2.gz NHAZFLQPKPUXGL-CQSZACIVSA-N 1 0 427.505 1.209 50 0 IDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(N2CCCCS2(=O)=O)c(OC)c1 ZINC000040284024 569497920 /nfs/dbraw/zinc/49/79/20/569497920.db2.gz VYYZAMYHUHPMEK-MRXNPFEDSA-N 1 0 438.550 1.164 50 0 IDAARO CC1(C)Cc2c(sc3c2c(=O)n(CC(=O)NCC[NH3+])c(=O)n3Cc2ccccc2)CO1 ZINC000009133918 569506993 /nfs/dbraw/zinc/50/69/93/569506993.db2.gz WHBLUMGCDBKDKJ-UHFFFAOYSA-N 1 0 442.541 1.199 50 0 IDAARO CCn1cc(C(=O)NCC(=O)NC[C@@H]2CCC[N@@H+]2CC)c(=O)c2cc3c(cc21)OCO3 ZINC000009304070 569521141 /nfs/dbraw/zinc/52/11/41/569521141.db2.gz FYIQJKBJDWEVII-AWEZNQCLSA-N 1 0 428.489 1.080 50 0 IDAARO CCN1c2ccc(Br)cc2[C@@H](NC(=O)C(=O)NCC[NH+]2CCCCC2)C1=O ZINC000009306011 569521290 /nfs/dbraw/zinc/52/12/90/569521290.db2.gz NUNFOIFXPKDXKZ-MRXNPFEDSA-N 1 0 437.338 1.575 50 0 IDAARO O=C(COc1ccc(Cl)cc1)NCCC(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000009410264 569531334 /nfs/dbraw/zinc/53/13/34/569531334.db2.gz QUQBECAVYHKWBD-UHFFFAOYSA-N 1 0 431.924 1.612 50 0 IDAARO COc1ccc(-n2c(C)cn3c2nc2c3c(=O)n(CC[NH+]3CCCCC3)c(=O)n2C)cc1 ZINC000009446507 569535900 /nfs/dbraw/zinc/53/59/00/569535900.db2.gz JJCNWVOPLZZVGV-UHFFFAOYSA-N 1 0 436.516 1.942 50 0 IDAARO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C[NH2+]CCc1ccc(F)cc1 ZINC000009491815 569540444 /nfs/dbraw/zinc/54/04/44/569540444.db2.gz SJQUSCORYFXDJP-UHFFFAOYSA-N 1 0 435.521 1.926 50 0 IDAARO COc1ccc(-n2nc(C(=O)NCC(=O)NCC[NH+]3CCCC3)c3ccccc3c2=O)cc1 ZINC000009833569 569570332 /nfs/dbraw/zinc/57/03/32/569570332.db2.gz KKJRYKGMGRKGJN-UHFFFAOYSA-N 1 0 449.511 1.336 50 0 IDAARO NC(=O)C1([NH+]2CCCCC2)CCN(c2nc3nc(=O)n(-c4ccccc4)c(=O)c-3c[nH]2)CC1 ZINC000077100682 569585435 /nfs/dbraw/zinc/58/54/35/569585435.db2.gz BBJXASIPITVTFL-UHFFFAOYSA-N 1 0 449.515 1.192 50 0 IDAARO C[C@H]1CCCCN1CCN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000045974743 569586999 /nfs/dbraw/zinc/58/69/99/569586999.db2.gz XHQFRQKYUFLZOV-KRWDZBQOSA-N 1 0 426.558 1.123 50 0 IDAARO CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000021023186 519639398 /nfs/dbraw/zinc/63/93/98/519639398.db2.gz FKTDNKKMFOFIDW-NRFANRHFSA-N 1 0 448.589 1.351 50 0 IDAARO CC(C)CCNC(=O)[C@@]1(C)Cn2nc(C(=O)NCC[NH+]3CCCCC3)cc2C(=O)N1C ZINC000021875985 519659864 /nfs/dbraw/zinc/65/98/64/519659864.db2.gz VPRVFWYVEVBDKN-JOCHJYFZSA-N 1 0 432.569 1.105 50 0 IDAARO CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022796716 519721236 /nfs/dbraw/zinc/72/12/36/519721236.db2.gz BZFRNZBXWJULEC-JOCHJYFZSA-N 1 0 437.544 1.997 50 0 IDAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000012806073 519729216 /nfs/dbraw/zinc/72/92/16/519729216.db2.gz YNRQHCAKLYUSDS-SFHVURJKSA-N 1 0 441.569 1.699 50 0 IDAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000012806086 519729751 /nfs/dbraw/zinc/72/97/51/519729751.db2.gz YNRQHCAKLYUSDS-GOSISDBHSA-N 1 0 441.569 1.699 50 0 IDAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)C1 ZINC000022693649 519730771 /nfs/dbraw/zinc/73/07/71/519730771.db2.gz ULOWPZTVVAOJRU-MRXNPFEDSA-N 1 0 429.970 1.867 50 0 IDAARO CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)[C@H](C[NH+]3CCCC3)[C@H]1[C@@H]2O ZINC000012656914 519758036 /nfs/dbraw/zinc/75/80/36/519758036.db2.gz CXVDWNNRIYXLKR-KIOXUHQCSA-N 1 0 437.533 1.530 50 0 biogenic IDAARO CC(=O)O[C@H]1C[C@H](O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)[C@H](C[NH+]3CCCC3)[C@H]1[C@@H]2OC(C)=O ZINC000012653151 519758332 /nfs/dbraw/zinc/75/83/32/519758332.db2.gz MOYOJTXMWPQGBG-KIOXUHQCSA-N 1 0 437.533 1.530 50 0 biogenic IDAARO CCC[NH+]1CCN(CCCNC(=O)c2ccc(-n3ncc(C(=O)OCC)c3N)cc2)CC1 ZINC000021652115 519858317 /nfs/dbraw/zinc/85/83/17/519858317.db2.gz GWSZGYZOZOVQIZ-UHFFFAOYSA-N 1 0 442.564 1.779 50 0 IDAARO CC1(C)CC(NC(=O)C(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)CC(C)(C)[NH2+]1 ZINC000020716211 520283482 /nfs/dbraw/zinc/28/34/82/520283482.db2.gz KVUXYOXPQYODJV-UHFFFAOYSA-N 1 0 439.560 1.878 50 0 IDAARO CCCC[N@H+](CC)CCCNC(=O)C1=C(C)C(=O)OC12CCN(S(=O)(=O)CC)CC2 ZINC000021887771 520474796 /nfs/dbraw/zinc/47/47/96/520474796.db2.gz OHNKIZJHSKXOOU-UHFFFAOYSA-N 1 0 443.610 1.672 50 0 biogenic IDAARO CC[NH+](CC)CCN(C)C(=O)C1CCN(c2cccc3c2C(=O)N(CCOC)C3=O)CC1 ZINC000012149779 520639167 /nfs/dbraw/zinc/63/91/67/520639167.db2.gz QAEFICIPNMBZSX-UHFFFAOYSA-N 1 0 444.576 1.946 50 0 IDAARO CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)NCC[NH+](CC)CC)N2C(C)=O ZINC000015775959 520681630 /nfs/dbraw/zinc/68/16/30/520681630.db2.gz BUQWVXWJNNVKSR-HXUWFJFHSA-N 1 0 438.594 1.453 50 0 IDAARO CC[NH+](CC)CCNC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(C)C2=O ZINC000021874774 520682558 /nfs/dbraw/zinc/68/25/58/520682558.db2.gz VMBVZXSMWKGPGG-JOCHJYFZSA-N 1 0 432.569 1.248 50 0 IDAARO CCOc1cc(C[N@H+]2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)ccc1O ZINC000020907569 520699269 /nfs/dbraw/zinc/69/92/69/520699269.db2.gz DEJSJEOGBWYFCO-SFHVURJKSA-N 1 0 429.521 1.278 50 0 IDAARO CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCCCN3CC[NH+](C)CC3)n2C)c1 ZINC000035561064 520815614 /nfs/dbraw/zinc/81/56/14/520815614.db2.gz WQUANPYBEIDSCN-UHFFFAOYSA-N 1 0 449.621 1.576 50 0 IDAARO CCOC(=O)C[C@@H](Nc1nc(NCCO)[nH+]c(N2CCOCC2)n1)c1ccc(C)cc1 ZINC000012413186 520842840 /nfs/dbraw/zinc/84/28/40/520842840.db2.gz BTDJFUJSTKOPQR-QGZVFWFLSA-N 1 0 430.509 1.527 50 0 IDAARO CC[NH+]1CCN(CCCNC(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)CC1 ZINC000021933433 521681226 /nfs/dbraw/zinc/68/12/26/521681226.db2.gz KXEAJBNGKPNSPV-UHFFFAOYSA-N 1 0 438.576 1.687 50 0 IDAARO CC[NH+]1CCN(CCNC(=O)C2CCN(c3ccc(N4CCCCC4)nn3)CC2)CC1 ZINC000035401151 521682479 /nfs/dbraw/zinc/68/24/79/521682479.db2.gz TXUZHFUOQJEQAC-UHFFFAOYSA-N 1 0 429.613 1.437 50 0 IDAARO CC[NH+]1CCN([C@@H](CNC(=O)C(=O)NCc2ccccc2OC)c2cccnc2)CC1 ZINC000023203184 521691657 /nfs/dbraw/zinc/69/16/57/521691657.db2.gz ATKBUXMMJHLFGM-FQEVSTJZSA-N 1 0 425.533 1.201 50 0 IDAARO CC[NH+]1CCN([C@H](CNS(=O)(=O)c2ccc(OC)c(OC)c2)c2cccnc2)CC1 ZINC000022784437 521694639 /nfs/dbraw/zinc/69/46/39/521694639.db2.gz LGEWAZWXXKVYEK-LJQANCHMSA-N 1 0 434.562 1.756 50 0 IDAARO CC[C@@H](C)[C@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(=O)NCC[NH+](C)C ZINC000012891473 522381668 /nfs/dbraw/zinc/38/16/68/522381668.db2.gz UMWBQRWFAJTPSB-VLIAUNLRSA-N 1 0 444.532 1.572 50 0 biogenic IDAARO COc1cc(C[N@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)cc(OC)c1 ZINC000012279901 522399054 /nfs/dbraw/zinc/39/90/54/522399054.db2.gz VKKRYYGUQHXWEQ-IBGZPJMESA-N 1 0 437.566 1.600 50 0 IDAARO COc1cc(C[NH2+]CCCn2nc(C)cc2C)ccc1OC[C@H](O)CN1CCOCC1 ZINC000012748659 522450376 /nfs/dbraw/zinc/45/03/76/522450376.db2.gz UZNBZBFTDOKQGL-OAQYLSRUSA-N 1 0 432.565 1.760 50 0 IDAARO COc1cc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)[nH+]3)CC2)cc(OC)c1 ZINC000021795886 522684695 /nfs/dbraw/zinc/68/46/95/522684695.db2.gz HTDADDNLPUUTAL-UHFFFAOYSA-N 1 0 442.520 1.993 50 0 IDAARO CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H]([NH2+]CCc1cccc(OC)c1)C2 ZINC000014742696 523609283 /nfs/dbraw/zinc/60/92/83/523609283.db2.gz DFSZRKNKTBTDFE-IBGZPJMESA-N 1 0 425.577 1.989 50 0 IDAARO CN1C(=O)c2cc(C(=O)NCCC[NH+]3CCCC3)nn2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021875005 523728383 /nfs/dbraw/zinc/72/83/83/523728383.db2.gz MONGBZHMINDJPS-QHCPKHFHSA-N 1 0 444.580 1.392 50 0 IDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2c1cc(C)cc2C ZINC000020566235 523807208 /nfs/dbraw/zinc/80/72/08/523807208.db2.gz AFTUVLJUYFUBFM-MVOHMCPASA-N 1 0 449.507 1.619 50 0 IDAARO C[NH+]1CCN(CCCNC(=O)C2CCN(c3nnc(N4CCCCC4=O)s3)CC2)CC1 ZINC000021028376 523896281 /nfs/dbraw/zinc/89/62/81/523896281.db2.gz LPLUOKXZAIFNJQ-UHFFFAOYSA-N 1 0 449.625 1.025 50 0 IDAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2)c2ccc3c(c2)OCO3)CC1 ZINC000022851261 523917935 /nfs/dbraw/zinc/91/79/35/523917935.db2.gz LFEZKKPDFGVIIF-SFHVURJKSA-N 1 0 428.464 1.598 50 0 IDAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)NCCc2ccccc2)c2ccc3c(c2)OCO3)CC1 ZINC000022797257 523920182 /nfs/dbraw/zinc/92/01/82/523920182.db2.gz ICOAOIUDBLOQDC-HXUWFJFHSA-N 1 0 438.528 1.179 50 0 IDAARO COc1ccccc1CNC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000022795884 524457854 /nfs/dbraw/zinc/45/78/54/524457854.db2.gz WQTIICJUYYNCMS-HXUWFJFHSA-N 1 0 428.508 1.555 50 0 IDAARO Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CC[NH+](C)CC2)cc1 ZINC000022797178 524490590 /nfs/dbraw/zinc/49/05/90/524490590.db2.gz QTGHIIINIARRPK-HXUWFJFHSA-N 1 0 438.528 1.445 50 0 IDAARO C[C@@H]1CN(C(=O)c2nc3sccn3c2C[NH2+]CCSc2nnnn2C)C[C@H](C)O1 ZINC000012305256 524885984 /nfs/dbraw/zinc/88/59/84/524885984.db2.gz CCKDZFMPKYVQJH-TXEJJXNPSA-N 1 0 436.567 1.051 50 0 IDAARO Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000020819108 525523254 /nfs/dbraw/zinc/52/32/54/525523254.db2.gz IOUYQIQBIXJGEX-UHFFFAOYSA-N 1 0 436.622 1.783 50 0 IDAARO Cc1c(C)n2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCN1CC[NH+](CCc2ccccc2)CC1 ZINC000020816390 525687230 /nfs/dbraw/zinc/68/72/30/525687230.db2.gz RDDULNJCMAOORK-UHFFFAOYSA-N 1 0 449.559 1.153 50 0 IDAARO Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)NCCC[N@H+]4CCC[C@@H](C)C4)C3)sc2n1 ZINC000021148491 526146238 /nfs/dbraw/zinc/14/62/38/526146238.db2.gz NDTWVKMOYUXMHI-NVXWUHKLSA-N 1 0 432.594 1.914 50 0 IDAARO CSc1ncc(CN2CC[C@@H]([NH+]3CCN(CCc4ccccc4)CC3)[C@H](O)C2)cn1 ZINC000020536562 526221883 /nfs/dbraw/zinc/22/18/83/526221883.db2.gz BSYOEFYJDIJEAD-FGZHOGPDSA-N 1 0 427.618 1.994 50 0 IDAARO Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]CC1(N3CCOCC3)CCCC1)C2 ZINC000023311806 527541744 /nfs/dbraw/zinc/54/17/44/527541744.db2.gz XCPWTTQUYKFKPL-GOSISDBHSA-N 1 0 447.649 1.701 50 0 IDAARO CCC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCCc3ccccc3OC)co2)CC1 ZINC000034677593 555796033 /nfs/dbraw/zinc/79/60/33/555796033.db2.gz AHYGSTBVIJIWSC-LJQANCHMSA-N 1 0 430.549 1.934 50 0 IDAARO NS(=O)(=O)c1ccc(CN[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000006077121 556074848 /nfs/dbraw/zinc/07/48/48/556074848.db2.gz SHTSVYFWHYDXGS-OAHLLOKOSA-N 1 0 438.303 1.518 50 0 IDAARO COc1ccc(CCC(=O)NCCC(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)cc1 ZINC000008740582 556206216 /nfs/dbraw/zinc/20/62/16/556206216.db2.gz SYDJYGNFKFQPFA-UHFFFAOYSA-N 1 0 425.533 1.521 50 0 IDAARO C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CC[N@@H+](Cc1cccc(OCCO)c1)CC2 ZINC000011881659 556373181 /nfs/dbraw/zinc/37/31/81/556373181.db2.gz FFQFRZBMWRGGTP-QGZVFWFLSA-N 1 0 436.516 1.594 50 0 IDAARO COc1cccc([C@@]2(CC(=O)N3CCC[C@H](OC)C3)CC(=O)N(CC[NH+](C)C)C2=O)c1 ZINC000011911506 556375202 /nfs/dbraw/zinc/37/52/02/556375202.db2.gz KSHJFJQANMGBSR-WMZHIEFXSA-N 1 0 431.533 1.281 50 0 IDAARO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000014236260 556399392 /nfs/dbraw/zinc/39/93/92/556399392.db2.gz DYOLPZDVFCYQOA-YWZLYKJASA-N 1 0 432.546 1.731 50 0 IDAARO C[NH+]1CCN(CCNC(=O)CCCN2C(=O)[C@@H](c3ccccc3)Oc3cccnc32)CC1 ZINC000022936467 556445578 /nfs/dbraw/zinc/44/55/78/556445578.db2.gz JFKWUPFXWBLFQH-JOCHJYFZSA-N 1 0 437.544 1.692 50 0 IDAARO COc1ccccc1C(=O)O[C@@H](CN1C(=O)c2ccccc2C1=O)CN1CC[NH+](C)CC1 ZINC000028293238 556451065 /nfs/dbraw/zinc/45/10/65/556451065.db2.gz GNJDTZBQETUCAK-QGZVFWFLSA-N 1 0 437.496 1.764 50 0 IDAARO CCOC(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O ZINC000015320676 556520429 /nfs/dbraw/zinc/52/04/29/556520429.db2.gz RXSJDMJKDUSMSN-XOAJZLGRSA-N 1 0 447.491 1.585 50 0 IDAARO CCn1cc(C(=O)NCCCCCC(=O)NCC[NH+](C)C)c(=O)c2cc3c(cc21)OCO3 ZINC000013629716 556538828 /nfs/dbraw/zinc/53/88/28/556538828.db2.gz RTRMJYVLRHWWTL-UHFFFAOYSA-N 1 0 444.532 1.718 50 0 IDAARO CSCC[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000015972742 556570047 /nfs/dbraw/zinc/57/00/47/556570047.db2.gz IVVLACIXMCNWIS-FLGLUGIDSA-N 1 0 433.505 1.478 50 0 IDAARO O=C1Nc2ccc(F)cc2[C@]12[NH2+][C@@H](Cc1ccccc1)[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000015972832 556570076 /nfs/dbraw/zinc/57/00/76/556570076.db2.gz CBQPJFYWMQQWAX-BYPPRKSQSA-N 1 0 449.482 1.968 50 0 IDAARO CC[NH+]1CCN(CCNC(=O)COCc2nnc(C(=O)Nc3ccc(C)cc3)s2)CC1 ZINC000032987486 556607686 /nfs/dbraw/zinc/60/76/86/556607686.db2.gz FDQNRTHEKSCWFK-UHFFFAOYSA-N 1 0 446.577 1.369 50 0 IDAARO CC[NH+]1CCN(CCNC(=O)CCCc2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000032995316 556610464 /nfs/dbraw/zinc/61/04/64/556610464.db2.gz OBOJACOYZQJJKO-UHFFFAOYSA-N 1 0 430.578 1.867 50 0 IDAARO CC(C)[NH+](CCNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1)C(C)C ZINC000032928296 556656786 /nfs/dbraw/zinc/65/67/86/556656786.db2.gz OISUTVDRKCFMPW-IBGZPJMESA-N 1 0 441.594 1.951 50 0 IDAARO O=C(c1ccccc1Cl)N(CC[NH+]1CCCCC1)CCS(=O)(=O)N1CCNCC1 ZINC000046141066 556692491 /nfs/dbraw/zinc/69/24/91/556692491.db2.gz CHRDPMUXXCCQPO-UHFFFAOYSA-N 1 0 443.013 1.503 50 0 IDAARO CCN1c2ccc(Br)cc2[C@H](NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CC)C1=O ZINC000139086327 556721320 /nfs/dbraw/zinc/72/13/20/556721320.db2.gz PLBGGYHBAOLZIC-BBRMVZONSA-N 1 0 437.338 1.573 50 0 IDAARO O=C(C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl)N1CCN(c2cc[nH+]cc2)CC1 ZINC000055089132 556733941 /nfs/dbraw/zinc/73/39/41/556733941.db2.gz FFGSLELQCCRMFG-FQEVSTJZSA-N 1 0 445.926 1.913 50 0 IDAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)Nc3ccc(N4CCOCC4)nc3)cn2)CC1 ZINC000058087816 556757294 /nfs/dbraw/zinc/75/72/94/556757294.db2.gz FJLLJESMOOUZBH-UHFFFAOYSA-N 1 0 425.537 1.777 50 0 IDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C1CCN(C(=O)Nc2ccc(N3CCOCC3)nc2)CC1 ZINC000058344820 556782485 /nfs/dbraw/zinc/78/24/85/556782485.db2.gz RNQXEWSQEMWESM-FQEVSTJZSA-N 1 0 444.580 1.763 50 0 IDAARO CC[NH+]1CCN(CCNC(=O)CCc2nnc(C(=O)Nc3ccc(OC)cc3)s2)CC1 ZINC000033061864 556817536 /nfs/dbraw/zinc/81/75/36/556817536.db2.gz JCOFOUGABTZZHG-UHFFFAOYSA-N 1 0 446.577 1.485 50 0 IDAARO CC[NH+]1CCN(CCNC(=O)CCc2nnc(C(=O)Nc3ccc(C)cc3)s2)CC1 ZINC000033062074 556817897 /nfs/dbraw/zinc/81/78/97/556817897.db2.gz AZKBPYWCUQXXAQ-UHFFFAOYSA-N 1 0 430.578 1.785 50 0 IDAARO COc1ccc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)cc1OC ZINC000065364087 556835409 /nfs/dbraw/zinc/83/54/09/556835409.db2.gz FRMMRZFOZZEQIT-UHFFFAOYSA-N 1 0 447.561 1.913 50 0 IDAARO O=C([O-])[C@H](CC(=O)Nc1ccc2c(c1)OCO2)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000072405683 556841721 /nfs/dbraw/zinc/84/17/21/556841721.db2.gz WEDGTKNWWBGNHE-QGZVFWFLSA-N 1 0 432.521 1.158 50 0 IDAARO COc1cccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc(C)[nH+]3)CC2)c1 ZINC000067603808 556843597 /nfs/dbraw/zinc/84/35/97/556843597.db2.gz XJFIWKRXELKSDI-UHFFFAOYSA-N 1 0 433.534 1.141 50 0 IDAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)n1 ZINC000067630282 556845505 /nfs/dbraw/zinc/84/55/05/556845505.db2.gz QAOFSZZRELSPOV-UHFFFAOYSA-N 1 0 432.550 1.430 50 0 IDAARO COc1ccc(C[N@H+]2CCc3nnc(CNS(=O)(=O)c4ccccc4)n3CC2)cc1 ZINC000019741248 556883157 /nfs/dbraw/zinc/88/31/57/556883157.db2.gz MTYLHGKKGLQJTJ-UHFFFAOYSA-N 1 0 427.530 1.824 50 0 IDAARO COc1cc(C[N@H+]2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)cc(OC)c1 ZINC000019743497 556888318 /nfs/dbraw/zinc/88/83/18/556888318.db2.gz LWSHTGDIBAQWSC-LJQANCHMSA-N 1 0 429.521 1.191 50 0 IDAARO O=C(CCCn1cncn1)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000019771152 556913054 /nfs/dbraw/zinc/91/30/54/556913054.db2.gz JKGPBUYUFORXRI-FQEVSTJZSA-N 1 0 440.548 1.596 50 0 IDAARO CC[NH+](CC)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccccc1 ZINC000019904674 556942306 /nfs/dbraw/zinc/94/23/06/556942306.db2.gz JJBQPTVASHOMRK-HNNXBMFYSA-N 1 0 430.509 1.029 50 0 IDAARO C[NH+]1CCN(CCCNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000072436950 556972699 /nfs/dbraw/zinc/97/26/99/556972699.db2.gz GXXJYRIIMMGURW-UHFFFAOYSA-N 1 0 443.013 1.494 50 0 IDAARO COC(=O)[C@@H](CN1CC[NH+](Cc2ccccc2)CC1)[C@@](O)(c1nccn1C)C(F)(F)F ZINC000097003103 556978962 /nfs/dbraw/zinc/97/89/62/556978962.db2.gz KWGYCQSTEKBKHR-YLJYHZDGSA-N 1 0 440.466 1.777 50 0 IDAARO O=C(NCCN1CCOCC1)c1ccc(N2CCC([NH2+]CCc3ccncc3)CC2)cc1 ZINC000020109883 556984777 /nfs/dbraw/zinc/98/47/77/556984777.db2.gz SVODSUWIVJSYOU-UHFFFAOYSA-N 1 0 437.588 1.945 50 0 IDAARO CCn1ccnc1CN(C)Cc1ccc(OC)cc1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000020166992 556994108 /nfs/dbraw/zinc/99/41/08/556994108.db2.gz YISMWHZZFSYXIV-FQEVSTJZSA-N 1 0 431.581 1.531 50 0 IDAARO Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)[nH+]1 ZINC000082230232 557061479 /nfs/dbraw/zinc/06/14/79/557061479.db2.gz CXAOFBMVIZETPE-UHFFFAOYSA-N 1 0 439.488 1.411 50 0 IDAARO CCOc1cc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)CCOC)n3CC2)ccc1OC ZINC000023128838 557065888 /nfs/dbraw/zinc/06/58/88/557065888.db2.gz VBBFJSDCANRPDZ-MRXNPFEDSA-N 1 0 431.537 1.957 50 0 IDAARO CC[NH+](CC)CCNC(=O)c1nnc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)o1 ZINC000033292327 557070610 /nfs/dbraw/zinc/07/06/10/557070610.db2.gz YJXAJRQKTMJVQE-UHFFFAOYSA-N 1 0 435.550 1.983 50 0 IDAARO CC[NH+](CC)[C@@H](CNC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O)c1ccccc1Cl ZINC000048362430 557074310 /nfs/dbraw/zinc/07/43/10/557074310.db2.gz IIYNHOVVIVCVMF-HNNXBMFYSA-N 1 0 446.939 1.735 50 0 IDAARO CC(C)(C)NC(=O)CN1CCCN(CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000023257953 557080266 /nfs/dbraw/zinc/08/02/66/557080266.db2.gz PPJJQUXEUAZYSN-UHFFFAOYSA-N 1 0 443.636 1.690 50 0 IDAARO CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCC[N@H+](Cc3ccccc3)CC1)C2=O ZINC000023355293 557087006 /nfs/dbraw/zinc/08/70/06/557087006.db2.gz PZEFQUZSRFBTDD-UHFFFAOYSA-N 1 0 427.549 1.726 50 0 IDAARO CCn1c(=O)c2ccccc2n(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1=O ZINC000023675323 557105704 /nfs/dbraw/zinc/10/57/04/557105704.db2.gz BKDQSQDFLCCDJY-UHFFFAOYSA-N 1 0 428.533 1.334 50 0 IDAARO COc1ccc(-c2cc3c(=O)n(CC(=O)NCCC[N@@H+]4CCC[C@@H](C)C4)ncn3n2)cc1 ZINC000033331638 557115565 /nfs/dbraw/zinc/11/55/65/557115565.db2.gz YVMAPVWAMHMJTN-QGZVFWFLSA-N 1 0 438.532 1.805 50 0 IDAARO Cc1nc2c(c(C)c1CCC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)c(=O)n(C)c(=O)n2C ZINC000006772850 557129378 /nfs/dbraw/zinc/12/93/78/557129378.db2.gz MXHDHRSWWGXFKP-KRWDZBQOSA-N 1 0 429.565 1.276 50 0 IDAARO CC(C)CC(=O)N1CCC2(CC1)OC[C@H](C(=O)NCC[NH+](C)C)N2C(=O)c1ccco1 ZINC000096210102 557183017 /nfs/dbraw/zinc/18/30/17/557183017.db2.gz HASFPKWQBFWJJD-QGZVFWFLSA-N 1 0 434.537 1.163 50 0 IDAARO CC1CC[NH+](Cc2ccc(CNC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)cc2)CC1 ZINC000024898068 557196823 /nfs/dbraw/zinc/19/68/23/557196823.db2.gz IEADMQCQVAFEOF-UHFFFAOYSA-N 1 0 435.528 1.794 50 0 IDAARO C[NH+](C)[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1cccs1 ZINC000025436658 557209708 /nfs/dbraw/zinc/20/97/08/557209708.db2.gz ZACHHHWKAARCLU-KRWDZBQOSA-N 1 0 441.550 1.941 50 0 IDAARO CC[C@@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)CCS1 ZINC000072305284 557283132 /nfs/dbraw/zinc/28/31/32/557283132.db2.gz GNLLWXJLTHKOGU-GOSISDBHSA-N 1 0 439.603 1.550 50 0 IDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nn(CCOC)c2c1CN(Cc1nccs1)CC2 ZINC000014535394 557340063 /nfs/dbraw/zinc/34/00/63/557340063.db2.gz YQQFDGLOMILHOJ-MRXNPFEDSA-N 1 0 432.594 1.758 50 0 IDAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)C1 ZINC000004876180 557400281 /nfs/dbraw/zinc/40/02/81/557400281.db2.gz NQWHUIQXBYUFSI-KDURUIRLSA-N 1 0 426.561 1.992 50 0 IDAARO COc1ccc(Cl)cc1S(=O)(=O)N(CCC(=O)N1CC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000045944364 557553186 /nfs/dbraw/zinc/55/31/86/557553186.db2.gz SAWXIIOEXFXVFY-INIZCTEOSA-N 1 0 445.969 1.340 50 0 IDAARO COCCCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000045944819 557553568 /nfs/dbraw/zinc/55/35/68/557553568.db2.gz RUNHYQOZHSVRBT-UHFFFAOYSA-N 1 0 425.595 1.734 50 0 IDAARO CCN(CCC[NH+](CC)CC)C(=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000225576604 557745595 /nfs/dbraw/zinc/74/55/95/557745595.db2.gz KPSIDOSUPVITFG-UHFFFAOYSA-N 1 0 429.583 1.953 50 0 IDAARO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)CCNC3=NS(=O)(=O)c4ccccc43)C1)CCCC2 ZINC000225735813 557770412 /nfs/dbraw/zinc/77/04/12/557770412.db2.gz VXCBQTXGCISVNB-INIZCTEOSA-N 1 0 441.557 1.973 50 0 IDAARO C[NH+](C)CCn1ccc(NC(=O)C(=O)Nc2cc(C(F)(F)F)cc3c2OCC(=O)N3)n1 ZINC000225854488 557785482 /nfs/dbraw/zinc/78/54/82/557785482.db2.gz VYPXUXZATWWTLN-UHFFFAOYSA-N 1 0 440.382 1.372 50 0 IDAARO O=C(CC[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000025051020 557856853 /nfs/dbraw/zinc/85/68/53/557856853.db2.gz IUEOUOHUZYYRJK-UHFFFAOYSA-N 1 0 443.529 1.628 50 0 IDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000004077260 562941548 /nfs/dbraw/zinc/94/15/48/562941548.db2.gz GEEQKJAEZUJADN-CABCVRRESA-N 1 0 437.591 1.693 50 0 IDAARO CCCC[N@H+](C)CCNC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000009677523 562975431 /nfs/dbraw/zinc/97/54/31/562975431.db2.gz GTOFIDTYDMCUNQ-UHFFFAOYSA-N 1 0 439.607 1.940 50 0 IDAARO CCC[NH+]1CCN(CC2=C(C(=O)OCC)[C@H](c3cccc(OC)c3OC)NC(=O)N2)CC1 ZINC000020283671 563024369 /nfs/dbraw/zinc/02/43/69/563024369.db2.gz XHCBDWFPUYGCPJ-FQEVSTJZSA-N 1 0 446.548 1.903 50 0 IDAARO CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)C[NH2+]CCCN2CCOCC2)c1 ZINC000005979290 568739747 /nfs/dbraw/zinc/73/97/47/568739747.db2.gz BPGUAQGBOXAQIP-UHFFFAOYSA-N 1 0 426.583 1.276 50 0 IDAARO O=C(NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1[nH]nc2ccccc21 ZINC000299756923 568755522 /nfs/dbraw/zinc/75/55/22/568755522.db2.gz DTMKJZHQIZSVNT-SFHVURJKSA-N 1 0 425.533 1.642 50 0 IDAARO COc1ccc(-c2cc3c(=O)n(CC(=O)NCC[N@@H+]4CCCC[C@@H]4C)nc(C)n3n2)cc1 ZINC000015772692 568822802 /nfs/dbraw/zinc/82/28/02/568822802.db2.gz ZBKNBTZTHYUNGA-INIZCTEOSA-N 1 0 438.532 1.866 50 0 IDAARO CN(C)S(=O)(=O)c1ccc2c(c1)nnn2CCCC(=O)NCC[NH+]1CCCCCC1 ZINC000085648438 568830611 /nfs/dbraw/zinc/83/06/11/568830611.db2.gz JXPNUEQYUVKBLK-UHFFFAOYSA-N 1 0 436.582 1.454 50 0 IDAARO CC[NH+]1CCN(c2ccc(N3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)nn2)CC1 ZINC000015882350 568856382 /nfs/dbraw/zinc/85/63/82/568856382.db2.gz UDKXMQAXHTWRIA-UHFFFAOYSA-N 1 0 444.605 1.746 50 0 IDAARO C[C@H](O)[C@@H]1N[C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015959888 568860485 /nfs/dbraw/zinc/86/04/85/568860485.db2.gz ZDZLHYCCYICKBX-RABSLMHOSA-N 1 0 439.899 1.684 50 0 biogenic IDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000015970502 568861530 /nfs/dbraw/zinc/86/15/30/568861530.db2.gz WDTCIIAPTUSGIT-PDFGSZSQSA-N 1 0 444.491 1.777 50 0 biogenic IDAARO CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000006194039 568876683 /nfs/dbraw/zinc/87/66/83/568876683.db2.gz FCFJNXLGFJVGRL-UHFFFAOYSA-N 1 0 437.331 1.920 50 0 IDAARO Cc1ccc(CN2CCN(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)C(=O)C2=O)cc1 ZINC000064888668 568979573 /nfs/dbraw/zinc/97/95/73/568979573.db2.gz FZYBFZXEKBWYMU-UHFFFAOYSA-N 1 0 448.567 1.947 50 0 IDAARO Cc1nc2c(c(C)c1CCC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)c(=O)n(C)c(=O)n2C ZINC000006772851 568983225 /nfs/dbraw/zinc/98/32/25/568983225.db2.gz MXHDHRSWWGXFKP-QGZVFWFLSA-N 1 0 429.565 1.276 50 0 IDAARO COCCN(C[C@@H]1CN(C[C@@H](O)C[NH+]2CCCCC2)CCO1)C(=O)c1ccc(OC)cc1 ZINC000169680616 568991895 /nfs/dbraw/zinc/99/18/95/568991895.db2.gz GDARETBOYCSOJZ-GMAHTHKFSA-N 1 0 449.592 1.331 50 0 IDAARO CN1c2cc(C(=O)N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)ccc2C(=O)N2CCC[C@H]21 ZINC000169765925 569096754 /nfs/dbraw/zinc/09/67/54/569096754.db2.gz PIPUIHFGDJIIJO-FQEVSTJZSA-N 1 0 439.560 1.645 50 0 IDAARO CC(=O)Nc1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NC2CCCC2)cc1 ZINC000065074696 569098931 /nfs/dbraw/zinc/09/89/31/569098931.db2.gz GMIXMLIHHSBMDR-UHFFFAOYSA-N 1 0 433.578 1.702 50 0 biogenic IDAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000006894320 569103368 /nfs/dbraw/zinc/10/33/68/569103368.db2.gz OQXOPCSVFMZODY-RTBURBONSA-N 1 0 430.615 1.046 50 0 IDAARO Cc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCC[NH+]3CCCCC3)c2=O)cc1 ZINC000065212588 569116741 /nfs/dbraw/zinc/11/67/41/569116741.db2.gz RXWHUJJSTFSJFF-UHFFFAOYSA-N 1 0 446.573 1.868 50 0 IDAARO COc1cc2c(cc1OC)CN1C(=O)N(CCCC(=O)NCCC[NH+](C)C)C(=O)[C@H]1C2 ZINC000036569646 569118339 /nfs/dbraw/zinc/11/83/39/569118339.db2.gz JLADMFSCNPYYFB-QGZVFWFLSA-N 1 0 432.521 1.241 50 0 IDAARO O=C(CCC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000036576375 569118493 /nfs/dbraw/zinc/11/84/93/569118493.db2.gz GHPGYLQPBJKRLB-IVAOSVALSA-N 1 0 440.588 1.955 50 0 IDAARO CC(=O)Nc1cccc2c1ccn2CC(=O)NCC[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000524730396 569125933 /nfs/dbraw/zinc/12/59/33/569125933.db2.gz HYEWPZQQASBYDX-MOPGFXCFSA-N 1 0 447.539 1.997 50 0 biogenic IDAARO Cc1ccccc1[C@@H]1N=C(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)NC(=[NH2+])N1 ZINC000013578935 569155986 /nfs/dbraw/zinc/15/59/86/569155986.db2.gz DIUGBKVPJIODAJ-INIZCTEOSA-N 1 0 432.531 1.287 50 0 IDAARO Cc1cccc([C@@H]2N=C(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)NC(=[NH2+])N2)c1 ZINC000013578880 569156031 /nfs/dbraw/zinc/15/60/31/569156031.db2.gz FAEZBHSYDCFKNR-INIZCTEOSA-N 1 0 432.531 1.287 50 0 IDAARO Cc1ccc(S(=O)(=O)N2CCN(c3nc(N4CCOCC4)cc(C)[nH+]3)CC2)c(C)c1 ZINC000017025986 569170966 /nfs/dbraw/zinc/17/09/66/569170966.db2.gz XEVQVRAJIVZQBG-UHFFFAOYSA-N 1 0 431.562 1.749 50 0 IDAARO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(CCNS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000252494250 569187843 /nfs/dbraw/zinc/18/78/43/569187843.db2.gz NPQNYDMRINPOHT-NRFANRHFSA-N 1 0 449.617 1.912 50 0 IDAARO O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000078878537 569319865 /nfs/dbraw/zinc/31/98/65/569319865.db2.gz NYZHANYQZSFEDM-AWEZNQCLSA-N 1 0 448.614 1.887 50 0 IDAARO COC(=O)[C@@]1(NC(=O)Cc2ccc(-n3cnnn3)cc2)CCC[N@H+](Cc2ccccc2)C1 ZINC000079071278 569324594 /nfs/dbraw/zinc/32/45/94/569324594.db2.gz OBQJHJUYFFUBPO-HSZRJFAPSA-N 1 0 434.500 1.529 50 0 IDAARO C[C@H](NC(=O)C(=O)NCC[NH+](C)C)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020288212 569359357 /nfs/dbraw/zinc/35/93/57/569359357.db2.gz REPWYFXTXYQBNW-RXVVDRJESA-N 1 0 443.617 1.794 50 0 IDAARO O=C(Cn1ncc2ccsc2c1=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020355432 569361387 /nfs/dbraw/zinc/36/13/87/569361387.db2.gz YHNIJBQDDCRVCN-UHFFFAOYSA-N 1 0 425.558 1.782 50 0 IDAARO CCC[NH+]1CCN(CCCNC(=O)Cn2nc(CC)n3c4ccsc4cc3c2=O)CC1 ZINC000020384087 569362880 /nfs/dbraw/zinc/36/28/80/569362880.db2.gz XZUWYWPGXHZLNG-UHFFFAOYSA-N 1 0 444.605 1.807 50 0 IDAARO CCc1nn(CC(=O)NCCCN2CC[NH+](CC)CC2)c(=O)c2cc3sccc3n21 ZINC000020384071 569362887 /nfs/dbraw/zinc/36/28/87/569362887.db2.gz PADAAOBWXGJCRH-UHFFFAOYSA-N 1 0 430.578 1.417 50 0 IDAARO CCOc1cc(CN2CC[NH+](CCO)CC2)cc(Br)c1OCC(=O)N(C)C ZINC000095395492 569363536 /nfs/dbraw/zinc/36/35/36/569363536.db2.gz FAJUNOMLXLAZEZ-UHFFFAOYSA-N 1 0 444.370 1.425 50 0 IDAARO CN(C[C@H](O)CN1CC[NH+](C)CC1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000095406736 569364693 /nfs/dbraw/zinc/36/46/93/569364693.db2.gz TWYISXCDROWVAC-QUCCMNQESA-N 1 0 436.984 1.259 50 0 IDAARO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000095407223 569364704 /nfs/dbraw/zinc/36/47/04/569364704.db2.gz UVJXTFDSSKPFSH-UHFFFAOYSA-N 1 0 434.518 1.425 50 0 IDAARO CC(C)c1ccc(Cn2nccc2NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000095444227 569366934 /nfs/dbraw/zinc/36/69/34/569366934.db2.gz WZBCCGNLXMLUGL-IBGZPJMESA-N 1 0 440.592 1.993 50 0 IDAARO O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000504366800 569445419 /nfs/dbraw/zinc/44/54/19/569445419.db2.gz DDMXRBMHNURWSL-BZSNNMDCSA-N 1 0 442.516 1.607 50 0 IDAARO CC[NH+]1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCCOc2ccccc2)CC1 ZINC000004317979 569461997 /nfs/dbraw/zinc/46/19/97/569461997.db2.gz INILIBPVFBCRKQ-UHFFFAOYSA-N 1 0 426.521 1.045 50 0 IDAARO Cn1nnc(-c2ccc(C(=O)N[C@@H]3C4CN5CC3(c3ccccc3)C[N@H+](C4)CC5)cc2)n1 ZINC000670471868 569464839 /nfs/dbraw/zinc/46/48/39/569464839.db2.gz VXISKJRKQXTGBN-KWLQHXCVSA-N 1 0 429.528 1.175 50 0 IDAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)NC(=O)N[C@@H]1c1cccc(Br)c1 ZINC000067286194 569466872 /nfs/dbraw/zinc/46/68/72/569466872.db2.gz OYNXGWXGLDUKJN-QGZVFWFLSA-N 1 0 437.338 1.868 50 0 IDAARO CCOC(=O)C1=C(CN2CCC[N@H+](C)CC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000067285907 569466931 /nfs/dbraw/zinc/46/69/31/569466931.db2.gz BUSTUKBUQGYUCX-HXUWFJFHSA-N 1 0 432.521 1.512 50 0 IDAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)NC(=O)N[C@@H]1c1cc(OC)c(OC)cc1OC ZINC000067287410 569467190 /nfs/dbraw/zinc/46/71/90/569467190.db2.gz YQMMCDXAEHUHAN-HXUWFJFHSA-N 1 0 448.520 1.131 50 0 IDAARO O=C(CN1C(=O)NC2(CC[NH+](Cc3ccccc3)CC2)C1=O)Nc1ccc2c(c1)OCO2 ZINC000008769217 569474996 /nfs/dbraw/zinc/47/49/96/569474996.db2.gz YLYZPPFCOITMSQ-UHFFFAOYSA-N 1 0 436.468 1.940 50 0 IDAARO C[C@@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCC[NH+]3CCCC3)c2c1 ZINC000008812077 569476588 /nfs/dbraw/zinc/47/65/88/569476588.db2.gz LQMVCVZKXULUKR-MRXNPFEDSA-N 1 0 446.573 1.917 50 0 IDAARO CN1CC[N@H+](CCCNC(=O)CNC(=O)c2ccc3c(c2)OCO3)[C@H](c2ccccc2)C1 ZINC000040087351 569486738 /nfs/dbraw/zinc/48/67/38/569486738.db2.gz BARKDVHMEYZLPF-FQEVSTJZSA-N 1 0 438.528 1.640 50 0 IDAARO CC[NH+]1CCN(CCCNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 ZINC000040089505 569487125 /nfs/dbraw/zinc/48/71/25/569487125.db2.gz KIMQMFXOJNWJAN-UHFFFAOYSA-N 1 0 434.562 1.516 50 0 IDAARO O=C(CC[N@@H+]1CCC[C@@H](C(=O)Nc2cnccn2)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000040149661 569492621 /nfs/dbraw/zinc/49/26/21/569492621.db2.gz OXZNYKQGPBSJNC-GOSISDBHSA-N 1 0 438.532 1.993 50 0 IDAARO C[C@H]1CN(S(=O)(=O)CC[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C[C@H](C)O1 ZINC000040153288 569493578 /nfs/dbraw/zinc/49/35/78/569493578.db2.gz LOECRDYILAHGBB-GJZGRUSLSA-N 1 0 436.534 1.377 50 0 IDAARO 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/nfs/dbraw/zinc/74/43/87/555744387.db2.gz JWTOCEVOPNUUCZ-INIZCTEOSA-N 1 0 425.533 1.974 50 0 IDAARO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000032759763 556320130 /nfs/dbraw/zinc/32/01/30/556320130.db2.gz ZIELZIUISFWXSI-LJQANCHMSA-N 1 0 434.537 1.834 50 0 IDAARO CCOC(=O)C[C@H]1COCCN1Cc1c(C(=O)N2CCC[N@H+](C)CC2)nc2sccn12 ZINC000011664013 556344725 /nfs/dbraw/zinc/34/47/25/556344725.db2.gz VOGLVQBYCUJUEW-INIZCTEOSA-N 1 0 449.577 1.328 50 0 IDAARO COC(=O)[C@@H]1CCCN1C(=O)C[C@@]1(c2ccccc2C)CC(=O)N(CC[NH+](C)C)C1=O ZINC000011841043 556365220 /nfs/dbraw/zinc/36/52/20/556365220.db2.gz FAPYJUOVWONJPI-MBSDFSHPSA-N 1 0 429.517 1.107 50 0 IDAARO O=C(NCc1nnc2n1CC[N@@H+](Cc1ccc(OCCO)cc1)CC2)c1cccc(F)c1 ZINC000011869616 556368590 /nfs/dbraw/zinc/36/85/90/556368590.db2.gz BPMOSBSIOCFVQN-UHFFFAOYSA-N 1 0 439.491 1.777 50 0 IDAARO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000014236252 556399397 /nfs/dbraw/zinc/39/93/97/556399397.db2.gz DYOLPZDVFCYQOA-MGPUTAFESA-N 1 0 432.546 1.731 50 0 IDAARO C[NH+](C)CCN1C(=O)C[C@](CC(=O)N2CCCC[C@H]2CCO)(c2ccccc2F)C1=O ZINC000012184522 556402765 /nfs/dbraw/zinc/40/27/65/556402765.db2.gz DNPVNJRZXHOCDH-GAJHUEQPSA-N 1 0 433.524 1.538 50 0 IDAARO COC(=O)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](C3CCOCC3)CC2)C1=O ZINC000014540343 556425323 /nfs/dbraw/zinc/42/53/23/556425323.db2.gz IPKHRRLWFVAJBI-UHFFFAOYSA-N 1 0 429.517 1.680 50 0 IDAARO O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2C[C@@H]([NH2+]Cc3cnn(-c4cccc(F)c4)c3)C[C@@H]12 ZINC000014746987 556441522 /nfs/dbraw/zinc/44/15/22/556441522.db2.gz MWFLNVAYOHPAMP-NYVOZVTQSA-N 1 0 449.486 1.517 50 0 IDAARO CC(C)C[N@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H](C(=O)NCCN2CCOCC2)C1 ZINC000014750403 556443328 /nfs/dbraw/zinc/44/33/28/556443328.db2.gz AZOCOIICLCZISW-RBUKOAKNSA-N 1 0 434.556 1.807 50 0 IDAARO Cc1nn(C)cc1C[NH+]1CCC2(CC1)C(=O)N(CC(N)=O)C(=O)N2CCc1ccccc1 ZINC000014752900 556444079 /nfs/dbraw/zinc/44/40/79/556444079.db2.gz IBHZMWRVKJEPTD-UHFFFAOYSA-N 1 0 438.532 1.055 50 0 IDAARO COc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1OC ZINC000014882992 556454470 /nfs/dbraw/zinc/45/44/70/556454470.db2.gz GZSMECAPKRMSEO-UHFFFAOYSA-N 1 0 425.489 1.919 50 0 IDAARO CCCCn1c2nc(CCC(=O)NC3CC[NH+](CC)CC3)n(CC(C)C)c2c(=O)[nH]c1=O ZINC000029606221 556478707 /nfs/dbraw/zinc/47/87/07/556478707.db2.gz HNTKJDMYGBBUAF-UHFFFAOYSA-N 1 0 446.596 1.876 50 0 IDAARO O=C(c1nc2ccccn2c1CN1CCNC(=O)CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000015072441 556497041 /nfs/dbraw/zinc/49/70/41/556497041.db2.gz JGSKJSSRIPDALJ-UHFFFAOYSA-N 1 0 438.576 1.747 50 0 IDAARO O=C(c1cn(CC[NH+]2CCCCC2)nn1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000015075169 556498914 /nfs/dbraw/zinc/49/89/14/556498914.db2.gz IICFPVXTPYVEKF-UHFFFAOYSA-N 1 0 426.521 1.451 50 0 IDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000013573276 556523764 /nfs/dbraw/zinc/52/37/64/556523764.db2.gz UMSWYBBSMHRQPH-XTDOFWJNSA-N 1 0 436.306 1.472 50 0 IDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000013573279 556523797 /nfs/dbraw/zinc/52/37/97/556523797.db2.gz UMSWYBBSMHRQPH-XMDUPGNXSA-N 1 0 436.306 1.472 50 0 IDAARO CN(CC[C@H]1CCCC[N@@H+]1C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000072305214 556550254 /nfs/dbraw/zinc/55/02/54/556550254.db2.gz QSRGEJLNSSSVCS-GOSISDBHSA-N 1 0 440.585 1.465 50 0 IDAARO COCCNC(=O)Cn1cc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cn1 ZINC000072309770 556573143 /nfs/dbraw/zinc/57/31/43/556573143.db2.gz WNAOSQFSVWWSCT-UHFFFAOYSA-N 1 0 432.500 1.571 50 0 IDAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@]21C(=O)Nc2ccc(F)cc21 ZINC000016022182 556575688 /nfs/dbraw/zinc/57/56/88/556575688.db2.gz SCWXIHJWDBJOSQ-FDGPYGQJSA-N 1 0 437.471 1.825 50 0 IDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(N2CCCCS2(=O)=O)c(OC)c1 ZINC000040284027 556634763 /nfs/dbraw/zinc/63/47/63/556634763.db2.gz VYYZAMYHUHPMEK-INIZCTEOSA-N 1 0 438.550 1.164 50 0 IDAARO Cc1ccc(NS(=O)(=O)c2ccccc2)c(=O)n1CC(=O)NCC[NH+]1CCCCC1 ZINC000097938464 556634966 /nfs/dbraw/zinc/63/49/66/556634966.db2.gz OTJQZUFLOLPYPH-UHFFFAOYSA-N 1 0 432.546 1.560 50 0 IDAARO CC[NH+]1CCN(CCNC(=O)CSc2nnc(C(=O)Nc3ccc(C)cc3)s2)CC1 ZINC000033011795 556659847 /nfs/dbraw/zinc/65/98/47/556659847.db2.gz MFUUAKRIDKXSDM-UHFFFAOYSA-N 1 0 448.618 1.945 50 0 IDAARO O=C(NCC[NH+]1CCCCCC1)[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc21 ZINC000013521498 556676119 /nfs/dbraw/zinc/67/61/19/556676119.db2.gz DYHJYPRPHIBGBH-MRXNPFEDSA-N 1 0 437.591 1.837 50 0 IDAARO C[C@@H]1CCCC[N@@H+]1CCN(CCS(=O)(=O)N1CCNCC1)C(=O)Cc1cccs1 ZINC000046141058 556692477 /nfs/dbraw/zinc/69/24/77/556692477.db2.gz QCVRTCSFRVUDQB-GOSISDBHSA-N 1 0 442.651 1.229 50 0 IDAARO O=C(c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccccc2)c1)N1CCOCC1 ZINC000033033035 556713571 /nfs/dbraw/zinc/71/35/71/556713571.db2.gz NJDIEFHXMMWLDF-UHFFFAOYSA-N 1 0 430.530 1.369 50 0 IDAARO COCCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000033034098 556715815 /nfs/dbraw/zinc/71/58/15/556715815.db2.gz STMOKTAVYXHLIS-UHFFFAOYSA-N 1 0 446.573 1.890 50 0 IDAARO COCCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2cccc(OC)c2)c1 ZINC000033034125 556715866 /nfs/dbraw/zinc/71/58/66/556715866.db2.gz GDPMGMMNPLIWJH-UHFFFAOYSA-N 1 0 448.545 1.282 50 0 IDAARO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@]21c2ccccc2NC1=O ZINC000033905410 556722936 /nfs/dbraw/zinc/72/29/36/556722936.db2.gz WYHKLPVCPMYCBN-UAKAABGRSA-N 1 0 431.448 1.904 50 0 biogenic IDAARO COC(=O)c1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)cc1 ZINC000019299926 556735055 /nfs/dbraw/zinc/73/50/55/556735055.db2.gz UXPZKQNFJVGRBL-INIZCTEOSA-N 1 0 441.532 1.727 50 0 IDAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)NCCN4CCOCC4)c(C)c32)CC1 ZINC000033048386 556744706 /nfs/dbraw/zinc/74/47/06/556744706.db2.gz ZPGJRGGQRPLXEV-UHFFFAOYSA-N 1 0 432.594 1.594 50 0 IDAARO Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000058055695 556756002 /nfs/dbraw/zinc/75/60/02/556756002.db2.gz JIODJSMTHTYTTH-LEWJYISDSA-N 1 0 432.590 1.850 50 0 IDAARO CCOC(=O)N1CCN(S(=O)(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)CC1 ZINC000058064334 556756431 /nfs/dbraw/zinc/75/64/31/556756431.db2.gz XEJHHFYBXDYRAK-IBGZPJMESA-N 1 0 440.566 1.441 50 0 IDAARO C[C@H](CC[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCC(N2CCNC2=O)CC1 ZINC000058174530 556769199 /nfs/dbraw/zinc/76/91/99/556769199.db2.gz INDBKPQYKFCJOA-LJQANCHMSA-N 1 0 428.581 1.786 50 0 IDAARO C[NH+]1CCC(CCNC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)CC1 ZINC000058210310 556771975 /nfs/dbraw/zinc/77/19/75/556771975.db2.gz DRAQOSOTROFLCH-UHFFFAOYSA-N 1 0 428.986 1.984 50 0 IDAARO O=C(COc1coc(CN2CCOCC2)cc1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000072401901 556801787 /nfs/dbraw/zinc/80/17/87/556801787.db2.gz JFAWHLBHUNDGFQ-UHFFFAOYSA-N 1 0 441.528 1.632 50 0 IDAARO Cc1ccc([C@H]2Cn3nnc(C(=O)N4CCC(C(=O)NCC[NH+](C)C)CC4)c3CO2)cc1 ZINC000097943776 556813681 /nfs/dbraw/zinc/81/36/81/556813681.db2.gz YCTZDNWBVATLGO-HXUWFJFHSA-N 1 0 440.548 1.388 50 0 IDAARO Cc1cc(N2CCN(C(=O)Nc3ccc4c(c3)OCCO4)CC2)nc(N2CCOCC2)[nH+]1 ZINC000064800411 556827241 /nfs/dbraw/zinc/82/72/41/556827241.db2.gz KKTCKWFKQAPCIM-UHFFFAOYSA-N 1 0 440.504 1.747 50 0 IDAARO Cc1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)nc(N2CCOCC2)[nH+]1 ZINC000065362336 556834262 /nfs/dbraw/zinc/83/42/62/556834262.db2.gz YEYOSTFYEKRHKM-UHFFFAOYSA-N 1 0 439.488 1.411 50 0 IDAARO Cc1cc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nc(N2CCOCC2)[nH+]1 ZINC000065363808 556835159 /nfs/dbraw/zinc/83/51/59/556835159.db2.gz PCEDYKJSIUCRNA-UHFFFAOYSA-N 1 0 437.953 1.786 50 0 IDAARO Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(N4CCOCC4)n3)CC2)c1 ZINC000065363961 556835423 /nfs/dbraw/zinc/83/54/23/556835423.db2.gz VCRLKDPSQGHZBM-UHFFFAOYSA-N 1 0 431.562 1.749 50 0 IDAARO Cc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)[nH+]1 ZINC000065365696 556836091 /nfs/dbraw/zinc/83/60/91/556836091.db2.gz CACNCYQYMDWTRF-UHFFFAOYSA-N 1 0 439.488 1.411 50 0 IDAARO COc1ccc2cc(C(=O)N3CCC(CC(=O)NCCN4CC[NH+](C)CC4)CC3)[nH]c2c1 ZINC000033113895 556860713 /nfs/dbraw/zinc/86/07/13/556860713.db2.gz CAVVELOIHZQWJO-UHFFFAOYSA-N 1 0 441.576 1.782 50 0 IDAARO Cn1c(=O)cc(N2CCC(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC2)n(C)c1=O ZINC000033124315 556864598 /nfs/dbraw/zinc/86/45/98/556864598.db2.gz QTNKJXKKGMMVPM-UHFFFAOYSA-N 1 0 439.560 1.081 50 0 IDAARO Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC[C@@H](C(=O)NCC[NH+](C)C)C3)s2)cc1 ZINC000033263232 556901590 /nfs/dbraw/zinc/90/15/90/556901590.db2.gz WBTCIAIBVGQJKG-OAHLLOKOSA-N 1 0 444.561 1.629 50 0 IDAARO CC(C)[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(-c4cc[nH]n4)o3)C2)CC1 ZINC000033262286 556901901 /nfs/dbraw/zinc/90/19/01/556901901.db2.gz JXXFZKDCAQLYMW-INIZCTEOSA-N 1 0 435.550 1.623 50 0 IDAARO COc1cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)ccc1OCC(=O)NC(C)(C)C ZINC000019922703 556943944 /nfs/dbraw/zinc/94/39/44/556943944.db2.gz IMBJGFJIVGLZEG-UHFFFAOYSA-N 1 0 449.573 1.968 50 0 IDAARO NS(=O)(=O)CC[NH+]1CCC(C(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)CC1 ZINC000097101392 556988435 /nfs/dbraw/zinc/98/84/35/556988435.db2.gz UBFXVWLFHFRTLB-LJQANCHMSA-N 1 0 436.965 1.941 50 0 IDAARO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000097163882 556994248 /nfs/dbraw/zinc/99/42/48/556994248.db2.gz HZYCZRZGJWALAV-CYBMUJFWSA-N 1 0 442.481 1.515 50 0 IDAARO CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)N3CC[NH+](C(C)C)CC3)c2c1 ZINC000025136617 557196210 /nfs/dbraw/zinc/19/62/10/557196210.db2.gz VQXYTROULRNGPJ-UHFFFAOYSA-N 1 0 434.562 1.725 50 0 IDAARO CC(C)[NH+](CCNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)C(C)C ZINC000014062087 557294594 /nfs/dbraw/zinc/29/45/94/557294594.db2.gz NXIIRTGOSZDLSD-UHFFFAOYSA-N 1 0 437.610 1.991 50 0 IDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000223221304 557447455 /nfs/dbraw/zinc/44/74/55/557447455.db2.gz RUALSOWGHQKWFF-IAGOWNOFSA-N 1 0 432.521 1.157 50 0 IDAARO COCCOCC(=O)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccn3)CC1)CCO2 ZINC000575557618 557462958 /nfs/dbraw/zinc/46/29/58/557462958.db2.gz FDRMPBCNAXSALS-FQEVSTJZSA-N 1 0 432.565 1.407 50 0 IDAARO CCOC(=O)C1=C(CN2CC[NH2+][C@@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccc(OC)cc1OC ZINC000104937916 557466148 /nfs/dbraw/zinc/46/61/48/557466148.db2.gz KIYXOXRFFPUAOO-YCRPNKLZSA-N 1 0 446.548 1.901 50 0 IDAARO COC(=O)c1ccc(OC[C@H](O)C[N@H+](CCO)C[C@@H](O)Cn2ccc3ccccc32)cc1 ZINC000012080509 557528033 /nfs/dbraw/zinc/52/80/33/557528033.db2.gz QNUHZILWONFXCK-NHCUHLMSSA-N 1 0 442.512 1.523 50 0 IDAARO CCOc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@H]2CCCO2)cc1 ZINC000045944385 557553175 /nfs/dbraw/zinc/55/31/75/557553175.db2.gz RWUBWTUXNCQEKU-GOSISDBHSA-N 1 0 425.551 1.077 50 0 IDAARO CC(C)OCCCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000045944885 557553443 /nfs/dbraw/zinc/55/34/43/557553443.db2.gz GICBQPYFIZWLPP-UHFFFAOYSA-N 1 0 433.521 1.593 50 0 IDAARO Cc1cc(C)c(S(=O)(=O)N(CCCOC(C)C)CC(=O)N2CC[NH2+]CC2)c(C)c1 ZINC000045974630 557556708 /nfs/dbraw/zinc/55/67/08/557556708.db2.gz RLWWUIRBMNYURP-UHFFFAOYSA-N 1 0 425.595 1.849 50 0 IDAARO CCCC[N@H+](C)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000008595802 562953737 /nfs/dbraw/zinc/95/37/37/562953737.db2.gz YPSCATNELRCLEL-OAHLLOKOSA-N 1 0 439.607 1.940 50 0 aggregator IDAARO CCOC(=O)N1CCN(c2c(=O)c(=O)c2NCCC[N@H+](CC)Cc2ccccc2)CC1 ZINC000013150463 562985395 /nfs/dbraw/zinc/98/53/95/562985395.db2.gz MYFVWGDYJNFUHQ-UHFFFAOYSA-N 1 0 428.533 1.885 50 0 IDAARO COC(=O)c1cn(C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)cc2c(=O)[nH]nc1-2 ZINC000263586201 568759301 /nfs/dbraw/zinc/75/93/01/568759301.db2.gz RFUGEPDPXVZEAD-AWEZNQCLSA-N 1 0 426.429 1.429 50 0 biogenic IDAARO CN1CCc2c3ccccc3n(C[C@H](O)C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c2C1=O ZINC000001323338 568780272 /nfs/dbraw/zinc/78/02/72/568780272.db2.gz JVMHZMCCBNIUKG-IPMKNSEASA-N 1 0 446.551 1.911 50 0 biogenic IDAARO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000084199705 568796062 /nfs/dbraw/zinc/79/60/62/568796062.db2.gz KBSIMFVVXBOAPF-MPGHIAIKSA-N 1 0 428.599 1.444 50 0 IDAARO O=C(CNC1=NS(=O)(=O)c2ccccc21)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000084535940 568798507 /nfs/dbraw/zinc/79/85/07/568798507.db2.gz CDHOXNAHQNAYKQ-GOSISDBHSA-N 1 0 426.542 1.754 50 0 IDAARO Cc1ccc(-n2nc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(=O)n(C)c2=O)cc1 ZINC000015786458 568836082 /nfs/dbraw/zinc/83/60/82/568836082.db2.gz XCULXIBRSWGPEC-UHFFFAOYSA-N 1 0 433.512 1.634 50 0 IDAARO CC[NH+]1CCN(c2ccc(N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)nn2)CC1 ZINC000015882343 568856321 /nfs/dbraw/zinc/85/63/21/568856321.db2.gz AAWMCPHWLQJBQC-UHFFFAOYSA-N 1 0 430.578 1.438 50 0 IDAARO NC(=O)CC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 ZINC000015958031 568860321 /nfs/dbraw/zinc/86/03/21/568860321.db2.gz AQTXQMDMTDVYHA-PBWVOLNLSA-N 1 0 438.871 1.531 50 0 biogenic IDAARO Cc1cccc2c1NC(=O)[C@]21[NH2+][C@@H](CCC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000016032934 568867598 /nfs/dbraw/zinc/86/75/98/568867598.db2.gz AKRMSGHMOGSAMH-UJAPCULTSA-N 1 0 446.507 1.224 50 0 biogenic IDAARO Cc1cccc2c1NC(=O)[C@@]21[NH2+][C@H](CCC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000016032935 568867676 /nfs/dbraw/zinc/86/76/76/568867676.db2.gz AKRMSGHMOGSAMH-NRGSMNHXSA-N 1 0 446.507 1.224 50 0 biogenic IDAARO CCOC(=O)[C@H]1CCCN(CC2=C(C(=O)OC)[C@@H](c3cccc(OC)c3)NC(=O)N2)C1 ZINC000226946166 568885471 /nfs/dbraw/zinc/88/54/71/568885471.db2.gz KSXXJFYABFYKSQ-HNAYVOBHSA-N 1 0 431.489 1.751 50 0 IDAARO COc1cccc(C[C@H](C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)n2nnnc2C)c1 ZINC000241383450 568912177 /nfs/dbraw/zinc/91/21/77/568912177.db2.gz MVLCTDLGDCHDFZ-NHCUHLMSSA-N 1 0 428.537 1.487 50 0 IDAARO O=C(CN1CCN(Cc2ccccc2)C(=O)C1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000064888480 568979101 /nfs/dbraw/zinc/97/91/01/568979101.db2.gz HNQIUWVMLMFQSR-UHFFFAOYSA-N 1 0 434.540 1.638 50 0 IDAARO C[NH+]1CCN(CCNC(=O)c2ccc3c(c2)n(Cc2ccccc2)c(=O)c2ccnn23)CC1 ZINC000169681212 568992768 /nfs/dbraw/zinc/99/27/68/568992768.db2.gz CQFVAOHLCIEQDF-UHFFFAOYSA-N 1 0 444.539 1.675 50 0 IDAARO CC[N@H+](CCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)n(C)c1=O)Cc1ccccc1 ZINC000064967018 569001510 /nfs/dbraw/zinc/00/15/10/569001510.db2.gz VJTRLNMTGJWPNS-UHFFFAOYSA-N 1 0 425.464 1.322 50 0 IDAARO COc1ccc(NC(=O)C(=O)NCC[NH+]2CCCCC2)cc1N1CCCCS1(=O)=O ZINC000036358652 569085198 /nfs/dbraw/zinc/08/51/98/569085198.db2.gz HFDHOLCPZIWQEJ-UHFFFAOYSA-N 1 0 438.550 1.166 50 0 IDAARO CC[NH+]1CCN(c2ccc(-c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)nn2)CC1 ZINC000065009476 569087991 /nfs/dbraw/zinc/08/79/91/569087991.db2.gz CUQYLFFHYZYGCL-UHFFFAOYSA-N 1 0 431.562 1.615 50 0 IDAARO COCCNC(=O)c1cc(NS(=O)(=O)c2ccc(C)c(C)c2)cnc1N1CC[NH2+]CC1 ZINC000065025237 569090549 /nfs/dbraw/zinc/09/05/49/569090549.db2.gz SKEKGRBLMGSERE-UHFFFAOYSA-N 1 0 447.561 1.285 50 0 IDAARO C[C@H](C(=O)NCCN1CC[NH+](C)CC1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000065061893 569096748 /nfs/dbraw/zinc/09/67/48/569096748.db2.gz LCKCKKWVTFITQJ-INIZCTEOSA-N 1 0 428.624 1.149 50 0 IDAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000036390518 569096716 /nfs/dbraw/zinc/09/67/16/569096716.db2.gz ZOBHKIHSBLVDOK-HXUWFJFHSA-N 1 0 428.558 1.873 50 0 IDAARO C[NH+]1CCC(N2CCN(C(=O)Cn3c4cccnc4n(-c4ccccc4)c3=O)CC2)CC1 ZINC000065202511 569115963 /nfs/dbraw/zinc/11/59/63/569115963.db2.gz LUUKKQQUDLDYQV-UHFFFAOYSA-N 1 0 434.544 1.426 50 0 IDAARO C[N@H+](CCNC(=O)C1CCN(c2cncnc2N2CCOCC2)CC1)C1CCCCC1 ZINC000065226816 569117972 /nfs/dbraw/zinc/11/79/72/569117972.db2.gz LBHMYTVCEORQKH-UHFFFAOYSA-N 1 0 430.597 1.910 50 0 IDAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cn1cnc2c1ncnc2OC ZINC000524732217 569126700 /nfs/dbraw/zinc/12/67/00/569126700.db2.gz NSOXPGCJXMAZHN-ZWKOTPCHSA-N 1 0 430.553 1.965 50 0 biogenic IDAARO CC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)N2CC[NH+](CC(C)C)CC2)CC3)CC1 ZINC000065273764 569128278 /nfs/dbraw/zinc/12/82/78/569128278.db2.gz SZAAIXOJFPKZPY-GOSISDBHSA-N 1 0 433.622 1.717 50 0 IDAARO CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC1CC[NH+](C3CC3)CC1)n2C ZINC000014528473 569159399 /nfs/dbraw/zinc/15/93/99/569159399.db2.gz DHJLZSIQVUQXHJ-UHFFFAOYSA-N 1 0 433.578 1.499 50 0 IDAARO Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)[nH+]1 ZINC000017012940 569170432 /nfs/dbraw/zinc/17/04/32/569170432.db2.gz DQANSMGKTNQIRP-UHFFFAOYSA-N 1 0 434.541 1.187 50 0 IDAARO Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)[nH+]1 ZINC000017012880 569170492 /nfs/dbraw/zinc/17/04/92/569170492.db2.gz OXMWABJTPDSCNL-UHFFFAOYSA-N 1 0 437.953 1.786 50 0 IDAARO Cc1cc(N2CCN(C)CC2)nc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)[nH+]1 ZINC000017053064 569171954 /nfs/dbraw/zinc/17/19/54/569171954.db2.gz SUAAQDKFGCWXAW-UHFFFAOYSA-N 1 0 444.605 1.665 50 0 IDAARO COc1cccc(CC(=O)N2CCC3(CC2)C[C@H]([NH+]2CCN(C(C)=O)CC2)CCO3)c1 ZINC000581820219 569211757 /nfs/dbraw/zinc/21/17/57/569211757.db2.gz YPAWASXSRFSSBU-OAQYLSRUSA-N 1 0 429.561 1.942 50 0 IDAARO C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000100656065 569258624 /nfs/dbraw/zinc/25/86/24/569258624.db2.gz RMYMOVDNWWDGFU-SUNYJGFJSA-N 1 0 427.461 1.113 50 0 IDAARO O=C1Nc2ccccc2[C@@]12[NH2+][C@@H](Cc1ccccc1)[C@H]1C(=O)N(C[C@H]3CCCO3)C(=O)[C@H]12 ZINC000253487809 569282899 /nfs/dbraw/zinc/28/28/99/569282899.db2.gz QWTPFGWYUWQUJX-OEDYICQPSA-N 1 0 431.492 1.829 50 0 IDAARO COCC[NH+]1CCC(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2F)CC1 ZINC000055089337 569287700 /nfs/dbraw/zinc/28/77/00/569287700.db2.gz CBILPJHQKGYDFB-NRFANRHFSA-N 1 0 434.556 1.333 50 0 IDAARO CCn1c(N2CCC(C(=O)N3CCC([NH+]4CCCCC4)CC3)CC2)cc(=O)n(C)c1=O ZINC000013346985 569313108 /nfs/dbraw/zinc/31/31/08/569313108.db2.gz KAMXADMWMYZXNC-UHFFFAOYSA-N 1 0 431.581 1.260 50 0 IDAARO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 ZINC000079023653 569322674 /nfs/dbraw/zinc/32/26/74/569322674.db2.gz PKTZNNDMWJADOI-SFHVURJKSA-N 1 0 449.555 1.580 50 0 IDAARO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000079060988 569323894 /nfs/dbraw/zinc/32/38/94/569323894.db2.gz ILLGNPXGINGWKR-BZUAXINKSA-N 1 0 429.608 1.772 50 0 IDAARO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)C1 ZINC000079107563 569325835 /nfs/dbraw/zinc/32/58/35/569325835.db2.gz OBTVIZCURQWYLI-OAHLLOKOSA-N 1 0 437.591 1.502 50 0 IDAARO C[C@@H](NC(=O)C(=O)NCC[NH+](C)C)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020288203 569359378 /nfs/dbraw/zinc/35/93/78/569359378.db2.gz REPWYFXTXYQBNW-WIYYLYMNSA-N 1 0 443.617 1.794 50 0 IDAARO C[C@H](CNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1)C[NH+]1CCN(C)CC1 ZINC000095461382 569369891 /nfs/dbraw/zinc/36/98/91/569369891.db2.gz UXHFBKZYIUTTAT-QGZVFWFLSA-N 1 0 441.580 1.503 50 0 IDAARO O=C(CN1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1)NCc1ccccc1OC(F)(F)F ZINC000095962960 569377241 /nfs/dbraw/zinc/37/72/41/569377241.db2.gz NHUKGOHGSNAZIM-INIZCTEOSA-N 1 0 449.495 1.443 50 0 IDAARO O=S1(=O)CCCN1c1cc(NC2CC[NH+](CCN3CCOCC3)CC2)ccc1F ZINC000095992664 569378270 /nfs/dbraw/zinc/37/82/70/569378270.db2.gz DGFBKDYZSGZYME-UHFFFAOYSA-N 1 0 426.558 1.574 50 0 IDAARO CN1CC[NH+](CC2(C)CCN(CC(=O)Nc3ccccc3SCC(N)=O)CC2)CC1 ZINC000096014163 569380401 /nfs/dbraw/zinc/38/04/01/569380401.db2.gz NLZLYAKHEQRVKC-UHFFFAOYSA-N 1 0 433.622 1.552 50 0 IDAARO CCN1C2=C(C(=O)N(C(C)(C)C(=O)NCC[NH+](C)C)C2)[C@@H](c2cccc(C)c2)NC1=O ZINC000096288259 569390446 /nfs/dbraw/zinc/39/04/46/569390446.db2.gz PACAMBZXARPDOC-LJQANCHMSA-N 1 0 427.549 1.634 50 0 IDAARO CC[NH+]1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccc(OC)c(OC)c2OC)CC(=O)N3)CC1 ZINC000670416063 569402962 /nfs/dbraw/zinc/40/29/62/569402962.db2.gz DPVFPTTWUHEBFH-AWEZNQCLSA-N 1 0 443.504 1.824 50 0 IDAARO CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000058162147 569449311 /nfs/dbraw/zinc/44/93/11/569449311.db2.gz TZUNXQWWTUEJHF-UHFFFAOYSA-N 1 0 425.533 1.743 50 0 IDAARO CN1C(=O)N(C)C(=O)C(Cc2ccco2)(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C1=O ZINC000059410029 569461188 /nfs/dbraw/zinc/46/11/88/569461188.db2.gz DBRDHYQXMNPBRH-JKSUJKDBSA-N 1 0 438.484 1.140 50 0 biogenic IDAARO CN1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)c2)CC1 ZINC000008704907 569470359 /nfs/dbraw/zinc/47/03/59/569470359.db2.gz VZIBQGWNCTZGOZ-FQEVSTJZSA-N 1 0 446.573 1.783 50 0 IDAARO O=C(CNC(=O)c1cccc(Br)c1)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008764360 569474587 /nfs/dbraw/zinc/47/45/87/569474587.db2.gz PAKXOKBZCKWNBP-UHFFFAOYSA-N 1 0 432.322 1.566 50 0 biogenic IDAARO CC[C@H](C)[C@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(=O)NCC[NH+](C)C ZINC000008879478 569481382 /nfs/dbraw/zinc/48/13/82/569481382.db2.gz UMWBQRWFAJTPSB-XOBRGWDASA-N 1 0 444.532 1.572 50 0 biogenic IDAARO C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000009059639 569499422 /nfs/dbraw/zinc/49/94/22/569499422.db2.gz PMKOPJSDETUHJS-ZDUSSCGKSA-N 1 0 446.349 1.954 50 0 IDAARO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCNC(=O)C[C@H]1c1ccccc1 ZINC000245225549 569499558 /nfs/dbraw/zinc/49/95/58/569499558.db2.gz XYJQGTFZYVPFPX-QRWLVFNGSA-N 1 0 442.541 1.175 50 0 IDAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000245343428 569504462 /nfs/dbraw/zinc/50/44/62/569504462.db2.gz OQXOPCSVFMZODY-RBUKOAKNSA-N 1 0 430.615 1.046 50 0 IDAARO Cn1c2nc3n(c2c(=O)n(CC[NH+]2CCCCC2)c1=O)CCCN3CCc1ccccc1 ZINC000009156879 569508356 /nfs/dbraw/zinc/50/83/56/569508356.db2.gz GXIKGWNPZVNNED-UHFFFAOYSA-N 1 0 436.560 1.835 50 0 IDAARO COc1ccc(C)cc1N1CCn2c1nc1c2c(=O)n(CC[NH+]2CCCCC2)c(=O)n1C ZINC000009156903 569508369 /nfs/dbraw/zinc/50/83/69/569508369.db2.gz ACBBKTKEBMXIBK-UHFFFAOYSA-N 1 0 438.532 1.851 50 0 IDAARO CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NC[C@H]3CCC[N@@H+]3CC)c2c1 ZINC000009223479 569512921 /nfs/dbraw/zinc/51/29/21/569512921.db2.gz VXUWWNJKKZZJCN-OAHLLOKOSA-N 1 0 434.562 1.773 50 0 IDAARO CC[NH+](CC)CCCNC(=O)CCCCCn1c(=O)[nH]c2cc(C(=O)OC)ccc2c1=O ZINC000009589674 569549998 /nfs/dbraw/zinc/54/99/98/569549998.db2.gz QHUXIHCMBQBSMJ-UHFFFAOYSA-N 1 0 446.548 1.885 50 0 IDAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009593186 569550431 /nfs/dbraw/zinc/55/04/31/569550431.db2.gz HSMWQNLAKNLPRO-HXUWFJFHSA-N 1 0 429.542 1.712 50 0 IDAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)C2CCC2)CC1 ZINC000009636910 569554732 /nfs/dbraw/zinc/55/47/32/569554732.db2.gz JEAQIQBZKYPGLF-UHFFFAOYSA-N 1 0 436.578 1.588 50 0 IDAARO CC1=NN(CC[NH+]2CCC(Cc3ccccc3)CC2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 ZINC000010108815 569577911 /nfs/dbraw/zinc/57/79/11/569577911.db2.gz FJMHHMKVZARXJI-UHFFFAOYSA-N 1 0 449.559 1.584 50 0 IDAARO C[NH+](C)CCNC(=O)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 ZINC000009829574 132241711 /nfs/dbraw/zinc/24/17/11/132241711.db2.gz YZXWWFJBVNDXAB-LJQANCHMSA-N 1 0 431.512 1.076 50 0 IDAARO NC(=O)C1([NH+]2CCCCC2)CCN(CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000001432915 132245342 /nfs/dbraw/zinc/24/53/42/132245342.db2.gz WTCFJGQLYNCYSE-UHFFFAOYSA-N 1 0 431.556 1.280 50 0 IDAARO CCn1cc(C(=O)NCC[NH+](CC)CC)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21 ZINC000001757038 132246620 /nfs/dbraw/zinc/24/66/20/132246620.db2.gz SVGJWOPKPTWULL-UHFFFAOYSA-N 1 0 431.556 1.984 50 0 IDAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ncccn3)CC2)=[NH+][C@@H]1c1ccc(Cl)cc1 ZINC000009420272 132316335 /nfs/dbraw/zinc/31/63/35/132316335.db2.gz VRQWTZKZHQYQGM-IAGOWNOFSA-N 1 0 442.907 1.658 50 0 IDAARO [NH3+]CCCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccc(Cl)cc3Cl)CN2C1=O ZINC000014742103 518197394 /nfs/dbraw/zinc/19/73/94/518197394.db2.gz SNAJECKVNREDCK-CQDKDKBSSA-N 1 0 428.320 1.712 50 0 IDAARO CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@H](C(=O)NCC[NH+](C)C)C3)ccc21 ZINC000021716174 519563437 /nfs/dbraw/zinc/56/34/37/519563437.db2.gz PIMWKULAYIDXHP-SFHVURJKSA-N 1 0 436.578 1.064 50 0 IDAARO CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCC[NH+](C)C)C3)ccc21 ZINC000021716173 519564264 /nfs/dbraw/zinc/56/42/64/519564264.db2.gz PIMWKULAYIDXHP-GOSISDBHSA-N 1 0 436.578 1.064 50 0 IDAARO CC(C)CCNC(=O)[C@]1(C)Cn2nc(C(=O)NCC[NH+]3CCCCC3)cc2C(=O)N1C ZINC000021875988 519662180 /nfs/dbraw/zinc/66/21/80/519662180.db2.gz VPRVFWYVEVBDKN-QFIPXVFZSA-N 1 0 432.569 1.105 50 0 IDAARO CCCC(=O)Nc1cnc(N2CC[NH2+]CC2)c(C(=O)N2CCC(C(=O)OCC)CC2)c1 ZINC000035514087 519880430 /nfs/dbraw/zinc/88/04/30/519880430.db2.gz BDPOBWAJSWPRSG-UHFFFAOYSA-N 1 0 431.537 1.645 50 0 IDAARO CCCC[N@H+](C)CCCNC(=O)C1=C(C)C(=O)OC12CCN(S(=O)(=O)CC)CC2 ZINC000021887783 520399638 /nfs/dbraw/zinc/39/96/38/520399638.db2.gz QETJWJGUTGBPOH-UHFFFAOYSA-N 1 0 429.583 1.282 50 0 biogenic IDAARO CCOC(=O)C1=C(CN2CC[NH2+][C@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccc(OC)cc1OC ZINC000035990795 520518364 /nfs/dbraw/zinc/51/83/64/520518364.db2.gz KIYXOXRFFPUAOO-QVKFZJNVSA-N 1 0 446.548 1.901 50 0 IDAARO CC[NH+](CC)CCCNC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCC1)N(C)C2=O ZINC000021874670 520619118 /nfs/dbraw/zinc/61/91/18/520619118.db2.gz XBQUUAGMDBERPP-HSZRJFAPSA-N 1 0 446.596 1.638 50 0 IDAARO CC[NH+](CC)CCN(C(=O)CN1C(=O)CCC1=O)c1nc2cc3c(cc2s1)OCO3 ZINC000012140880 520639090 /nfs/dbraw/zinc/63/90/90/520639090.db2.gz AGJMGGRSZQVSTF-UHFFFAOYSA-N 1 0 432.502 1.849 50 0 IDAARO CC[NH+](CC)CCNC(=O)CN1c2cc(C(=O)N(C)C)ccc2N2CCCC[C@@H]2C1=O ZINC000021942028 520669879 /nfs/dbraw/zinc/66/98/79/520669879.db2.gz OMCGQTAQIDMUEA-LJQANCHMSA-N 1 0 429.565 1.552 50 0 IDAARO CC1=C(C(=O)NCC[N@@H+](C)C2CCCCC2)C2(CCN(S(C)(=O)=O)CC2)OC1=O ZINC000021887597 520797197 /nfs/dbraw/zinc/79/71/97/520797197.db2.gz RIJUKZZUGDWQQC-UHFFFAOYSA-N 1 0 427.567 1.035 50 0 biogenic IDAARO CC1=C(C(=O)NCCC[N@@H+](C)Cc2ccccc2)C2(CCN(S(C)(=O)=O)CC2)OC1=O ZINC000020981018 520797606 /nfs/dbraw/zinc/79/76/06/520797606.db2.gz PMLYTTRMIZFVHL-UHFFFAOYSA-N 1 0 449.573 1.292 50 0 biogenic IDAARO CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCCN3CC[NH+](C)CC3)n2C)c1 ZINC000035509475 520814700 /nfs/dbraw/zinc/81/47/00/520814700.db2.gz GQYRZGQRZKFJPB-UHFFFAOYSA-N 1 0 435.594 1.186 50 0 IDAARO CC[NH+]1CCN(CCNC(=O)CCCN2c3cc(-c4cccn4C)nn3CCC2=O)CC1 ZINC000021644846 521682309 /nfs/dbraw/zinc/68/23/09/521682309.db2.gz DKGYURLBNBBVEK-UHFFFAOYSA-N 1 0 441.580 1.159 50 0 IDAARO COc1cc(C[NH2+]CCSc2n[nH]c(C)n2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000012716450 522452467 /nfs/dbraw/zinc/45/24/67/522452467.db2.gz MVWLARKUDLOFHH-QGZVFWFLSA-N 1 0 437.566 1.076 50 0 IDAARO COC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(CN(C)Cc3cn(C)nc3C)c2)CC1 ZINC000012571152 522915113 /nfs/dbraw/zinc/91/51/13/522915113.db2.gz QIHGZPKYHOZYJT-JOCHJYFZSA-N 1 0 444.576 1.985 50 0 IDAARO CN1C(=O)c2cc(C(=O)NCCC[NH+]3CCCCC3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021874373 523728208 /nfs/dbraw/zinc/72/82/08/523728208.db2.gz YRMQCIRPCNVCFG-QHCPKHFHSA-N 1 0 444.580 1.392 50 0 IDAARO CN1C(=O)c2cc(C(=O)NCC[NH+]3CCCC3)nn2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021875518 523729324 /nfs/dbraw/zinc/72/93/24/523729324.db2.gz JHZMHIQMIDDGKS-QHCPKHFHSA-N 1 0 444.580 1.392 50 0 IDAARO CN1C(=O)c2cc(C(=O)NCC[NH+]3CCCC3)nn2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021875522 523729831 /nfs/dbraw/zinc/72/98/31/523729831.db2.gz JHZMHIQMIDDGKS-HSZRJFAPSA-N 1 0 444.580 1.392 50 0 IDAARO COCCN1C(=O)C[C@](CC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)(c2ccccc2OC)C1=O ZINC000020453153 523799658 /nfs/dbraw/zinc/79/96/58/523799658.db2.gz UMDSYRMLSIBJHC-NTKDMRAZSA-N 1 0 445.560 1.527 50 0 IDAARO C[NH+]1CCN(CCCNC(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)o2)CC1 ZINC000035423374 523899938 /nfs/dbraw/zinc/89/99/38/523899938.db2.gz BRCOHIFIMBDTGQ-UHFFFAOYSA-N 1 0 448.527 1.658 50 0 IDAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)NCc2ccc(F)cc2)c2ccc3c(c2)OCO3)CC1 ZINC000022851246 523916883 /nfs/dbraw/zinc/91/68/83/523916883.db2.gz CFVUXYDQEBYANV-IBGZPJMESA-N 1 0 442.491 1.276 50 0 IDAARO COc1ccc(CCNC(=O)C(=O)NC[C@H](c2ccc(C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022796593 523954689 /nfs/dbraw/zinc/95/46/89/523954689.db2.gz UYEGMATYXMIHGY-HSZRJFAPSA-N 1 0 438.572 1.767 50 0 IDAARO Cc1ccc(CN2CCN(C(=O)C[C@H]3C(=O)NCC[N@@H+]3C3CCCC3)CC2=O)cc1C ZINC000012592808 524455370 /nfs/dbraw/zinc/45/53/70/524455370.db2.gz NNBFSSHKYISXBV-NRFANRHFSA-N 1 0 426.561 1.607 50 0 IDAARO COc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2ccccc2OC)cc1 ZINC000015862652 525013155 /nfs/dbraw/zinc/01/31/55/525013155.db2.gz ASFCHKADIJGTGN-UHFFFAOYSA-N 1 0 447.557 1.717 50 0 IDAARO Cc1ccc2c(c1)[C@@]1([NH2+][C@@H](CCC(N)=O)[C@H]3C(=O)N(CCc4ccccc4)C(=O)[C@H]31)C(=O)N2 ZINC000015959799 526195839 /nfs/dbraw/zinc/19/58/39/526195839.db2.gz ZELGVVJNMXXSOY-HOSCZWGSSA-N 1 0 446.507 1.224 50 0 biogenic IDAARO O=C([C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000022912571 526469873 /nfs/dbraw/zinc/46/98/73/526469873.db2.gz FBNCHCKQIIKAGJ-GOSISDBHSA-N 1 0 440.635 1.389 50 0 IDAARO Cn1c(=O)c(N2CCC[C@@H](C(=O)NCCC[NH+]3CCCCCC3)C2)nc2cccnc21 ZINC000033006407 527022783 /nfs/dbraw/zinc/02/27/83/527022783.db2.gz LGIFLUZYQIJEQZ-GOSISDBHSA-N 1 0 426.565 1.927 50 0 IDAARO Cn1c2ccccc2n(CC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)c(=O)c1=O ZINC000021943772 527111337 /nfs/dbraw/zinc/11/13/37/527111337.db2.gz LQGQTUOHHDFQHG-UHFFFAOYSA-N 1 0 449.555 1.024 50 0 IDAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ncccn3)CC2)=[NH+][C@@H]1c1ccc(F)cc1 ZINC000009477237 535503148 /nfs/dbraw/zinc/50/31/48/535503148.db2.gz FABFWRPBJOPIJF-DLBZAZTESA-N 1 0 426.452 1.144 50 0 IDAARO O=C(NCc1ccccc1)c1coc(CN2CCN(C[C@@H](O)C[NH+]3CCCCC3)CC2)n1 ZINC000034677085 555795015 /nfs/dbraw/zinc/79/50/15/555795015.db2.gz CWLKLWFCCPHDAI-NRFANRHFSA-N 1 0 441.576 1.569 50 0 IDAARO O=C(NCC[NH+]1CCCC1)c1coc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)n1 ZINC000034684337 555819817 /nfs/dbraw/zinc/81/98/17/555819817.db2.gz AOGYHTJTGCCFDS-UHFFFAOYSA-N 1 0 441.532 1.547 50 0 IDAARO CCCOc1ccc(N2C(=O)C[C@@H](N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)C2=O)cc1 ZINC000004177320 555973788 /nfs/dbraw/zinc/97/37/88/555973788.db2.gz AMHSUMOVRFLORS-HXUWFJFHSA-N 1 0 442.560 1.913 50 0 IDAARO CSCC[C@@H](NC(=O)c1cccs1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008743158 556207652 /nfs/dbraw/zinc/20/76/52/556207652.db2.gz XELGBTYOVSOPIJ-OAHLLOKOSA-N 1 0 433.603 1.986 50 0 IDAARO COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)c(OC)c1 ZINC000022766241 556234030 /nfs/dbraw/zinc/23/40/30/556234030.db2.gz FTADONOGKKHOEF-SFHVURJKSA-N 1 0 432.546 1.809 50 0 IDAARO COc1cc2c(cc1OC)CN1C(=O)N(CCCC(=O)NCCC[NH+](C)C)C(=O)[C@@H]1C2 ZINC000013691953 556281370 /nfs/dbraw/zinc/28/13/70/556281370.db2.gz JLADMFSCNPYYFB-KRWDZBQOSA-N 1 0 432.521 1.241 50 0 IDAARO Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)C[NH+](C(C)C)C(C)C)C2)cnn1C ZINC000013960432 556347698 /nfs/dbraw/zinc/34/76/98/556347698.db2.gz GQHVSQUGHNTAPE-AEFFLSMTSA-N 1 0 427.615 1.753 50 0 IDAARO O=C(NCC1CC[NH+](CCO)CC1)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000012001566 556385960 /nfs/dbraw/zinc/38/59/60/556385960.db2.gz MKVGRAZQNINDIG-UHFFFAOYSA-N 1 0 429.561 1.901 50 0 IDAARO CCN1C(=O)N(CC(N)=O)C(=O)C12CC[NH+](C[C@H](C)Cc1ccc3c(c1)OCO3)CC2 ZINC000014742355 556439295 /nfs/dbraw/zinc/43/92/95/556439295.db2.gz IKMXZNUOPGEPEG-OAHLLOKOSA-N 1 0 430.505 1.198 50 0 IDAARO [NH3+]CCCC[C@@H]1NC(=O)[C@H]2CN(Cc3cnn(-c4cccc(Cl)c4)c3)CCN2C1=O ZINC000014744211 556439967 /nfs/dbraw/zinc/43/99/67/556439967.db2.gz QDHSCEINYMDVIA-RBUKOAKNSA-N 1 0 430.940 1.166 50 0 IDAARO Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)CC2)cc1 ZINC000032863563 556448525 /nfs/dbraw/zinc/44/85/25/556448525.db2.gz VIHIZAKASZRAPS-IBGZPJMESA-N 1 0 438.594 1.368 50 0 IDAARO COc1ccc(C[N@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1OC ZINC000014880514 556453551 /nfs/dbraw/zinc/45/35/51/556453551.db2.gz WKNJKKABQQEAKZ-IBGZPJMESA-N 1 0 437.566 1.600 50 0 IDAARO COc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)c(C)c1C ZINC000014887235 556455799 /nfs/dbraw/zinc/45/57/99/556455799.db2.gz PCTQTDHAQNRWED-HXUWFJFHSA-N 1 0 427.549 1.800 50 0 IDAARO C[C@@H]1CN(Cc2nnnn2CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000014947971 556459950 /nfs/dbraw/zinc/45/99/50/556459950.db2.gz DMCAMMFQDUXSSG-HDICACEKSA-N 1 0 427.553 1.063 50 0 IDAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1ccccc1 ZINC000013108967 556462651 /nfs/dbraw/zinc/46/26/51/556462651.db2.gz FIHWAATUBATQRO-HXUWFJFHSA-N 1 0 431.558 1.610 50 0 IDAARO COc1ccc([C@H](CNC(=O)Cn2nc(C(N)=O)c3ccccc3c2=O)[NH+]2CCCC2)cc1 ZINC000013115927 556468592 /nfs/dbraw/zinc/46/85/92/556468592.db2.gz DGNSLTXMWAVFCK-FQEVSTJZSA-N 1 0 449.511 1.457 50 0 IDAARO COc1cc(=O)n2c(c1C(=O)N1CCC[C@H](O)C1)CC[N@@H+](Cc1ccccc1C)CC2 ZINC000014993007 556476217 /nfs/dbraw/zinc/47/62/17/556476217.db2.gz MNXQDRBPRPFUMS-IBGZPJMESA-N 1 0 425.529 1.821 50 0 IDAARO COc1cc(=O)n2c(c1C(=O)N1CCC[C@H](O)C1)CC[N@@H+](Cc1ccc(C)s1)CC2 ZINC000015002641 556480463 /nfs/dbraw/zinc/48/04/63/556480463.db2.gz SLUTXHFUQSOJTD-INIZCTEOSA-N 1 0 431.558 1.882 50 0 IDAARO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000013164837 556497320 /nfs/dbraw/zinc/49/73/20/556497320.db2.gz CILFDNYXBGUAEY-FQEVSTJZSA-N 1 0 434.537 1.834 50 0 IDAARO Cc1nonc1CC(=O)N1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000015073537 556497802 /nfs/dbraw/zinc/49/78/02/556497802.db2.gz CWGFDDHVMHMSML-UHFFFAOYSA-N 1 0 426.521 1.335 50 0 IDAARO Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)c12 ZINC000072295447 556520040 /nfs/dbraw/zinc/52/00/40/556520040.db2.gz LAFPHONCLILUOU-UHFFFAOYSA-N 1 0 426.525 1.527 50 0 IDAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCNC(=O)Cn1cnc2ccccc2c1=O ZINC000004562801 556520771 /nfs/dbraw/zinc/52/07/71/556520771.db2.gz LZRLIIBWAXOFMS-SFHVURJKSA-N 1 0 427.549 1.674 50 0 IDAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCNC(=O)Cn2cnc3ccccc3c2=O)C1 ZINC000004562802 556521043 /nfs/dbraw/zinc/52/10/43/556521043.db2.gz FMXHWFGARBDNKJ-HDICACEKSA-N 1 0 427.549 1.387 50 0 IDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl ZINC000013572639 556523212 /nfs/dbraw/zinc/52/32/12/556523212.db2.gz PBHPEXDLKNNCAD-PRHHBONVSA-N 1 0 439.899 1.950 50 0 IDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2c1ccc(C)c2C ZINC000013573241 556523743 /nfs/dbraw/zinc/52/37/43/556523743.db2.gz GCIOUAJSSPCYOF-MVOHMCPASA-N 1 0 449.507 1.619 50 0 IDAARO C[C@H]1C[NH+](CCCNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)C[C@H](C)O1 ZINC000032899247 556530240 /nfs/dbraw/zinc/53/02/40/556530240.db2.gz IVDMUIJNAONTRO-IRXDYDNUSA-N 1 0 435.546 1.987 50 0 IDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2ccc(F)cc21 ZINC000016022126 556575411 /nfs/dbraw/zinc/57/54/11/556575411.db2.gz PYQOJUKCUHSMAI-YWNPBTLJSA-N 1 0 439.443 1.141 50 0 IDAARO O=C(Cn1cncn1)NCC(=O)O[C@@H]1CCC[C@H]1[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000072310687 556576340 /nfs/dbraw/zinc/57/63/40/556576340.db2.gz ZHZRNUNIEDEWQB-RTBURBONSA-N 1 0 446.939 1.334 50 0 IDAARO O=C(Cn1cncn1)NCC(=O)O[C@H]1CCC[C@H]1[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000072310685 556576492 /nfs/dbraw/zinc/57/64/92/556576492.db2.gz ZHZRNUNIEDEWQB-MOPGFXCFSA-N 1 0 446.939 1.334 50 0 IDAARO C[NH+](C)CCn1c2cc(NC(=O)c3cccc(N4CCCS4(=O)=O)c3)ccc2oc1=O ZINC000062581008 556685184 /nfs/dbraw/zinc/68/51/84/556685184.db2.gz ZTXUJFHVCOXFKC-UHFFFAOYSA-N 1 0 444.513 1.948 50 0 IDAARO CC[NH+](CC)CCN(CCS(=O)(=O)N1CCNCC1)C(=O)c1ccc(Cl)cc1 ZINC000046140823 556691888 /nfs/dbraw/zinc/69/18/88/556691888.db2.gz WTIAMTWUTLFLMJ-UHFFFAOYSA-N 1 0 431.002 1.359 50 0 IDAARO Cc1cccc(C(=O)N(CC[N@H+]2CCCC[C@@H]2C)CCS(=O)(=O)N2CCNCC2)c1 ZINC000046141054 556692015 /nfs/dbraw/zinc/69/20/15/556692015.db2.gz CYFQYDXXAWNPBY-FQEVSTJZSA-N 1 0 436.622 1.547 50 0 IDAARO Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC(C(=O)NCC[NH+](C)C)CC3)s2)cc1 ZINC000033024501 556695522 /nfs/dbraw/zinc/69/55/22/556695522.db2.gz KALFBVYYBGVUFV-UHFFFAOYSA-N 1 0 444.561 1.629 50 0 IDAARO O=C(NC[C@H]1CCCO1)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccccc2)c1 ZINC000033033673 556714491 /nfs/dbraw/zinc/71/44/91/556714491.db2.gz YGJPTTMLVAPLOJ-GOSISDBHSA-N 1 0 444.557 1.806 50 0 IDAARO CCc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCOC)ccc2N2CC[NH2+]CC2)cc1 ZINC000033034102 556715785 /nfs/dbraw/zinc/71/57/85/556715785.db2.gz IBYRIPXDSKFQFH-UHFFFAOYSA-N 1 0 446.573 1.836 50 0 IDAARO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](CC(N)=O)[NH2+][C@@]23c2cccc(C)c2NC3=O)c1 ZINC000062001267 556764101 /nfs/dbraw/zinc/76/41/01/556764101.db2.gz BPCRMQYWRUOQLN-SVLHDBBDSA-N 1 0 438.484 1.652 50 0 biogenic IDAARO C[NH+](C)CCn1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cn1 ZINC000058167445 556767022 /nfs/dbraw/zinc/76/70/22/556767022.db2.gz FHDSLCQNTFRGIJ-UHFFFAOYSA-N 1 0 445.589 1.973 50 0 IDAARO CC[NH+]1CCN(CCCNC(=O)CCc2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000033061691 556817289 /nfs/dbraw/zinc/81/72/89/556817289.db2.gz WVLBGUFTBFDULZ-UHFFFAOYSA-N 1 0 430.578 1.867 50 0 IDAARO CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)cc1 ZINC000065361903 556834091 /nfs/dbraw/zinc/83/40/91/556834091.db2.gz DLICNVMRFFWOEA-UHFFFAOYSA-N 1 0 444.561 1.855 50 0 IDAARO Cc1cc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000065364523 556835647 /nfs/dbraw/zinc/83/56/47/556835647.db2.gz DHQHAVOPDMCJIC-UHFFFAOYSA-N 1 0 437.953 1.786 50 0 IDAARO O=C([O-])[C@@H](CC(=O)Nc1ccc2c(c1)OCO2)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000072405682 556841791 /nfs/dbraw/zinc/84/17/91/556841791.db2.gz WEDGTKNWWBGNHE-KRWDZBQOSA-N 1 0 432.521 1.158 50 0 IDAARO COc1ccccc1N(CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)S(C)(=O)=O ZINC000067621894 556844809 /nfs/dbraw/zinc/84/48/09/556844809.db2.gz OFWAFVAXAHNKPD-UHFFFAOYSA-N 1 0 432.546 1.852 50 0 IDAARO Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2cc(N3CCOCC3)nc(C)[nH+]2)CC1 ZINC000067629848 556845093 /nfs/dbraw/zinc/84/50/93/556845093.db2.gz XZDOYSJAKOATNM-UHFFFAOYSA-N 1 0 435.525 1.580 50 0 IDAARO O=C(CCCn1cncn1)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000019771151 556913122 /nfs/dbraw/zinc/91/31/22/556913122.db2.gz JKGPBUYUFORXRI-HXUWFJFHSA-N 1 0 440.548 1.596 50 0 IDAARO O=C(CCc1cn[nH]c1)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000019787224 556914162 /nfs/dbraw/zinc/91/41/62/556914162.db2.gz YMJDFDMQLBPKAU-FQEVSTJZSA-N 1 0 425.533 1.880 50 0 IDAARO CS[C@H]1CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@@H]1[NH+]1CCCC1 ZINC000097163898 556994181 /nfs/dbraw/zinc/99/41/81/556994181.db2.gz XTJIQSKEPABWEI-ROUUACIJSA-N 1 0 437.587 1.514 50 0 IDAARO COC(=O)c1cc(C2CC2)nc2c1c(=O)n(CC[NH+](C)C)c(=O)n2-c1ccccc1OC ZINC000020215559 556999215 /nfs/dbraw/zinc/99/92/15/556999215.db2.gz FPQWRXIGYZFJHP-UHFFFAOYSA-N 1 0 438.484 1.782 50 0 IDAARO COCCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)OC)cc2)CN1Cc1ccccc1 ZINC000023158812 557033046 /nfs/dbraw/zinc/03/30/46/557033046.db2.gz ZUBFYNLYQOKBOS-YADHBBJMSA-N 1 0 425.529 1.969 50 0 IDAARO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCN(CCOc3ccc(Cl)cc3)CC1)C2=O ZINC000022929958 557049654 /nfs/dbraw/zinc/04/96/54/557049654.db2.gz PIABYZPRYLASHI-UHFFFAOYSA-N 1 0 435.956 1.310 50 0 IDAARO CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccnc2)c1 ZINC000048309238 557059618 /nfs/dbraw/zinc/05/96/18/557059618.db2.gz QMKIBPBUQPHUIC-UHFFFAOYSA-N 1 0 426.564 1.084 50 0 IDAARO C[C@H](Sc1nnc(SCC(N)=O)s1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000048302493 557063723 /nfs/dbraw/zinc/06/37/23/557063723.db2.gz KULHQTZOBFRAEZ-GXTWGEPZSA-N 1 0 437.616 1.987 50 0 IDAARO COC(=O)C[C@]12C(=O)NCC[N@H+]1[C@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 ZINC000095115747 557156455 /nfs/dbraw/zinc/15/64/55/557156455.db2.gz KSQBJQBUSNNORM-HULNYRCFSA-N 1 0 447.491 1.589 50 0 IDAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)N(C)C(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000096210252 557182919 /nfs/dbraw/zinc/18/29/19/557182919.db2.gz ADSAOUQVCRQSCV-HXUWFJFHSA-N 1 0 432.521 1.465 50 0 IDAARO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000025383991 557206710 /nfs/dbraw/zinc/20/67/10/557206710.db2.gz PDLLGSQPXXSLRA-GOSISDBHSA-N 1 0 445.589 1.862 50 0 IDAARO CCOc1ccc(N2C(=O)C[C@@H](N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)C2=O)cc1 ZINC000100093342 557240467 /nfs/dbraw/zinc/24/04/67/557240467.db2.gz VAOSPNPJPPOLCR-LJQANCHMSA-N 1 0 428.533 1.523 50 0 IDAARO O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000221831537 557325493 /nfs/dbraw/zinc/32/54/93/557325493.db2.gz ZAZXVYKGJOKJDT-JAXLGGSGSA-N 1 0 446.617 1.985 50 0 IDAARO CCc1ccc(S(=O)(=O)N2CCN(c3nc(N4CCN(C)CC4)cc(C)[nH+]3)CC2)cc1 ZINC000024023292 557391482 /nfs/dbraw/zinc/39/14/82/557391482.db2.gz FGLYZJUTNJOLTL-UHFFFAOYSA-N 1 0 444.605 1.610 50 0 IDAARO CN1C2=C(C(=O)N(C(C)(C)C(=O)NCC[NH+](C)C)C2)[C@H](c2ccc(Cl)cc2)NC1=O ZINC000096291286 557451392 /nfs/dbraw/zinc/45/13/92/557451392.db2.gz VABZKQHBHPQCCS-KRWDZBQOSA-N 1 0 433.940 1.589 50 0 IDAARO CSCC[C@@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]21 ZINC000104172435 557452108 /nfs/dbraw/zinc/45/21/08/557452108.db2.gz RHYOENXZKCWYKI-JTWVCOEZSA-N 1 0 449.960 1.993 50 0 IDAARO CCOc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@@H]2CCCO2)cc1 ZINC000045944383 557553217 /nfs/dbraw/zinc/55/32/17/557553217.db2.gz RWUBWTUXNCQEKU-SFHVURJKSA-N 1 0 425.551 1.077 50 0 IDAARO COCCCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000045944814 557553450 /nfs/dbraw/zinc/55/34/50/557553450.db2.gz XYWYCPCKIKZGPT-UHFFFAOYSA-N 1 0 433.958 1.198 50 0 IDAARO COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CC[NH2+]CC2)cc1OC ZINC000045974343 557556376 /nfs/dbraw/zinc/55/63/76/557556376.db2.gz GPIKDJOZAXSHQL-UHFFFAOYSA-N 1 0 447.557 1.369 50 0 IDAARO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)C2CCCCC2)cc1OC ZINC000045974559 557556677 /nfs/dbraw/zinc/55/66/77/557556677.db2.gz XNNQTDXQRNKUNR-UHFFFAOYSA-N 1 0 425.551 1.459 50 0 IDAARO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@H+](CCNC(C)=O)C1CCSCC1 ZINC000225788073 557778094 /nfs/dbraw/zinc/77/80/94/557778094.db2.gz WYZLNVMWESHEQB-FQEVSTJZSA-N 1 0 433.574 1.447 50 0 IDAARO CCOC(=O)N1CCN(C(=O)C[NH2+][C@@H]2[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC000239667190 557844998 /nfs/dbraw/zinc/84/49/98/557844998.db2.gz BPGQECNLLJJHQE-XYJFISCASA-N 1 0 426.558 1.911 50 0 IDAARO O=S(=O)(c1ccc(OC[C@@H](O)C[NH2+]Cc2ccco2)c(Cl)c1)N1CCOCC1 ZINC000003293460 562933812 /nfs/dbraw/zinc/93/38/12/562933812.db2.gz WGZVLJQLIGVFHQ-AWEZNQCLSA-N 1 0 430.910 1.483 50 0 IDAARO CC[NH+](CC)CCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2SC1(C)C ZINC000004217251 562942749 /nfs/dbraw/zinc/94/27/49/562942749.db2.gz AFKRZUUZFWTBCC-WSTZPKSXSA-N 1 0 433.574 1.661 50 0 in-man IDAARO CN(C)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCCC[NH+]1CCCCCC1)cn2C ZINC000006577211 562947465 /nfs/dbraw/zinc/94/74/65/562947465.db2.gz JKSPWZKIDUEJIE-UHFFFAOYSA-N 1 0 448.589 1.785 50 0 IDAARO Cc1oc(-c2ccccc2C)nc1CS(=O)(=O)CC(=O)NCCCN1CC[NH+](C)CC1 ZINC000020242080 563024275 /nfs/dbraw/zinc/02/42/75/563024275.db2.gz BQLHUUJOZIFGQW-UHFFFAOYSA-N 1 0 448.589 1.627 50 0 IDAARO Cc1ccc(C)n1-c1nnc(N2CCC(C(=O)NCCCN3CC[NH+](C)CC3)CC2)s1 ZINC000020414945 563024667 /nfs/dbraw/zinc/02/46/67/563024667.db2.gz VLZAMFFYGHEALX-UHFFFAOYSA-N 1 0 445.637 1.916 50 0 IDAARO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@H](c2ccccc2)C3)CC1 ZINC000263617553 568777224 /nfs/dbraw/zinc/77/72/24/568777224.db2.gz OIWYLSAYKHOENC-FQEVSTJZSA-N 1 0 425.533 1.685 50 0 IDAARO Cc1cc2n(n1)CCC(=O)N2[C@@H](C)C(=O)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000015728610 568813047 /nfs/dbraw/zinc/81/30/47/568813047.db2.gz HELLOQBFJPMCJJ-SFHVURJKSA-N 1 0 442.539 1.784 50 0 IDAARO CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)NCC[NH+]1CCCC1)N2C(C)=O ZINC000015776013 568823636 /nfs/dbraw/zinc/82/36/36/568823636.db2.gz IXIBOVWJHPPIER-HXUWFJFHSA-N 1 0 436.578 1.207 50 0 IDAARO CN(CC(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1nnc(N2CCCC2=O)s1 ZINC000015777284 568823857 /nfs/dbraw/zinc/82/38/57/568823857.db2.gz RJSOLBDKHWHJNO-UHFFFAOYSA-N 1 0 428.562 1.666 50 0 IDAARO CN(C)S(=O)(=O)c1ccc2c(c1)nnn2CCCC(=O)NCCC[NH+]1CCCCC1 ZINC000085648432 568830550 /nfs/dbraw/zinc/83/05/50/568830550.db2.gz LMORVNZHMNVFHL-UHFFFAOYSA-N 1 0 436.582 1.454 50 0 IDAARO CCOc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2cccc(OC)c2)cc1 ZINC000015864239 568849694 /nfs/dbraw/zinc/84/96/94/568849694.db2.gz NYDSDHHJZCOMPB-UHFFFAOYSA-N 1 0 447.557 1.717 50 0 IDAARO COC(=O)Cn1c2ccc(S(=O)(=O)NCC[N@H+](C)C3CCCCC3)cc2oc1=O ZINC000035478293 568882533 /nfs/dbraw/zinc/88/25/33/568882533.db2.gz ROULIJSKKXDKDT-UHFFFAOYSA-N 1 0 425.507 1.310 50 0 IDAARO CC(C)S(=O)(=O)N1CCN(Cc2oc(C[NH+]3CCCCCC3)cc(=O)c2O)CC1 ZINC000253412846 568903346 /nfs/dbraw/zinc/90/33/46/568903346.db2.gz SFSSOYIBWMJVSS-UHFFFAOYSA-N 1 0 427.567 1.577 50 0 IDAARO C[NH+](C)CCNC(=O)c1nn(-c2ccccc2F)c(=O)n(Cc2ccccc2F)c1=O ZINC000036085171 568947756 /nfs/dbraw/zinc/94/77/56/568947756.db2.gz YUZUZHNBFKVMCD-UHFFFAOYSA-N 1 0 429.427 1.012 50 0 IDAARO Cc1cccc(Cn2c(=O)c(C(=O)NCC[NH+](C)C)nn(-c3cccc(Cl)c3)c2=O)c1 ZINC000036087465 568948877 /nfs/dbraw/zinc/94/88/77/568948877.db2.gz DLWXCGJARVMVEV-UHFFFAOYSA-N 1 0 441.919 1.696 50 0 IDAARO Cc1cccc(Cn2c(=O)c(C(=O)NCC[NH+](C)C)nn(-c3cc(C)cc(C)c3)c2=O)c1 ZINC000036094026 568950865 /nfs/dbraw/zinc/95/08/65/568950865.db2.gz CYOONGXAUGWOCG-UHFFFAOYSA-N 1 0 435.528 1.659 50 0 IDAARO CCC[NH+]1CCN(CCCNC(=O)[C@@H](C)n2c3ccccc3c3cnn(C)c(=O)c32)CC1 ZINC000064776052 568955122 /nfs/dbraw/zinc/95/51/22/568955122.db2.gz UTVIJSZMSZFBTR-GOSISDBHSA-N 1 0 438.576 1.983 50 0 IDAARO CC[NH+](CC)CCCNC(=O)CCC(=O)N1CCN(c2nc3cccnc3s2)CC1 ZINC000064955425 568998511 /nfs/dbraw/zinc/99/85/11/568998511.db2.gz AZXCYXSQZOGGHJ-UHFFFAOYSA-N 1 0 432.594 1.968 50 0 IDAARO CC[N@H+](CCNC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)n(C)c1=O)Cc1ccccc1 ZINC000064966894 569001477 /nfs/dbraw/zinc/00/14/77/569001477.db2.gz DTFKKBPHIJCKLK-UHFFFAOYSA-N 1 0 441.919 1.837 50 0 IDAARO C[NH+](C)CCNC(=O)CN1c2cc(C(=O)N3CCCC3)ccc2N2CCCC[C@@H]2C1=O ZINC000064966736 569001490 /nfs/dbraw/zinc/00/14/90/569001490.db2.gz JAZGIYPKCKXXQD-LJQANCHMSA-N 1 0 427.549 1.306 50 0 IDAARO CC[C@H](C)NC(=O)c1cc(NS(=O)(=O)c2ccc(OC)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025125 569090450 /nfs/dbraw/zinc/09/04/50/569090450.db2.gz MSCHHOGALYNHPI-HNNXBMFYSA-N 1 0 447.561 1.829 50 0 IDAARO CCNC(=O)c1cc(NS(=O)(=O)c2cc(C)c(C)cc2C)cnc1N1CC[NH2+]CC1 ZINC000065025288 569090655 /nfs/dbraw/zinc/09/06/55/569090655.db2.gz AOYSZQRKCWQOCB-UHFFFAOYSA-N 1 0 431.562 1.967 50 0 IDAARO C[NH+]1CCN(CCNC(=O)CC2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000065062043 569096942 /nfs/dbraw/zinc/09/69/42/569096942.db2.gz MDRWHMMCCONRJZ-UHFFFAOYSA-N 1 0 449.042 1.556 50 0 IDAARO CCn1c2ccc(S(=O)(=O)N3CCC(CC(=O)NCC[NH+](C)C)CC3)cc2oc1=O ZINC000065085918 569103244 /nfs/dbraw/zinc/10/32/44/569103244.db2.gz LJUOYUVSITXQCA-UHFFFAOYSA-N 1 0 438.550 1.083 50 0 IDAARO O=C(CC1(Cn2cnnn2)CCCCC1)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC000524734008 569128028 /nfs/dbraw/zinc/12/80/28/569128028.db2.gz MXAVOIAHJZUKHR-UHFFFAOYSA-N 1 0 427.553 1.767 50 0 IDAARO Cn1c2c(C(=O)NCc3ccccn3)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2 ZINC000065301748 569132832 /nfs/dbraw/zinc/13/28/32/569132832.db2.gz RFLFARFELHIWCE-UHFFFAOYSA-N 1 0 428.496 1.916 50 0 IDAARO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NC[C@@H]([C@@H]1CCOC1)[NH+]1CCCC1 ZINC000065512472 569139064 /nfs/dbraw/zinc/13/90/64/569139064.db2.gz WOFYIPXBAQBZOD-QAPCUYQASA-N 1 0 440.566 1.568 50 0 IDAARO Cc1cc(=O)c(C(=O)N2CCN(CC[N@@H+]3CCCOCC3)CC2)nn1-c1ccccc1 ZINC000170599039 569142467 /nfs/dbraw/zinc/14/24/67/569142467.db2.gz TZHXFLOIKIOVPT-UHFFFAOYSA-N 1 0 425.533 1.021 50 0 IDAARO COc1ccc(C(=O)N2CCN(c3nc(N4CCOCC4)cc(C)[nH+]3)CC2)c(OC)c1 ZINC000017012392 569170705 /nfs/dbraw/zinc/17/07/05/569170705.db2.gz QEQMZOBOMBHGSH-UHFFFAOYSA-N 1 0 427.505 1.601 50 0 IDAARO Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)c3ccc(Br)o3)CC2)[nH+]1 ZINC000017012400 569170717 /nfs/dbraw/zinc/17/07/17/569170717.db2.gz BTYFUJPLCOCFSK-UHFFFAOYSA-N 1 0 449.353 1.855 50 0 IDAARO CC(C)(C)OC[C@H](O)C[NH+]1CCN(CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000252508978 569188444 /nfs/dbraw/zinc/18/84/44/569188444.db2.gz XZWHFCMDRYDKMC-QGZVFWFLSA-N 1 0 434.002 1.412 50 0 IDAARO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 ZINC000252537291 569190045 /nfs/dbraw/zinc/19/00/45/569190045.db2.gz KXFNFUIJFZRSNT-JYJNAYRXSA-N 1 0 425.327 1.226 50 0 IDAARO CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)c1cc(C)ccc1N(CC[NH+]1CCCCC1)C2=O ZINC000002196530 569191305 /nfs/dbraw/zinc/19/13/05/569191305.db2.gz JUYHHLVKNBGYFL-OAQYLSRUSA-N 1 0 429.546 1.983 50 0 IDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCCC(C)C)N(C)C2=O ZINC000037409821 569195320 /nfs/dbraw/zinc/19/53/20/569195320.db2.gz JZVHDEAURCVOLW-AOMKIAJQSA-N 1 0 432.569 1.104 50 0 IDAARO CCc1cc(C(=O)N(C)CCN(CC[NH+]2CCCCC2)C(=O)c2cc(CC)n[nH]2)[nH]n1 ZINC000328591919 569317041 /nfs/dbraw/zinc/31/70/41/569317041.db2.gz BIXSOKCFPIMRTJ-UHFFFAOYSA-N 1 0 429.569 1.958 50 0 IDAARO COc1ccc([C@@H](C[NH2+]Cc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)N2CCOCC2)cc1 ZINC000079108830 569326003 /nfs/dbraw/zinc/32/60/03/569326003.db2.gz NHNCQFRNEKBKHD-FGZHOGPDSA-N 1 0 448.589 1.589 50 0 IDAARO COc1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)N2CC[NH+](C)CC2)cc1 ZINC000019819990 569330020 /nfs/dbraw/zinc/33/00/20/569330020.db2.gz ZCWKUDSWFLMWOZ-FQEVSTJZSA-N 1 0 447.557 1.733 50 0 IDAARO CC[NH+]1CCN(CCNC(=O)Cn2c3cccnc3n(-c3ccc(F)cc3)c2=O)CC1 ZINC000096385830 569398336 /nfs/dbraw/zinc/39/83/36/569398336.db2.gz UXPHXTGTVPTMCC-UHFFFAOYSA-N 1 0 426.496 1.080 50 0 IDAARO CC[NH+]1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccc(OC)c(OC)c2OC)CC(=O)N3)CC1 ZINC000670416064 569402911 /nfs/dbraw/zinc/40/29/11/569402911.db2.gz DPVFPTTWUHEBFH-CQSZACIVSA-N 1 0 443.504 1.824 50 0 IDAARO COc1ccc([C@@H]2CC(=O)Nc3nc(N4CC[NH+](C)CC4)[nH]c(=O)c32)c(OC)c1OC ZINC000670416125 569403142 /nfs/dbraw/zinc/40/31/42/569403142.db2.gz OGKNMGDZVLYJOO-ZDUSSCGKSA-N 1 0 429.477 1.434 50 0 IDAARO CC[NH+](CC)CCNC(=O)CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O ZINC000002601900 569410118 /nfs/dbraw/zinc/41/01/18/569410118.db2.gz PTNZTMJQKLMEQP-UHFFFAOYSA-N 1 0 425.327 1.691 50 0 IDAARO CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000029090504 569426657 /nfs/dbraw/zinc/42/66/57/569426657.db2.gz VWEWLIYDNBLGKA-FQEVSTJZSA-N 1 0 437.562 1.504 50 0 IDAARO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)cc2)C1 ZINC000230152268 569439550 /nfs/dbraw/zinc/43/95/50/569439550.db2.gz ATCQGZNHCZIYLC-IMFGXOCKSA-N 1 0 433.574 1.893 50 0 IDAARO CN1CC[N@H+](CCCNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)[C@H](c2ccccc2)C1 ZINC000230154510 569439658 /nfs/dbraw/zinc/43/96/58/569439658.db2.gz PJSFWMUDPZRYJK-ROUUACIJSA-N 1 0 426.483 1.892 50 0 IDAARO CN(C)C(=O)N1CCC(C(=O)N[C@@H]2C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)CC1 ZINC000670456217 569458443 /nfs/dbraw/zinc/45/84/43/569458443.db2.gz VIWIZIJZUAHLBT-KWLQHXCVSA-N 1 0 425.577 1.064 50 0 IDAARO CS(=O)(=O)c1cccc(C(=O)N[C@H]2C3CN4CC2(c2ccccc2)CN(C3)CC4)c1 ZINC000670462313 569461127 /nfs/dbraw/zinc/46/11/27/569461127.db2.gz ALQCKOKNEYQSGZ-STDCAVTESA-N 1 0 425.554 1.388 50 0 IDAARO CC[NH+](CC)CCCNC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 ZINC000004272263 569461725 /nfs/dbraw/zinc/46/17/25/569461725.db2.gz YNTILLAZQXBYEB-UHFFFAOYSA-N 1 0 428.533 1.531 50 0 IDAARO CCCCC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2F)CC1 ZINC000004316516 569462025 /nfs/dbraw/zinc/46/20/25/569462025.db2.gz UFRQGNQMNKVMHD-UHFFFAOYSA-N 1 0 428.512 1.923 50 0 IDAARO NS(=O)(=O)c1ccc(NC(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cc1 ZINC000040156521 569494157 /nfs/dbraw/zinc/49/41/57/569494157.db2.gz GGHZKSYNDMMNFR-UHFFFAOYSA-N 1 0 437.566 1.180 50 0 IDAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000009593184 569550389 /nfs/dbraw/zinc/55/03/89/569550389.db2.gz HSMWQNLAKNLPRO-FQEVSTJZSA-N 1 0 429.542 1.712 50 0 IDAARO CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCC[NH+](CC)CC)cn2C ZINC000009724241 569563643 /nfs/dbraw/zinc/56/36/43/569563643.db2.gz POIWPSNFABCMMY-UHFFFAOYSA-N 1 0 436.578 1.641 50 0 IDAARO Cn1nnnc1SCC(=O)Nc1cc(N2CC[NH+](Cc3ccccc3)CC2)ncn1 ZINC000077200567 569586407 /nfs/dbraw/zinc/58/64/07/569586407.db2.gz ZDKOSTYDRYSAFK-UHFFFAOYSA-N 1 0 425.522 1.053 50 0 IDAARO C[NH+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2 ZINC000009739444 132240434 /nfs/dbraw/zinc/24/04/34/132240434.db2.gz VNCAPHFFVQHRRL-UHFFFAOYSA-N 1 0 436.559 1.506 50 0 IDAARO C[NH+](C)CCNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1 ZINC000009828907 132241347 /nfs/dbraw/zinc/24/13/47/132241347.db2.gz FMCJYDIVLMVSMK-IBGZPJMESA-N 1 0 431.512 1.076 50 0 IDAARO Cc1cccc(N2C[C@H](O)Cn3c4c(nc32)n(C)c(=O)n(CC[NH+]2CCCCC2)c4=O)c1 ZINC000010103085 132242867 /nfs/dbraw/zinc/24/28/67/132242867.db2.gz JJAQVLSALUYPHJ-SFHVURJKSA-N 1 0 438.532 1.204 50 0 IDAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ncccn3)CC2)=[NH+][C@@H]1c1ccc(OC)cc1 ZINC000009183795 132307535 /nfs/dbraw/zinc/30/75/35/132307535.db2.gz GYCCIRBUWKNYKX-QZTJIDSGSA-N 1 0 438.488 1.014 50 0 IDAARO CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000021022262 519639055 /nfs/dbraw/zinc/63/90/55/519639055.db2.gz CDLGOYCLXIPIBJ-OAQYLSRUSA-N 1 0 448.589 1.351 50 0 IDAARO CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)c1 ZINC000022796432 519741331 /nfs/dbraw/zinc/74/13/31/519741331.db2.gz AMLFMDNHJAKIQT-NRFANRHFSA-N 1 0 441.507 1.828 50 0 IDAARO CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@]2(C)[C@H]1[C@H](C)C[C@@H]1OC(=O)[C@@H](C[NH+]3CCCC3)[C@H]1[C@@H]2O ZINC000012656908 519758104 /nfs/dbraw/zinc/75/81/04/519758104.db2.gz CXVDWNNRIYXLKR-JNUAGQPNSA-N 1 0 437.533 1.530 50 0 biogenic IDAARO CCOC(=O)C1CCN(C(=O)c2cc(NC(=O)C(C)C)cnc2N2CC[NH2+]CC2)CC1 ZINC000035514111 520569503 /nfs/dbraw/zinc/56/95/03/520569503.db2.gz QKRNQDZISVYCOI-UHFFFAOYSA-N 1 0 431.537 1.501 50 0 IDAARO CC[NH+](CC)CCCNC(=O)CN1c2cc(C(=O)N(C)C)ccc2N2CCCC[C@@H]2C1=O ZINC000021942004 520612522 /nfs/dbraw/zinc/61/25/22/520612522.db2.gz TWRZZTWOIPRMDH-HXUWFJFHSA-N 1 0 443.592 1.942 50 0 IDAARO CC[NH+](CC)CCN(C(=O)CN1C(=O)CCC1=O)c1nc2cc3c(cc2s1)OCCO3 ZINC000012140887 520639730 /nfs/dbraw/zinc/63/97/30/520639730.db2.gz LEHVIPBOZQRAGS-UHFFFAOYSA-N 1 0 446.529 1.891 50 0 IDAARO CC1CC[NH+]([C@H](CNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c2cccs2)CC1 ZINC000012774906 521036788 /nfs/dbraw/zinc/03/67/88/521036788.db2.gz BJQFMUGZIJEWAW-QGZVFWFLSA-N 1 0 441.557 1.897 50 0 IDAARO CCCc1cc(=O)n2nc(N3CCC(C(=O)NCC[NH+]4CCCCC4)CC3)sc2n1 ZINC000021166200 521345698 /nfs/dbraw/zinc/34/56/98/521345698.db2.gz IGINMUJOHWFLOF-UHFFFAOYSA-N 1 0 432.594 1.922 50 0 IDAARO CCCc1cc(=O)n2nc(N3CCC(C(=O)NC[C@@H]4CCC[N@@H+]4CC)CC3)sc2n1 ZINC000021165926 521346172 /nfs/dbraw/zinc/34/61/72/521346172.db2.gz VQYLEZBLMLXKID-KRWDZBQOSA-N 1 0 432.594 1.920 50 0 IDAARO CC[NH+]1CCN(CCNC(=O)c2c(N3CCCC3=O)c3cc(OC)ccc3n2C)CC1 ZINC000021529893 521682986 /nfs/dbraw/zinc/68/29/86/521682986.db2.gz SGFOCJZUGBIGNX-UHFFFAOYSA-N 1 0 427.549 1.681 50 0 IDAARO CC[NH+]1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)CC1 ZINC000020503988 521689637 /nfs/dbraw/zinc/68/96/37/521689637.db2.gz GMGPSUBDLCJSDP-UHFFFAOYSA-N 1 0 430.940 1.273 50 0 IDAARO CC[NH+]1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc32)CC1 ZINC000020504093 521689890 /nfs/dbraw/zinc/68/98/90/521689890.db2.gz IHOHBVUZFGXZDD-UHFFFAOYSA-N 1 0 446.555 1.773 50 0 IDAARO CC[NH+]1CCN(c2ccc(N3CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)nn2)CC1 ZINC000020555391 521697977 /nfs/dbraw/zinc/69/79/77/521697977.db2.gz DIZQVVFFNJSWQS-UHFFFAOYSA-N 1 0 446.577 1.138 50 0 IDAARO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCN(CC(=O)N4CCCC4)CC3)cc2)CC1 ZINC000022804212 521698313 /nfs/dbraw/zinc/69/83/13/521698313.db2.gz PRBQOJABGVVBDM-UHFFFAOYSA-N 1 0 442.608 1.007 50 0 IDAARO CC[C@@H](C(=O)NCCC[NH+]1CCCCC1)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000035403325 521839201 /nfs/dbraw/zinc/83/92/01/521839201.db2.gz QOOKMHZDORLISH-FQEVSTJZSA-N 1 0 432.540 1.767 50 0 IDAARO COCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(CC[NH+]1CCCCC1)c(=O)n2C ZINC000012232102 522052808 /nfs/dbraw/zinc/05/28/08/522052808.db2.gz ODZQTHBHWMYZMM-UHFFFAOYSA-N 1 0 443.552 1.140 50 0 IDAARO COC(=O)CCCC(=O)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020912589 522953000 /nfs/dbraw/zinc/95/30/00/522953000.db2.gz FHHJKXFNNBVMEG-LJQANCHMSA-N 1 0 431.533 1.867 50 0 IDAARO COCCC(=O)N[C@H](C)c1nnc2n1CC[N@@H+](Cc1ccc(OC)c(C)c1OC)CC2 ZINC000020780744 522956122 /nfs/dbraw/zinc/95/61/22/522956122.db2.gz MXMDVRTZFCHVTK-MRXNPFEDSA-N 1 0 431.537 1.876 50 0 IDAARO COc1ccc(-n2nc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(=O)n(C)c2=O)cc1 ZINC000035446290 523343334 /nfs/dbraw/zinc/34/33/34/523343334.db2.gz 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O=C(c1nc2ccccn2c1CN1CCC[C@H](C[NH+]2CCOCC2)C1)N1CCOCC1 ZINC000023338772 557085105 /nfs/dbraw/zinc/08/51/05/557085105.db2.gz WEEBPTLLJALJOS-LJQANCHMSA-N 1 0 427.549 1.351 50 0 IDAARO COc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)[nH+]3)CC2)cc1OC ZINC000033318637 557100012 /nfs/dbraw/zinc/10/00/12/557100012.db2.gz SGLMBTCMOHMUCC-UHFFFAOYSA-N 1 0 442.520 1.993 50 0 IDAARO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@H+](C)C3CCCCC3)CC2)c1 ZINC000023695293 557107258 /nfs/dbraw/zinc/10/72/58/557107258.db2.gz AAXXLBLCFPTRRC-UHFFFAOYSA-N 1 0 439.578 1.801 50 0 IDAARO CSCC[C@@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@H]21 ZINC000247538429 557151814 /nfs/dbraw/zinc/15/18/14/557151814.db2.gz RHYOENXZKCWYKI-IZQWYQFCSA-N 1 0 449.960 1.993 50 0 IDAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)N(CC)C(=O)N[C@H]1c1cccc(OC)c1OC ZINC000096210256 557182988 /nfs/dbraw/zinc/18/29/88/557182988.db2.gz QMMWLXNEEDBSMG-FQEVSTJZSA-N 1 0 446.548 1.855 50 0 IDAARO 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CCC[NH+]1CCN(CCCNC(=O)c2nnc(C(=O)Nc3ccc(OC)cc3)s2)CC1 ZINC000033060184 557323133 /nfs/dbraw/zinc/32/31/33/557323133.db2.gz FOMQPNCFBSHVOY-UHFFFAOYSA-N 1 0 446.577 1.947 50 0 IDAARO C[NH+]1CCN(CCNC(=O)c2cc(S(=O)(=O)N3CCSCC3)ccc2Cl)CC1 ZINC000033131496 557325536 /nfs/dbraw/zinc/32/55/36/557325536.db2.gz DMABUSZGINOWFR-UHFFFAOYSA-N 1 0 447.026 1.055 50 0 IDAARO COc1ccc(NC(=O)C[NH2+]Cc2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000014361384 557336659 /nfs/dbraw/zinc/33/66/59/557336659.db2.gz GOTAXQNEDDURGA-UHFFFAOYSA-N 1 0 437.493 1.584 50 0 IDAARO COCCOCC(=O)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccn3)CC1)CCO2 ZINC000575557619 557462989 /nfs/dbraw/zinc/46/29/89/557462989.db2.gz FDRMPBCNAXSALS-HXUWFJFHSA-N 1 0 432.565 1.407 50 0 IDAARO O=C(Cn1nc(N2CC[NH+](Cc3ccccc3)CC2)ccc1=O)NCCc1ccccc1 ZINC000044903537 557540460 /nfs/dbraw/zinc/54/04/60/557540460.db2.gz AJYJFQHZUZOXSY-UHFFFAOYSA-N 1 0 431.540 1.924 50 0 IDAARO CC(C)(C)OC(=O)CCOCCOCC[N@H+](CCO)CCOCCC(=O)OC(C)(C)C ZINC000203369751 557546012 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KATXCLKCBHPKOC-FQEVSTJZSA-N 1 0 426.492 1.689 50 0 IDAARO Cc1cc(N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)n(-c2ccccc2)n1 ZINC000036520254 563095740 /nfs/dbraw/zinc/09/57/40/563095740.db2.gz WGRQANOPCQRCME-PMACEKPBSA-N 1 0 426.590 1.566 50 0 investigational IDAARO COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000003357846 568746907 /nfs/dbraw/zinc/74/69/07/568746907.db2.gz XYZCBLJKAUQMTC-GOSISDBHSA-N 1 0 433.530 1.918 50 0 IDAARO COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000003357847 568746916 /nfs/dbraw/zinc/74/69/16/568746916.db2.gz XYZCBLJKAUQMTC-SFHVURJKSA-N 1 0 433.530 1.918 50 0 IDAARO O=C(NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1[nH]nc2ccccc21 ZINC000299756918 568755538 /nfs/dbraw/zinc/75/55/38/568755538.db2.gz DTMKJZHQIZSVNT-GOSISDBHSA-N 1 0 425.533 1.642 50 0 IDAARO COc1cc(=O)n2c(c1C(=O)N1CCN(C)CC1)CC[N@@H+](CCCc1ccccc1)CC2 ZINC000299756439 568755571 /nfs/dbraw/zinc/75/55/71/568755571.db2.gz IIJWIYFCRGSUKM-UHFFFAOYSA-N 1 0 438.572 1.735 50 0 IDAARO COc1ccc(S(=O)(=O)N(CCCc2ccccc2)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000045974643 568783843 /nfs/dbraw/zinc/78/38/43/568783843.db2.gz DKMLRODLTJMFTP-UHFFFAOYSA-N 1 0 431.558 1.751 50 0 IDAARO O=C(CNC1=NS(=O)(=O)c2ccccc21)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000084535943 568798586 /nfs/dbraw/zinc/79/85/86/568798586.db2.gz CDHOXNAHQNAYKQ-SFHVURJKSA-N 1 0 426.542 1.754 50 0 IDAARO Cc1cc2n(n1)CCC(=O)N2CC(=O)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000015728770 568813126 /nfs/dbraw/zinc/81/31/26/568813126.db2.gz VMJPWEUDSZXRDM-UHFFFAOYSA-N 1 0 428.512 1.396 50 0 IDAARO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000016199629 568872578 /nfs/dbraw/zinc/87/25/78/568872578.db2.gz XFSPHRLFSYMAJS-UHFFFAOYSA-N 1 0 446.573 1.440 50 0 IDAARO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cc2c3c(c1)CCCN3C(=O)C2)c1ccc2c(c1)CCO2 ZINC000090607303 568889869 /nfs/dbraw/zinc/88/98/69/568889869.db2.gz GHJQZHYCSQVFFB-HXUWFJFHSA-N 1 0 448.523 1.814 50 0 IDAARO 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CC[NH+]1CCN(CCCNC(=O)C2CCN(c3nc4ccccc4n(C)c3=O)CC2)CC1 ZINC000064873848 568978638 /nfs/dbraw/zinc/97/86/38/568978638.db2.gz NBUXEOWNFYWYGD-UHFFFAOYSA-N 1 0 440.592 1.294 50 0 IDAARO O=C(CCC(=O)N1CCN(c2nc3cccnc3s2)CC1)NCC[NH+]1CCCCC1 ZINC000064955497 568998541 /nfs/dbraw/zinc/99/85/41/568998541.db2.gz OQVKFOMRVHAOKK-UHFFFAOYSA-N 1 0 430.578 1.722 50 0 IDAARO CC[NH+]1CCN(CCNC(=O)c2cc3n(n2)CCCN(Cc2cccc(F)c2)C3=O)CC1 ZINC000064959705 569000073 /nfs/dbraw/zinc/00/00/73/569000073.db2.gz NNABRKBCQXUJAR-UHFFFAOYSA-N 1 0 442.539 1.436 50 0 IDAARO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)c3nn(-c4ccc(C)cc4)c(=O)n(C)c3=O)C2)cc1 ZINC000064966795 569001531 /nfs/dbraw/zinc/00/15/31/569001531.db2.gz MZXOLKPFAYISFH-HXUWFJFHSA-N 1 0 447.539 1.800 50 0 IDAARO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1nnc(-c2ccc(S(=O)(=O)N(C)C)cc2)o1 ZINC000065114011 569108504 /nfs/dbraw/zinc/10/85/04/569108504.db2.gz RWRLNIPGDSXICL-INIZCTEOSA-N 1 0 435.550 1.981 50 0 IDAARO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NC[C@H]([C@H]1CCOC1)[NH+]1CCCC1 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/nfs/dbraw/zinc/32/60/22/569326022.db2.gz NHNCQFRNEKBKHD-YADHBBJMSA-N 1 0 448.589 1.589 50 0 IDAARO Cc1c2cnn(CC(=O)NCCN3CC[NH+](C)CC3)c(=O)c2c(C)n1Cc1ccccc1 ZINC000020417102 569364809 /nfs/dbraw/zinc/36/48/09/569364809.db2.gz BNQWPQCQNCNHMT-UHFFFAOYSA-N 1 0 436.560 1.227 50 0 IDAARO CC[N@H+](CCC1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1)CC1CC1 ZINC000095457698 569369072 /nfs/dbraw/zinc/36/90/72/569369072.db2.gz BWKLGOIUCAECRP-UHFFFAOYSA-N 1 0 429.608 1.857 50 0 IDAARO CC[NH+]1CCN([C@H](C)CNC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C2CC2)CC1 ZINC000095993678 569378509 /nfs/dbraw/zinc/37/85/09/569378509.db2.gz DLADIQLVBAGXPU-OSPHWJPCSA-N 1 0 439.560 1.270 50 0 IDAARO CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cn[nH+]c(N4CCCC4)c3)CC2)cc1 ZINC000096121066 569385028 /nfs/dbraw/zinc/38/50/28/569385028.db2.gz MDDKIPKVUCPOMV-UHFFFAOYSA-N 1 0 430.534 1.546 50 0 IDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2n(n1)C[C@](C)(C(=O)NCCC(C)C)N(C)C2=O ZINC000021530967 569388021 /nfs/dbraw/zinc/38/80/21/569388021.db2.gz 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C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000245276309 569501879 /nfs/dbraw/zinc/50/18/79/569501879.db2.gz SHOAIAUCXSOOOZ-OTWHNJEPSA-N 1 0 430.615 1.045 50 0 IDAARO CCOC(=O)C1=C(CN2CC[NH2+][C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(OC)cc1OC ZINC000245327553 569503787 /nfs/dbraw/zinc/50/37/87/569503787.db2.gz KIYXOXRFFPUAOO-BTYIYWSLSA-N 1 0 446.548 1.901 50 0 IDAARO COc1ccc(C(=O)N[C@H](C)C(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)cc1OC ZINC000009185691 569510220 /nfs/dbraw/zinc/51/02/20/569510220.db2.gz SZKBFYZBBXCONY-CQSZACIVSA-N 1 0 427.505 1.209 50 0 IDAARO CCCn1c(N)c(N(CCOC)C(=O)C[N@H+](C)[C@@H]2CCCc3ccccc32)c(=O)[nH]c1=O ZINC000009602920 569551724 /nfs/dbraw/zinc/55/17/24/569551724.db2.gz KXTCPFZUAXHJSG-GOSISDBHSA-N 1 0 443.548 1.518 50 0 IDAARO O=C(CC[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000009982968 569576576 /nfs/dbraw/zinc/57/65/76/569576576.db2.gz VSQNZZDZJCCCON-LOXVZWDBSA-N 1 0 446.592 1.742 50 0 IDAARO COc1ccc(CCNC(=O)C[NH+]2CCC(c3nn(C)c(=O)n3C3CC3)CC2)cc1OC ZINC000077154419 569585722 /nfs/dbraw/zinc/58/57/22/569585722.db2.gz CAHZNQJCQFMGJW-UHFFFAOYSA-N 1 0 443.548 1.472 50 0 IDAARO C[C@@H]1CCCCN1CCN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000045974741 569586914 /nfs/dbraw/zinc/58/69/14/569586914.db2.gz XHQFRQKYUFLZOV-QGZVFWFLSA-N 1 0 426.558 1.123 50 0 IDAARO CC[N@@H+]1CCC[C@H]1CN(CCS(=O)(=O)N1CCNCC1)C(=O)c1ccc(Cl)cc1 ZINC000046140965 569586953 /nfs/dbraw/zinc/58/69/53/569586953.db2.gz JSEXHHRHTIPKFV-IBGZPJMESA-N 1 0 443.013 1.502 50 0 IDAARO CC[N@@H+]1CCC[C@@H]1CN(CCS(=O)(=O)N1CCNCC1)C(=O)c1ccc(Cl)cc1 ZINC000046140964 569586981 /nfs/dbraw/zinc/58/69/81/569586981.db2.gz JSEXHHRHTIPKFV-LJQANCHMSA-N 1 0 443.013 1.502 50 0 IDAARO CCn1nc(C)c2ccnc(N3CCC(C(=O)NCCN4CC[NH+](CC)CC4)CC3)c21 ZINC000033299123 569587514 /nfs/dbraw/zinc/58/75/14/569587514.db2.gz SRPAIXXJOBWVIH-UHFFFAOYSA-N 1 0 427.597 1.730 50 0 IDAARO NC(=O)C1([NH+]2CCCCC2)CCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000004053470 132269076 /nfs/dbraw/zinc/26/90/76/132269076.db2.gz SMZKOCHXNTZOJC-UHFFFAOYSA-N 1 0 429.565 1.268 50 0 IDAARO O=C(CCc1nnc2ccc(N3CCC4(CC3)OCCO4)nn21)NCCC[NH+]1CCCC1 ZINC000009745539 132328362 /nfs/dbraw/zinc/32/83/62/132328362.db2.gz AWNOKFPBENRRQJ-UHFFFAOYSA-N 1 0 443.552 1.002 50 0 IDAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)NCCCN4CCOCC4)c(C)c32)CC1 ZINC000021926765 519860792 /nfs/dbraw/zinc/86/07/92/519860792.db2.gz OYBZMNLEWLBHBP-UHFFFAOYSA-N 1 0 446.621 1.984 50 0 IDAARO CCOC(=O)C1CCN(C(=O)CCN(CC[NH+]2CCCCC2)C(=O)c2cnccn2)CC1 ZINC000035819287 520556983 /nfs/dbraw/zinc/55/69/83/520556983.db2.gz HKFUQAQSOJNTDP-UHFFFAOYSA-N 1 0 445.564 1.597 50 0 IDAARO CC[NH+](CC)CCCNC(=O)Cn1nc(N2CCN(c3ccccc3)CC2)ccc1=O ZINC000035375529 520611963 /nfs/dbraw/zinc/61/19/63/520611963.db2.gz FXWFLGYTWRCBKS-UHFFFAOYSA-N 1 0 426.565 1.418 50 0 IDAARO CCOc1ccc(C(=O)N(CCCN2CCCC2=O)CCC(=O)N2CC[NH2+]CC2)cc1 ZINC000035421489 520894562 /nfs/dbraw/zinc/89/45/62/520894562.db2.gz UNANHNAGJQTZFC-UHFFFAOYSA-N 1 0 430.549 1.362 50 0 IDAARO CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000012591831 520976188 /nfs/dbraw/zinc/97/61/88/520976188.db2.gz GQMNDSYKFDEZCZ-QFIPXVFZSA-N 1 0 437.544 1.520 50 0 IDAARO CCCc1cc(=O)n2nc(N(C)CC(=O)NCCCN3CC[NH+](CCC)CC3)sc2n1 ZINC000021165566 521345627 /nfs/dbraw/zinc/34/56/27/521345627.db2.gz VGFABLCHMKWCEW-UHFFFAOYSA-N 1 0 449.625 1.074 50 0 IDAARO CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCC1CC[NH+](CCOC)CC1 ZINC000012437916 521483641 /nfs/dbraw/zinc/48/36/41/521483641.db2.gz CFAALYRLKUWKDB-OAQYLSRUSA-N 1 0 446.592 1.250 50 0 IDAARO CC[NH+]1CCN(CC(=O)N2CCC[C@H](CCC(=O)N(C)CCc3ccccn3)C2)CC1 ZINC000022914716 521673402 /nfs/dbraw/zinc/67/34/02/521673402.db2.gz JBCXDUHPLPULHA-OAQYLSRUSA-N 1 0 429.609 1.739 50 0 IDAARO CC[NH+]1CCN(CCCNC(=O)C[C@H](C(=O)N2CCc3ccccc32)n2ccnc2)CC1 ZINC000020682820 521680440 /nfs/dbraw/zinc/68/04/40/521680440.db2.gz FXDQPFGHMHSQRA-JOCHJYFZSA-N 1 0 438.576 1.547 50 0 IDAARO CC[NH+]1CCN(CCNC(=O)c2cc3n(n2)CCCN(Cc2ccc(F)cc2)C3=O)CC1 ZINC000021933862 521682886 /nfs/dbraw/zinc/68/28/86/521682886.db2.gz UPPIOGAFZCKYRH-UHFFFAOYSA-N 1 0 442.539 1.436 50 0 IDAARO CC[NH+]1CCN([C@@H](CNC(=O)C(=O)NCc2ccccc2Cl)c2cccnc2)CC1 ZINC000022784405 521691374 /nfs/dbraw/zinc/69/13/74/521691374.db2.gz FOKDZJFLIAONSS-FQEVSTJZSA-N 1 0 429.952 1.846 50 0 IDAARO COc1cc(C[NH2+]CCSc2n[nH]c(C)n2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000012716445 522452562 /nfs/dbraw/zinc/45/25/62/522452562.db2.gz MVWLARKUDLOFHH-KRWDZBQOSA-N 1 0 437.566 1.076 50 0 IDAARO CCn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC([NH+]4CCCCC4)CC3)C2)c1 ZINC000021928005 523565556 /nfs/dbraw/zinc/56/55/56/523565556.db2.gz UPAIWFWSNGTPIZ-SFHVURJKSA-N 1 0 437.610 1.781 50 0 IDAARO CN1C(=O)c2cc(C(=O)NCCC[NH+]3CCCC3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021874386 523727740 /nfs/dbraw/zinc/72/77/40/523727740.db2.gz TZJHMWSMYBEDLL-JOCHJYFZSA-N 1 0 430.553 1.002 50 0 IDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2ccc(F)cc21 ZINC000020548882 523806982 /nfs/dbraw/zinc/80/69/82/523806982.db2.gz PYQOJUKCUHSMAI-QPXQOZNCSA-N 1 0 439.443 1.141 50 0 IDAARO COc1ccc(C)cc1S(=O)(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CC[NH+](C)CC1 ZINC000022798333 523849088 /nfs/dbraw/zinc/84/90/88/523849088.db2.gz ZUFKHLQQGVXOJJ-SFHVURJKSA-N 1 0 447.557 1.999 50 0 IDAARO Cn1c2nc(CN3CC[NH+](C)CC3)n(Cc3c(F)cccc3Cl)c2c(=O)n(C)c1=O ZINC000020504003 523912335 /nfs/dbraw/zinc/91/23/35/523912335.db2.gz XFOLPKGQEIDYGS-UHFFFAOYSA-N 1 0 434.903 1.022 50 0 IDAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)c2ccsc2)CC1 ZINC000022766230 523916865 /nfs/dbraw/zinc/91/68/65/523916865.db2.gz FSSIIVVMBPFGEP-KRWDZBQOSA-N 1 0 430.530 1.198 50 0 IDAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)c2ccc(F)cc2)CC1 ZINC000022795803 523919576 /nfs/dbraw/zinc/91/95/76/523919576.db2.gz KCGFFGJSYLQLBB-LJQANCHMSA-N 1 0 442.491 1.276 50 0 IDAARO C[NH+](C)CCCNC(=O)C[C@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21 ZINC000012233354 524056577 /nfs/dbraw/zinc/05/65/77/524056577.db2.gz UYVCSOQYQAEFFQ-HNNXBMFYSA-N 1 0 430.509 1.826 50 0 IDAARO Cn1c(=O)c2c3nnc(SCCC[NH+](C)C)n3c(-c3ccccc3)nc2n(C)c1=O ZINC000012406704 524058387 /nfs/dbraw/zinc/05/83/87/524058387.db2.gz HDYXQIGXBBOCMS-UHFFFAOYSA-N 1 0 425.518 1.386 50 0 IDAARO COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)cc1OC ZINC000022796363 524458980 /nfs/dbraw/zinc/45/89/80/524458980.db2.gz JNFKPNBBQHKNQT-IBGZPJMESA-N 1 0 444.507 1.886 50 0 IDAARO COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CC[NH+](C)CC1 ZINC000020614341 524583937 /nfs/dbraw/zinc/58/39/37/524583937.db2.gz KKHZJOVRNUMQFU-GOSISDBHSA-N 1 0 440.500 1.467 50 0 IDAARO COc1ccc(OC)c(C[N@H+]2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)c1 ZINC000020451286 524827854 /nfs/dbraw/zinc/82/78/54/524827854.db2.gz AGASZOGLHLHVPS-UHFFFAOYSA-N 1 0 436.516 1.721 50 0 IDAARO C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCn1cc(C(=O)N2CCC[N@H+](C)CC2)nn1 ZINC000012450431 525941430 /nfs/dbraw/zinc/94/14/30/525941430.db2.gz YLDRVWHYKWTFJB-OAHLLOKOSA-N 1 0 434.928 1.293 50 0 IDAARO C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@@]21c2ccccc2NC1=O ZINC000020760321 526097581 /nfs/dbraw/zinc/09/75/81/526097581.db2.gz XKLVJEDXEYQMDS-CYZXZAEJSA-N 1 0 432.480 1.434 50 0 biogenic IDAARO O=C(C[NH2+][C@H](c1cccs1)c1ccccc1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000012795569 526891297 /nfs/dbraw/zinc/89/12/97/526891297.db2.gz HSFUNGJAAKYCIO-QHCPKHFHSA-N 1 0 442.585 1.430 50 0 IDAARO Cn1c(=O)c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)nn(-c2ccc(F)cc2)c1=O ZINC000035446301 527023017 /nfs/dbraw/zinc/02/30/17/527023017.db2.gz VNYMXWFBHUVNMB-UHFFFAOYSA-N 1 0 437.475 1.465 50 0 IDAARO O=C1N(Cc2ccccn2)C(=O)C2(CC[NH+](C[C@H](O)CO)CC2)N1CCc1ccccc1 ZINC000014532998 527039000 /nfs/dbraw/zinc/03/90/00/527039000.db2.gz BETPQUFOIITBLI-NRFANRHFSA-N 1 0 438.528 1.276 50 0 IDAARO Cn1c2ccccc2n(CC(=O)NCC[NH+]2CCC(Cc3ccccc3)CC2)c(=O)c1=O ZINC000021943797 527110595 /nfs/dbraw/zinc/11/05/95/527110595.db2.gz ZBLMXVDSNAVMKT-UHFFFAOYSA-N 1 0 434.540 1.771 50 0 IDAARO Cn1cc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012588313 527202143 /nfs/dbraw/zinc/20/21/43/527202143.db2.gz XTNISCNSZXORQM-SFHVURJKSA-N 1 0 426.517 1.929 50 0 IDAARO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000012532941 527314621 /nfs/dbraw/zinc/31/46/21/527314621.db2.gz FLVOKCBEQCUJRT-GOSISDBHSA-N 1 0 444.557 1.175 50 0 IDAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ncccn3)CC2)=[NH+][C@H]1c1ccc(Cl)cc1 ZINC000009420271 535502891 /nfs/dbraw/zinc/50/28/91/535502891.db2.gz VRQWTZKZHQYQGM-IRXDYDNUSA-N 1 0 442.907 1.658 50 0 IDAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ncccn3)CC2)=[NH+][C@H]1c1ccc(OC)cc1 ZINC000009183794 535503113 /nfs/dbraw/zinc/50/31/13/535503113.db2.gz GYCCIRBUWKNYKX-ROUUACIJSA-N 1 0 438.488 1.014 50 0 IDAARO COCCN(C[C@H]1CN(C[C@H](O)C[NH+]2CCCCC2)CCO1)C(=O)c1ccc(OC)cc1 ZINC000034691372 555804147 /nfs/dbraw/zinc/80/41/47/555804147.db2.gz GDARETBOYCSOJZ-FYYLOGMGSA-N 1 0 449.592 1.331 50 0 IDAARO Cc1c(C)n2c(nc3c2c(=O)n(CC[NH+]2CCCCC2)c(=O)n3C)n1C[C@H]1CCCO1 ZINC000004314306 555985549 /nfs/dbraw/zinc/98/55/49/555985549.db2.gz LHNWVXLXZFCFOW-QGZVFWFLSA-N 1 0 428.537 1.431 50 0 IDAARO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC(=O)N(CCC(=O)OC)C[C@H](OCc2ccncc2)C1 ZINC000014542325 556082825 /nfs/dbraw/zinc/08/28/25/556082825.db2.gz SCFNHEYYWHYDJK-VQTJNVASSA-N 1 0 446.548 1.075 50 0 IDAARO COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1cnn(C)c1C)CC2 ZINC000014535521 556423151 /nfs/dbraw/zinc/42/31/51/556423151.db2.gz SURUKTAUEHOODB-UHFFFAOYSA-N 1 0 426.521 1.569 50 0 IDAARO [NH3+]CCCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3cc(Cl)ccc3Cl)CN2C1=O ZINC000014536981 556423757 /nfs/dbraw/zinc/42/37/57/556423757.db2.gz NXTQPVNADOYOCZ-WHOFXGATSA-N 1 0 428.320 1.712 50 0 IDAARO COCCN1C(=O)N(CC(=O)OC)C(=O)C12CC[NH+](CC[C@H](C)c1ccc(C)o1)CC2 ZINC000014540988 556425512 /nfs/dbraw/zinc/42/55/12/556425512.db2.gz GQULHMMDGIVIOZ-INIZCTEOSA-N 1 0 435.521 2.000 50 0 IDAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000032863570 556448614 /nfs/dbraw/zinc/44/86/14/556448614.db2.gz LXFAXVNHTOJHOG-SFHVURJKSA-N 1 0 442.557 1.198 50 0 IDAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1 ZINC000013118030 556471065 /nfs/dbraw/zinc/47/10/65/556471065.db2.gz DIVFGELCRRIUFC-OAHLLOKOSA-N 1 0 431.566 1.935 50 0 IDAARO COc1cc(=O)n2c(c1C(=O)NCCCn1ccnc1)CC[N@@H+](Cc1ccccc1)CC2 ZINC000014990723 556474726 /nfs/dbraw/zinc/47/47/26/556474726.db2.gz MVCXRYONEMEFDN-UHFFFAOYSA-N 1 0 435.528 1.932 50 0 IDAARO COc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)ccc1OCC(=O)N1CCOCC1 ZINC000013146547 556488766 /nfs/dbraw/zinc/48/87/66/556488766.db2.gz RRLMLRNXWXMOMB-FQEVSTJZSA-N 1 0 441.528 1.966 50 0 IDAARO COc1cccc(C[N@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)c1OC ZINC000015068204 556494082 /nfs/dbraw/zinc/49/40/82/556494082.db2.gz LJXBPNYBYMJVJH-SFHVURJKSA-N 1 0 437.566 1.600 50 0 IDAARO COc1cc(C[NH2+][C@@H]2CC(=O)N(CCN3CCOCC3)C2)ccc1OCC(F)(F)F ZINC000072294580 556512442 /nfs/dbraw/zinc/51/24/42/556512442.db2.gz NQUGBSUPDCQWAD-MRXNPFEDSA-N 1 0 431.455 1.659 50 0 IDAARO CCn1cc(C(=O)N[C@@H](C)C(=O)NC[C@@H]2CCC[N@@H+]2CC)c(=O)c2cc3c(cc21)OCO3 ZINC000013624956 556536759 /nfs/dbraw/zinc/53/67/59/556536759.db2.gz JBGHLRFROAFSFN-GJZGRUSLSA-N 1 0 442.516 1.469 50 0 IDAARO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[NH2+][C@@H](CCC(N)=O)[C@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21 ZINC000016020142 556574813 /nfs/dbraw/zinc/57/48/13/556574813.db2.gz KCSUZGNYMXHPDB-DYXJYMTDSA-N 1 0 444.919 1.577 50 0 IDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2ccc(F)cc21 ZINC000016022125 556575361 /nfs/dbraw/zinc/57/53/61/556575361.db2.gz PYQOJUKCUHSMAI-GBPOLFSSSA-N 1 0 439.443 1.141 50 0 IDAARO O=C(Cn1cncn1)NCC(=O)O[C@H]1CCC[C@@H]1[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000072310686 556576373 /nfs/dbraw/zinc/57/63/73/556576373.db2.gz ZHZRNUNIEDEWQB-OALUTQOASA-N 1 0 446.939 1.334 50 0 IDAARO Cc1ccc(NC(=O)c2nnc(CCCC(=O)NCCN3CC[NH+](C)CC3)s2)cc1 ZINC000032995157 556610297 /nfs/dbraw/zinc/61/02/97/556610297.db2.gz YKNXYNINLGLDCK-UHFFFAOYSA-N 1 0 430.578 1.785 50 0 IDAARO C[NH+]1CCN(CCNC(=O)CCCc2nnc(C(=O)Nc3cccc(F)c3)s2)CC1 ZINC000032995448 556610762 /nfs/dbraw/zinc/61/07/62/556610762.db2.gz IGGKCLFCDHWKHL-UHFFFAOYSA-N 1 0 434.541 1.616 50 0 IDAARO O=C(c1ccccc1F)N(CCC[NH+]1CCCCC1)CCS(=O)(=O)N1CCNCC1 ZINC000046141040 556692075 /nfs/dbraw/zinc/69/20/75/556692075.db2.gz IWISXMNUFYTHSW-UHFFFAOYSA-N 1 0 440.585 1.379 50 0 IDAARO C[C@@H]1CCCC[N@@H+]1CCN(CCS(=O)(=O)N1CCNCC1)C(=O)c1ccccc1F ZINC000046141052 556692096 /nfs/dbraw/zinc/69/20/96/556692096.db2.gz WBCMUAINCWLZQX-GOSISDBHSA-N 1 0 440.585 1.377 50 0 IDAARO O=C(c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(F)cc2)c1)N1CCOCC1 ZINC000033032963 556713112 /nfs/dbraw/zinc/71/31/12/556713112.db2.gz AIYNBDPIHITVMH-UHFFFAOYSA-N 1 0 448.520 1.509 50 0 IDAARO COc1ccc(S(=O)(=O)Nc2cc(C(=O)N(C)C)ccc2N2CC[NH2+]CC2)cc1OC ZINC000033033259 556714038 /nfs/dbraw/zinc/71/40/38/556714038.db2.gz FFARWYOXPCLYMX-UHFFFAOYSA-N 1 0 448.545 1.616 50 0 IDAARO COCCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000033034080 556715491 /nfs/dbraw/zinc/71/54/91/556715491.db2.gz ZWXJWPDZQWBZRF-UHFFFAOYSA-N 1 0 448.545 1.282 50 0 IDAARO O=C1c2ccccc2C(=O)N1CCCNCC[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000019369024 556746813 /nfs/dbraw/zinc/74/68/13/556746813.db2.gz XLHXDJJWXSDWMT-UHFFFAOYSA-N 1 0 434.496 1.538 50 0 IDAARO O=S(=O)(c1ccc(S(=O)(=O)N2CCC([NH+]3CCCC3)CC2)cc1)N1CCCC1 ZINC000058135911 556760556 /nfs/dbraw/zinc/76/05/56/556760556.db2.gz XSNRLDWSOVBAHO-UHFFFAOYSA-N 1 0 427.592 1.720 50 0 IDAARO C[NH+]1CCN(c2ccc(NC(=O)NCCCNS(C)(=O)=O)c(C(F)(F)F)c2)CC1 ZINC000058162084 556765789 /nfs/dbraw/zinc/76/57/89/556765789.db2.gz QPGSGMBSCNEVNN-UHFFFAOYSA-N 1 0 437.488 1.518 50 0 IDAARO Cc1cc(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)cc(S(=O)(=O)N(C)C)c1C ZINC000058305923 556779043 /nfs/dbraw/zinc/77/90/43/556779043.db2.gz YHRFATRYUOXYML-UHFFFAOYSA-N 1 0 441.594 1.899 50 0 IDAARO O=C(NC[C@@H]1CC[N@H+](CCN2CCOCC2)C1)Nc1cccc(Cn2cccnc2=O)c1 ZINC000058368731 556783404 /nfs/dbraw/zinc/78/34/04/556783404.db2.gz FQMXHYUZQHTDNC-FQEVSTJZSA-N 1 0 440.548 1.067 50 0 IDAARO C[NH+](C)CCOc1cccc(CNC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c1 ZINC000059350444 556798530 /nfs/dbraw/zinc/79/85/30/556798530.db2.gz LPTDDZVWPOFLLE-UHFFFAOYSA-N 1 0 430.530 1.372 50 0 IDAARO Cc1cc(N2CCN(S(=O)(=O)c3cc(F)ccc3C)CC2)nc(N2CCOCC2)[nH+]1 ZINC000064814530 556827564 /nfs/dbraw/zinc/82/75/64/556827564.db2.gz YDXUWERVUYSLDS-UHFFFAOYSA-N 1 0 435.525 1.580 50 0 IDAARO COc1ccc(N(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)cc1 ZINC000065362261 556834192 /nfs/dbraw/zinc/83/41/92/556834192.db2.gz LDIWBWWAYAPOOT-UHFFFAOYSA-N 1 0 432.546 1.852 50 0 IDAARO COc1ccc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(N4CCOCC4)n3)CC2)cc1C ZINC000065363397 556835246 /nfs/dbraw/zinc/83/52/46/556835246.db2.gz KXZRSJUQEZCCQZ-UHFFFAOYSA-N 1 0 447.561 1.450 50 0 IDAARO COc1ccc(OC)c(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)c1 ZINC000065365871 556836205 /nfs/dbraw/zinc/83/62/05/556836205.db2.gz FPYNZWHXTJLGLH-UHFFFAOYSA-N 1 0 447.561 1.913 50 0 IDAARO CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000067614206 556844248 /nfs/dbraw/zinc/84/42/48/556844248.db2.gz NEUJWFOIHZRNOF-UHFFFAOYSA-N 1 0 431.562 1.933 50 0 IDAARO CN1CCN(S(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCCC3)ccc2Cl)CC1 ZINC000072139282 556899276 /nfs/dbraw/zinc/89/92/76/556899276.db2.gz QIJUVAYKTBIYNY-UHFFFAOYSA-N 1 0 428.986 1.492 50 0 IDAARO COc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)c(OC)c1 ZINC000019836341 556927974 /nfs/dbraw/zinc/92/79/74/556927974.db2.gz JMLFECXMVYSTNE-SFHVURJKSA-N 1 0 429.521 1.191 50 0 IDAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1cccc(OCCO)c1)CC2)c1ccoc1 ZINC000019883991 556937980 /nfs/dbraw/zinc/93/79/80/556937980.db2.gz STLJYGYJYGNWBP-UHFFFAOYSA-N 1 0 425.489 1.273 50 0 IDAARO CC[NH+]1CCN(C[C@@H](O)COc2ccc(CN(C)Cc3nonc3C)cc2OC)CC1 ZINC000020254687 557003437 /nfs/dbraw/zinc/00/34/37/557003437.db2.gz GHYMYQJKTGUAPM-LJQANCHMSA-N 1 0 433.553 1.396 50 0 IDAARO CCC[NH+]1CCN(CCCNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)N(C)C)CC1 ZINC000033269482 557046847 /nfs/dbraw/zinc/04/68/47/557046847.db2.gz FNYLPJLWXJVWLI-UHFFFAOYSA-N 1 0 439.626 1.142 50 0 IDAARO COCCNC(=O)c1cc(NS(=O)(=O)c2cc(C)ccc2C)ccc1N1CC[NH2+]CC1 ZINC000033275412 557054284 /nfs/dbraw/zinc/05/42/84/557054284.db2.gz ZLTHMDXXOBEGDU-UHFFFAOYSA-N 1 0 446.573 1.890 50 0 IDAARO COc1cc(=O)n2c(c1C(=O)N1CCC[C@@H](O)C1)CC[N@@H+](Cc1sccc1C)CC2 ZINC000023129420 557066423 /nfs/dbraw/zinc/06/64/23/557066423.db2.gz VZPZZBJFPRNKCP-MRXNPFEDSA-N 1 0 431.558 1.882 50 0 IDAARO Cc1csc(-c2cc(S(=O)(=O)NCC[NH+](C)C)cn2CC(=O)N2CCCCC2)n1 ZINC000033307634 557087608 /nfs/dbraw/zinc/08/76/08/557087608.db2.gz CSBBYDRPPMILAU-UHFFFAOYSA-N 1 0 439.607 1.772 50 0 IDAARO CCCCOCCOC(=O)[C@H](CCCNC(N)=[NH2+])NS(=O)(=O)c1ccc(C)cc1 ZINC000095918106 557161669 /nfs/dbraw/zinc/16/16/69/557161669.db2.gz VRQJWDNJZDDLNB-KRWDZBQOSA-N 1 0 428.555 1.265 50 0 IDAARO CSCCc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC000072235869 557200531 /nfs/dbraw/zinc/20/05/31/557200531.db2.gz RSYHZPQWPGQXPU-IBGZPJMESA-N 1 0 434.606 1.301 50 0 IDAARO C[NH+](C)CCNC(=O)C[C@@H]1CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)n21 ZINC000011613400 557209519 /nfs/dbraw/zinc/20/95/19/557209519.db2.gz HXWVEKUYZBUXLI-CQSZACIVSA-N 1 0 432.937 1.950 50 0 IDAARO CCOC(=O)C1=C(O)NC(N2CCN(C(=O)OCC)CC2)=[NH+][C@H]1c1ccc(Cl)cc1 ZINC000018077705 557235310 /nfs/dbraw/zinc/23/53/10/557235310.db2.gz BHXUCWXFUBANPW-CVEARBPZSA-N 1 0 436.896 1.820 50 0 IDAARO COCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)[NH2+][C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000247847844 557349430 /nfs/dbraw/zinc/34/94/30/557349430.db2.gz NKZXHBWKHXAHSY-SMOZNVCYSA-N 1 0 435.480 1.392 50 0 IDAARO CCN1CCC[C@H]1C[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000023352037 557350447 /nfs/dbraw/zinc/35/04/47/557350447.db2.gz RSOYBLPYTIHWMG-NRFANRHFSA-N 1 0 444.601 1.747 50 0 IDAARO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000107075933 557534577 /nfs/dbraw/zinc/53/45/77/557534577.db2.gz ILLGNPXGINGWKR-XHSDSOJGSA-N 1 0 429.608 1.772 50 0 IDAARO COC(=O)C[C@]12C(=O)NCC[N@H+]1[C@H](c1ccccc1)[C@@H]1C(=O)N(c3ccccc3C)C(=O)[C@@H]12 ZINC000245318930 557850226 /nfs/dbraw/zinc/85/02/26/557850226.db2.gz XNXNWJFYULHZJU-YCFYUYSTSA-N 1 0 447.491 1.589 50 0 IDAARO CSCC[C@H]([NH3+])C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)NCc2ccc(F)cc2)CC1 ZINC000009330967 562969308 /nfs/dbraw/zinc/96/93/08/562969308.db2.gz TVISSERFJHLDBX-KSSFIOAISA-N 1 0 438.569 1.266 50 0 biogenic IDAARO CN(CC(=O)N1CC[NH+](C2CCCCC2)CC1)S(=O)(=O)c1cccc2nsnc21 ZINC000020235485 563024230 /nfs/dbraw/zinc/02/42/30/563024230.db2.gz PEOMWMHEYOVRJM-UHFFFAOYSA-N 1 0 437.591 1.789 50 0 IDAARO COCCN(C[C@H]1CN(C[C@H](O)COCC(C)C)CCO1)C(=O)c1ccc(OC)cc1 ZINC000105038731 568624267 /nfs/dbraw/zinc/62/42/67/568624267.db2.gz UXMAYXAEWZCIGS-RBBKRZOGSA-N 1 0 438.565 1.518 50 0 IDAARO O=C(c1ccc(F)cc1)N(CC1CC1)C[C@@H]1CN(C[C@@H](O)CN2CCOCC2)CCO1 ZINC000105039182 568624295 /nfs/dbraw/zinc/62/42/95/568624295.db2.gz XYPJILJVIKGDKZ-VXKWHMMOSA-N 1 0 435.540 1.072 50 0 IDAARO O=C(CC[N@@H+]1CC[C@H](OCCN2CCOCC2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000084405206 568797762 /nfs/dbraw/zinc/79/77/62/568797762.db2.gz MFZUDWACRXNDDO-QFIPXVFZSA-N 1 0 434.556 1.288 50 0 IDAARO CN1C(=O)c2cc(C(=O)NCC[NH+]3CCCCCC3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000015723706 568812359 /nfs/dbraw/zinc/81/23/59/568812359.db2.gz IJCLALDAEGKGCX-QHCPKHFHSA-N 1 0 444.580 1.392 50 0 IDAARO Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)[nH+]1 ZINC000015838328 568844214 /nfs/dbraw/zinc/84/42/14/568844214.db2.gz GIQSNMRYALNRIW-UHFFFAOYSA-N 1 0 435.484 1.690 50 0 IDAARO COc1cc(C(=O)N(CCc2ccccc2)CC(=O)N2CC[NH2+]CC2)cc(OC)c1OC ZINC000015864076 568849512 /nfs/dbraw/zinc/84/95/12/568849512.db2.gz XCRZCGVUHZOWEC-UHFFFAOYSA-N 1 0 441.528 1.829 50 0 IDAARO Cn1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000013003171 568898549 /nfs/dbraw/zinc/89/85/49/568898549.db2.gz FLOQBTLTSTYFDN-FQEVSTJZSA-N 1 0 430.574 1.817 50 0 IDAARO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000239760872 568911652 /nfs/dbraw/zinc/91/16/52/568911652.db2.gz CIFQGUKLIULJCB-UXHICEINSA-N 1 0 434.606 1.387 50 0 IDAARO CCOC(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](C)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)C1=O ZINC000247952453 568918760 /nfs/dbraw/zinc/91/87/60/568918760.db2.gz KSXPGDMDBZILQH-HRMOJPLVSA-N 1 0 433.464 1.589 50 0 IDAARO CCOC(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O ZINC000247969687 568918766 /nfs/dbraw/zinc/91/87/66/568918766.db2.gz RXSJDMJKDUSMSN-UYJSTHFGSA-N 1 0 447.491 1.585 50 0 IDAARO CCOC(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](C)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)C1=O ZINC000247952449 568918917 /nfs/dbraw/zinc/91/89/17/568918917.db2.gz KSXPGDMDBZILQH-AJQRVKNESA-N 1 0 433.464 1.589 50 0 IDAARO CCn1ccnc1-c1cccc(NC(=O)C(=O)Nc2cnn(C[C@@H](O)C[NH+](C)C)c2)c1 ZINC000089310040 568920826 /nfs/dbraw/zinc/92/08/26/568920826.db2.gz DWIUATIYFVBHIN-SFHVURJKSA-N 1 0 425.493 1.266 50 0 IDAARO CS[C@@H]1CN(C(=O)CN2C(=O)COc3cc(Br)ccc32)C[C@H]1[NH+](C)C ZINC000089314092 568920840 /nfs/dbraw/zinc/92/08/40/568920840.db2.gz SPPBCRHHUYYHQI-UKRRQHHQSA-N 1 0 428.352 1.679 50 0 IDAARO C[C@H](c1ccccc1)n1c(=O)c(C(=O)NCC[NH+](C)C)nn(-c2ccc(Cl)cc2)c1=O ZINC000036085843 568948199 /nfs/dbraw/zinc/94/81/99/568948199.db2.gz GQCZVEOAVMVGTN-OAHLLOKOSA-N 1 0 441.919 1.948 50 0 IDAARO Cc1cccc(-n2nc(C(=O)NCC[NH+](C)C)c(=O)n(Cc3ccccc3F)c2=O)c1 ZINC000036086869 568949168 /nfs/dbraw/zinc/94/91/68/568949168.db2.gz JURHSVOUHIKYHP-UHFFFAOYSA-N 1 0 425.464 1.181 50 0 IDAARO Cc1cccc(-n2nc(C(=O)NCC[NH+](C)C)c(=O)n(Cc3ccccc3Cl)c2=O)c1 ZINC000036087098 568949371 /nfs/dbraw/zinc/94/93/71/568949371.db2.gz YLTBROKPGXMKKO-UHFFFAOYSA-N 1 0 441.919 1.696 50 0 IDAARO Cc1ccc(-n2nc(C(=O)NCC[NH+](C)C)c(=O)n(Cc3ccccc3)c2=O)cc1Cl ZINC000036089064 568950086 /nfs/dbraw/zinc/95/00/86/568950086.db2.gz UQKGGGOPPMKVGP-UHFFFAOYSA-N 1 0 441.919 1.696 50 0 IDAARO COc1cc(NC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@@H+](C)CC2)cc(OC)c1OC ZINC000064836198 568969078 /nfs/dbraw/zinc/96/90/78/568969078.db2.gz GLHRDUKUCXYVBX-UHFFFAOYSA-N 1 0 427.461 1.299 50 0 IDAARO Cc1cccc(CN2CCN(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)C(=O)C2=O)c1 ZINC000064888831 568979496 /nfs/dbraw/zinc/97/94/96/568979496.db2.gz QERRTEVGBUDPFA-UHFFFAOYSA-N 1 0 448.567 1.947 50 0 IDAARO CN(C)S(=O)(=O)c1ccc2c(c1)nnn2CCC(=O)NCCC[NH+]1CCCCCC1 ZINC000064889355 568979953 /nfs/dbraw/zinc/97/99/53/568979953.db2.gz WFGVFYNGUSMEOR-UHFFFAOYSA-N 1 0 436.582 1.454 50 0 IDAARO CC(=O)N1CCCSc2ccc(S(=O)(=O)NCCCN3CC[NH+](C)CC3)cc21 ZINC000064952240 568996736 /nfs/dbraw/zinc/99/67/36/568996736.db2.gz IPBRCGICQTVBKO-UHFFFAOYSA-N 1 0 426.608 1.451 50 0 IDAARO Cc1cccc(CN2CCCn3nc(C(=O)NCCCN4CC[NH+](C)CC4)cc3C2=O)c1 ZINC000064959752 569000037 /nfs/dbraw/zinc/00/00/37/569000037.db2.gz OIEKMKMMIRBWOD-UHFFFAOYSA-N 1 0 438.576 1.605 50 0 IDAARO Cc1noc2nc(C)n(CC(=O)NCCCN3CC[NH+](C4CCCCC4)CC3)c(=O)c12 ZINC000064960627 569000415 /nfs/dbraw/zinc/00/04/15/569000415.db2.gz DPTZXGPJBGJGIG-UHFFFAOYSA-N 1 0 430.553 1.458 50 0 IDAARO CCCc1ccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)NCC)c2)cc1 ZINC000065025299 569090602 /nfs/dbraw/zinc/09/06/02/569090602.db2.gz DTHWQZQGRISOPV-UHFFFAOYSA-N 1 0 431.562 1.994 50 0 IDAARO CCc1noc2nc(CCC(=O)NCCCN3CC[NH+](C)CC3)nc(N3CCCCC3)c12 ZINC000065056864 569094901 /nfs/dbraw/zinc/09/49/01/569094901.db2.gz CZFMDBQLVGCXRV-UHFFFAOYSA-N 1 0 443.596 1.857 50 0 IDAARO COc1ccc(S(=O)(=O)CCc2noc(C(=O)NCC[NH+]3CCC(C)CC3)n2)cc1 ZINC000065117668 569108384 /nfs/dbraw/zinc/10/83/84/569108384.db2.gz HYEWDEMFNLPIFK-UHFFFAOYSA-N 1 0 436.534 1.556 50 0 IDAARO Cc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)N3CCC[N@@H+](C)CC3)c2=O)cc1 ZINC000065212516 569116794 /nfs/dbraw/zinc/11/67/94/569116794.db2.gz DNKMNSMQVNIQEH-UHFFFAOYSA-N 1 0 432.546 1.430 50 0 IDAARO C[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnc(C(=O)N4CCC[N@H+](C)CC4)c3)nc2)C1 ZINC000065254366 569122673 /nfs/dbraw/zinc/12/26/73/569122673.db2.gz CPDDLDLOHHVKQY-KRWDZBQOSA-N 1 0 446.577 1.466 50 0 IDAARO Cn1c2cc(C(=O)NCCN3CCC([NH+]4CCCCC4)CC3)ccc2n2nccc2c1=O ZINC000065270663 569127569 /nfs/dbraw/zinc/12/75/69/569127569.db2.gz ICLFXGYISAIOHD-UHFFFAOYSA-N 1 0 436.560 1.866 50 0 IDAARO CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)N2CC[NH+](C(C)C)CC2)CC3)CC1 ZINC000065273784 569128283 /nfs/dbraw/zinc/12/82/83/569128283.db2.gz KEXOOUQYUWBCMH-QGZVFWFLSA-N 1 0 433.622 1.859 50 0 IDAARO CCCC[NH+]1CCN(C(=O)[C@H]2CCc3nc(N4CCN(C(C)=O)CC4)sc3C2)CC1 ZINC000065273763 569128288 /nfs/dbraw/zinc/12/82/88/569128288.db2.gz ZGNLEUMLBMSTEE-SFHVURJKSA-N 1 0 433.622 1.861 50 0 IDAARO Cc1ccc(NC(=O)CN2CCSCC[C@@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000170616722 569146756 /nfs/dbraw/zinc/14/67/56/569146756.db2.gz WBRGUSSYLNEAND-INIZCTEOSA-N 1 0 427.592 1.782 50 0 IDAARO CC(C)NC(=O)C[N@H+](C)C1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000089885229 569166504 /nfs/dbraw/zinc/16/65/04/569166504.db2.gz VKIGSKKCQUVEQZ-UHFFFAOYSA-N 1 0 436.578 1.288 50 0 IDAARO CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000089960391 569169114 /nfs/dbraw/zinc/16/91/14/569169114.db2.gz CBOQDXZRFSHDFV-UHFFFAOYSA-N 1 0 442.538 1.883 50 0 IDAARO Cc1ccc(C)c(S(=O)(=O)N2CCN(c3nc(N4CCOCC4)cc(C)[nH+]3)CC2)c1 ZINC000017026491 569171110 /nfs/dbraw/zinc/17/11/10/569171110.db2.gz GRRVUNIMUJIJPH-UHFFFAOYSA-N 1 0 431.562 1.749 50 0 IDAARO C/C(Cl)=C\Cn1c(N2CC[NH+](Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000252490643 569187009 /nfs/dbraw/zinc/18/70/09/569187009.db2.gz KYINXFNHBINYNC-CXUHLZMHSA-N 1 0 442.951 1.899 50 0 IDAARO O=C(C[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000252527684 569189728 /nfs/dbraw/zinc/18/97/28/569189728.db2.gz DDMXRBMHNURWSL-RCCFBDPRSA-N 1 0 442.516 1.811 50 0 IDAARO C[C@H](NC(=O)C(=O)NCC[NH+](C)C)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020288207 569359388 /nfs/dbraw/zinc/35/93/88/569359388.db2.gz REPWYFXTXYQBNW-GHTZIAJQSA-N 1 0 443.617 1.794 50 0 IDAARO CC[NH+]1CCN(CCCNC(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)CC1 ZINC000020355022 569361296 /nfs/dbraw/zinc/36/12/96/569361296.db2.gz FDJNIGBASURASR-UHFFFAOYSA-N 1 0 448.571 1.526 50 0 IDAARO CN(C[C@@H](O)CN1CC[NH+](C)CC1)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000095406737 569364737 /nfs/dbraw/zinc/36/47/37/569364737.db2.gz TWYISXCDROWVAC-AZUAARDMSA-N 1 0 436.984 1.259 50 0 IDAARO COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000095446742 569367343 /nfs/dbraw/zinc/36/73/43/569367343.db2.gz DVFAGKDCLXXONQ-LJQANCHMSA-N 1 0 431.581 1.018 50 0 IDAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(C)C(=O)N[C@H]1c1cc(OC)ccc1OC ZINC000096210258 569386498 /nfs/dbraw/zinc/38/64/98/569386498.db2.gz COGOVNBTUCJYMV-NRFANRHFSA-N 1 0 446.548 1.855 50 0 IDAARO CC[N@H+](Cc1ccccc1)Cc1c(N)n(Cc2ccccc2)c(=O)n(CC(=O)OC)c1=O ZINC000003376354 569448684 /nfs/dbraw/zinc/44/86/84/569448684.db2.gz ZVOVVJQMFZVYFX-UHFFFAOYSA-N 1 0 436.512 1.836 50 0 IDAARO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1ccc(Cn2cnnn2)cc1 ZINC000670458570 569459898 /nfs/dbraw/zinc/45/98/98/569459898.db2.gz LVRUVMFYHREGQI-DJSMFCCRSA-N 1 0 429.528 1.019 50 0 IDAARO CS(=O)(=O)c1cccc(C(=O)N[C@@H]2C3CN4CC2(c2ccccc2)CN(C3)CC4)c1 ZINC000670462312 569461084 /nfs/dbraw/zinc/46/10/84/569461084.db2.gz ALQCKOKNEYQSGZ-JRSYVHTFSA-N 1 0 425.554 1.388 50 0 IDAARO O=C(Cn1cc(C(=O)C(=O)NCCC[NH+]2CCCC2)c2ccccc21)N1CCOCC1 ZINC000004272302 569461691 /nfs/dbraw/zinc/46/16/91/569461691.db2.gz DUCLMJZVXGHJBZ-UHFFFAOYSA-N 1 0 426.517 1.285 50 0 IDAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)NC(=O)N[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000067286744 569467170 /nfs/dbraw/zinc/46/71/70/569467170.db2.gz DJBIVQZUNNYEHG-HXUWFJFHSA-N 1 0 432.521 1.512 50 0 IDAARO O=C(NCCC[NH+]1CCCCC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000008661362 569469817 /nfs/dbraw/zinc/46/98/17/569469817.db2.gz KJRJVIDJXPLSMC-UHFFFAOYSA-N 1 0 446.573 1.918 50 0 IDAARO Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)=NN4CC[NH+]3CCCCC3)n(C)c2=O)cc1 ZINC000008704597 569470318 /nfs/dbraw/zinc/47/03/18/569470318.db2.gz MILXWBQHFXYWLS-UHFFFAOYSA-N 1 0 449.559 1.935 50 0 IDAARO CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@]2(C)[C@H]1[C@H](C)C[C@@H]1OC(=O)[C@H](C[NH+]3CCCC3)[C@H]1[C@@H]2O ZINC000008740166 569472774 /nfs/dbraw/zinc/47/27/74/569472774.db2.gz CXVDWNNRIYXLKR-RSQUBLDASA-N 1 0 437.533 1.530 50 0 biogenic IDAARO C[C@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCC[NH+]3CCCC3)c2c1 ZINC000008812079 569476610 /nfs/dbraw/zinc/47/66/10/569476610.db2.gz LQMVCVZKXULUKR-INIZCTEOSA-N 1 0 446.573 1.917 50 0 IDAARO COc1ccc([C@@H](CNC(=O)Cn2nc(C(N)=O)c3ccccc3c2=O)[NH+]2CCCC2)cc1 ZINC000008895481 569483813 /nfs/dbraw/zinc/48/38/13/569483813.db2.gz DGNSLTXMWAVFCK-HXUWFJFHSA-N 1 0 449.511 1.457 50 0 IDAARO CC[NH+]1CCN(c2ccc(CNC(=O)c3cccc(S(=O)(=O)NC4CC4)c3)cn2)CC1 ZINC000040121470 569489586 /nfs/dbraw/zinc/48/95/86/569489586.db2.gz MXOQNFIGKWZCCD-UHFFFAOYSA-N 1 0 443.573 1.594 50 0 IDAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)C1 ZINC000040142369 569491819 /nfs/dbraw/zinc/49/18/19/569491819.db2.gz JQDDWODBZIUYMS-HOTGVXAUSA-N 1 0 429.608 1.867 50 0 IDAARO COc1cc(NC(=O)C(=O)NCC[NH+]2CCCCC2)ccc1N1CCCCS1(=O)=O ZINC000040267135 569497357 /nfs/dbraw/zinc/49/73/57/569497357.db2.gz PNUZEHQCSPGBCO-UHFFFAOYSA-N 1 0 438.550 1.166 50 0 IDAARO CCn1cc(C(=O)NCCC(=O)NC[C@@H]2CCC[N@@H+]2CC)c(=O)c2cc3c(cc21)OCO3 ZINC000009306190 569521287 /nfs/dbraw/zinc/52/12/87/569521287.db2.gz HTDUSXVSSHKMRR-HNNXBMFYSA-N 1 0 442.516 1.471 50 0 IDAARO CC1=NN(CC[NH+]2CCCCC2)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C1 ZINC000009421556 569532796 /nfs/dbraw/zinc/53/27/96/569532796.db2.gz SJFYEIFRIITFGY-UHFFFAOYSA-N 1 0 435.532 1.627 50 0 IDAARO C[NH+](C)CCNC(=O)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1 ZINC000009828908 132241698 /nfs/dbraw/zinc/24/16/98/132241698.db2.gz FMCJYDIVLMVSMK-LJQANCHMSA-N 1 0 431.512 1.076 50 0 IDAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ncccn3)CC2)=[NH+][C@H]1c1ccc(Cl)cc1 ZINC000009420270 132316314 /nfs/dbraw/zinc/31/63/14/132316314.db2.gz VRQWTZKZHQYQGM-SJORKVTESA-N 1 0 442.907 1.658 50 0 IDAARO Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000009421493 132316405 /nfs/dbraw/zinc/31/64/05/132316405.db2.gz XRRGDQBOUGQTAH-UHFFFAOYSA-N 1 0 439.495 1.336 50 0 IDAARO CC(C)(CN1CCOCC1)C[N@@H+]1CC[C@@H](N2CCN(c3ccccc3F)CC2)[C@H](O)C1 ZINC000020454496 519232788 /nfs/dbraw/zinc/23/27/88/519232788.db2.gz FYZRPMZFJHEGDI-DHIUTWEWSA-N 1 0 434.600 1.741 50 0 IDAARO CC(C)CCNC(=O)[C@@]1(C)Cn2nc(C(=O)NCCC[NH+]3CCCC3)cc2C(=O)N1C ZINC000021875833 519659778 /nfs/dbraw/zinc/65/97/78/519659778.db2.gz QSDGOFXETJCTEM-JOCHJYFZSA-N 1 0 432.569 1.105 50 0 IDAARO CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)cc1 ZINC000021794659 519730827 /nfs/dbraw/zinc/73/08/27/519730827.db2.gz BURLSUOJPVEIQX-UHFFFAOYSA-N 1 0 444.561 1.855 50 0 IDAARO CC(=O)O[C@H]1C[C@H](O)[C@]2(C)[C@H]1[C@H](C)C[C@@H]1OC(=O)[C@@H](C[NH+]3CCCC3)[C@H]1[C@@H]2OC(C)=O ZINC000012653145 519758299 /nfs/dbraw/zinc/75/82/99/519758299.db2.gz MOYOJTXMWPQGBG-JNUAGQPNSA-N 1 0 437.533 1.530 50 0 biogenic IDAARO CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000022509246 519821267 /nfs/dbraw/zinc/82/12/67/519821267.db2.gz BCJYJZUTUBSWQN-SFHVURJKSA-N 1 0 437.591 1.837 50 0 IDAARO CCC[NH+]1CCN(C(=O)c2ccc(OC3CCN(S(=O)(=O)N(C)C)CC3)cc2)CC1 ZINC000012094544 519857050 /nfs/dbraw/zinc/85/70/50/519857050.db2.gz DFFAWTGPJOVDFU-UHFFFAOYSA-N 1 0 438.594 1.504 50 0 IDAARO CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)NCCC[NH+]1CCCCC1)C(=O)CO2 ZINC000035377122 520556025 /nfs/dbraw/zinc/55/60/25/520556025.db2.gz CMKVOVDSFAWHFG-UHFFFAOYSA-N 1 0 430.549 1.886 50 0 IDAARO CC[NH+](CC)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(=O)c1ccc(OC)cc1 ZINC000012442727 520692061 /nfs/dbraw/zinc/69/20/61/520692061.db2.gz ZHPCHALTPRHJGO-UHFFFAOYSA-N 1 0 428.493 1.069 50 0 IDAARO CCN(CC[NH+]1CCCC1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cc(OC)cc(OC)c1 ZINC000012298046 521045868 /nfs/dbraw/zinc/04/58/68/521045868.db2.gz XZBRGIRUQYHTAH-OAQYLSRUSA-N 1 0 432.565 1.339 50 0 IDAARO CCN(C[C@@H]1CCCO1)C(=O)C[C@@]1(c2ccccc2F)CC(=O)N(CC[NH+](C)C)C1=O ZINC000012098586 521219622 /nfs/dbraw/zinc/21/96/22/521219622.db2.gz LHWBNWRYPLNCIH-SBUREZEXSA-N 1 0 433.524 1.802 50 0 IDAARO CCN(C[C@@H]1CCCO1)C(=O)C[C@]1(c2ccccc2F)CC(=O)N(CC[NH+](C)C)C1=O ZINC000012098588 521222502 /nfs/dbraw/zinc/22/25/02/521222502.db2.gz LHWBNWRYPLNCIH-GAJHUEQPSA-N 1 0 433.524 1.802 50 0 IDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nn(CCOC)c2c1CN(Cc1ccncc1)CC2 ZINC000020601222 521639992 /nfs/dbraw/zinc/63/99/92/521639992.db2.gz OHZSCKLVRPQPSU-LJQANCHMSA-N 1 0 426.565 1.697 50 0 IDAARO CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[NH+]1CCCCCC1 ZINC000020581834 521662146 /nfs/dbraw/zinc/66/21/46/521662146.db2.gz DDZUVUJYSQUQCV-UHFFFAOYSA-N 1 0 441.594 1.426 50 0 biogenic IDAARO CC[NH+]1CCN(CCNC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)CC1 ZINC000033031775 521682376 /nfs/dbraw/zinc/68/23/76/521682376.db2.gz FVMOJAQDRZSKAU-UHFFFAOYSA-N 1 0 427.524 1.927 50 0 IDAARO CC[NH+]1CCN(CCNC(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)o2)CC1 ZINC000035423401 521684097 /nfs/dbraw/zinc/68/40/97/521684097.db2.gz RVDBHRNRZHNTJE-UHFFFAOYSA-N 1 0 448.527 1.658 50 0 IDAARO CCN1CCN(Cc2ccc(C(=O)N3CCC([NH+]4CCCCC4)CC3)cc2)C(=O)C1=O ZINC000035461663 521687656 /nfs/dbraw/zinc/68/76/56/521687656.db2.gz MAKIMVCLCDJIDT-UHFFFAOYSA-N 1 0 426.561 1.968 50 0 IDAARO CCN1c2ccc(Br)cc2[C@H](NC(=O)C(=O)NCC[NH+]2CCCCC2)C1=O ZINC000020622727 521730633 /nfs/dbraw/zinc/73/06/33/521730633.db2.gz NUNFOIFXPKDXKZ-INIZCTEOSA-N 1 0 437.338 1.575 50 0 IDAARO C[NH+](C)CCNC(=O)[C@@H]1CCCN(C(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)C1 ZINC000033263156 521782608 /nfs/dbraw/zinc/78/26/08/521782608.db2.gz MHBBBSZXAWRJSS-CYBMUJFWSA-N 1 0 448.524 1.460 50 0 IDAARO CNC(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cnc1N1CC[NH2+]CC1 ZINC000035513995 521784053 /nfs/dbraw/zinc/78/40/53/521784053.db2.gz KUQYSKANPWDEEI-UHFFFAOYSA-N 1 0 429.546 1.530 50 0 IDAARO C[NH+](C)CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCC1 ZINC000035398917 521789143 /nfs/dbraw/zinc/78/91/43/521789143.db2.gz DADQSULDPKPTEF-UHFFFAOYSA-N 1 0 436.578 1.208 50 0 IDAARO COC(=O)c1cc(S(=O)(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)cn1C ZINC000020582574 521909611 /nfs/dbraw/zinc/90/96/11/521909611.db2.gz BFJWWGGCJGUECF-UHFFFAOYSA-N 1 0 434.562 1.298 50 0 IDAARO COCCn1c(C)cc(O)c([C@@H](c2ccc(OC)cc2)N2CC[NH+](CCO)CC2)c1=O ZINC000022697577 522063154 /nfs/dbraw/zinc/06/31/54/522063154.db2.gz NYRLMFFNDYUZCH-JOCHJYFZSA-N 1 0 431.533 1.217 50 0 IDAARO COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022796669 522085764 /nfs/dbraw/zinc/08/57/64/522085764.db2.gz CVJKFDQWLRPVKV-NRFANRHFSA-N 1 0 438.528 1.825 50 0 IDAARO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3ccc(OC)cc3)[N@@H+](C3CCCC3)C2)nn1 ZINC000012450418 522331183 /nfs/dbraw/zinc/33/11/83/522331183.db2.gz YGYOVTHTNRZJPP-PXNSSMCTSA-N 1 0 427.505 1.948 50 0 IDAARO C[N@H+](C[C@H]1COCCO1)C1CCN(c2ccc(C(=O)NCCN3CCOCC3)cc2)CC1 ZINC000012242913 523148520 /nfs/dbraw/zinc/14/85/20/523148520.db2.gz FVABLYDUVCPVPP-QHCPKHFHSA-N 1 0 446.592 1.065 50 0 IDAARO CCn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC([NH+]4CCCCC4)CC3)C2)c1 ZINC000021927999 523564373 /nfs/dbraw/zinc/56/43/73/523564373.db2.gz UPAIWFWSNGTPIZ-GOSISDBHSA-N 1 0 437.610 1.781 50 0 IDAARO COCCN1C(=O)C[C@@](CC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)(c2ccccc2OC)C1=O ZINC000020453150 523798896 /nfs/dbraw/zinc/79/88/96/523798896.db2.gz UMDSYRMLSIBJHC-DVECYGJZSA-N 1 0 445.560 1.527 50 0 IDAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)Nc2ccccc2F)c2ccc3c(c2)OCO3)CC1 ZINC000022851259 523920068 /nfs/dbraw/zinc/92/00/68/523920068.db2.gz FXUUZZPTFYRBLG-GOSISDBHSA-N 1 0 428.464 1.598 50 0 IDAARO COc1ccc(CCNC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022796600 523954488 /nfs/dbraw/zinc/95/44/88/523954488.db2.gz UYEGMATYXMIHGY-QHCPKHFHSA-N 1 0 438.572 1.767 50 0 IDAARO COCCNS(=O)(=O)c1ccc(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)cc1 ZINC000036394182 523959424 /nfs/dbraw/zinc/95/94/24/523959424.db2.gz AYJXOALGGKBDRZ-HXUWFJFHSA-N 1 0 435.546 1.653 50 0 IDAARO COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022795778 524044903 /nfs/dbraw/zinc/04/49/03/524044903.db2.gz WUUJBSUZZFNYQT-NRFANRHFSA-N 1 0 428.508 1.555 50 0 IDAARO COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CC[NH+](C)CC2)cc1 ZINC000020614244 524460526 /nfs/dbraw/zinc/46/05/26/524460526.db2.gz YXPOEOIWDKFUHO-IBGZPJMESA-N 1 0 440.500 1.467 50 0 IDAARO C[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2C[NH2+]CCN2CCOC2=O)C[C@H](C)O1 ZINC000020777093 524885522 /nfs/dbraw/zinc/88/55/22/524885522.db2.gz CCJORHIXUZJBAH-OKILXGFUSA-N 1 0 435.912 1.779 50 0 IDAARO COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022793144 525354386 /nfs/dbraw/zinc/35/43/86/525354386.db2.gz YCQGBBAXCFYIBP-QFIPXVFZSA-N 1 0 439.560 1.805 50 0 IDAARO CSCC[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000020572459 525558663 /nfs/dbraw/zinc/55/86/63/525558663.db2.gz IVVLACIXMCNWIS-CBBYRDHQSA-N 1 0 433.505 1.478 50 0 IDAARO CSCC[C@H]([NH3+])C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)NCc2ccc(C)cc2)CC1 ZINC000012896628 525578470 /nfs/dbraw/zinc/57/84/70/525578470.db2.gz VCVPITPTMAJNHQ-LPHOPBHVSA-N 1 0 434.606 1.435 50 0 biogenic IDAARO Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[NH2+][C@@H](CCC(N)=O)[C@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21 ZINC000016020140 525589799 /nfs/dbraw/zinc/58/97/99/525589799.db2.gz KCSUZGNYMXHPDB-RPWDQDSNSA-N 1 0 444.919 1.577 50 0 IDAARO Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CC[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000020665442 525943864 /nfs/dbraw/zinc/94/38/64/525943864.db2.gz NBZILDKSSXHTRV-RMKNXTFCSA-N 1 0 447.543 1.315 50 0 IDAARO C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)[NH2+][C@@]21c2ccccc2NC1=O ZINC000020760331 526096959 /nfs/dbraw/zinc/09/69/59/526096959.db2.gz XKLVJEDXEYQMDS-GOAOGJMHSA-N 1 0 432.480 1.434 50 0 biogenic IDAARO O=C(NCC[NH+]1CCCC1)c1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)no1 ZINC000035512923 526304982 /nfs/dbraw/zinc/30/49/82/526304982.db2.gz YANIVWISTBLPOJ-UHFFFAOYSA-N 1 0 433.534 1.737 50 0 IDAARO O=C(C[NH2+]CCN1CCOCC1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000022791331 526880499 /nfs/dbraw/zinc/88/04/99/526880499.db2.gz OVFZLSJZXIINOI-UHFFFAOYSA-N 1 0 444.985 1.375 50 0 IDAARO O[C@@H](COCc1ccc2c(c1)OCO2)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022030649 527658074 /nfs/dbraw/zinc/65/80/74/527658074.db2.gz OVXQRVYYDKJFQZ-LJQANCHMSA-N 1 0 428.485 1.839 50 0 IDAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ncccn3)CC2)=[NH+][C@H]1c1ccccc1OC ZINC000008990460 535503044 /nfs/dbraw/zinc/50/30/44/535503044.db2.gz OREUEFQZCPQKON-ROUUACIJSA-N 1 0 438.488 1.014 50 0 IDAARO CCOc1cccc(N2C(=O)C[C@H](N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)C2=O)c1 ZINC000001066402 555618351 /nfs/dbraw/zinc/61/83/51/555618351.db2.gz MQUKBURVDUFVCO-IBGZPJMESA-N 1 0 428.533 1.523 50 0 IDAARO CCOc1ccc(N2C(=O)C[C@H](N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)C2=O)cc1 ZINC000001214447 555683394 /nfs/dbraw/zinc/68/33/94/555683394.db2.gz VAOSPNPJPPOLCR-IBGZPJMESA-N 1 0 428.533 1.523 50 0 IDAARO COc1ccc(Cl)c(Cn2c(NCCC[NH+](C)C)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000002331886 555769183 /nfs/dbraw/zinc/76/91/83/555769183.db2.gz IDDWWADKKFJVFN-UHFFFAOYSA-N 1 0 434.928 1.508 50 0 IDAARO CC(C)[N@H+](C)C[C@@H](O)CN1CCN(Cc2nc(C(=O)NCc3ccccc3)co2)CC1 ZINC000034677089 555795066 /nfs/dbraw/zinc/79/50/66/555795066.db2.gz BRXPJCOIOPMAEI-HXUWFJFHSA-N 1 0 429.565 1.423 50 0 IDAARO CCC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCCc3ccccc3OC)co2)CC1 ZINC000034677592 555796085 /nfs/dbraw/zinc/79/60/85/555796085.db2.gz AHYGSTBVIJIWSC-IBGZPJMESA-N 1 0 430.549 1.934 50 0 IDAARO CC[NH+]1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)CC1 ZINC000009781402 556308947 /nfs/dbraw/zinc/30/89/47/556308947.db2.gz UPERGPOUGIPIFU-UHFFFAOYSA-N 1 0 434.903 1.416 50 0 IDAARO Cc1ccc(C[NH+]2CCC(CNC(=O)Cn3ccc4c3n(C)c(=O)n(C)c4=O)CC2)cc1 ZINC000065031024 556317165 /nfs/dbraw/zinc/31/71/65/556317165.db2.gz MUMKFVVLUYLLFP-UHFFFAOYSA-N 1 0 437.544 1.376 50 0 IDAARO CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(CC[NH+]4CCOCC4)CC3)C2=O)cc1 ZINC000009933876 556317204 /nfs/dbraw/zinc/31/72/04/556317204.db2.gz CFRCRZRCYHKJSS-OAQYLSRUSA-N 1 0 443.544 1.930 50 0 IDAARO CC(C)CN1CCN(Cc2c(C(=O)N3CCC[N@H+](C)CC3)nc3sccn23)[C@@H](C)C1=O ZINC000011753932 556348763 /nfs/dbraw/zinc/34/87/63/556348763.db2.gz XWQKAJZZOZDCKJ-KRWDZBQOSA-N 1 0 446.621 1.862 50 0 IDAARO COCC(=O)N[C@@H](c1nnc2n1CC[N@@H+](Cc1cc(OC)cc(OC)c1)CC2)C(C)C ZINC000011783966 556352220 /nfs/dbraw/zinc/35/22/20/556352220.db2.gz CPMMRMYVFCAMBV-OAQYLSRUSA-N 1 0 431.537 1.813 50 0 IDAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1cc(=O)n(C)c(=O)n1C ZINC000011873080 556369520 /nfs/dbraw/zinc/36/95/20/556369520.db2.gz CKIOHWMCJQICIS-GOSISDBHSA-N 1 0 430.524 1.640 50 0 IDAARO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1 ZINC000011998519 556384970 /nfs/dbraw/zinc/38/49/70/556384970.db2.gz UKHKZNYCHLGFAH-AWEZNQCLSA-N 1 0 431.580 1.398 50 0 IDAARO NC(=O)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3ccc(O)cc3)CC2)C1=O ZINC000014532697 556421186 /nfs/dbraw/zinc/42/11/86/556421186.db2.gz XVGXMUMCUZAPMI-UHFFFAOYSA-N 1 0 436.512 1.719 50 0 IDAARO COCCN1C(=O)N(CC(=O)OC)C(=O)C12CC[NH+](Cc1cn(C)c3ccccc13)CC2 ZINC000014543800 556426719 /nfs/dbraw/zinc/42/67/19/556426719.db2.gz HQRWAXQHUMFPGN-UHFFFAOYSA-N 1 0 442.516 1.597 50 0 IDAARO COCCN1C(=O)N(CC(=O)OC)C(=O)C12CC[NH+](Cc1ccc3ncccc3c1)CC2 ZINC000014753612 556444415 /nfs/dbraw/zinc/44/44/15/556444415.db2.gz MXTHJFYKPGYFRT-UHFFFAOYSA-N 1 0 440.500 1.653 50 0 IDAARO COc1cc(OC)cc(C(=O)N[C@H](C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C(C)C)c1 ZINC000072272929 556445916 /nfs/dbraw/zinc/44/59/16/556445916.db2.gz XQWKUYPBRVWAEF-UTKZUKDTSA-N 1 0 434.581 1.458 50 0 IDAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000032863572 556448653 /nfs/dbraw/zinc/44/86/53/556448653.db2.gz LXFAXVNHTOJHOG-GOSISDBHSA-N 1 0 442.557 1.198 50 0 IDAARO CCC[NH+]1CCN(C(=O)C2CCN(c3cccc4c3C(=O)N(CCOC)C4=O)CC2)CC1 ZINC000014886379 556455582 /nfs/dbraw/zinc/45/55/82/556455582.db2.gz CNFCIPQUYBOPFT-UHFFFAOYSA-N 1 0 442.560 1.700 50 0 IDAARO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000014915488 556458460 /nfs/dbraw/zinc/45/84/60/556458460.db2.gz JVCFOTLYRLWUKM-ZWKOTPCHSA-N 1 0 437.562 1.183 50 0 IDAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCC3(O)CCCCC3)c(=O)[nH]2)C1 ZINC000014960509 556463864 /nfs/dbraw/zinc/46/38/64/556463864.db2.gz YVEMNAFCIVGPKJ-GOSISDBHSA-N 1 0 446.592 1.880 50 0 IDAARO O=C(CCCn1nnnc1CN1CCOCC1)NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000014969212 556466502 /nfs/dbraw/zinc/46/65/02/556466502.db2.gz QNAHYDPNPSLUNX-FQEVSTJZSA-N 1 0 445.543 1.378 50 0 IDAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1 ZINC000013118031 556471107 /nfs/dbraw/zinc/47/11/07/556471107.db2.gz DIVFGELCRRIUFC-HNNXBMFYSA-N 1 0 431.566 1.935 50 0 IDAARO CC[NH+]1CCN(CCNC(=O)C2CCN(c3nnc(N4CCCCC4=O)s3)CC2)CC1 ZINC000022937826 556506760 /nfs/dbraw/zinc/50/67/60/556506760.db2.gz NGNDORYJVMMHFX-UHFFFAOYSA-N 1 0 449.625 1.025 50 0 IDAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CCNC(=O)Cn2cnc3ccccc3c2=O)C1 ZINC000004562803 556521049 /nfs/dbraw/zinc/52/10/49/556521049.db2.gz FMXHWFGARBDNKJ-ROUUACIJSA-N 1 0 427.549 1.387 50 0 IDAARO C[C@@H]1C[NH+](CCCNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)C[C@@H](C)O1 ZINC000032899245 556524578 /nfs/dbraw/zinc/52/45/78/556524578.db2.gz IVDMUIJNAONTRO-IAGOWNOFSA-N 1 0 435.546 1.987 50 0 IDAARO CCn1cc(C(=O)N[C@@H](C)C(=O)NC[C@H]2CCC[N@@H+]2CC)c(=O)c2cc3c(cc21)OCO3 ZINC000013624953 556536720 /nfs/dbraw/zinc/53/67/20/556536720.db2.gz JBGHLRFROAFSFN-LSDHHAIUSA-N 1 0 442.516 1.469 50 0 IDAARO COc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)[nH+]3)CC2)c(OC)c1 ZINC000033326811 556561559 /nfs/dbraw/zinc/56/15/59/556561559.db2.gz LQZUWCNALWEYFQ-UHFFFAOYSA-N 1 0 442.520 1.993 50 0 IDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@@]21c2cc(C)cc(C)c2NC1=O ZINC000016022149 556575473 /nfs/dbraw/zinc/57/54/73/556575473.db2.gz OTEVWJFZAPLMQH-PUFAWVJESA-N 1 0 433.508 1.913 50 0 IDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000016024517 556576000 /nfs/dbraw/zinc/57/60/00/556576000.db2.gz OIKKBCRHDHEIBE-YWNPBTLJSA-N 1 0 439.899 1.950 50 0 IDAARO CN(C)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2CN2CC[NH+](C)CC2)c1 ZINC000032915602 556612740 /nfs/dbraw/zinc/61/27/40/556612740.db2.gz JSFDGKGBOKZJGL-UHFFFAOYSA-N 1 0 430.574 1.614 50 0 IDAARO COc1ccccc1CCN1C(=O)N[C@H](CC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1=O ZINC000409413935 556641362 /nfs/dbraw/zinc/64/13/62/556641362.db2.gz WKQNWKGTQRCXER-XUVXKRRUSA-N 1 0 442.560 1.929 50 0 IDAARO Cn1c(=O)c(N2CCC[C@H](C(=O)NCCC[NH+]3CCCCCC3)C2)nc2cccnc21 ZINC000033006409 556655559 /nfs/dbraw/zinc/65/55/59/556655559.db2.gz LGIFLUZYQIJEQZ-SFHVURJKSA-N 1 0 426.565 1.927 50 0 IDAARO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000032929498 556671959 /nfs/dbraw/zinc/67/19/59/556671959.db2.gz NNCAFBXRGUYFBC-CALCHBBNSA-N 1 0 431.624 1.973 50 0 IDAARO O=S(=O)(NC[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc(Cl)sc1Cl ZINC000032929520 556672057 /nfs/dbraw/zinc/67/20/57/556672057.db2.gz JZACLIPDKLHEPZ-LBPRGKRZSA-N 1 0 428.407 1.987 50 0 IDAARO Cc1ccc(C(=O)N(CC[N@H+]2CCCC[C@H]2C)CCS(=O)(=O)N2CCNCC2)cc1 ZINC000046141049 556692055 /nfs/dbraw/zinc/69/20/55/556692055.db2.gz IUOFWEWLOKPJKJ-HXUWFJFHSA-N 1 0 436.622 1.547 50 0 IDAARO O=C(c1cccc(Cl)c1)N(CC[NH+]1CCCCC1)CCS(=O)(=O)N1CCNCC1 ZINC000046141073 556692456 /nfs/dbraw/zinc/69/24/56/556692456.db2.gz NHKLEOODFNPSLD-UHFFFAOYSA-N 1 0 443.013 1.503 50 0 IDAARO COc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)cc1S(=O)(=O)N1CCCCC1 ZINC000252669609 556693904 /nfs/dbraw/zinc/69/39/04/556693904.db2.gz IBTNRIZEGJDDLD-IAGOWNOFSA-N 1 0 425.551 1.654 50 0 IDAARO C[C@@H](NC(=O)c1ccc(Br)o1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000013550857 556696936 /nfs/dbraw/zinc/69/69/36/556696936.db2.gz DADMNSICFCRIQG-LLVKDONJSA-N 1 0 436.310 1.547 50 0 IDAARO CC[NH+]1CCN(CCCNC(=O)c2cccc(NC(=O)c3nnc(COC)s3)c2)CC1 ZINC000033027594 556707123 /nfs/dbraw/zinc/70/71/23/556707123.db2.gz FKUMFCSLIQEZQK-UHFFFAOYSA-N 1 0 446.577 1.694 50 0 IDAARO CC(C)C[NH+]1CCN(C(=O)Cn2c(=O)nc3n2C(=O)N(c2ccc(Cl)cc2)C3)CC1 ZINC000061718507 556724974 /nfs/dbraw/zinc/72/49/74/556724974.db2.gz QVPRKDIXWKQGLU-UHFFFAOYSA-N 1 0 432.912 1.487 50 0 IDAARO COc1ccccc1N(C[C@@H](O)CN1CCC[N@H+](C)CC1)S(=O)(=O)c1ccccc1 ZINC000061721848 556730058 /nfs/dbraw/zinc/73/00/58/556730058.db2.gz UNOYEAQQXDYAGQ-IBGZPJMESA-N 1 0 433.574 1.889 50 0 IDAARO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000058055691 556755565 /nfs/dbraw/zinc/75/55/65/556755565.db2.gz JIODJSMTHTYTTH-NHCUHLMSSA-N 1 0 432.590 1.850 50 0 IDAARO COc1cc(OC)cc(C(=O)N2CCN(c3cc(C)[nH+]c(N4CCOCC4)n3)CC2)c1 ZINC000067604903 556844089 /nfs/dbraw/zinc/84/40/89/556844089.db2.gz CWWIFGXRNWHFIW-UHFFFAOYSA-N 1 0 427.505 1.601 50 0 IDAARO C[NH+]1CCN(CCNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)CC1 ZINC000033131377 556871886 /nfs/dbraw/zinc/87/18/86/556871886.db2.gz 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COc1ccc(C[N@H+]2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)c(OC)c1C ZINC000023337302 557084740 /nfs/dbraw/zinc/08/47/40/557084740.db2.gz XTTZXBNUSJTRSC-UHFFFAOYSA-N 1 0 436.516 1.987 50 0 IDAARO CC[NH+]1CCN([C@H](CNC(=O)C(=O)NCCc2ccc(OC)cc2)c2cccnc2)CC1 ZINC000023203172 557087860 /nfs/dbraw/zinc/08/78/60/557087860.db2.gz SWKIEDUNDYSRCK-JOCHJYFZSA-N 1 0 439.560 1.244 50 0 IDAARO CC[C@H](CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)[NH+]1CCCC1 ZINC000024799827 557144874 /nfs/dbraw/zinc/14/48/74/557144874.db2.gz FUVONXKIEUZFPN-MRXNPFEDSA-N 1 0 435.594 1.747 50 0 IDAARO COC(=O)C[C@]12C(=O)NCC[N@H+]1[C@H](c1ccccc1)[C@@H]1C(=O)N(c3ccccc3C)C(=O)[C@H]12 ZINC000095115749 557156472 /nfs/dbraw/zinc/15/64/72/557156472.db2.gz XNXNWJFYULHZJU-QDMVCWPOSA-N 1 0 447.491 1.589 50 0 IDAARO Cc1ccc(S(=O)(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)OCCOc2ccccc2)cc1 ZINC000095918107 557161559 /nfs/dbraw/zinc/16/15/59/557161559.db2.gz PCMQHERBTFYJAX-IBGZPJMESA-N 1 0 448.545 1.527 50 0 IDAARO CC(C)CC(=O)N1CCC2(CC1)OC[C@@H](C(=O)NCC[NH+](C)C)N2C(=O)c1ccco1 ZINC000096210101 557182928 /nfs/dbraw/zinc/18/29/28/557182928.db2.gz HASFPKWQBFWJJD-KRWDZBQOSA-N 1 0 434.537 1.163 50 0 IDAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)N(CC)C(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000096210257 557182979 /nfs/dbraw/zinc/18/29/79/557182979.db2.gz QMMWLXNEEDBSMG-HXUWFJFHSA-N 1 0 446.548 1.855 50 0 IDAARO COc1cc2c(cc1OC)CN(C(=O)C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1)CC2 ZINC000027780210 557273734 /nfs/dbraw/zinc/27/37/34/557273734.db2.gz JSDOXCMEQLIMRF-UHFFFAOYSA-N 1 0 443.466 1.979 50 0 IDAARO CC[NH+]1CCN(Cc2cc(=O)n3nc(NCc4ccc(OC)c(OC)c4)[nH]c3n2)CC1 ZINC000101796700 557298690 /nfs/dbraw/zinc/29/86/90/557298690.db2.gz LGBYKLBGFPHEHD-UHFFFAOYSA-N 1 0 427.509 1.184 50 0 IDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1nn(CCOC)c2c1CN(Cc1nccs1)CC2 ZINC000014535395 557339932 /nfs/dbraw/zinc/33/99/32/557339932.db2.gz YQQFDGLOMILHOJ-INIZCTEOSA-N 1 0 432.594 1.758 50 0 IDAARO C[C@H]1C[NH+](CCCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C[C@H](C)O1 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Cc1cc(C)c(S(=O)(=O)N(CCN2CCCCC2)CC(=O)N2CC[NH2+]CC2)cc1C ZINC000045974790 557556670 /nfs/dbraw/zinc/55/66/70/557556670.db2.gz WOWANENHARXNEY-UHFFFAOYSA-N 1 0 436.622 1.520 50 0 IDAARO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)CC1 ZINC000225459244 557725202 /nfs/dbraw/zinc/72/52/02/557725202.db2.gz JTTBRRGIJWAMCM-YFVAEKQCSA-N 1 0 432.613 1.498 50 0 IDAARO CCOC(=O)N1CCN(C(=O)C[NH2+][C@@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC000239667189 557845109 /nfs/dbraw/zinc/84/51/09/557845109.db2.gz BPGQECNLLJJHQE-SOLBZPMBSA-N 1 0 426.558 1.911 50 0 IDAARO COc1cc2[nH]c(=O)n(CCC(=O)N3CCC([NH+]4CCCCC4)CC3)c(=O)c2cc1OC ZINC000002461744 562928084 /nfs/dbraw/zinc/92/80/84/562928084.db2.gz JDYLCZSLBPZEJU-UHFFFAOYSA-N 1 0 444.532 1.574 50 0 IDAARO O=S(=O)(c1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1)N1CCOCC1 ZINC000003211799 562932782 /nfs/dbraw/zinc/93/27/82/562932782.db2.gz HOOCPWROUKOPRU-FQEVSTJZSA-N 1 0 432.542 1.506 50 0 IDAARO [NH3+]CCCNC(=O)Cn1c(=O)c2c3c(sc2n(Cc2ccccc2)c1=O)CCCC3 ZINC000009435926 562971084 /nfs/dbraw/zinc/97/10/84/562971084.db2.gz RLBGSWCGPRDCOE-UHFFFAOYSA-N 1 0 426.542 1.617 50 0 IDAARO C[NH+](C)CCCNC(=O)C(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1 ZINC000009741434 562976359 /nfs/dbraw/zinc/97/63/59/562976359.db2.gz GBAQOLMVPSRFFM-QGZVFWFLSA-N 1 0 441.550 1.586 50 0 IDAARO CCC[NH+]1CCN(CCCNC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)CC1 ZINC000020104796 563023580 /nfs/dbraw/zinc/02/35/80/563023580.db2.gz IKYCSVZDDQVCRP-UHFFFAOYSA-N 1 0 441.576 1.042 50 0 IDAARO COC(=O)C[C@]12C(=O)NCC[N@H+]1[C@H](c1ccccc1)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 ZINC000248104303 568633884 /nfs/dbraw/zinc/63/38/84/568633884.db2.gz KSQBJQBUSNNORM-YCFYUYSTSA-N 1 0 447.491 1.589 50 0 IDAARO O=C(CC[N@@H+]1CC[C@@H](OCCN2CCOCC2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000084405211 568797693 /nfs/dbraw/zinc/79/76/93/568797693.db2.gz MFZUDWACRXNDDO-JOCHJYFZSA-N 1 0 434.556 1.288 50 0 IDAARO CC(C)CCNC(=O)[C@]1(C)Cn2nc(C(=O)NCC[NH+]3CCCCCC3)cc2C(=O)N1C ZINC000015723767 568812311 /nfs/dbraw/zinc/81/23/11/568812311.db2.gz YMVVIOXKUUXQMB-QHCPKHFHSA-N 1 0 446.596 1.496 50 0 IDAARO COc1ccc(-c2cc3c(=O)n(CC(=O)NCC[N@@H+]4CCCC[C@H]4C)nc(C)n3n2)cc1 ZINC000015772694 568822797 /nfs/dbraw/zinc/82/27/97/568822797.db2.gz ZBKNBTZTHYUNGA-MRXNPFEDSA-N 1 0 438.532 1.866 50 0 IDAARO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccccc2OC)cc1 ZINC000015864167 568849554 /nfs/dbraw/zinc/84/95/54/568849554.db2.gz QPJJPLGMEHMCKG-UHFFFAOYSA-N 1 0 433.530 1.327 50 0 IDAARO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccccc2)cc1OC ZINC000015864180 568849567 /nfs/dbraw/zinc/84/95/67/568849567.db2.gz MIISQFYJLZSWHE-UHFFFAOYSA-N 1 0 433.530 1.327 50 0 IDAARO CCOc1cccc(CN(CC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000015864309 568849662 /nfs/dbraw/zinc/84/96/62/568849662.db2.gz FJAYTEJLZDDHPW-UHFFFAOYSA-N 1 0 447.557 1.717 50 0 IDAARO 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O=C(NCC[NH+]1CCCCC1)c1cnc(N2CCN(c3ccccc3Cl)CC2)[nH]c1=O ZINC000036314090 568998905 /nfs/dbraw/zinc/99/89/05/568998905.db2.gz UUOSRBJTUNKTFI-UHFFFAOYSA-N 1 0 444.967 1.966 50 0 IDAARO Cn1c(Cn2ccc(=[NH2+])cc2)c(C(=O)c2ccccc2Br)c(=O)n(C)c1=O ZINC000036357627 569085173 /nfs/dbraw/zinc/08/51/73/569085173.db2.gz RXXJLDJWNKKEMY-UHFFFAOYSA-N 1 0 429.274 1.407 50 0 IDAARO COCCCNC(=O)c1cc(NS(=O)(=O)c2ccccc2)cnc1N1CC[NH2+]CC1 ZINC000065025143 569090392 /nfs/dbraw/zinc/09/03/92/569090392.db2.gz WTEJLOMSAYQVED-UHFFFAOYSA-N 1 0 433.534 1.058 50 0 IDAARO CCCCNC(=O)c1cc(NS(=O)(=O)c2ccc(OC)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025135 569090437 /nfs/dbraw/zinc/09/04/37/569090437.db2.gz YZMCWLUNJUGERD-UHFFFAOYSA-N 1 0 447.561 1.831 50 0 IDAARO CCN(CC)C(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025117 569090469 /nfs/dbraw/zinc/09/04/69/569090469.db2.gz QYYMWFIKLPZANT-UHFFFAOYSA-N 1 0 435.525 1.913 50 0 IDAARO COCCCNC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025177 569090510 /nfs/dbraw/zinc/09/05/10/569090510.db2.gz GQXQHIUXHTWYDL-UHFFFAOYSA-N 1 0 447.561 1.367 50 0 IDAARO CNC(=O)c1cc(NS(=O)(=O)c2ccc(CC(C)C)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025271 569090534 /nfs/dbraw/zinc/09/05/34/569090534.db2.gz WSZAOJKDLZRZKG-UHFFFAOYSA-N 1 0 431.562 1.850 50 0 IDAARO CCCc1ccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)N(C)C)c2)cc1 ZINC000065025297 569090634 /nfs/dbraw/zinc/09/06/34/569090634.db2.gz MTQYYJUCKIVEKS-UHFFFAOYSA-N 1 0 431.562 1.946 50 0 IDAARO Cc1noc(C)c1S(=O)(=O)N1CCC([C@@H](C)C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000065061516 569096784 /nfs/dbraw/zinc/09/67/84/569096784.db2.gz GZZLILKGTYBVTO-OAHLLOKOSA-N 1 0 426.583 1.930 50 0 IDAARO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1nnc(-c2ccc(S(=O)(=O)N(C)C)cc2)o1 ZINC000065114010 569108543 /nfs/dbraw/zinc/10/85/43/569108543.db2.gz RWRLNIPGDSXICL-MRXNPFEDSA-N 1 0 435.550 1.981 50 0 IDAARO O=C(c1ccnc(N2CC[NH2+][C@H](c3ccccc3)C2)c1)N1CCN(c2ncccn2)CC1 ZINC000065255887 569123080 /nfs/dbraw/zinc/12/30/80/569123080.db2.gz LABFTYLIIYEMGO-NRFANRHFSA-N 1 0 429.528 1.985 50 0 IDAARO CC(C)C(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NC2CC[NH+](C)CC2)CC3)CC1 ZINC000065273790 569128303 /nfs/dbraw/zinc/12/83/03/569128303.db2.gz FGYNVPXBNNYRJC-MRXNPFEDSA-N 1 0 433.622 1.763 50 0 IDAARO CC(C)(C)OC(=O)NCCNC(=O)CC[N@@H+]1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 ZINC000170599945 569142653 /nfs/dbraw/zinc/14/26/53/569142653.db2.gz XLSBOMIFFKKLSU-WOJBJXKFSA-N 1 0 432.565 1.603 50 0 IDAARO CC(C)(C)OC(=O)NCCNC(=O)CC[N@@H+]1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC000252516864 569189208 /nfs/dbraw/zinc/18/92/08/569189208.db2.gz XLSBOMIFFKKLSU-PMACEKPBSA-N 1 0 432.565 1.603 50 0 IDAARO COc1cccc(CC(=O)N2CCC3(CC2)C[C@@H]([NH+]2CCN(C(C)=O)CC2)CCO3)c1 ZINC000581820218 569211714 /nfs/dbraw/zinc/21/17/14/569211714.db2.gz YPAWASXSRFSSBU-NRFANRHFSA-N 1 0 429.561 1.942 50 0 IDAARO C[C@@H](NC(=O)[C@H](C)[NH3+])C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000100656068 569258557 /nfs/dbraw/zinc/25/85/57/569258557.db2.gz RMYMOVDNWWDGFU-PMUMKWKESA-N 1 0 427.461 1.113 50 0 IDAARO C[C@@H](NC(=O)CN(C)C(=O)c1ccc(Br)o1)C(=O)NCC[NH+]1CCCCC1 ZINC000253419008 569266637 /nfs/dbraw/zinc/26/66/37/569266637.db2.gz LRJSFZIYDFAFDU-CYBMUJFWSA-N 1 0 443.342 1.221 50 0 IDAARO C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCC(OCCC[NH+](C)C)CC1 ZINC000079014252 569321953 /nfs/dbraw/zinc/32/19/53/569321953.db2.gz BEIYHBMBGCMFHC-CQSZACIVSA-N 1 0 444.498 1.980 50 0 IDAARO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[NH2+][C@](C)(CC)CC(=O)OC ZINC000079075176 569324763 /nfs/dbraw/zinc/32/47/63/569324763.db2.gz WCGMWYWQCGTKAS-LJQANCHMSA-N 1 0 427.523 1.853 50 0 IDAARO COc1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCO3)N2CC[NH+](C)CC2)cc1 ZINC000019819928 569329925 /nfs/dbraw/zinc/32/99/25/569329925.db2.gz VXBIMXBUQUUHHQ-LJQANCHMSA-N 1 0 433.530 1.691 50 0 IDAARO COc1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)N2CC[NH+](C)CC2)cc1 ZINC000019819988 569330075 /nfs/dbraw/zinc/33/00/75/569330075.db2.gz ZCWKUDSWFLMWOZ-HXUWFJFHSA-N 1 0 447.557 1.733 50 0 IDAARO O=C(CN1C(=O)CSc2ncccc21)NCCCN1CC[NH+](C2CCCCC2)CC1 ZINC000020415180 569364475 /nfs/dbraw/zinc/36/44/75/569364475.db2.gz HNVOGJZGYPNFSX-UHFFFAOYSA-N 1 0 431.606 1.977 50 0 IDAARO COc1ccc(N2C[C@H](C(=O)N3CCC([N@H+](C)CC(=O)NC(C)C)CC3)CC2=O)cc1 ZINC000095432321 569366235 /nfs/dbraw/zinc/36/62/35/569366235.db2.gz UYKAUCDJUCDFAL-QGZVFWFLSA-N 1 0 430.549 1.496 50 0 IDAARO C[NH+]1CCC2(CCCN2C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)CC1 ZINC000095454229 569368371 /nfs/dbraw/zinc/36/83/71/569368371.db2.gz MSSNZGOVVKANEA-UHFFFAOYSA-N 1 0 425.526 1.547 50 0 IDAARO C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000095459754 569369465 /nfs/dbraw/zinc/36/94/65/569369465.db2.gz XDXOJUVIELCBEH-OAHLLOKOSA-N 1 0 426.355 1.935 50 0 IDAARO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C2CC2)CC1 ZINC000095993675 569378478 /nfs/dbraw/zinc/37/84/78/569378478.db2.gz DLADIQLVBAGXPU-BXKMTCNYSA-N 1 0 439.560 1.270 50 0 IDAARO COc1ccc([C@H](CNC(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)[NH+](C)C)cc1 ZINC000095996385 569378837 /nfs/dbraw/zinc/37/88/37/569378837.db2.gz HMFVWVVXOFSTFP-NRFANRHFSA-N 1 0 440.548 1.902 50 0 IDAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(C)C(=O)N[C@@H]1c1cc(OC)ccc1OC ZINC000096210259 569386474 /nfs/dbraw/zinc/38/64/74/569386474.db2.gz COGOVNBTUCJYMV-OAQYLSRUSA-N 1 0 446.548 1.855 50 0 IDAARO C[NH+](C)CCNC(=O)c1coc(CN(CCN2CCOCC2)Cc2ccccc2Cl)n1 ZINC000096280103 569389526 /nfs/dbraw/zinc/38/95/26/569389526.db2.gz WAUYTHXYGOPWMN-UHFFFAOYSA-N 1 0 449.983 1.954 50 0 IDAARO O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000097012008 569402856 /nfs/dbraw/zinc/40/28/56/569402856.db2.gz ZAZXVYKGJOKJDT-RZUBCFFCSA-N 1 0 446.617 1.985 50 0 IDAARO CCOCCn1c(N2CC[NH+](Cc3ccccc3C)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000056952903 569428687 /nfs/dbraw/zinc/42/86/87/569428687.db2.gz KTLQPLODLJVPOU-UHFFFAOYSA-N 1 0 426.521 1.090 50 0 IDAARO O=C(Cn1ccc(=O)c2ccccc21)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000670448009 569455449 /nfs/dbraw/zinc/45/54/49/569455449.db2.gz ZSABSQOYYRRISY-MMTWIKPJSA-N 1 0 428.536 1.685 50 0 IDAARO COc1ccc(CNC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC2)cc1 ZINC000004082293 569458680 /nfs/dbraw/zinc/45/86/80/569458680.db2.gz PSASLMAQFDNENA-JXFKEZNVSA-N 1 0 432.565 1.428 50 0 biogenic IDAARO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1ccc(Cn2cnnn2)cc1 ZINC000670458571 569459880 /nfs/dbraw/zinc/45/98/80/569459880.db2.gz LVRUVMFYHREGQI-HMXGKDEJSA-N 1 0 429.528 1.019 50 0 IDAARO CCCCC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(F)cc2)CC1 ZINC000004316527 569462008 /nfs/dbraw/zinc/46/20/08/569462008.db2.gz XIRIMGHGVPSFRU-UHFFFAOYSA-N 1 0 428.512 1.923 50 0 IDAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)NC(=O)N[C@H]1c1ccc(OCC)c(OC)c1 ZINC000067286747 569467121 /nfs/dbraw/zinc/46/71/21/569467121.db2.gz DJBIVQZUNNYEHG-FQEVSTJZSA-N 1 0 432.521 1.512 50 0 IDAARO NC(=O)C1([NH+]2CCCCC2)CCN(c2ncc(C(=O)NCc3ccccc3)c(N)n2)CC1 ZINC000067336440 569468931 /nfs/dbraw/zinc/46/89/31/569468931.db2.gz FELPDQRFEKXZFO-UHFFFAOYSA-N 1 0 437.548 1.299 50 0 IDAARO Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)=NN3CC[NH+]2CCCCC2)n(C)c1=O ZINC000008706202 569470466 /nfs/dbraw/zinc/47/04/66/569470466.db2.gz YKAGEGKTTGJFMZ-UHFFFAOYSA-N 1 0 449.559 1.935 50 0 IDAARO NC(=O)c1nn(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)c(=O)c2ccccc21 ZINC000008898879 569484015 /nfs/dbraw/zinc/48/40/15/569484015.db2.gz MKEYMGZKCUVNDX-UHFFFAOYSA-N 1 0 433.512 1.798 50 0 IDAARO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(CCNS(=O)(=O)c2cccc3ccccc32)CC1 ZINC000244969070 569496659 /nfs/dbraw/zinc/49/66/59/569496659.db2.gz GXBVOTCZMOWQGB-FQEVSTJZSA-N 1 0 449.617 1.912 50 0 IDAARO CC[NH+]1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cc(OC)ccc2Cl)CC1 ZINC000009184745 569510010 /nfs/dbraw/zinc/51/00/10/569510010.db2.gz IXWYCZDCKBWMLR-UHFFFAOYSA-N 1 0 446.939 1.286 50 0 IDAARO O=C(NCC[NH+]1CCCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000009216881 569512179 /nfs/dbraw/zinc/51/21/79/569512179.db2.gz DLSJIMMTGFLJGT-UHFFFAOYSA-N 1 0 437.562 1.461 50 0 IDAARO O=C(CCNC(=O)c1ccc(Br)o1)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000009410843 569531494 /nfs/dbraw/zinc/53/14/94/569531494.db2.gz CAEMFWVNYQGWOX-UHFFFAOYSA-N 1 0 436.310 1.549 50 0 IDAARO Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)NCC[NH+](C)C)c1 ZINC000009748970 569565960 /nfs/dbraw/zinc/56/59/60/569565960.db2.gz ROEWBANWDGIKAO-GOSISDBHSA-N 1 0 438.594 1.031 50 0 IDAARO CC[NH+](CC)CCn1c(C)cn2c3c(nc21)n(C)c(=O)n(Cc1ccccc1F)c3=O ZINC000010233409 569579566 /nfs/dbraw/zinc/57/95/66/569579566.db2.gz XCGVYGMBQUBNSG-UHFFFAOYSA-N 1 0 426.496 1.987 50 0 IDAARO O=C(CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000045974366 569586972 /nfs/dbraw/zinc/58/69/72/569586972.db2.gz NXOXXNWFUMRALY-HNNXBMFYSA-N 1 0 446.367 1.051 50 0 IDAARO Cc1c(C)n2c(nc3c2c(=O)[nH]c(=O)n3C)n1CC[NH+]1CCN(c2ccccc2F)CC1 ZINC000010233904 132244183 /nfs/dbraw/zinc/24/41/83/132244183.db2.gz NQKDURIRZBVTOP-UHFFFAOYSA-N 1 0 439.495 1.254 50 0 IDAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ncccn3)CC2)=[NH+][C@H]1c1ccc(F)cc1 ZINC000009477232 132318906 /nfs/dbraw/zinc/31/89/06/132318906.db2.gz FABFWRPBJOPIJF-SJORKVTESA-N 1 0 426.452 1.144 50 0 IDAARO CC(=O)N1CCN(Cc2ccc3c(c2)CN(C(=O)[C@H]2CCCCC[N@H+]2C)CCO3)CC1 ZINC000012131399 519586374 /nfs/dbraw/zinc/58/63/74/519586374.db2.gz URUGAWOKNYAXSX-JOCHJYFZSA-N 1 0 428.577 1.946 50 0 IDAARO CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)NCC[NH+](CC)CC)N2C(C)=O ZINC000015775958 520680154 /nfs/dbraw/zinc/68/01/54/520680154.db2.gz BUQWVXWJNNVKSR-FQEVSTJZSA-N 1 0 438.594 1.453 50 0 IDAARO CCN(C[C@H]1CCCO1)C(=O)C[C@@]1(c2ccccc2F)CC(=O)N(CC[NH+](C)C)C1=O ZINC000012098587 521263386 /nfs/dbraw/zinc/26/33/86/521263386.db2.gz LHWBNWRYPLNCIH-HXOBKFHXSA-N 1 0 433.524 1.802 50 0 IDAARO CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000021887786 521663200 /nfs/dbraw/zinc/66/32/00/521663200.db2.gz RGSFINLQHVJJDU-MRXNPFEDSA-N 1 0 441.594 1.282 50 0 biogenic IDAARO CC[NH+]1CCN(CCCNC(=O)C[C@@H](C(=O)N2CCc3ccccc32)n2ccnc2)CC1 ZINC000020682814 521679469 /nfs/dbraw/zinc/67/94/69/521679469.db2.gz FXDQPFGHMHSQRA-QFIPXVFZSA-N 1 0 438.576 1.547 50 0 IDAARO CC[NH+]1CCN(CCCNC(=O)CCCn2c3ccccc3c3cnn(C)c(=O)c32)CC1 ZINC000035372387 521679900 /nfs/dbraw/zinc/67/99/00/521679900.db2.gz BDNYMMBIIULKOM-UHFFFAOYSA-N 1 0 438.576 1.812 50 0 IDAARO CC[NH+]1CCN(CCCNC(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)CC1 ZINC000020488567 521682290 /nfs/dbraw/zinc/68/22/90/521682290.db2.gz XTRGOTPOEHWCSC-UHFFFAOYSA-N 1 0 431.562 1.132 50 0 IDAARO C[NH+](C)CCNC(=O)CN1c2cc(C(=O)N3CCCCC3)ccc2N2CCCC[C@H]2C1=O ZINC000035446031 521779252 /nfs/dbraw/zinc/77/92/52/521779252.db2.gz KGGQHWACINGXFD-FQEVSTJZSA-N 1 0 441.576 1.696 50 0 IDAARO CC[C@@H](C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)N1c2cc(C)nn2CCC1=O ZINC000035374430 521841751 /nfs/dbraw/zinc/84/17/51/521841751.db2.gz ZIMVNOHYCLXDDG-NRFANRHFSA-N 1 0 438.576 1.641 50 0 IDAARO CN(C)S(=O)(=O)c1ccc(-c2nnc(C(=O)NCC[N@H+](C)C3CCCCC3)o2)cc1 ZINC000035527887 521975103 /nfs/dbraw/zinc/97/51/03/521975103.db2.gz UJVSSPPKTOPQMI-UHFFFAOYSA-N 1 0 435.550 1.981 50 0 IDAARO COc1cc(CN2CCNC(=O)[C@@H]2CC(=O)N2CC[NH+](C3CCCC3)CC2)cc(OC)c1 ZINC000012595086 522387212 /nfs/dbraw/zinc/38/72/12/522387212.db2.gz HZEUHYJJSADFGJ-QFIPXVFZSA-N 1 0 444.576 1.481 50 0 IDAARO COc1cc(C[NH2+]CCCn2nc(C)cc2C)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000012748653 522449823 /nfs/dbraw/zinc/44/98/23/522449823.db2.gz UZNBZBFTDOKQGL-NRFANRHFSA-N 1 0 432.565 1.760 50 0 IDAARO CN(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C1CC[NH+](C)CC1 ZINC000012591204 522500754 /nfs/dbraw/zinc/50/07/54/522500754.db2.gz FOKLCHIEIHOFPK-UHFFFAOYSA-N 1 0 444.985 1.325 50 0 IDAARO COC[C@H]1CCCN(C(=O)C[C@@]2(c3ccccc3F)CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000012166510 522824279 /nfs/dbraw/zinc/82/42/79/522824279.db2.gz WIMWKHGBFMDMTC-SBUREZEXSA-N 1 0 433.524 1.659 50 0 IDAARO COC(=O)C1CC[NH+](C[C@H](O)COc2ccc(CN(C)Cc3nonc3C)cc2)CC1 ZINC000012713156 522914697 /nfs/dbraw/zinc/91/46/97/522914697.db2.gz RAFUUWCFCHZFPP-IBGZPJMESA-N 1 0 432.521 1.635 50 0 IDAARO CC[C@H]1CN(C(=O)N2CCC(C(=O)NCCN3CC[NH+](C)CC3)CC2)c2ccccc2O1 ZINC000020902412 523228200 /nfs/dbraw/zinc/22/82/00/523228200.db2.gz HBYAQLUCNQRFAU-FQEVSTJZSA-N 1 0 443.592 1.860 50 0 IDAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000020566863 523292925 /nfs/dbraw/zinc/29/29/25/523292925.db2.gz NKZXHBWKHXAHSY-MTXNFPGFSA-N 1 0 435.480 1.392 50 0 IDAARO CN1C(=O)c2cc(C(=O)NCCC[NH+]3CCCC3)nn2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021875008 523728145 /nfs/dbraw/zinc/72/81/45/523728145.db2.gz MONGBZHMINDJPS-HSZRJFAPSA-N 1 0 444.580 1.392 50 0 IDAARO CN1C(=O)c2cc(C(=O)NCC[NH+]3CCCC3)nn2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021875015 523729390 /nfs/dbraw/zinc/72/93/90/523729390.db2.gz QVJGCGXAVJEEDN-JOCHJYFZSA-N 1 0 430.553 1.002 50 0 IDAARO CC[C@H](C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)N1c2cc(C)nn2CCC1=O ZINC000035374432 523775001 /nfs/dbraw/zinc/77/50/01/523775001.db2.gz ZIMVNOHYCLXDDG-OAQYLSRUSA-N 1 0 438.576 1.641 50 0 IDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000020566223 523807636 /nfs/dbraw/zinc/80/76/36/523807636.db2.gz OIKKBCRHDHEIBE-QPXQOZNCSA-N 1 0 439.899 1.950 50 0 IDAARO COc1ccc(C)cc1S(=O)(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CC[NH+](C)CC1 ZINC000022798340 523849797 /nfs/dbraw/zinc/84/97/97/523849797.db2.gz ZUFKHLQQGVXOJJ-GOSISDBHSA-N 1 0 447.557 1.999 50 0 IDAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)c2ccc3c(c2)OCO3)CC1 ZINC000020614287 523917562 /nfs/dbraw/zinc/91/75/62/523917562.db2.gz YEBUEAKROUXQJU-SFHVURJKSA-N 1 0 446.454 1.737 50 0 IDAARO COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc(OC)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022795260 524044685 /nfs/dbraw/zinc/04/46/85/524044685.db2.gz LSZJDNXSZAOCRX-JOCHJYFZSA-N 1 0 440.544 1.425 50 0 IDAARO C[C@@H](CNS(=O)(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1)[NH+]1CCCC1 ZINC000011998513 524745235 /nfs/dbraw/zinc/74/52/35/524745235.db2.gz XQSKYOKDTRCXIY-AWEZNQCLSA-N 1 0 429.564 1.152 50 0 IDAARO COc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2cccc(OC)c2)cc1 ZINC000021534243 525014845 /nfs/dbraw/zinc/01/48/45/525014845.db2.gz HDKGMQAVZUVVHD-UHFFFAOYSA-N 1 0 447.557 1.717 50 0 IDAARO COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CC[NH+](C)CC2)cc1 ZINC000022851633 525064508 /nfs/dbraw/zinc/06/45/08/525064508.db2.gz LYYHJWJRFNEDFI-LJQANCHMSA-N 1 0 433.530 1.691 50 0 IDAARO Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCN1CC[NH+](Cc2ccccc2C)CC1 ZINC000022816407 525943015 /nfs/dbraw/zinc/94/30/15/525943015.db2.gz OTRQQRDJWDYAGB-UHFFFAOYSA-N 1 0 435.532 1.111 50 0 IDAARO O=C(CCN(CC[NH+]1CCCCC1)C(=O)c1cnccn1)NCc1ccc2c(c1)OCO2 ZINC000035819306 526474395 /nfs/dbraw/zinc/47/43/95/526474395.db2.gz LSMAKIIMTRPQDH-UHFFFAOYSA-N 1 0 439.516 1.840 50 0 IDAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012677162 526492688 /nfs/dbraw/zinc/49/26/88/526492688.db2.gz AORSJTXAVVLNSA-IBGZPJMESA-N 1 0 433.530 1.867 50 0 IDAARO O=C(c1cc(=O)nc2sc(N3CCOCC3)nn21)N1CCC([NH+]2CCCCC2)CC1 ZINC000035377854 526599936 /nfs/dbraw/zinc/59/99/36/526599936.db2.gz FUUREQFPDVGKNU-UHFFFAOYSA-N 1 0 432.550 1.078 50 0 IDAARO O=C(CN1CCN(CC(=O)N2CCCC2)CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000022786049 526769744 /nfs/dbraw/zinc/76/97/44/526769744.db2.gz XBVGHZWGDSPXRE-UHFFFAOYSA-N 1 0 427.593 1.007 50 0 IDAARO Cc1onc2c1c(C)nn(CC(=O)NCCCN1CCC([NH+]3CCCCC3)CC1)c2=O ZINC000035397053 526858232 /nfs/dbraw/zinc/85/82/32/526858232.db2.gz JVEGZANLECRKDB-UHFFFAOYSA-N 1 0 430.553 1.458 50 0 IDAARO O=C1Nc2ccccc2[C@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@@H]1C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000020758807 527091303 /nfs/dbraw/zinc/09/13/03/527091303.db2.gz RCCFYGVMSRDYLO-IJEZHKBASA-N 1 0 447.491 1.534 50 0 biogenic IDAARO O=C(C[C@@H]1C(=O)NCCN1C1Cc2ccccc2C1)N1CCC([NH+]2CCSCC2)CC1 ZINC000012440164 527100807 /nfs/dbraw/zinc/10/08/07/527100807.db2.gz CHGQMSIUKWZPPI-JOCHJYFZSA-N 1 0 442.629 1.384 50 0 IDAARO Cn1c2ccccc2n(CC(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)c(=O)c1=O ZINC000021943863 527110680 /nfs/dbraw/zinc/11/06/80/527110680.db2.gz FYFVCGSUTGAQJM-UHFFFAOYSA-N 1 0 438.503 1.868 50 0 IDAARO Cn1cc(-c2cc3n(n2)CCC(=O)N3CC(=O)NCCN2CC[NH+](C)CC2)c2ccccc21 ZINC000021937655 527131093 /nfs/dbraw/zinc/13/10/93/527131093.db2.gz SKDKBPHYQSNRLG-UHFFFAOYSA-N 1 0 449.559 1.142 50 0 IDAARO O=C(C[C@H]1C(=O)NCCN1C/C=C/c1ccccc1)N1CCC([NH+]2CCSCC2)CC1 ZINC000012714137 527151718 /nfs/dbraw/zinc/15/17/18/527151718.db2.gz MCVBXLBLDUAMMQ-SNXGKTBFSA-N 1 0 442.629 1.930 50 0 IDAARO Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@H]([NH2+]CCCN1CCCC1=O)C2 ZINC000014731216 527546911 /nfs/dbraw/zinc/54/69/11/527546911.db2.gz VLWFADABACAJJI-KRWDZBQOSA-N 1 0 427.524 1.949 50 0 IDAARO CN(C)S(=O)(=O)c1ccc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000011853363 536104987 /nfs/dbraw/zinc/10/49/87/536104987.db2.gz WGAOPVWPMKAEML-UHFFFAOYSA-N 1 0 430.574 1.879 50 0 IDAARO CC[NH+](CC)C[C@@H](O)CN1CCN(Cc2nc(C(=O)Nc3cccc(F)c3)co2)CC1 ZINC000034677195 555795427 /nfs/dbraw/zinc/79/54/27/555795427.db2.gz SHIBPRUIOYRLFY-LJQANCHMSA-N 1 0 433.528 1.886 50 0 IDAARO CCC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)N3CCN(c4ccccc4)CC3)co2)CC1 ZINC000034677727 555795988 /nfs/dbraw/zinc/79/59/88/555795988.db2.gz PPMNCWWZEIHNRT-OAQYLSRUSA-N 1 0 441.576 1.916 50 0 IDAARO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC(=O)N(CCC(=O)OC)C[C@H](OCc2ccncc2)C1 ZINC000014542326 556082955 /nfs/dbraw/zinc/08/29/55/556082955.db2.gz SCFNHEYYWHYDJK-PMACEKPBSA-N 1 0 446.548 1.075 50 0 IDAARO CC(C)C[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(Cl)c2)CC1 ZINC000008738998 556205353 /nfs/dbraw/zinc/20/53/53/556205353.db2.gz PKFTYAHBOKBCLH-UHFFFAOYSA-N 1 0 430.940 1.903 50 0 IDAARO CN(C)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022776840 556237159 /nfs/dbraw/zinc/23/71/59/556237159.db2.gz VUZYPZIOSLLQNZ-NRFANRHFSA-N 1 0 427.524 1.935 50 0 IDAARO COc1cc(C[NH2+]CCCOc2cccnc2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000011821857 556363324 /nfs/dbraw/zinc/36/33/24/556363324.db2.gz UMYLDWSMEGVETJ-HXUWFJFHSA-N 1 0 431.533 1.721 50 0 IDAARO COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1cnn(C)c1C)CC2 ZINC000014744303 556440076 /nfs/dbraw/zinc/44/00/76/556440076.db2.gz WMCHWPAHXBULIQ-UHFFFAOYSA-N 1 0 440.548 1.959 50 0 IDAARO COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](Cc1cnn(C)c1)CC2 ZINC000014749644 556443009 /nfs/dbraw/zinc/44/30/09/556443009.db2.gz TTYOBKRLPLDUHS-UHFFFAOYSA-N 1 0 441.532 1.874 50 0 IDAARO NC(=O)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3cccc(O)c3)CC2)C1=O ZINC000014754830 556444667 /nfs/dbraw/zinc/44/46/67/556444667.db2.gz FJTVSTBKCJYTPX-UHFFFAOYSA-N 1 0 436.512 1.719 50 0 IDAARO COc1cc(OC)cc(C(=O)N[C@H](C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C(C)C)c1 ZINC000072272931 556445786 /nfs/dbraw/zinc/44/57/86/556445786.db2.gz XQWKUYPBRVWAEF-UWJYYQICSA-N 1 0 434.581 1.458 50 0 IDAARO CC(C)CN(C(=O)C[NH+]1CCC(C)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013041046 556447255 /nfs/dbraw/zinc/44/72/55/556447255.db2.gz RRDPDUYQXOSLNZ-UHFFFAOYSA-N 1 0 427.549 1.888 50 0 IDAARO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000014915489 556458309 /nfs/dbraw/zinc/45/83/09/556458309.db2.gz JVCFOTLYRLWUKM-ROUUACIJSA-N 1 0 437.562 1.183 50 0 IDAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)[C@H]2CCC(=O)N(Cc3cccc(F)c3)C2)CC1 ZINC000014967245 556465968 /nfs/dbraw/zinc/46/59/68/556465968.db2.gz QDQKAMXFKSNLQJ-IBGZPJMESA-N 1 0 444.551 1.897 50 0 IDAARO COC(=O)c1ccc(C[N@H+]2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)cc1 ZINC000014992594 556475832 /nfs/dbraw/zinc/47/58/32/556475832.db2.gz QRAZCVBJSZFIMA-UHFFFAOYSA-N 1 0 433.512 1.982 50 0 IDAARO COc1ccc(C[N@H+]2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)c(OC)c1 ZINC000014993405 556476235 /nfs/dbraw/zinc/47/62/35/556476235.db2.gz UTANVYQHAYXUJC-LJQANCHMSA-N 1 0 437.566 1.600 50 0 IDAARO COCc1ccc(C(=O)NCc2nnc3n2CC[N@@H+](Cc2ccc4c(c2)CCO4)CC3)o1 ZINC000015006177 556481435 /nfs/dbraw/zinc/48/14/35/556481435.db2.gz BNHTZTAQXNGJHL-UHFFFAOYSA-N 1 0 437.500 1.941 50 0 IDAARO Cc1cnc(C[NH2+]C2CCN(c3ccc(C(=O)NCCN4CCOCC4)cc3)CC2)cn1 ZINC000015009108 556482832 /nfs/dbraw/zinc/48/28/32/556482832.db2.gz WMUKXJHBGHUQGA-UHFFFAOYSA-N 1 0 438.576 1.606 50 0 IDAARO COC(=O)[C@@H](CCSC)NCc1c(C(=O)N2CCC[N@H+](C)CC2)nc2sccn12 ZINC000015067676 556493821 /nfs/dbraw/zinc/49/38/21/556493821.db2.gz LLNSTCIWHPGZRK-CQSZACIVSA-N 1 0 439.607 1.558 50 0 IDAARO O=C1CCCN1CCC1CC[NH+](Cc2cccc(OC[C@H](O)CN3CCOCC3)c2)CC1 ZINC000015075044 556498790 /nfs/dbraw/zinc/49/87/90/556498790.db2.gz PBYDAEWXAJEXRW-HSZRJFAPSA-N 1 0 445.604 1.983 50 0 IDAARO O=C(CCC1CCN(C(=O)Cn2cnnn2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000015079571 556500737 /nfs/dbraw/zinc/50/07/37/556500737.db2.gz LFENAMIFGUCILH-FQEVSTJZSA-N 1 0 425.537 1.083 50 0 IDAARO CCCOc1ccc([C@]2(C)C(=O)N(CN3CCOCC3)C(=O)[C@H]2C[NH+]2CCOCC2)cc1 ZINC000013511199 556510113 /nfs/dbraw/zinc/51/01/13/556510113.db2.gz ATLKMLJYBCDKDF-QPPBQGQZSA-N 1 0 445.560 1.340 50 0 IDAARO CCOC(=O)CN1c2ccccc2[C@@]2([NH2+][C@H](C)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)C1=O ZINC000015319385 556519789 /nfs/dbraw/zinc/51/97/89/556519789.db2.gz KSXPGDMDBZILQH-GKUGODBBSA-N 1 0 433.464 1.589 50 0 IDAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)[NH2+][C@@]21C(=O)Nc2ccc(F)cc21 ZINC000013573200 556523851 /nfs/dbraw/zinc/52/38/51/556523851.db2.gz SCWXIHJWDBJOSQ-CMCWBKRRSA-N 1 0 437.471 1.825 50 0 IDAARO Cc1nc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc(N2CCCC2)[nH+]1 ZINC000015671273 556542087 /nfs/dbraw/zinc/54/20/87/556542087.db2.gz YPUVFMCCPGUHNC-UHFFFAOYSA-N 1 0 445.545 1.667 50 0 IDAARO NC(=O)CC[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000016009747 556573686 /nfs/dbraw/zinc/57/36/86/556573686.db2.gz PXGZMBIMSTYNMD-QYUDBREXSA-N 1 0 436.443 1.012 50 0 IDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@]21C(=O)Nc2ccc(Br)cc21 ZINC000016022192 556575622 /nfs/dbraw/zinc/57/56/22/556575622.db2.gz UMSWYBBSMHRQPH-ZTENYAIWSA-N 1 0 436.306 1.472 50 0 IDAARO Cc1c(C(=O)NCCCC[NH+]2CCOCC2)cc(Br)cc1S(N)(=O)=O ZINC000072310071 556577915 /nfs/dbraw/zinc/57/79/15/556577915.db2.gz CYXYCKCTHIYXCI-UHFFFAOYSA-N 1 0 434.356 1.247 50 0 IDAARO COc1ccc(NC(=O)c2nnc(COCC(=O)NCC[NH+]3CCCCC3)s2)cc1 ZINC000032987380 556607383 /nfs/dbraw/zinc/60/73/83/556607383.db2.gz BGIHVSGFRTYGIN-UHFFFAOYSA-N 1 0 433.534 1.918 50 0 IDAARO C[NH+]1CCN(CCCNC(=O)CSc2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000033011983 556660477 /nfs/dbraw/zinc/66/04/77/556660477.db2.gz HCHFHNCRVXNGLJ-UHFFFAOYSA-N 1 0 434.591 1.636 50 0 IDAARO O=C(NCC[NH+]1CCCCCC1)[C@@H]1CCCN1S(=O)(=O)c1cccc2nsnc21 ZINC000013521494 556676088 /nfs/dbraw/zinc/67/60/88/556676088.db2.gz DYHJYPRPHIBGBH-INIZCTEOSA-N 1 0 437.591 1.837 50 0 IDAARO CC[NH+](CC)CCN(CCS(=O)(=O)N1CCNCC1)C(=O)c1cccc(Cl)c1 ZINC000046140822 556691400 /nfs/dbraw/zinc/69/14/00/556691400.db2.gz SVBCCRXUNWOOFN-UHFFFAOYSA-N 1 0 431.002 1.359 50 0 IDAARO C[C@H]1CCCC[N@@H+]1CCN(CCS(=O)(=O)N1CCNCC1)C(=O)c1ccccc1F ZINC000046141053 556692217 /nfs/dbraw/zinc/69/22/17/556692217.db2.gz WBCMUAINCWLZQX-SFHVURJKSA-N 1 0 440.585 1.377 50 0 IDAARO CC(C)[C@@H](CNS(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)N1CC[NH+](C)CC1 ZINC000253427771 556697362 /nfs/dbraw/zinc/69/73/62/556697362.db2.gz GREOSHQOUWOGKK-MRXNPFEDSA-N 1 0 438.015 1.294 50 0 IDAARO COc1cc(C(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccccc2)cc(OC)c1OC ZINC000033032397 556712775 /nfs/dbraw/zinc/71/27/75/556712775.db2.gz WFUVELZJAMKYSB-UHFFFAOYSA-N 1 0 427.501 1.787 50 0 IDAARO CN1CCN(C(=O)c2ccc(N3CC[NH2+]CC3)c(NS(=O)(=O)c3ccccc3)c2)CC1 ZINC000033033006 556713510 /nfs/dbraw/zinc/71/35/10/556713510.db2.gz BLGUXWJTXQLFBK-UHFFFAOYSA-N 1 0 443.573 1.285 50 0 IDAARO COCCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000033034086 556715575 /nfs/dbraw/zinc/71/55/75/556715575.db2.gz DSUCZYQWHOQTAU-UHFFFAOYSA-N 1 0 432.546 1.582 50 0 IDAARO COCCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2cc(C)ccc2C)c1 ZINC000033034088 556715842 /nfs/dbraw/zinc/71/58/42/556715842.db2.gz OWTGOKGHEOSGRF-UHFFFAOYSA-N 1 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CC(C)C[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(-c4cc[nH]n4)o3)C2)CC1 ZINC000033262302 556901751 /nfs/dbraw/zinc/90/17/51/556901751.db2.gz YCNAZMHGRQQUMH-KRWDZBQOSA-N 1 0 449.577 1.871 50 0 IDAARO O=C(CCc1cn[nH]c1)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000019787222 556914251 /nfs/dbraw/zinc/91/42/51/556914251.db2.gz YMJDFDMQLBPKAU-HXUWFJFHSA-N 1 0 425.533 1.880 50 0 IDAARO O=C(CCN1CCCC1=O)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000019794355 556915903 /nfs/dbraw/zinc/91/59/03/556915903.db2.gz DWFVXAOPNUAFRR-HXUWFJFHSA-N 1 0 442.560 1.536 50 0 IDAARO COc1cc(CN2CCN(Cc3nccn3C)CC2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000020204568 556997940 /nfs/dbraw/zinc/99/79/40/556997940.db2.gz QTYPMICCGLLLBA-OAQYLSRUSA-N 1 0 445.608 1.826 50 0 IDAARO O=C(CCn1cccn1)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020418728 557015027 /nfs/dbraw/zinc/01/50/27/557015027.db2.gz BCTQQEKWBVUORQ-FQEVSTJZSA-N 1 0 425.533 1.811 50 0 IDAARO COCCNC(=O)c1cc(NS(=O)(=O)c2ccccc2C)ccc1N1CC[NH2+]CC1 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COc1ccc(OC)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CC[NH2+]CC2)c1 ZINC000045974341 557556475 /nfs/dbraw/zinc/55/64/75/557556475.db2.gz NLAHYAJAXPLXGG-UHFFFAOYSA-N 1 0 447.557 1.369 50 0 IDAARO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@H+](CCNC(C)=O)C1CCSCC1 ZINC000225788093 557778074 /nfs/dbraw/zinc/77/80/74/557778074.db2.gz WYZLNVMWESHEQB-HXUWFJFHSA-N 1 0 433.574 1.447 50 0 IDAARO CNC(=O)CN1CCC(NC(=O)Nc2ccccc2N2CCC(C[NH+](C)C)CC2)CC1 ZINC000225850020 557785283 /nfs/dbraw/zinc/78/52/83/557785283.db2.gz JMKRGRLGWYJKSO-UHFFFAOYSA-N 1 0 430.597 1.797 50 0 IDAARO Cn1ccnc1[C@@H](O)C1CC[NH+](C[C@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)CC1 ZINC000240225341 557845228 /nfs/dbraw/zinc/84/52/28/557845228.db2.gz DHGZNKRWJPJXRD-XLIONFOSSA-N 1 0 449.596 1.929 50 0 IDAARO COC(=O)c1ccc(OC[C@@H](O)C[N@H+](CCO)C[C@H](O)Cn2ccc3ccccc32)cc1 ZINC000008685261 562962398 /nfs/dbraw/zinc/96/23/98/562962398.db2.gz QNUHZILWONFXCK-SFTDATJTSA-N 1 0 442.512 1.523 50 0 IDAARO C[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 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YBDQEKHXRHVSEE-UHFFFAOYSA-N 1 0 432.521 1.934 50 0 IDAARO COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccccc2)c1 ZINC000015864179 568849477 /nfs/dbraw/zinc/84/94/77/568849477.db2.gz YTZYLWHIGXOGTR-UHFFFAOYSA-N 1 0 433.530 1.327 50 0 IDAARO CN1CC[N@H+](CCCNC(=O)CNC(=O)Cc2cccc(F)c2)[C@@H](c2ccccc2)C1 ZINC000226885344 568885558 /nfs/dbraw/zinc/88/55/58/568885558.db2.gz JLQDROJYGAKEAD-JOCHJYFZSA-N 1 0 426.536 1.979 50 0 IDAARO Cn1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000013003169 568898472 /nfs/dbraw/zinc/89/84/72/568898472.db2.gz FLOQBTLTSTYFDN-HXUWFJFHSA-N 1 0 430.574 1.817 50 0 IDAARO COc1cccc(C[C@@H](C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)n2nnnc2C)c1 ZINC000241383451 568912238 /nfs/dbraw/zinc/91/22/38/568912238.db2.gz MVLCTDLGDCHDFZ-RTWAWAEBSA-N 1 0 428.537 1.487 50 0 IDAARO CS[C@H]1CN(C(=O)CN2C(=O)COc3cc(Br)ccc32)C[C@@H]1[NH+](C)C ZINC000089314088 568920753 /nfs/dbraw/zinc/92/07/53/568920753.db2.gz SPPBCRHHUYYHQI-ZFWWWQNUSA-N 1 0 428.352 1.679 50 0 IDAARO CC[NH+]1CCN(c2ccc(N3CCN(C(=O)c4ccc(OC)c(OC)c4)CC3)nn2)CC1 ZINC000016689906 568938358 /nfs/dbraw/zinc/93/83/58/568938358.db2.gz FTMPJBRHODBOKG-UHFFFAOYSA-N 1 0 440.548 1.598 50 0 IDAARO C[NH+](C)CCNC(=O)c1nn(-c2ccccc2F)c(=O)n(Cc2cccc(Cl)c2)c1=O ZINC000036085301 568947882 /nfs/dbraw/zinc/94/78/82/568947882.db2.gz ZXPNNZYMTYKNEK-UHFFFAOYSA-N 1 0 445.882 1.526 50 0 IDAARO COc1cc(OC)c(NC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@@H+](C)CC2)cc1Cl ZINC000064836191 568969207 /nfs/dbraw/zinc/96/92/07/568969207.db2.gz KCKYISYFLTVOCL-UHFFFAOYSA-N 1 0 431.880 1.944 50 0 IDAARO CC[NH+]1CCN(CCNC(=O)c2cc3n(n2)CCCN(Cc2cccc(C)c2)C3=O)CC1 ZINC000064959760 568999999 /nfs/dbraw/zinc/99/99/99/568999999.db2.gz FZTGPXNCFHVSFC-UHFFFAOYSA-N 1 0 438.576 1.605 50 0 IDAARO CCn1c2c(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cnn2c(=O)c2c1CC[NH2+]C2 ZINC000064966226 569001237 /nfs/dbraw/zinc/00/12/37/569001237.db2.gz OQPIFZUUDMYIFE-UHFFFAOYSA-N 1 0 440.935 1.777 50 0 IDAARO CC[C@@H](C)NC(=O)c1cc(NS(=O)(=O)c2ccc(OC)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025124 569090464 /nfs/dbraw/zinc/09/04/64/569090464.db2.gz MSCHHOGALYNHPI-OAHLLOKOSA-N 1 0 447.561 1.829 50 0 IDAARO CC[C@@H](C)NC(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025108 569090484 /nfs/dbraw/zinc/09/04/84/569090484.db2.gz QPAWUIZKIMCEIM-CQSZACIVSA-N 1 0 435.525 1.959 50 0 IDAARO Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)C[NH+]3CCC(C)CC3)C2)cnn1C ZINC000006921758 569109500 /nfs/dbraw/zinc/10/95/00/569109500.db2.gz LGWUUUPUHWVZJA-FUHWJXTLSA-N 1 0 425.599 1.366 50 0 IDAARO Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)C[NH+]3CCC(C)CC3)C2)cnn1C ZINC000006921754 569109593 /nfs/dbraw/zinc/10/95/93/569109593.db2.gz LGWUUUPUHWVZJA-WMZOPIPTSA-N 1 0 425.599 1.366 50 0 IDAARO COc1ccc(NC(=O)Nc2ccc(C)n(CC(=O)N3CCC[N@H+](C)CC3)c2=O)cc1 ZINC000065212355 569116805 /nfs/dbraw/zinc/11/68/05/569116805.db2.gz NAFLKNRXKIMQQL-UHFFFAOYSA-N 1 0 427.505 1.973 50 0 IDAARO Cc1nc(C(=O)NCCC[NH+]2CCC(C)CC2)c(C)n1C1CCN(S(C)(=O)=O)CC1 ZINC000065257420 569123555 /nfs/dbraw/zinc/12/35/55/569123555.db2.gz SXKUIVVWVODUPT-UHFFFAOYSA-N 1 0 439.626 1.948 50 0 IDAARO O=C(NCC[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1[nH]nc2c1COc1ccccc1-2 ZINC000524730582 569126075 /nfs/dbraw/zinc/12/60/75/569126075.db2.gz OBBGAEJNJUYPTP-CVEARBPZSA-N 1 0 431.496 1.980 50 0 biogenic IDAARO COc1cc2ncn(CC(=O)Nc3ccc(OCC[NH+](C)C)cc3)c(=O)c2cc1OC ZINC000524734368 569127763 /nfs/dbraw/zinc/12/77/63/569127763.db2.gz XMFRYQDYHLIXHC-UHFFFAOYSA-N 1 0 426.473 1.993 50 0 IDAARO CC(C)C(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NC2CC[NH+](C)CC2)CC3)CC1 ZINC000065273791 569128239 /nfs/dbraw/zinc/12/82/39/569128239.db2.gz FGYNVPXBNNYRJC-INIZCTEOSA-N 1 0 433.622 1.763 50 0 IDAARO CC1CCN(S(=O)(=O)c2ccc(-c3noc(C(=O)NCC[NH+]4CCCC4)n3)cc2)CC1 ZINC000065319211 569134811 /nfs/dbraw/zinc/13/48/11/569134811.db2.gz KWHVKKFJGMKMCQ-UHFFFAOYSA-N 1 0 447.561 1.983 50 0 IDAARO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NC[C@@H]([C@H]1CCOC1)[NH+]1CCCC1 ZINC000065512478 569138978 /nfs/dbraw/zinc/13/89/78/569138978.db2.gz WOFYIPXBAQBZOD-YJBOKZPZSA-N 1 0 440.566 1.568 50 0 IDAARO Cc1ccc(NC(=O)CN2CCSCC[C@H]2C)cc1S(=O)(=O)N1CCOCC1 ZINC000170616723 569146725 /nfs/dbraw/zinc/14/67/25/569146725.db2.gz WBRGUSSYLNEAND-MRXNPFEDSA-N 1 0 427.592 1.782 50 0 IDAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000089794416 569164088 /nfs/dbraw/zinc/16/40/88/569164088.db2.gz CDXXPWQTDPUNHN-WBVHZDCISA-N 1 0 436.534 1.088 50 0 IDAARO Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)[nH+]1 ZINC000017012926 569170485 /nfs/dbraw/zinc/17/04/85/569170485.db2.gz UXAPBNIRWTYIMA-UHFFFAOYSA-N 1 0 437.953 1.786 50 0 IDAARO COc1cccc(C(=O)N2CCN(c3nc(N4CCOCC4)cc(C)[nH+]3)CC2)c1OC ZINC000017012519 569170707 /nfs/dbraw/zinc/17/07/07/569170707.db2.gz DYLODVNUTHGESV-UHFFFAOYSA-N 1 0 427.505 1.601 50 0 IDAARO Cc1ccc(S(=O)(=O)N2CCN(c3nc(N4CCN(C)CC4)cc(C)[nH+]3)CC2)cc1 ZINC000017050799 569171745 /nfs/dbraw/zinc/17/17/45/569171745.db2.gz IDWZANIGQDOYQA-UHFFFAOYSA-N 1 0 430.578 1.356 50 0 IDAARO CC(=O)NC1=NN(C(C)=O)[C@]2(S1)c1cc(C)ccc1N(CC[NH+]1CCCCC1)C2=O ZINC000002196532 569191403 /nfs/dbraw/zinc/19/14/03/569191403.db2.gz JUYHHLVKNBGYFL-NRFANRHFSA-N 1 0 429.546 1.983 50 0 IDAARO CC(=O)c1cccc(-n2c(=O)c3ccccc3n(CC(=O)NCC[NH+]3CCCC3)c2=O)c1 ZINC000037399148 569194286 /nfs/dbraw/zinc/19/42/86/569194286.db2.gz ADFFFEAIAQQVMZ-UHFFFAOYSA-N 1 0 434.496 1.567 50 0 IDAARO C[NH+]1CCC(C)(CNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3Cl)CCO2)CC1 ZINC000253428509 569267640 /nfs/dbraw/zinc/26/76/40/569267640.db2.gz QLZFOPBXELWFQK-MRXNPFEDSA-N 1 0 429.970 1.578 50 0 IDAARO C[C@@H](NC(=O)C(=O)NCC[NH+](C)C)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020288209 569359348 /nfs/dbraw/zinc/35/93/48/569359348.db2.gz REPWYFXTXYQBNW-NQIIRXRSSA-N 1 0 443.617 1.794 50 0 IDAARO COc1ccc(N2C[C@@H](C(=O)N3CCC([N@H+](C)CC(=O)NC(C)C)CC3)CC2=O)cc1 ZINC000095432322 569366299 /nfs/dbraw/zinc/36/62/99/569366299.db2.gz UYKAUCDJUCDFAL-KRWDZBQOSA-N 1 0 430.549 1.496 50 0 IDAARO CC(C)c1ccc(Cn2nccc2NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000095444226 569367046 /nfs/dbraw/zinc/36/70/46/569367046.db2.gz WZBCCGNLXMLUGL-LJQANCHMSA-N 1 0 440.592 1.993 50 0 IDAARO COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000095446743 569367292 /nfs/dbraw/zinc/36/72/92/569367292.db2.gz DVFAGKDCLXXONQ-IBGZPJMESA-N 1 0 431.581 1.018 50 0 IDAARO Cc1ccn2c(c1)ncc(C(=O)NC[C@H]1CN(C(=O)Nc3ccccc3)[C@H]3CC[N@@H+]1C3)c2=O ZINC000095452855 569368034 /nfs/dbraw/zinc/36/80/34/569368034.db2.gz CGAUSTPLBSBUSV-OALUTQOASA-N 1 0 446.511 1.723 50 0 IDAARO Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCN(C)c1ccccc1 ZINC000095472013 569372028 /nfs/dbraw/zinc/37/20/28/569372028.db2.gz RTCGHDMARIQDCY-UHFFFAOYSA-N 1 0 430.574 1.797 50 0 IDAARO COc1ccc(C[NH+]2CCC(NC(=O)Cn3nc4c(cc3=O)CCCC4)CC2)cc1OC ZINC000096344581 569397042 /nfs/dbraw/zinc/39/70/42/569397042.db2.gz MFFBEBZVQRZDCD-UHFFFAOYSA-N 1 0 440.544 1.920 50 0 IDAARO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NCCNC(=O)OC(C)(C)C)CC1 ZINC000058167225 569449406 /nfs/dbraw/zinc/44/94/06/569449406.db2.gz PRWKXYKWRFKBMN-UHFFFAOYSA-N 1 0 427.590 1.781 50 0 IDAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C1CCN(c2ccc3nncn3n2)CC1 ZINC000031239212 569455044 /nfs/dbraw/zinc/45/50/44/569455044.db2.gz XUJDIDQDYVROMZ-UHFFFAOYSA-N 1 0 448.575 1.669 50 0 IDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 ZINC000004272305 569461678 /nfs/dbraw/zinc/46/16/78/569461678.db2.gz NPZKXLBZMSFXQD-QGZVFWFLSA-N 1 0 426.517 1.283 50 0 IDAARO CCOC(=O)C1=C(CN2CCC[N@H+](C)CC2)NC(=O)N[C@H]1c1ccc(OCC)c(OC)c1 ZINC000067286777 569467015 /nfs/dbraw/zinc/46/70/15/569467015.db2.gz XRVQRFKETQAWTG-NRFANRHFSA-N 1 0 446.548 1.903 50 0 IDAARO O=C1Nc2ccccc2[C@@]12[NH2+][C@@H](Cc1ccccc1)[C@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]12 ZINC000009045635 569498131 /nfs/dbraw/zinc/49/81/31/569498131.db2.gz QWTPFGWYUWQUJX-DVNZQXEZSA-N 1 0 431.492 1.829 50 0 IDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(OC)c(N2CCCCS2(=O)=O)c1 ZINC000040286525 569498168 /nfs/dbraw/zinc/49/81/68/569498168.db2.gz LVQZNTKFSDVMLO-MRXNPFEDSA-N 1 0 438.550 1.164 50 0 IDAARO C[C@H](NC(=O)c1cccc(Br)c1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000009060490 569499386 /nfs/dbraw/zinc/49/93/86/569499386.db2.gz CONFLXINLNBOTG-ZDUSSCGKSA-N 1 0 446.349 1.954 50 0 IDAARO CCn1cc(C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c(=O)c2cc3c(cc21)OCO3 ZINC000009135032 569507086 /nfs/dbraw/zinc/50/70/86/569507086.db2.gz LITXIBSYFQZWKD-KRWDZBQOSA-N 1 0 444.532 1.572 50 0 IDAARO COc1ccc(C(=O)N[C@@H](C)C(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)cc1OC ZINC000009185690 569510194 /nfs/dbraw/zinc/51/01/94/569510194.db2.gz SZKBFYZBBXCONY-AWEZNQCLSA-N 1 0 427.505 1.209 50 0 IDAARO CCn1cc(C(=O)NCC(=O)NC[C@H]2CCC[N@@H+]2CC)c(=O)c2cc3c(cc21)OCO3 ZINC000009304073 569521121 /nfs/dbraw/zinc/52/11/21/569521121.db2.gz FYIQJKBJDWEVII-CQSZACIVSA-N 1 0 428.489 1.080 50 0 IDAARO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000009620180 569553388 /nfs/dbraw/zinc/55/33/88/569553388.db2.gz ZGDKKGHVOGFZRQ-FQEVSTJZSA-N 1 0 434.537 1.834 50 0 IDAARO C[NH+](C)[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1ccccc1 ZINC000009670339 569558275 /nfs/dbraw/zinc/55/82/75/569558275.db2.gz FIHWAATUBATQRO-FQEVSTJZSA-N 1 0 431.558 1.610 50 0 IDAARO CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000009741530 569565268 /nfs/dbraw/zinc/56/52/68/569565268.db2.gz AIPWKSNXFWEVPE-NRFANRHFSA-N 1 0 448.589 1.351 50 0 IDAARO CC(=O)Nc1cccc(NC(=O)CSc2nc(=O)n(CC[NH+](C)C)c3c2CCC3)c1 ZINC000009745344 569565644 /nfs/dbraw/zinc/56/56/44/569565644.db2.gz YQGAOJDTJTWZRO-UHFFFAOYSA-N 1 0 429.546 1.983 50 0 IDAARO Cc1cn2c3c(nc2n1CCC[NH+]1CCN(c2ccccc2)CC1)n(C)c(=O)n(C)c3=O ZINC000009421115 132316358 /nfs/dbraw/zinc/31/63/58/132316358.db2.gz GQBKCNRAKIZTLJ-UHFFFAOYSA-N 1 0 435.532 1.207 50 0 IDAARO COc1cccc(N2CCCn3c2nc2c3c(=O)n(CC[NH+]3CCCCC3)c(=O)n2C)c1 ZINC000010105013 132334840 /nfs/dbraw/zinc/33/48/40/132334840.db2.gz CFJGKYNHUNSZCQ-UHFFFAOYSA-N 1 0 438.532 1.933 50 0 IDAARO CC(C)[NH+](CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c1)C(C)C ZINC000012909230 519648138 /nfs/dbraw/zinc/64/81/38/519648138.db2.gz XECYDNJJEHNPLF-QGZVFWFLSA-N 1 0 445.607 1.001 50 0 IDAARO CC(C)CCNC(=O)[C@]1(C)Cn2nc(C(=O)NCCC[NH+]3CCCCC3)cc2C(=O)N1C ZINC000021875830 519662197 /nfs/dbraw/zinc/66/21/97/519662197.db2.gz AAMVTTJFWWMLKD-QHCPKHFHSA-N 1 0 446.596 1.496 50 0 IDAARO CC(C)[C@H](NC(=O)C1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1)C(=O)NCc1ccc(F)cc1 ZINC000012873432 519818263 /nfs/dbraw/zinc/81/82/63/519818263.db2.gz FEAMDIVMHZYOEM-PMACEKPBSA-N 1 0 432.540 1.573 50 0 biogenic IDAARO CCC[NH+]1CCN(CCCNC(=O)[C@@H]2CCCN2c2nnc(N3CCCC3=O)s2)CC1 ZINC000020901548 519858334 /nfs/dbraw/zinc/85/83/34/519858334.db2.gz USRCDEHCOFRYHB-KRWDZBQOSA-N 1 0 449.625 1.168 50 0 IDAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)N(C)C(=O)N[C@H]1c1cccc(OC)c1OC ZINC000035991173 520515196 /nfs/dbraw/zinc/51/51/96/520515196.db2.gz WURMNRLDMRTHBP-IBGZPJMESA-N 1 0 432.521 1.465 50 0 IDAARO CC[NH+](CC)CCNC(=O)[C@@H]1Cc2cc(S(=O)(=O)N3CCCC3)ccc2N1C(C)=O ZINC000021022216 520680504 /nfs/dbraw/zinc/68/05/04/520680504.db2.gz LYUBDMQUPRDTGQ-FQEVSTJZSA-N 1 0 436.578 1.207 50 0 IDAARO CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NCC[NH+](CC)CC)CC2=O)cc1 ZINC000022704478 520681325 /nfs/dbraw/zinc/68/13/25/520681325.db2.gz VIBQUUYLGSNWJY-KRWDZBQOSA-N 1 0 438.594 1.528 50 0 IDAARO CC[NH+](CC)CCNC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCC1)N(C)C2=O ZINC000021874776 520683424 /nfs/dbraw/zinc/68/34/24/520683424.db2.gz VMBVZXSMWKGPGG-QFIPXVFZSA-N 1 0 432.569 1.248 50 0 IDAARO CCOC(=O)CCc1c(C)nc2ncnn2c1N1CCN(C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000022648435 520716518 /nfs/dbraw/zinc/71/65/18/520716518.db2.gz DOUCLPMEPLVZMK-SFHVURJKSA-N 1 0 429.569 1.392 50 0 IDAARO CCOc1cc2[nH]c(=O)n(CCC(=O)NCC[NH+]3CCC(C)CC3)c(=O)c2cc1OCC ZINC000020616860 520788272 /nfs/dbraw/zinc/78/82/72/520788272.db2.gz HJQQWNNOYWUIRC-UHFFFAOYSA-N 1 0 446.548 1.725 50 0 IDAARO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCC[N@H+](C)Cc2ccccc2)c1 ZINC000021938970 520789677 /nfs/dbraw/zinc/78/96/77/520789677.db2.gz NLUONBPWLOLKOY-UHFFFAOYSA-N 1 0 448.589 1.517 50 0 IDAARO CCCn1c(=O)cc(C(=O)NCC[NH+]2CCCCCC2)c2c(=O)n(CCC)c(=O)n(C)c21 ZINC000035422408 521618555 /nfs/dbraw/zinc/61/85/55/521618555.db2.gz ARMFIJVTDDFYET-UHFFFAOYSA-N 1 0 445.564 1.288 50 0 IDAARO CC[NH+]1CCN(CCCNC(=O)CN2C(=O)[C@H](c3ccccc3)Oc3cccnc32)CC1 ZINC000020918079 521679936 /nfs/dbraw/zinc/67/99/36/521679936.db2.gz NUUVQFCMFRFIFB-QFIPXVFZSA-N 1 0 437.544 1.692 50 0 IDAARO CCCN1C(=O)c2cc(C(=O)NCC[NH+](CC)CC)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021531029 521702585 /nfs/dbraw/zinc/70/25/85/521702585.db2.gz NALVUGJYUVEZPZ-QHCPKHFHSA-N 1 0 446.596 1.638 50 0 IDAARO COc1cc(C[N@H+]2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)cc(OC)c1 ZINC000012279902 522402108 /nfs/dbraw/zinc/40/21/08/522402108.db2.gz VKKRYYGUQHXWEQ-LJQANCHMSA-N 1 0 437.566 1.600 50 0 IDAARO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]CC(C)(C)N1CCOCC1)C2 ZINC000023353905 523613513 /nfs/dbraw/zinc/61/35/13/523613513.db2.gz UIRFBEHGNQSLQZ-KRWDZBQOSA-N 1 0 435.638 1.650 50 0 IDAARO COc1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc(C)[nH+]3)CC2)cc1OC ZINC000021793818 523650550 /nfs/dbraw/zinc/65/05/50/523650550.db2.gz MXXVNAXFNKZQFF-UHFFFAOYSA-N 1 0 427.505 1.601 50 0 IDAARO COC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(N2CCC([NH2+]Cc3nonc3C)CC2)cc1 ZINC000012149924 523693005 /nfs/dbraw/zinc/69/30/05/523693005.db2.gz GBXKLZXLUDYIMN-NRFANRHFSA-N 1 0 441.532 1.843 50 0 IDAARO CN1C(=O)c2cc(C(=O)NCCC[NH+]3CCCC3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021874383 523728462 /nfs/dbraw/zinc/72/84/62/523728462.db2.gz TZJHMWSMYBEDLL-QFIPXVFZSA-N 1 0 430.553 1.002 50 0 IDAARO C[NH+]1CCN(CCNC(=O)[C@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)CC1 ZINC000020556961 523902256 /nfs/dbraw/zinc/90/22/56/523902256.db2.gz DBOLLVRCWCZTER-SFHVURJKSA-N 1 0 440.596 1.133 50 0 IDAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)c2ccc(F)cc2)CC1 ZINC000022795795 523916929 /nfs/dbraw/zinc/91/69/29/523916929.db2.gz KCGFFGJSYLQLBB-IBGZPJMESA-N 1 0 442.491 1.276 50 0 IDAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)NCc2ccc(F)cc2)c2ccc3c(c2)OCO3)CC1 ZINC000022851248 523919374 /nfs/dbraw/zinc/91/93/74/523919374.db2.gz CFVUXYDQEBYANV-LJQANCHMSA-N 1 0 442.491 1.276 50 0 IDAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)c2ccc(F)cc2)CC1 ZINC000022796257 523919719 /nfs/dbraw/zinc/91/97/19/523919719.db2.gz XCJOKNRAVYGAPC-GOSISDBHSA-N 1 0 428.464 1.598 50 0 IDAARO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)cn2)CC1 ZINC000022416436 523925922 /nfs/dbraw/zinc/92/59/22/523925922.db2.gz DVQGJCZXTCSAFW-IBGZPJMESA-N 1 0 447.536 1.764 50 0 IDAARO COc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)c(OC)c1 ZINC000020784549 524039949 /nfs/dbraw/zinc/03/99/49/524039949.db2.gz JNPMVJGWBWVQOV-UHFFFAOYSA-N 1 0 425.489 1.919 50 0 IDAARO CN(CC[NH+](C)C)C(=O)c1cccc(OC2CCN(C(=O)CCn3cccn3)CC2)c1 ZINC000012091761 524061174 /nfs/dbraw/zinc/06/11/74/524061174.db2.gz GBOFGMAZUQBVOQ-UHFFFAOYSA-N 1 0 427.549 1.977 50 0 IDAARO COc1ccc(NC(=O)C(=O)NC[C@H](c2ccsc2)N2CC[NH+](C)CC2)c(OC)c1 ZINC000022766237 524462052 /nfs/dbraw/zinc/46/20/52/524462052.db2.gz FTADONOGKKHOEF-GOSISDBHSA-N 1 0 432.546 1.809 50 0 IDAARO CSCC[C@@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000020572624 525558107 /nfs/dbraw/zinc/55/81/07/525558107.db2.gz RHYOENXZKCWYKI-DMMAATOQSA-N 1 0 449.960 1.993 50 0 IDAARO Cc1ccn2c(c1)ncc(C(=O)NC[C@@H]1CN(C(=O)Nc3ccccc3)[C@H]3CC[N@@H+]1C3)c2=O ZINC000095452854 525613064 /nfs/dbraw/zinc/61/30/64/525613064.db2.gz CGAUSTPLBSBUSV-RBUKOAKNSA-N 1 0 446.511 1.723 50 0 IDAARO COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)CC[NH+]2CCCCC2)c1OC ZINC000012717274 525947301 /nfs/dbraw/zinc/94/73/01/525947301.db2.gz SDKMPVLTZAYAGG-IBGZPJMESA-N 1 0 432.565 1.339 50 0 IDAARO C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)[NH2+][C@]21c2ccccc2NC1=O ZINC000035365989 526097236 /nfs/dbraw/zinc/09/72/36/526097236.db2.gz XKLVJEDXEYQMDS-NJJAPQNDSA-N 1 0 432.480 1.434 50 0 biogenic IDAARO COc1cccc(OCCOC[C@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000022916643 526232321 /nfs/dbraw/zinc/23/23/21/526232321.db2.gz BMCRUHVHEBWPFI-HXUWFJFHSA-N 1 0 444.528 1.998 50 0 IDAARO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000012510571 526551203 /nfs/dbraw/zinc/55/12/03/526551203.db2.gz MAEBUDUORRTHNI-IBGZPJMESA-N 1 0 447.561 1.835 50 0 IDAARO O=C(C[NH2+][C@@H](c1cccs1)c1ccccc1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000012795575 526887795 /nfs/dbraw/zinc/88/77/95/526887795.db2.gz HSFUNGJAAKYCIO-HSZRJFAPSA-N 1 0 442.585 1.430 50 0 IDAARO O=C1COc2ccc(S(=O)(=O)NCCCN3CC[NH+](C4CCCCC4)CC3)cc2N1 ZINC000020491574 527015179 /nfs/dbraw/zinc/01/51/79/527015179.db2.gz MTCFDSCCCVPZSY-UHFFFAOYSA-N 1 0 436.578 1.636 50 0 IDAARO Cn1cc(CCC(=O)N2CCC[C@@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cn1 ZINC000020912500 527181766 /nfs/dbraw/zinc/18/17/66/527181766.db2.gz BYAZMUBFQZYIDK-OAQYLSRUSA-N 1 0 439.560 1.890 50 0 IDAARO Nc1ncc(Br)cc1S(=O)(=O)NCCC(=O)NCC[NH+]1CCCCCC1 ZINC000020487684 527563448 /nfs/dbraw/zinc/56/34/48/527563448.db2.gz BVVGFTOVFWZCDV-UHFFFAOYSA-N 1 0 448.387 1.087 50 0 IDAARO CCC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)N3CCN(c4ccccc4)CC3)co2)CC1 ZINC000034677726 555796144 /nfs/dbraw/zinc/79/61/44/555796144.db2.gz PPMNCWWZEIHNRT-NRFANRHFSA-N 1 0 441.576 1.916 50 0 IDAARO Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000008741515 556207037 /nfs/dbraw/zinc/20/70/37/556207037.db2.gz WMEBCEVXDSUJKQ-UHFFFAOYSA-N 1 0 441.923 1.460 50 0 IDAARO COc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(OC)c2)N2CC[NH+](C)CC2)cc1 ZINC000022778542 556244214 /nfs/dbraw/zinc/24/42/14/556244214.db2.gz BKLOYPXTRRRSAI-OAQYLSRUSA-N 1 0 426.517 1.747 50 0 IDAARO COc1ccc(-c2nc(SCC[NH+]3CCCC3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000013685174 556275765 /nfs/dbraw/zinc/27/57/65/556275765.db2.gz JHZSYERNRUFTNI-UHFFFAOYSA-N 1 0 427.530 1.891 50 0 IDAARO COC(=O)[C@@H]1CCCN1C(=O)C[C@]1(c2ccccc2C)CC(=O)N(CC[NH+](C)C)C1=O ZINC000011841045 556365018 /nfs/dbraw/zinc/36/50/18/556365018.db2.gz FAPYJUOVWONJPI-FDDCHVKYSA-N 1 0 429.517 1.107 50 0 IDAARO C[C@H](NC(=O)c1cccnc1)c1nnc2n1CC[N@@H+](Cc1cccc(OCCO)c1)CC2 ZINC000011881660 556373150 /nfs/dbraw/zinc/37/31/50/556373150.db2.gz FFQFRZBMWRGGTP-KRWDZBQOSA-N 1 0 436.516 1.594 50 0 IDAARO CC[NH+](CC)CCNC(=O)COc1ccc(-c2cnccn2)cc1CN1CCOCC1 ZINC000012042513 556391534 /nfs/dbraw/zinc/39/15/34/556391534.db2.gz KYNGKXMMPRDIPQ-UHFFFAOYSA-N 1 0 427.549 1.813 50 0 IDAARO C[NH+](C)CCN1C(=O)C[C@](CC(=O)N2CCCC[C@@H]2CCO)(c2ccccc2F)C1=O ZINC000012184518 556402663 /nfs/dbraw/zinc/40/26/63/556402663.db2.gz DNPVNJRZXHOCDH-UZUQRXQVSA-N 1 0 433.524 1.538 50 0 IDAARO NC(=O)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](C3Cc4ccccc4C3)CC2)C1=O ZINC000014536751 556423725 /nfs/dbraw/zinc/42/37/25/556423725.db2.gz SMPJJFHMMVKWRA-UHFFFAOYSA-N 1 0 446.551 1.981 50 0 IDAARO CC(=O)Nc1ccc(C[NH+]2CCC3(CC2)C(=O)N(CC(N)=O)C(=O)N3CCC(C)C)cc1 ZINC000014539545 556424935 /nfs/dbraw/zinc/42/49/35/556424935.db2.gz KAUVNXQPWMVPFL-UHFFFAOYSA-N 1 0 443.548 1.775 50 0 IDAARO Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@H]([NH2+]CCCN1CCOCC1)C2 ZINC000014742204 556439134 /nfs/dbraw/zinc/43/91/34/556439134.db2.gz YZNYNXUTCHSCCV-SFHVURJKSA-N 1 0 429.540 1.658 50 0 IDAARO CC(=O)NCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@H+](Cc2ccncc2)C1 ZINC000014742830 556439754 /nfs/dbraw/zinc/43/97/54/556439754.db2.gz PJYBQGIJEXHGCC-RBUKOAKNSA-N 1 0 441.507 1.550 50 0 IDAARO COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1cnn(C)c1)CC2 ZINC000014748941 556442660 /nfs/dbraw/zinc/44/26/60/556442660.db2.gz QYPZMBLIATWDRO-UHFFFAOYSA-N 1 0 425.533 1.908 50 0 IDAARO CCC[NH+]1CCN(CCCNC(=O)c2ccc(CN3c4ccnn4CCC3=O)cc2)CC1 ZINC000022937094 556452085 /nfs/dbraw/zinc/45/20/85/556452085.db2.gz YJOSHZTVQVEGCA-UHFFFAOYSA-N 1 0 438.576 1.968 50 0 IDAARO Cc1cc(C(=O)N2CCc3nnc([C@@H](CC(C)C)NC(=O)C[NH+](C)C)n3CC2)c(C)o1 ZINC000014959092 556463475 /nfs/dbraw/zinc/46/34/75/556463475.db2.gz OMPICKJKYJEFHB-GOSISDBHSA-N 1 0 430.553 1.951 50 0 IDAARO COc1ccc(OC)c(C[N@H+]2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)c1 ZINC000014965398 556465348 /nfs/dbraw/zinc/46/53/48/556465348.db2.gz SIBXKMDEJZXJFM-LJQANCHMSA-N 1 0 437.566 1.600 50 0 IDAARO O=C(CCCn1nnnc1CN1CCOCC1)NC[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000014971064 556467094 /nfs/dbraw/zinc/46/70/94/556467094.db2.gz HEHARTOYKFJCHC-OAQYLSRUSA-N 1 0 441.580 1.629 50 0 IDAARO CCOC(=O)N1CCC([N@H+]2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)CC1 ZINC000014984423 556471971 /nfs/dbraw/zinc/47/19/71/556471971.db2.gz OIKXTZIXXLQLRT-UHFFFAOYSA-N 1 0 446.596 1.996 50 0 IDAARO COc1ccc([C@@H](CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)[NH+]2CCCC2)cc1 ZINC000013120235 556472194 /nfs/dbraw/zinc/47/21/94/556472194.db2.gz ONUBROGZVVGHBZ-LJQANCHMSA-N 1 0 430.530 1.446 50 0 IDAARO Cc1cc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3Cc3ccccc3F)CC2)cc(C)[nH+]1 ZINC000015073964 556498104 /nfs/dbraw/zinc/49/81/04/556498104.db2.gz NGCZAGYTOGYLSM-QFIPXVFZSA-N 1 0 439.535 1.877 50 0 IDAARO CC[NH+]1CCN(CCNC(=O)CN2c3ccccc3-n3cccc3SCC2=O)CC1 ZINC000022937926 556510809 /nfs/dbraw/zinc/51/08/09/556510809.db2.gz GMWKJPZGPCJFPN-UHFFFAOYSA-N 1 0 427.574 1.670 50 0 IDAARO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)C[C@H](C)O1 ZINC000032899246 556530128 /nfs/dbraw/zinc/53/01/28/556530128.db2.gz IVDMUIJNAONTRO-CALCHBBNSA-N 1 0 435.546 1.987 50 0 IDAARO COc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)cc1OC ZINC000015671248 556542209 /nfs/dbraw/zinc/54/22/09/556542209.db2.gz DBEXEDXMRYSABY-UHFFFAOYSA-N 1 0 447.561 1.913 50 0 IDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000016024515 556575939 /nfs/dbraw/zinc/57/59/39/556575939.db2.gz OIKKBCRHDHEIBE-GBPOLFSSSA-N 1 0 439.899 1.950 50 0 IDAARO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC(=O)N(CCC(=O)OC)C[C@@H](OCc2ccncc2)C1 ZINC000039344691 556627725 /nfs/dbraw/zinc/62/77/25/556627725.db2.gz SCFNHEYYWHYDJK-UXHICEINSA-N 1 0 446.548 1.075 50 0 IDAARO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000409413144 556640423 /nfs/dbraw/zinc/64/04/23/556640423.db2.gz DKZSICJNZLBYGL-YLJYHZDGSA-N 1 0 428.533 1.842 50 0 biogenic IDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000100779333 556669517 /nfs/dbraw/zinc/66/95/17/556669517.db2.gz WDTCIIAPTUSGIT-UGCAPWQASA-N 1 0 444.491 1.777 50 0 biogenic IDAARO CC[NH+]1CCN(CCNC(=O)c2ccc(NC(=O)c3nnc(COC)s3)cc2)CC1 ZINC000033032151 556712150 /nfs/dbraw/zinc/71/21/50/556712150.db2.gz HALJIHHXWMTNOQ-UHFFFAOYSA-N 1 0 432.550 1.304 50 0 IDAARO COCCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(C)cc2C)c1 ZINC000033034097 556715795 /nfs/dbraw/zinc/71/57/95/556715795.db2.gz LAJIZDBBFDVPOL-UHFFFAOYSA-N 1 0 446.573 1.890 50 0 IDAARO COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)[NH+](C)C)cc1 ZINC000061721084 556728517 /nfs/dbraw/zinc/72/85/17/556728517.db2.gz JGKJBXKPKNJEKL-LJQANCHMSA-N 1 0 425.489 1.243 50 0 IDAARO Cn1c2nc(N3CC[NH+](Cc4ccccc4)CC3)n(Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000054263441 556729531 /nfs/dbraw/zinc/72/95/31/556729531.db2.gz YSEIUTKCFYNVNC-UHFFFAOYSA-N 1 0 444.539 1.804 50 0 IDAARO CCN(CC)S(=O)(=O)c1cccc(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000057995096 556751522 /nfs/dbraw/zinc/75/15/22/556751522.db2.gz LQAXQEGKKSHOMO-UHFFFAOYSA-N 1 0 445.589 1.794 50 0 IDAARO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C[NH2+]C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000058055699 556755849 /nfs/dbraw/zinc/75/58/49/556755849.db2.gz JIODJSMTHTYTTH-RTWAWAEBSA-N 1 0 432.590 1.850 50 0 IDAARO COc1cc(C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)ccc1OCC(N)=O ZINC000058223958 556773483 /nfs/dbraw/zinc/77/34/83/556773483.db2.gz KCCNFWGDOVFLMS-UHFFFAOYSA-N 1 0 440.500 1.589 50 0 IDAARO COc1ccc(NC(=O)c2nnc(CCC(=O)NCCCN3CC[NH+](C)CC3)s2)cc1 ZINC000033061848 556817566 /nfs/dbraw/zinc/81/75/66/556817566.db2.gz MSHOIVJVFQUQDX-UHFFFAOYSA-N 1 0 446.577 1.485 50 0 IDAARO COc1ccc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)c(OC)c1 ZINC000065362067 556834012 /nfs/dbraw/zinc/83/40/12/556834012.db2.gz XTFJIBYHOXVUNI-UHFFFAOYSA-N 1 0 447.561 1.913 50 0 IDAARO O=C(CN1CCCC1=O)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000019744379 556890751 /nfs/dbraw/zinc/89/07/51/556890751.db2.gz VQCDBWGWDAVEQC-IBGZPJMESA-N 1 0 428.533 1.146 50 0 IDAARO CCC[NH+]1CCN(CCCNC(=O)C2CCN(c3ccc(N4CCCC4)nn3)CC2)CC1 ZINC000033256144 556895184 /nfs/dbraw/zinc/89/51/84/556895184.db2.gz PRYLIBDOXMBASV-UHFFFAOYSA-N 1 0 443.640 1.827 50 0 IDAARO CC(C)[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(-c4cc[nH]n4)o3)C2)CC1 ZINC000033262285 556901769 /nfs/dbraw/zinc/90/17/69/556901769.db2.gz JXXFZKDCAQLYMW-MRXNPFEDSA-N 1 0 435.550 1.623 50 0 IDAARO CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(CC[NH+]4CCOCC4)CC3)C2=O)cc1 ZINC000019890135 556939351 /nfs/dbraw/zinc/93/93/51/556939351.db2.gz CFRCRZRCYHKJSS-NRFANRHFSA-N 1 0 443.544 1.930 50 0 IDAARO Cn1c2[nH]c(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)nc2c(=O)n(C)c1=O ZINC000019944103 556954274 /nfs/dbraw/zinc/95/42/74/556954274.db2.gz ZGTSIPIJNAONSM-UHFFFAOYSA-N 1 0 430.512 1.872 50 0 IDAARO COC(=O)[C@H](CN1CC[NH+](Cc2ccccc2)CC1)[C@@](O)(c1nccn1C)C(F)(F)F ZINC000097003101 556979037 /nfs/dbraw/zinc/97/90/37/556979037.db2.gz KWGYCQSTEKBKHR-FXAWDEMLSA-N 1 0 440.466 1.777 50 0 IDAARO C[NH+](C)CCN[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000022927364 557048865 /nfs/dbraw/zinc/04/88/65/557048865.db2.gz TUGSYRFFXODNRR-OAQYLSRUSA-N 1 0 446.573 1.539 50 0 IDAARO O=C(c1sccc1S(=O)(=O)N1CCOCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000048304186 557059231 /nfs/dbraw/zinc/05/92/31/557059231.db2.gz BYVDFAOYEMAZFI-UHFFFAOYSA-N 1 0 427.592 1.860 50 0 IDAARO COc1cccc(S(=O)(=O)N2CCN(c3nc(N4CCOCC4)cc(C)[nH+]3)CC2)c1 ZINC000082230271 557061488 /nfs/dbraw/zinc/06/14/88/557061488.db2.gz KUBUQMRMCUEVRB-UHFFFAOYSA-N 1 0 433.534 1.141 50 0 IDAARO COc1cc(=O)n2c(c1C(=O)N1CCC[C@H](O)C1)CC[N@@H+](Cc1sccc1C)CC2 ZINC000023129421 557066261 /nfs/dbraw/zinc/06/62/61/557066261.db2.gz VZPZZBJFPRNKCP-INIZCTEOSA-N 1 0 431.558 1.882 50 0 IDAARO CC1CC[NH+](CCNC(=O)c2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)CC1 ZINC000033292298 557070534 /nfs/dbraw/zinc/07/05/34/557070534.db2.gz BSQVVLKDZCACLF-UHFFFAOYSA-N 1 0 447.561 1.983 50 0 IDAARO CC[NH+]1CCN([C@H](CNC(=O)C(=O)NCCc2ccccc2OC)c2cccnc2)CC1 ZINC000023203164 557087418 /nfs/dbraw/zinc/08/74/18/557087418.db2.gz RQGIPKTWYKBRBJ-OAQYLSRUSA-N 1 0 439.560 1.244 50 0 IDAARO CSCC[C@@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]21 ZINC000247538435 557152201 /nfs/dbraw/zinc/15/22/01/557152201.db2.gz RHYOENXZKCWYKI-XKGKIKJVSA-N 1 0 449.960 1.993 50 0 IDAARO Cn1c2[nH]c(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)nc2c(=O)n(C)c1=O ZINC000095618540 557159632 /nfs/dbraw/zinc/15/96/32/557159632.db2.gz HVURILAUYRCZAV-UHFFFAOYSA-N 1 0 444.539 1.868 50 0 IDAARO CC(C)[NH+](CCNC(=O)c1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1)C(C)C ZINC000024838035 557172653 /nfs/dbraw/zinc/17/26/53/557172653.db2.gz OUNLSMJGLBVYQT-KRWDZBQOSA-N 1 0 445.607 1.001 50 0 IDAARO COC(=O)C[C@]12C(=O)NCC[N@H+]1[C@H](c1ccccc1)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 ZINC000100257901 557256052 /nfs/dbraw/zinc/25/60/52/557256052.db2.gz KSQBJQBUSNNORM-QDMVCWPOSA-N 1 0 447.491 1.589 50 0 IDAARO C[N@H+](CCCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)Cc1ccccc1 ZINC000032759775 557315253 /nfs/dbraw/zinc/31/52/53/557315253.db2.gz IQMVCQDJHOHYRS-UHFFFAOYSA-N 1 0 444.557 1.059 50 0 IDAARO COCCN1C(=O)N(CC(=O)OC)C(=O)C12CC[NH+](Cc1ccc3c(c1)CCO3)CC2 ZINC000014533801 557339601 /nfs/dbraw/zinc/33/96/01/557339601.db2.gz VFGSBCPTWKODEM-UHFFFAOYSA-N 1 0 431.489 1.040 50 0 IDAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)C1 ZINC000004876183 557400241 /nfs/dbraw/zinc/40/02/41/557400241.db2.gz NQWHUIQXBYUFSI-OALUTQOASA-N 1 0 426.561 1.992 50 0 IDAARO CC[NH+](CC)CCn1c(C)cn2c3c(nc21)n(C)c(=O)n(Cc1ccc(F)cc1)c3=O ZINC000004945236 557412634 /nfs/dbraw/zinc/41/26/34/557412634.db2.gz KQFQOANLZRYBTB-UHFFFAOYSA-N 1 0 426.496 1.987 50 0 IDAARO CC(C)[C@H](NC(=O)CCCCC[NH3+])C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000040367827 557414572 /nfs/dbraw/zinc/41/45/72/557414572.db2.gz UVMMSZZUYRHMOM-QFIPXVFZSA-N 1 0 432.565 1.719 50 0 IDAARO COCCN1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000247902709 557420151 /nfs/dbraw/zinc/42/01/51/557420151.db2.gz WDTCIIAPTUSGIT-UWHHFBIGSA-N 1 0 444.491 1.777 50 0 IDAARO COC(=O)C1=C(N)Oc2cc(C)n(CC[NH+](C)C)c(=O)c2[C@H]1c1ccc(OC)c(OC)c1 ZINC000012032611 557524389 /nfs/dbraw/zinc/52/43/89/557524389.db2.gz KCEADLKFXUPQSC-GOSISDBHSA-N 1 0 443.500 1.603 50 0 IDAARO COC(=O)C1=C(N)Oc2cc(C)n(CC[NH+](C)C)c(=O)c2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000012032610 557524483 /nfs/dbraw/zinc/52/44/83/557524483.db2.gz KCEADLKFXUPQSC-SFHVURJKSA-N 1 0 443.500 1.603 50 0 IDAARO COc1ccc(OC)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C2CCCC2)c1 ZINC000045944104 557552929 /nfs/dbraw/zinc/55/29/29/557552929.db2.gz KUJBDOIMXXVFJZ-UHFFFAOYSA-N 1 0 425.551 1.459 50 0 IDAARO CCCCCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cc(OC)ccc1OC ZINC000045944413 557553244 /nfs/dbraw/zinc/55/32/44/557553244.db2.gz OXOXWKYKEMUIEN-UHFFFAOYSA-N 1 0 427.567 1.707 50 0 IDAARO Cc1ccc(C)c(S(=O)(=O)N(CCCOC(C)C)CCC(=O)N2CC[NH2+]CC2)c1 ZINC000045944848 557553613 /nfs/dbraw/zinc/55/36/13/557553613.db2.gz DEPAGAWYXRTHBF-UHFFFAOYSA-N 1 0 425.595 1.931 50 0 IDAARO CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000040160186 557707230 /nfs/dbraw/zinc/70/72/30/557707230.db2.gz OZIOPLNTBCCQJJ-HXUWFJFHSA-N 1 0 441.594 1.996 50 0 IDAARO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)CC1 ZINC000225459311 557725276 /nfs/dbraw/zinc/72/52/76/557725276.db2.gz JTTBRRGIJWAMCM-SLYNCCJLSA-N 1 0 432.613 1.498 50 0 IDAARO COc1ccccc1N1CC[NH+](CCCNC(=O)c2nc3ccccc3n(C)c2=O)CC1 ZINC000033085858 568615054 /nfs/dbraw/zinc/61/50/54/568615054.db2.gz RZQZBEOTHMZFQM-UHFFFAOYSA-N 1 0 435.528 1.884 50 0 IDAARO Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccc(Br)o3)CC2)[nH+]1 ZINC000015671209 568802379 /nfs/dbraw/zinc/80/23/79/568802379.db2.gz FZFJMCNEIQJDKV-UHFFFAOYSA-N 1 0 436.310 1.940 50 0 IDAARO CC1=C(C(=O)NCCC[N@H+]2CCCC[C@H]2C)C2(CCN(S(C)(=O)=O)CC2)OC1=O ZINC000015731366 568814762 /nfs/dbraw/zinc/81/47/62/568814762.db2.gz XGWKCBNYYDWUJG-OAHLLOKOSA-N 1 0 427.567 1.035 50 0 biogenic IDAARO CC1=C(C(=O)NCCC[N@@H+](C)C2CCCCC2)C2(CCN(S(C)(=O)=O)CC2)OC1=O ZINC000015731371 568814805 /nfs/dbraw/zinc/81/48/05/568814805.db2.gz AKNAEBZSBFFWGL-UHFFFAOYSA-N 1 0 441.594 1.425 50 0 biogenic IDAARO CC1=C(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)C2(CCN(S(C)(=O)=O)CC2)OC1=O ZINC000015731367 568814910 /nfs/dbraw/zinc/81/49/10/568814910.db2.gz XGWKCBNYYDWUJG-HNNXBMFYSA-N 1 0 427.567 1.035 50 0 biogenic IDAARO CCN(CC)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)NCC[NH+]1CCCC1)N2C(C)=O ZINC000015776015 568823628 /nfs/dbraw/zinc/82/36/28/568823628.db2.gz IXIBOVWJHPPIER-FQEVSTJZSA-N 1 0 436.578 1.207 50 0 IDAARO O=C(CCC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000043746991 568896717 /nfs/dbraw/zinc/89/67/17/568896717.db2.gz GHPGYLQPBJKRLB-ANULTFPQSA-N 1 0 440.588 1.955 50 0 IDAARO O=C1Nc2ccccc2[C@@]12[NH2+][C@@H](Cc1ccccc1)[C@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000138225745 568941764 /nfs/dbraw/zinc/94/17/64/568941764.db2.gz QWTPFGWYUWQUJX-JFPHOSBPSA-N 1 0 431.492 1.829 50 0 IDAARO CCn1c2c(C(=O)NC[C@H]3CCCO3)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2 ZINC000064835859 568968967 /nfs/dbraw/zinc/96/89/67/568968967.db2.gz LBADFSSVVKVLDJ-GOSISDBHSA-N 1 0 435.528 1.983 50 0 IDAARO CCn1c2c(C(=O)Nc3cc(OC)c(OC)c(OC)c3)cnn2c(=O)c2c1CC[N@H+](C)C2 ZINC000064836013 568969232 /nfs/dbraw/zinc/96/92/32/568969232.db2.gz KBULBSOIEBKUNE-UHFFFAOYSA-N 1 0 441.488 1.782 50 0 IDAARO COCCN(C[C@H]1CN(C[C@@H](O)C[NH+]2CCCCC2)CCO1)C(=O)c1ccc(OC)cc1 ZINC000169680617 568991867 /nfs/dbraw/zinc/99/18/67/568991867.db2.gz GDARETBOYCSOJZ-JTHBVZDNSA-N 1 0 449.592 1.331 50 0 IDAARO CNC(=O)c1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025284 569090640 /nfs/dbraw/zinc/09/06/40/569090640.db2.gz KVGQOOFAGXMJRZ-UHFFFAOYSA-N 1 0 431.562 1.949 50 0 IDAARO Cn1c2c(ccn2CC(=O)NCC2CC[NH+](Cc3cccc(F)c3)CC2)c(=O)n(C)c1=O ZINC000065031031 569091320 /nfs/dbraw/zinc/09/13/20/569091320.db2.gz DCPVAYFESYHKIE-UHFFFAOYSA-N 1 0 441.507 1.206 50 0 IDAARO C[C@@H](C(=O)NCCCN1CC[NH+](C)CC1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000065061859 569096839 /nfs/dbraw/zinc/09/68/39/569096839.db2.gz WUBGXWGWSKWSKG-QGZVFWFLSA-N 1 0 442.651 1.539 50 0 IDAARO CN1c2cc(C(=O)N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)ccc2C(=O)N2CCC[C@@H]21 ZINC000169765922 569096844 /nfs/dbraw/zinc/09/68/44/569096844.db2.gz PIPUIHFGDJIIJO-HXUWFJFHSA-N 1 0 439.560 1.645 50 0 IDAARO O=C(CC1(Cn2cnnn2)CCCCC1)NCC[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000524730649 569126091 /nfs/dbraw/zinc/12/60/91/569126091.db2.gz RBRHGBXJMGKPOQ-MOPGFXCFSA-N 1 0 439.564 1.411 50 0 biogenic IDAARO COCCn1c(C)cc(C)c(C(=O)NCC[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1=O ZINC000524732229 569126800 /nfs/dbraw/zinc/12/68/00/569126800.db2.gz QPAHIROEGSKMGT-MOPGFXCFSA-N 1 0 440.544 1.122 50 0 biogenic IDAARO CCC[NH+]1CCN(CCNC(=O)c2nc3csc(C)c3c(N3CCOCC3)n2)CC1 ZINC000065283344 569130131 /nfs/dbraw/zinc/13/01/31/569130131.db2.gz HVSXPPVVFPVVKR-UHFFFAOYSA-N 1 0 432.594 1.594 50 0 IDAARO CC[NH+]1CCN(CCNC(=O)c2nc3csc(C)c3c(N3CCSCC3)n2)CC1 ZINC000065283431 569130165 /nfs/dbraw/zinc/13/01/65/569130165.db2.gz BZHINQTUVLDQFK-UHFFFAOYSA-N 1 0 434.635 1.920 50 0 IDAARO O=S(=O)(CCNC(=S)Nc1ccc(F)cc1F)N1CCN(c2ccccn2)CC1 ZINC000036847253 569138458 /nfs/dbraw/zinc/13/84/58/569138458.db2.gz XQPYOEDVUOUGTD-UHFFFAOYSA-N 1 0 441.529 1.798 50 0 IDAARO COC(=O)C(C)(C)NC(=O)C(=O)Nc1c(C)cnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000170617149 569147107 /nfs/dbraw/zinc/14/71/07/569147107.db2.gz XNOVKDYEGNAJKW-KRWDZBQOSA-N 1 0 427.505 1.645 50 0 IDAARO COc1ccc(S(=O)(=O)N2CCN(c3nc(N4CCOCC4)cc(C)[nH+]3)CC2)cc1C ZINC000017011287 569170488 /nfs/dbraw/zinc/17/04/88/569170488.db2.gz DUJKDCLUVPZCTG-UHFFFAOYSA-N 1 0 447.561 1.450 50 0 IDAARO O=C(CCC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253529912 569283806 /nfs/dbraw/zinc/28/38/06/569283806.db2.gz GHPGYLQPBJKRLB-MXEMCNAFSA-N 1 0 440.588 1.955 50 0 IDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 ZINC000020103564 569334100 /nfs/dbraw/zinc/33/41/00/569334100.db2.gz YDURXHGKEAEOLA-HNNXBMFYSA-N 1 0 445.589 1.444 50 0 IDAARO Cc1ccccc1[C@@H](O)CNC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000095404914 569364337 /nfs/dbraw/zinc/36/43/37/569364337.db2.gz APGXSNQTSZPGJG-QFIPXVFZSA-N 1 0 440.544 1.410 50 0 IDAARO CCCNC(=O)CN(C)C(=O)C[N@H+](CCN1CCN(c2cccc(C)c2)CC1)CC1CC1 ZINC000095456043 569368736 /nfs/dbraw/zinc/36/87/36/569368736.db2.gz UTFQHULJJZIBME-UHFFFAOYSA-N 1 0 443.636 1.814 50 0 IDAARO C[C@@H](CNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1)C[NH+]1CCN(C)CC1 ZINC000095461381 569369823 /nfs/dbraw/zinc/36/98/23/569369823.db2.gz UXHFBKZYIUTTAT-KRWDZBQOSA-N 1 0 441.580 1.503 50 0 IDAARO CC(=O)NCc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)s1 ZINC000095462008 569369987 /nfs/dbraw/zinc/36/99/87/569369987.db2.gz WIZHJRWAKVRYFF-UHFFFAOYSA-N 1 0 437.587 1.819 50 0 IDAARO Cn1c(C[NH+]2CCCCC2)cc(=O)c(O)c1CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000095479079 569373736 /nfs/dbraw/zinc/37/37/36/569373736.db2.gz QFZACRGZLMEYKQ-UHFFFAOYSA-N 1 0 426.443 1.703 50 0 IDAARO O=C(NCc1nn(CC[NH+]2CCCC2)c(=O)c2ccccc12)c1cccc(-n2cnnn2)c1 ZINC000096024203 569380509 /nfs/dbraw/zinc/38/05/09/569380509.db2.gz ZSZYNRNMHGOCTJ-UHFFFAOYSA-N 1 0 444.499 1.398 50 0 IDAARO CCOC(Cn1cc(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)nn1)OCC ZINC000058265838 569452026 /nfs/dbraw/zinc/45/20/26/569452026.db2.gz PHVZFZWMHMNPCH-UHFFFAOYSA-N 1 0 444.580 1.615 50 0 IDAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C1CCN(c2ccc3nncn3n2)CC1 ZINC000032065103 569459070 /nfs/dbraw/zinc/45/90/70/569459070.db2.gz NEGMAFAMTXSESP-UHFFFAOYSA-N 1 0 448.575 1.275 50 0 IDAARO CCOC(=O)C1=C(CN2CCC[N@H+](C)CC2)NC(=O)N[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000067286774 569467139 /nfs/dbraw/zinc/46/71/39/569467139.db2.gz XRVQRFKETQAWTG-OAQYLSRUSA-N 1 0 446.548 1.903 50 0 IDAARO COc1ccccc1-n1c(C)cn2c1nc1c2c(=O)n(CC[NH+]2CCCCC2)c(=O)n1C ZINC000008710210 569470853 /nfs/dbraw/zinc/47/08/53/569470853.db2.gz QEKWHCSPZCXHOD-UHFFFAOYSA-N 1 0 436.516 1.942 50 0 IDAARO COc1cc(OC)cc(C(=O)N[C@@H](C)C(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)c1 ZINC000008764806 569474703 /nfs/dbraw/zinc/47/47/03/569474703.db2.gz RHDWFVXQJNVKSQ-AWEZNQCLSA-N 1 0 427.505 1.209 50 0 biogenic IDAARO COc1ccccc1-c1nc(SCC[NH+]2CCCC2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000008900211 569484128 /nfs/dbraw/zinc/48/41/28/569484128.db2.gz GPDULBXNFXMPLW-UHFFFAOYSA-N 1 0 427.530 1.891 50 0 IDAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000245276310 569501924 /nfs/dbraw/zinc/50/19/24/569501924.db2.gz SHOAIAUCXSOOOZ-QRVBRYPASA-N 1 0 430.615 1.045 50 0 IDAARO C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCCN2C2=NS(=O)(=O)c3ccccc32)cc1 ZINC000009455094 569536737 /nfs/dbraw/zinc/53/67/37/569536737.db2.gz YHTUAQFLIKCILN-IBGZPJMESA-N 1 0 426.542 1.978 50 0 IDAARO CCCC[N@H+](C)CCNC(=O)CCCCCn1c(=O)[nH]c2cc(C(=O)OC)ccc2c1=O ZINC000009589688 569550025 /nfs/dbraw/zinc/55/00/25/569550025.db2.gz OUQJHDLLUWEJAT-UHFFFAOYSA-N 1 0 446.548 1.885 50 0 IDAARO CCCn1c(N)c(N(CCOC)C(=O)C[N@H+](C)[C@H]2CCCc3ccccc32)c(=O)[nH]c1=O ZINC000009602925 569551741 /nfs/dbraw/zinc/55/17/41/569551741.db2.gz KXTCPFZUAXHJSG-SFHVURJKSA-N 1 0 443.548 1.518 50 0 IDAARO CC[NH+](CC)CCCNC(=O)CCCNC(=O)Cn1cnc2sc(C)c(C)c2c1=O ZINC000009775717 569566999 /nfs/dbraw/zinc/56/69/99/569566999.db2.gz VXXJDJNNUCXZKH-UHFFFAOYSA-N 1 0 435.594 1.819 50 0 IDAARO C[NH+](C)CCNC(=O)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 ZINC000009829573 132241668 /nfs/dbraw/zinc/24/16/68/132241668.db2.gz YZXWWFJBVNDXAB-IBGZPJMESA-N 1 0 431.512 1.076 50 0 IDAARO Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000009763939 132244332 /nfs/dbraw/zinc/24/43/32/132244332.db2.gz VPRRYIYTMCPRAA-UHFFFAOYSA-N 1 0 439.495 1.336 50 0 IDAARO CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000021022270 519639041 /nfs/dbraw/zinc/63/90/41/519639041.db2.gz CDLGOYCLXIPIBJ-NRFANRHFSA-N 1 0 448.589 1.351 50 0 IDAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000012930565 519729960 /nfs/dbraw/zinc/72/99/60/519729960.db2.gz ZRPDKVNRRKXEGN-KRWDZBQOSA-N 1 0 442.557 1.198 50 0 IDAARO CCC[NH+]1CCC(NC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(OC)c(OC)c2)CC1 ZINC000011934189 519844928 /nfs/dbraw/zinc/84/49/28/519844928.db2.gz SDXGTIYOGVZTDL-IBGZPJMESA-N 1 0 432.565 1.385 50 0 IDAARO CCC[NH+]1CCN(CCCNC(=O)[C@H](NS(=O)(=O)c2cccs2)C(C)C)CC1 ZINC000021052387 519858010 /nfs/dbraw/zinc/85/80/10/519858010.db2.gz KCCSYHWOQFSEPA-GOSISDBHSA-N 1 0 430.640 1.585 50 0 IDAARO CC[NH+](CC)CCCNC(=O)Cn1nc(C)n2nc(-c3ccc(OC)cc3)cc2c1=O ZINC000021807897 520611692 /nfs/dbraw/zinc/61/16/92/520611692.db2.gz RODQDFYTWXPFOG-UHFFFAOYSA-N 1 0 426.521 1.723 50 0 IDAARO CC[NH+](CC)CCNC(=O)CN1c2cc(C(=O)N(C)C)ccc2N2CCCC[C@H]2C1=O ZINC000021942025 520669728 /nfs/dbraw/zinc/66/97/28/520669728.db2.gz OMCGQTAQIDMUEA-IBGZPJMESA-N 1 0 429.565 1.552 50 0 IDAARO CC[NH+](CC)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1cccc(C)c1 ZINC000020480058 520691272 /nfs/dbraw/zinc/69/12/72/520691272.db2.gz GKVYMERXYGBXIW-INIZCTEOSA-N 1 0 444.536 1.338 50 0 IDAARO CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000020542397 520977067 /nfs/dbraw/zinc/97/70/67/520977067.db2.gz SDOKHPGIDUYGGF-JOCHJYFZSA-N 1 0 428.577 1.863 50 0 IDAARO CC1CCN(S(=O)(=O)c2cn(CC(=O)N3CCC([NH+]4CCCCC4)CC3)cn2)CC1 ZINC000015767073 521034127 /nfs/dbraw/zinc/03/41/27/521034127.db2.gz GEBAQKCYTALOLX-UHFFFAOYSA-N 1 0 437.610 1.781 50 0 IDAARO CC[NH+]1CCC(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(OC)c(C)c2)CC1 ZINC000012431241 521545201 /nfs/dbraw/zinc/54/52/01/521545201.db2.gz WCPHGAMOZPRRIU-NRFANRHFSA-N 1 0 430.593 1.932 50 0 IDAARO CCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(CC[NH+]1CCCCC1)c(=O)n2C ZINC000012518118 521612882 /nfs/dbraw/zinc/61/28/82/521612882.db2.gz TVCUUAXOGFGVOR-UHFFFAOYSA-N 1 0 427.553 1.904 50 0 IDAARO CCC[NH+](CCC)CCCNC(=O)CNC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000020681691 521644907 /nfs/dbraw/zinc/64/49/07/521644907.db2.gz QUJSJKAOXUGHIE-MOPGFXCFSA-N 1 0 447.649 1.770 50 0 IDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CN1c2cc(C(=O)N(C)C)ccc2N2CCCC[C@H]2C1=O ZINC000021942090 521654620 /nfs/dbraw/zinc/65/46/20/521654620.db2.gz QHXZUIGRIJFLNR-ICSRJNTNSA-N 1 0 441.576 1.694 50 0 IDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1nn(CCOC)c2c1CN(Cc1ccncc1)CC2 ZINC000020601223 521657300 /nfs/dbraw/zinc/65/73/00/521657300.db2.gz OHZSCKLVRPQPSU-IBGZPJMESA-N 1 0 426.565 1.697 50 0 IDAARO CC[NH+]1CCN(CCCNC(=O)[C@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)CC1 ZINC000020466596 521680787 /nfs/dbraw/zinc/68/07/87/521680787.db2.gz NXYWJBPZFLAVOL-KRWDZBQOSA-N 1 0 449.625 1.025 50 0 IDAARO COC[C@H]1CCCN(C(=O)C[C@]2(c3ccccc3F)CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000012166524 522825963 /nfs/dbraw/zinc/82/59/63/522825963.db2.gz WIMWKHGBFMDMTC-GAJHUEQPSA-N 1 0 433.524 1.659 50 0 IDAARO COc1ccc(-c2c3c(cn2CCC[NH+]2CCOCC2)n(C)c(=O)n(C)c3=O)cc1OC ZINC000020733805 523081357 /nfs/dbraw/zinc/08/13/57/523081357.db2.gz WPSRXEYTZIKZED-UHFFFAOYSA-N 1 0 442.516 1.445 50 0 IDAARO CN1C(=O)c2cc(C(=O)NCCC[NH+]3CCCCC3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021874375 523727593 /nfs/dbraw/zinc/72/75/93/523727593.db2.gz YRMQCIRPCNVCFG-HSZRJFAPSA-N 1 0 444.580 1.392 50 0 IDAARO CCc1cc(CC)n(-c2nc3c(c(=O)n(CC[NH+]4CCCCC4)c(=O)n3C)n2CC)n1 ZINC000012518907 523785782 /nfs/dbraw/zinc/78/57/82/523785782.db2.gz ZUVSVRYZFYVSCE-UHFFFAOYSA-N 1 0 427.553 1.713 50 0 IDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2c1cc(C)cc2C ZINC000020566237 523808196 /nfs/dbraw/zinc/80/81/96/523808196.db2.gz AFTUVLJUYFUBFM-PBQROFAYSA-N 1 0 449.507 1.619 50 0 IDAARO C[NH+]1CCN(CCCNC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)CC1 ZINC000033031736 523896429 /nfs/dbraw/zinc/89/64/29/523896429.db2.gz NYOXOFPUZUVHQP-UHFFFAOYSA-N 1 0 427.524 1.927 50 0 IDAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)c2ccc(F)cc2)CC1 ZINC000022796285 523920026 /nfs/dbraw/zinc/92/00/26/523920026.db2.gz WKSGSOABYULWHO-LJQANCHMSA-N 1 0 442.491 1.640 50 0 IDAARO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)cn2)CC1 ZINC000022416438 523927101 /nfs/dbraw/zinc/92/71/01/523927101.db2.gz DVQGJCZXTCSAFW-LJQANCHMSA-N 1 0 447.536 1.764 50 0 IDAARO COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022795787 524044866 /nfs/dbraw/zinc/04/48/66/524044866.db2.gz WUUJBSUZZFNYQT-OAQYLSRUSA-N 1 0 428.508 1.555 50 0 IDAARO COc1ccc(OC)c(NC(=O)C(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)c1 ZINC000022766157 524845460 /nfs/dbraw/zinc/84/54/60/524845460.db2.gz HYCXSWXRFOHZNW-SFHVURJKSA-N 1 0 432.546 1.809 50 0 IDAARO Cc1cc(N2CC[NH+](CCC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)nc(C(C)C)n1 ZINC000022199955 525080317 /nfs/dbraw/zinc/08/03/17/525080317.db2.gz FKDKOOSHOZLJAE-UHFFFAOYSA-N 1 0 446.577 1.707 50 0 IDAARO Cc1cc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)nc(N2CCOCC2)[nH+]1 ZINC000035477285 525081512 /nfs/dbraw/zinc/08/15/12/525081512.db2.gz NSPUWBVRNMAQPS-UHFFFAOYSA-N 1 0 439.488 1.411 50 0 IDAARO COc1ccc([C@H](CNC(=O)C(=O)NCc2ccccc2OC)N2CC[NH+](C)CC2)cc1 ZINC000022795346 525355489 /nfs/dbraw/zinc/35/54/89/525355489.db2.gz ONOACHZNVOKZAT-NRFANRHFSA-N 1 0 440.544 1.425 50 0 IDAARO O=C(CCN(CCCN1CCOCC1)C(=O)c1ccc(F)c(Cl)c1)N1CC[NH2+]CC1 ZINC000035421588 526473714 /nfs/dbraw/zinc/47/37/14/526473714.db2.gz FBIQFBPSIBTGQD-UHFFFAOYSA-N 1 0 440.947 1.466 50 0 IDAARO Cc1nc(N2CCOCC2)ncc1-c1cc(=O)[nH]c(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000022607757 526971143 /nfs/dbraw/zinc/97/11/43/526971143.db2.gz XMDDEGDXGHYODN-UHFFFAOYSA-N 1 0 447.543 1.694 50 0 IDAARO Cn1c2c(nc1N1CC[NH+](C(c3ccccc3)c3ccccc3)CC1)n(C)c(=O)[nH]c2=O ZINC000020588689 527092164 /nfs/dbraw/zinc/09/21/64/527092164.db2.gz LDNGXOJWSVZYJH-UHFFFAOYSA-N 1 0 430.512 1.872 50 0 IDAARO Cn1c2sc(C(=O)NCCCN3CCC([NH+]4CCCCC4)CC3)cc2c(=O)n(C)c1=O ZINC000035426793 527127279 /nfs/dbraw/zinc/12/72/79/527127279.db2.gz HKAZTRNIPFFCMY-UHFFFAOYSA-N 1 0 447.605 1.369 50 0 IDAARO NS(=O)(=O)c1ccc(NC(=O)CC[NH+]2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000022199783 527314476 /nfs/dbraw/zinc/31/44/76/527314476.db2.gz FWPUATVYDSJXFT-UHFFFAOYSA-N 1 0 444.557 1.415 50 0 IDAARO O=C(Cn1nnnc1CN1CCc2ccccc2C1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012303966 527432012 /nfs/dbraw/zinc/43/20/12/527432012.db2.gz GNFHJSVLZFTRKB-QFIPXVFZSA-N 1 0 431.544 1.622 50 0 IDAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ncccn3)CC2)=[NH+][C@@H]1c1ccc(Cl)cc1 ZINC000009420273 535502285 /nfs/dbraw/zinc/50/22/85/535502285.db2.gz VRQWTZKZHQYQGM-DLBZAZTESA-N 1 0 442.907 1.658 50 0 IDAARO CC[NH+](CC)C[C@@H](O)CN1CCN(Cc2nc(C(=O)Nc3ccc(F)cc3)co2)CC1 ZINC000034677165 555795324 /nfs/dbraw/zinc/79/53/24/555795324.db2.gz ZISVWESEJVSZPG-LJQANCHMSA-N 1 0 433.528 1.886 50 0 IDAARO CC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)co2)CC1 ZINC000034677705 555796138 /nfs/dbraw/zinc/79/61/38/555796138.db2.gz UEERWFOAPKLJQI-HXUWFJFHSA-N 1 0 445.539 1.665 50 0 IDAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1cc(=O)n(C)c(=O)n1C ZINC000011873081 556369542 /nfs/dbraw/zinc/36/95/42/556369542.db2.gz CKIOHWMCJQICIS-SFHVURJKSA-N 1 0 430.524 1.640 50 0 IDAARO CN(C)S(=O)(=O)N1CCC(Oc2ccc(C(=O)NCC[NH+]3CCCCC3)cc2)CC1 ZINC000012073249 556396559 /nfs/dbraw/zinc/39/65/59/556396559.db2.gz NJWOGZMPIBUKNF-UHFFFAOYSA-N 1 0 438.594 1.552 50 0 IDAARO C[NH+](C)CCN1C(=O)C[C@@](CC(=O)N2CCCC[C@@H]2CCO)(c2ccccc2F)C1=O ZINC000012184516 556402762 /nfs/dbraw/zinc/40/27/62/556402762.db2.gz DNPVNJRZXHOCDH-HXOBKFHXSA-N 1 0 433.524 1.538 50 0 IDAARO C[NH+](C)CCN1C(=O)C[C@@](CC(=O)N2CCCC[C@H]2CCO)(c2ccccc2F)C1=O ZINC000012184519 556402783 /nfs/dbraw/zinc/40/27/83/556402783.db2.gz DNPVNJRZXHOCDH-SBUREZEXSA-N 1 0 433.524 1.538 50 0 IDAARO NC(=O)[C@@H]1CCCN1Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21 ZINC000012306939 556403344 /nfs/dbraw/zinc/40/33/44/556403344.db2.gz PFUPLTAAIHVCGY-IBGZPJMESA-N 1 0 438.576 1.875 50 0 IDAARO [NH3+]CCCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3c(Cl)cccc3Cl)CN2C1=O ZINC000014543018 556426481 /nfs/dbraw/zinc/42/64/81/556426481.db2.gz XFGDPQNFPXAWKI-BPNCWPANSA-N 1 0 428.320 1.712 50 0 IDAARO CCN(CC)C(=O)CO[C@H]1CN(Cc2ncc[nH]2)CC(=O)N(Cc2ccc(OC)cc2)C1 ZINC000014748495 556442394 /nfs/dbraw/zinc/44/23/94/556442394.db2.gz TWAXBLKFEQBZCF-FQEVSTJZSA-N 1 0 443.548 1.516 50 0 IDAARO C[NH+]1CCN(CCNC(=O)CCCN2C(=O)[C@H](c3ccccc3)Oc3cccnc32)CC1 ZINC000022936469 556445381 /nfs/dbraw/zinc/44/53/81/556445381.db2.gz JFKWUPFXWBLFQH-QFIPXVFZSA-N 1 0 437.544 1.692 50 0 IDAARO COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C(C)C)c1 ZINC000072272930 556445775 /nfs/dbraw/zinc/44/57/75/556445775.db2.gz XQWKUYPBRVWAEF-DYESRHJHSA-N 1 0 434.581 1.458 50 0 IDAARO COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C(C)C)c1 ZINC000072272932 556445975 /nfs/dbraw/zinc/44/59/75/556445975.db2.gz XQWKUYPBRVWAEF-LAUBAEHRSA-N 1 0 434.581 1.458 50 0 IDAARO CCN(Cc1ccc(Br)s1)C(=O)CN1CCC(NS(C)(=O)=O)CC1 ZINC000032865307 556450416 /nfs/dbraw/zinc/45/04/16/556450416.db2.gz NVGGJKYJWFEDHG-UHFFFAOYSA-N 1 0 438.413 1.873 50 0 IDAARO COc1ccc(OC)c(C[N@H+]2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)c1 ZINC000014879886 556453240 /nfs/dbraw/zinc/45/32/40/556453240.db2.gz SDOHZFARJPHOOE-UHFFFAOYSA-N 1 0 425.489 1.919 50 0 IDAARO COc1ccc(C[N@H+]2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1OC ZINC000014880516 556453377 /nfs/dbraw/zinc/45/33/77/556453377.db2.gz WKNJKKABQQEAKZ-LJQANCHMSA-N 1 0 437.566 1.600 50 0 IDAARO Cc1ccnc(S[C@@H]2C[C@@H](C(=O)NCC[NH+](C)C)N(Cc3ccc4c(c3)OCO4)C2)n1 ZINC000014885440 556455073 /nfs/dbraw/zinc/45/50/73/556455073.db2.gz YIWBYJMGKBNPSM-MSOLQXFVSA-N 1 0 443.573 1.927 50 0 IDAARO NS(=O)(=O)c1cccc(NC(=O)CC[NH+]2CCN(CCOc3ccccc3)CC2)c1 ZINC000028883752 556463158 /nfs/dbraw/zinc/46/31/58/556463158.db2.gz GXIPLAHINPCUKE-UHFFFAOYSA-N 1 0 432.546 1.359 50 0 IDAARO O=C(CCCn1nnnc1CN1CCOCC1)NC[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000014971069 556467137 /nfs/dbraw/zinc/46/71/37/556467137.db2.gz 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1.932 50 0 IDAARO CCN1c2ccc(Br)cc2[C@@H](NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CC)C1=O ZINC000013624071 556536526 /nfs/dbraw/zinc/53/65/26/556536526.db2.gz PLBGGYHBAOLZIC-XJKSGUPXSA-N 1 0 437.338 1.573 50 0 IDAARO NC(=O)CC[C@H]1[NH2+][C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000016009748 556573694 /nfs/dbraw/zinc/57/36/94/556573694.db2.gz PXGZMBIMSTYNMD-YQYRJILISA-N 1 0 436.443 1.012 50 0 IDAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)[NH2+][C@]21C(=O)Nc2ccc(F)cc21 ZINC000016022183 556575662 /nfs/dbraw/zinc/57/56/62/556575662.db2.gz SCWXIHJWDBJOSQ-VKDGWMQASA-N 1 0 437.471 1.825 50 0 IDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@@]21c2ccc(C)c(C)c2NC1=O ZINC000016024856 556576278 /nfs/dbraw/zinc/57/62/78/556576278.db2.gz BKZUKLLYKBUEHA-PUFAWVJESA-N 1 0 433.508 1.913 50 0 IDAARO CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCC(C)(C)N2CCOCC2)c1 ZINC000032971746 556589639 /nfs/dbraw/zinc/58/96/39/556589639.db2.gz PYUIMMJNWDCUDL-UHFFFAOYSA-N 1 0 438.594 1.378 50 0 IDAARO COc1ccc(NC(=O)c2nnc(CCCC(=O)NCCN3CC[NH+](C)CC3)s2)cc1 ZINC000032987821 556608157 /nfs/dbraw/zinc/60/81/57/556608157.db2.gz BBRPUKDXDAXJCO-UHFFFAOYSA-N 1 0 446.577 1.485 50 0 IDAARO C[NH+]1CCN(CCCNC(=O)CCCc2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000032995309 556610412 /nfs/dbraw/zinc/61/04/12/556610412.db2.gz VCGGJWGNCHSMPH-UHFFFAOYSA-N 1 0 430.578 1.867 50 0 IDAARO Cc1ccccc1NC(=O)c1nnc(CCCC(=O)NCCN2CC[NH+](C)CC2)s1 ZINC000032995387 556610440 /nfs/dbraw/zinc/61/04/40/556610440.db2.gz XKPCFQZZHJABOH-UHFFFAOYSA-N 1 0 430.578 1.785 50 0 IDAARO COCCN(CCC[NH+](C)C)C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000032923974 556648487 /nfs/dbraw/zinc/64/84/87/556648487.db2.gz HQPCFUPOPMBECS-HDICACEKSA-N 1 0 441.594 1.525 50 0 IDAARO CCC[NH+]1CCC(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000017095090 556658349 /nfs/dbraw/zinc/65/83/49/556658349.db2.gz XGLQRTOPXXOHMK-UHFFFAOYSA-N 1 0 426.608 1.868 50 0 IDAARO O=S(=O)(NC[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1cc(Cl)sc1Cl ZINC000032929521 556671941 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PLBGGYHBAOLZIC-CJNGLKHVSA-N 1 0 437.338 1.573 50 0 IDAARO COC(=O)c1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)cc1 ZINC000019299924 556734933 /nfs/dbraw/zinc/73/49/33/556734933.db2.gz UXPZKQNFJVGRBL-MRXNPFEDSA-N 1 0 441.532 1.727 50 0 IDAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)N4CCC(C(N)=O)CC4)c(C)c32)CC1 ZINC000033048458 556744964 /nfs/dbraw/zinc/74/49/64/556744964.db2.gz IDLMSLSNSFBQBF-UHFFFAOYSA-N 1 0 430.578 1.869 50 0 IDAARO CC1(C)CC(NC(=O)C[C@H]2NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)CC(C)(C)[NH2+]1 ZINC000206237930 556749265 /nfs/dbraw/zinc/74/92/65/556749265.db2.gz GKZJFCZSNKWRGI-OAHLLOKOSA-N 1 0 430.505 1.651 50 0 IDAARO C[C@@H](CC[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCC(N2CCNC2=O)CC1 ZINC000058174529 556769211 /nfs/dbraw/zinc/76/92/11/556769211.db2.gz INDBKPQYKFCJOA-IBGZPJMESA-N 1 0 428.581 1.786 50 0 IDAARO COc1ccc([C@H](CNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)[NH+]2CCCC2)cc1 ZINC000058266652 556776791 /nfs/dbraw/zinc/77/67/91/556776791.db2.gz YBZLABOYNVVDJS-IBGZPJMESA-N 1 0 449.577 1.359 50 0 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CCOc1cc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)CCOC)n3CC2)ccc1OC ZINC000023128839 557065861 /nfs/dbraw/zinc/06/58/61/557065861.db2.gz VBBFJSDCANRPDZ-INIZCTEOSA-N 1 0 431.537 1.957 50 0 IDAARO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)cc2)CC1 ZINC000023134202 557066690 /nfs/dbraw/zinc/06/66/90/557066690.db2.gz VURAOCQTZJTQKQ-UHFFFAOYSA-N 1 0 444.557 1.712 50 0 IDAARO O=C(NCCC[NH+]1CCCC1)c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1 ZINC000033292294 557070515 /nfs/dbraw/zinc/07/05/15/557070515.db2.gz PUZFSGJHETYATQ-UHFFFAOYSA-N 1 0 433.534 1.737 50 0 IDAARO CC[NH+]1CCN([C@@H](CNC(=O)C(=O)NCCc2ccccc2OC)c2cccnc2)CC1 ZINC000023203163 557087367 /nfs/dbraw/zinc/08/73/67/557087367.db2.gz RQGIPKTWYKBRBJ-NRFANRHFSA-N 1 0 439.560 1.244 50 0 IDAARO Cc1c(C)n2c(nc3c2c(=O)n(Cc2ccc(F)cc2)c(=O)n3C)n1CCC[NH+](C)C ZINC000008706188 557121193 /nfs/dbraw/zinc/12/11/93/557121193.db2.gz WFYIHVFDJGCAPU-UHFFFAOYSA-N 1 0 426.496 1.905 50 0 IDAARO COc1ccc(CN2C(=O)C[C@H](N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)C2=O)cc1 ZINC000101716039 557295236 /nfs/dbraw/zinc/29/52/36/557295236.db2.gz SUGIJCLEYOLNNH-IBGZPJMESA-N 1 0 428.533 1.129 50 0 IDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O ZINC000223233468 557449162 /nfs/dbraw/zinc/44/91/62/557449162.db2.gz REEHNPYPCPJVNR-IAGOWNOFSA-N 1 0 432.521 1.505 50 0 IDAARO C[C@H](O)[C@@H]1N[C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000105345469 557495390 /nfs/dbraw/zinc/49/53/90/557495390.db2.gz PWWIMLJAYVPOBC-MPHVSXRFSA-N 1 0 443.862 1.781 50 0 IDAARO C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCc3ccccc3[C@H]2CO)C1=O ZINC000107154004 557535084 /nfs/dbraw/zinc/53/50/84/557535084.db2.gz UYOUVTFSCXSZLS-YKSBVNFPSA-N 1 0 436.512 1.553 50 0 IDAARO O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000108485176 557543055 /nfs/dbraw/zinc/54/30/55/557543055.db2.gz ZAZXVYKGJOKJDT-ONTIZHBOSA-N 1 0 446.617 1.985 50 0 IDAARO Cc1ccc(S(=O)(=O)N(CCCOC(C)C)CCC(=O)N2CC[NH2+]CC2)cc1C ZINC000045944859 557553525 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VXCBQTXGCISVNB-MRXNPFEDSA-N 1 0 441.557 1.973 50 0 IDAARO O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000225808731 557779538 /nfs/dbraw/zinc/77/95/38/557779538.db2.gz IWFSFIOIETVXKS-CQSZACIVSA-N 1 0 435.468 1.164 50 0 IDAARO O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000225808754 557779622 /nfs/dbraw/zinc/77/96/22/557779622.db2.gz IWFSFIOIETVXKS-AWEZNQCLSA-N 1 0 435.468 1.164 50 0 IDAARO CCOC(=O)N1CCN(C(=O)C[NH2+][C@@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC000239667187 557844967 /nfs/dbraw/zinc/84/49/67/557844967.db2.gz BPGQECNLLJJHQE-JFIYKMOQSA-N 1 0 426.558 1.911 50 0 IDAARO Cn1ccnc1[C@H](O)C1CC[NH+](C[C@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)CC1 ZINC000240225342 557845249 /nfs/dbraw/zinc/84/52/49/557845249.db2.gz DHGZNKRWJPJXRD-YLJYHZDGSA-N 1 0 449.596 1.929 50 0 IDAARO Cn1ccnc1[C@H](O)C1CC[NH+](C[C@@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)CC1 ZINC000240225339 557845280 /nfs/dbraw/zinc/84/52/80/557845280.db2.gz DHGZNKRWJPJXRD-FXAWDEMLSA-N 1 0 449.596 1.929 50 0 IDAARO Cn1ccnc1[C@@H](O)C1CC[NH+](C[C@@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)CC1 ZINC000240225340 557845308 /nfs/dbraw/zinc/84/53/08/557845308.db2.gz DHGZNKRWJPJXRD-PXNSSMCTSA-N 1 0 449.596 1.929 50 0 IDAARO O=C(C[N@@H+]1CCC12CCOCC2)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000241316790 557846194 /nfs/dbraw/zinc/84/61/94/557846194.db2.gz LUXURAQBLOIAJV-UHFFFAOYSA-N 1 0 433.983 1.489 50 0 IDAARO O=C(CNC(=O)c1ccc(Br)cc1)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000009130722 562967684 /nfs/dbraw/zinc/96/76/84/562967684.db2.gz CEWAWDLFOGXVNG-UHFFFAOYSA-N 1 0 432.322 1.566 50 0 IDAARO O=C(CCNC(=O)c1ccc(Br)cc1)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000009409571 562970261 /nfs/dbraw/zinc/97/02/61/562970261.db2.gz DSLQLFGOXYXUGD-UHFFFAOYSA-N 1 0 446.349 1.956 50 0 IDAARO C[NH+](C)CCn1c2c(c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc1=O)CCC2 ZINC000009745337 562976450 /nfs/dbraw/zinc/97/64/50/562976450.db2.gz NVVCZKDCTQTJRI-UHFFFAOYSA-N 1 0 430.530 1.796 50 0 IDAARO COc1cc(=O)n2c(c1C(=O)N1CCN(C)CC1)CC[N@@H+](Cc1cc(C)ccc1C)CC2 ZINC000299759751 568755714 /nfs/dbraw/zinc/75/57/14/568755714.db2.gz OUFAYXLFRDJCJX-UHFFFAOYSA-N 1 0 438.572 1.920 50 0 IDAARO Cn1c2nc(N3CC[NH+](Cc4ccccc4)CC3)n(Cc3ccccc3F)c2c(=O)[nH]c1=O ZINC000001268974 568775611 /nfs/dbraw/zinc/77/56/11/568775611.db2.gz ZWMMFQUZEVHJHR-UHFFFAOYSA-N 1 0 448.502 1.933 50 0 IDAARO CC[NH+]1CCN(c2ccc(CNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)cn2)CC1 ZINC000084789399 568801279 /nfs/dbraw/zinc/80/12/79/568801279.db2.gz IWPYIAIVWWMPBW-WFXMLNOXSA-N 1 0 446.621 1.566 50 0 IDAARO Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc(C)[nH+]3)CC2)c(C)c1 ZINC000015671299 568802626 /nfs/dbraw/zinc/80/26/26/568802626.db2.gz QLAISDJHOBDNFI-UHFFFAOYSA-N 1 0 431.562 1.749 50 0 IDAARO CC1=C(C(=O)NCCC[NH+]2CCCCCC2)C2(CCN(S(C)(=O)=O)CC2)OC1=O ZINC000015731365 568814907 /nfs/dbraw/zinc/81/49/07/568814907.db2.gz FSLUPFVEPKYHPZ-UHFFFAOYSA-N 1 0 427.567 1.036 50 0 biogenic IDAARO C[NH+]1CCN(CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000022934789 568837047 /nfs/dbraw/zinc/83/70/47/568837047.db2.gz DFZLCZHNGJSWGH-UHFFFAOYSA-N 1 0 428.986 1.492 50 0 IDAARO C[C@@H](c1ccccc1)n1c(=O)c(C(=O)NCC[NH+](C)C)nn(-c2ccc(Cl)cc2)c1=O ZINC000036085842 568948268 /nfs/dbraw/zinc/94/82/68/568948268.db2.gz GQCZVEOAVMVGTN-HNNXBMFYSA-N 1 0 441.919 1.948 50 0 IDAARO CCn1c2c(C(=O)NC[C@@H]3CCCO3)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2 ZINC000064835857 568968995 /nfs/dbraw/zinc/96/89/95/568968995.db2.gz LBADFSSVVKVLDJ-SFHVURJKSA-N 1 0 435.528 1.983 50 0 IDAARO O=C(CCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21)NCC[NH+]1CCCCCC1 ZINC000064889228 568980439 /nfs/dbraw/zinc/98/04/39/568980439.db2.gz XRCFEADDJMUYKC-UHFFFAOYSA-N 1 0 448.593 1.598 50 0 IDAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3cc(C)nc4c3c(=O)n(C)c(=O)n4C)CC2)cc1 ZINC000064957292 568999488 /nfs/dbraw/zinc/99/94/88/568999488.db2.gz LDXKIIDTPGVJBK-UHFFFAOYSA-N 1 0 449.555 1.891 50 0 IDAARO CC[C@H](C)NC(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025109 569090360 /nfs/dbraw/zinc/09/03/60/569090360.db2.gz QPAWUIZKIMCEIM-AWEZNQCLSA-N 1 0 435.525 1.959 50 0 IDAARO CCc1noc2nc(CCC(=O)NCCN3CC[NH+](CC)CC3)nc(N3CCCCC3)c12 ZINC000065056872 569094920 /nfs/dbraw/zinc/09/49/20/569094920.db2.gz CIBVCYZOLYFDLX-UHFFFAOYSA-N 1 0 443.596 1.857 50 0 IDAARO C[C@@H](C(=O)NCCN1CC[NH+](C)CC1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000065061895 569096809 /nfs/dbraw/zinc/09/68/09/569096809.db2.gz LCKCKKWVTFITQJ-MRXNPFEDSA-N 1 0 428.624 1.149 50 0 IDAARO CC[NH+]1CCN(c2ncc(N3CCC(C(=O)N4CCC5(CC4)OCCO5)CC3)cn2)CC1 ZINC000065166749 569112553 /nfs/dbraw/zinc/11/25/53/569112553.db2.gz CGCXBNNSIDKASS-UHFFFAOYSA-N 1 0 444.580 1.200 50 0 biogenic IDAARO CS(=O)(=O)N1CCc2ccc(C(=O)NCCN3CCC([NH+]4CCCCC4)CC3)cc21 ZINC000065210495 569116324 /nfs/dbraw/zinc/11/63/24/569116324.db2.gz YGRYNQIVDJUSPV-UHFFFAOYSA-N 1 0 434.606 1.689 50 0 IDAARO C[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnc(C(=O)N4CCC[N@H+](C)CC4)c3)nc2)C1 ZINC000065254365 569122679 /nfs/dbraw/zinc/12/26/79/569122679.db2.gz CPDDLDLOHHVKQY-QGZVFWFLSA-N 1 0 446.577 1.466 50 0 IDAARO CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)N2CC[NH+](C(C)C)CC2)CC3)CC1 ZINC000065273785 569128301 /nfs/dbraw/zinc/12/83/01/569128301.db2.gz KEXOOUQYUWBCMH-KRWDZBQOSA-N 1 0 433.622 1.859 50 0 IDAARO CN(CC(=O)N(CC[NH+](C)C)c1nc2ccc(Br)cc2s1)S(C)(=O)=O ZINC000036642451 569130248 /nfs/dbraw/zinc/13/02/48/569130248.db2.gz BHKFRWOQSOSCAG-UHFFFAOYSA-N 1 0 449.396 1.845 50 0 IDAARO Cc1oc2ncn(C)c(=O)c2c1C(=O)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000065329492 569136955 /nfs/dbraw/zinc/13/69/55/569136955.db2.gz HUBLKRUGYMEJFL-UHFFFAOYSA-N 1 0 427.480 1.916 50 0 IDAARO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NC[C@H]([C@@H]1CCOC1)[NH+]1CCCC1 ZINC000065512474 569139067 /nfs/dbraw/zinc/13/90/67/569139067.db2.gz WOFYIPXBAQBZOD-CRAIPNDOSA-N 1 0 440.566 1.568 50 0 IDAARO Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)NCCC[N@H+]4CCC[C@H](C)C4)C3)sc2n1 ZINC000037009186 569139621 /nfs/dbraw/zinc/13/96/21/569139621.db2.gz NDTWVKMOYUXMHI-RDJZCZTQSA-N 1 0 432.594 1.914 50 0 IDAARO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C(=O)NCCC(=O)N(C)C ZINC000089702545 569161781 /nfs/dbraw/zinc/16/17/81/569161781.db2.gz KOUNZTKREBSMMS-SFHVURJKSA-N 1 0 426.521 1.172 50 0 IDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NCCC(C)C)N(C)C2=O ZINC000037409820 569195404 /nfs/dbraw/zinc/19/54/04/569195404.db2.gz JZVHDEAURCVOLW-ZHRRBRCNSA-N 1 0 432.569 1.104 50 0 IDAARO CC(C)CN1CC[NH+]([C@@H]2CCOC3(CCN(S(=O)(=O)c4cn(C)cn4)CC3)C2)CC1 ZINC000581819813 569211581 /nfs/dbraw/zinc/21/15/81/569211581.db2.gz MLHBTWRUQDJORB-LJQANCHMSA-N 1 0 439.626 1.396 50 0 IDAARO O=C(CCC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000253529911 569283809 /nfs/dbraw/zinc/28/38/09/569283809.db2.gz GHPGYLQPBJKRLB-CGXNFDGLSA-N 1 0 440.588 1.955 50 0 IDAARO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)C1 ZINC000079107560 569325901 /nfs/dbraw/zinc/32/59/01/569325901.db2.gz OBTVIZCURQWYLI-HNNXBMFYSA-N 1 0 437.591 1.502 50 0 IDAARO CC[NH+]1CCN(CCCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)CC1 ZINC000020209343 569356021 /nfs/dbraw/zinc/35/60/21/569356021.db2.gz UTVAPJBSTFRPOO-UHFFFAOYSA-N 1 0 434.606 1.682 50 0 IDAARO Cc1nc2c(c(C)c1CCC(=O)N1CC[NH+](C3CCCCC3)CC1)c(=O)n(C)c(=O)n2C ZINC000020283931 569359010 /nfs/dbraw/zinc/35/90/10/569359010.db2.gz DAZPFVXGGZSHLD-UHFFFAOYSA-N 1 0 441.576 1.659 50 0 IDAARO Cc1nc2c(c(C)c1CCC(=O)NC[C@@H]1CC[N@@H+](C3CCCC3)C1)c(=O)n(C)c(=O)n2C ZINC000020283911 569359017 /nfs/dbraw/zinc/35/90/17/569359017.db2.gz XYMWFVJKGKPHGL-KRWDZBQOSA-N 1 0 441.576 1.562 50 0 IDAARO CC[NH+]1CCN(CCCNC(=O)Cn2nc(Cc3ccncc3)c3ccccc3c2=O)CC1 ZINC000020355006 569361209 /nfs/dbraw/zinc/36/12/09/569361209.db2.gz OIQFUYOBJQSYOG-UHFFFAOYSA-N 1 0 448.571 1.526 50 0 IDAARO C[NH+]1CCN(CCCNC(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)CC1 ZINC000020355020 569361313 /nfs/dbraw/zinc/36/13/13/569361313.db2.gz JKAJWAXTRMOZPL-UHFFFAOYSA-N 1 0 434.544 1.136 50 0 IDAARO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C2CC2)CC1 ZINC000095993677 569378499 /nfs/dbraw/zinc/37/84/99/569378499.db2.gz DLADIQLVBAGXPU-XDHUDOTRSA-N 1 0 439.560 1.270 50 0 IDAARO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C2CC2)CC1 ZINC000095993676 569378511 /nfs/dbraw/zinc/37/85/11/569378511.db2.gz DLADIQLVBAGXPU-MZNJEOGPSA-N 1 0 439.560 1.270 50 0 IDAARO CCN1C2=C(C(=O)N(C(C)(C)C(=O)NCC[NH+](C)C)C2)[C@H](c2cccc(C)c2)NC1=O ZINC000096288258 569390473 /nfs/dbraw/zinc/39/04/73/569390473.db2.gz PACAMBZXARPDOC-IBGZPJMESA-N 1 0 427.549 1.634 50 0 IDAARO COc1ccc(CN2C(=O)N[C@H](CC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C2=O)cc1 ZINC000334159480 569402262 /nfs/dbraw/zinc/40/22/62/569402262.db2.gz CSOJIBDUSPFKHQ-SXLOBPIMSA-N 1 0 428.533 1.886 50 0 IDAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000029277226 569429380 /nfs/dbraw/zinc/42/93/80/569429380.db2.gz JICQDCADUWEYDQ-UHFFFAOYSA-N 1 0 428.558 1.657 50 0 IDAARO Cn1c2nc(N3CC[NH+](Cc4ccccc4)CC3)n(Cc3ccc(F)cc3)c2c(=O)[nH]c1=O ZINC000057142618 569429719 /nfs/dbraw/zinc/42/97/19/569429719.db2.gz XGXHBSGMMNTCMK-UHFFFAOYSA-N 1 0 448.502 1.933 50 0 IDAARO CN(C)c1ccc(N2CCn3c4c(nc32)n(C)c(=O)n(CC[NH+]2CCCCC2)c4=O)cc1 ZINC000057405807 569433592 /nfs/dbraw/zinc/43/35/92/569433592.db2.gz WAZZCTFBIGWSEW-UHFFFAOYSA-N 1 0 437.548 1.600 50 0 IDAARO CCOCCn1c(N2CC[NH+](Cc3ccc(C)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000004316560 569462015 /nfs/dbraw/zinc/46/20/15/569462015.db2.gz ZFACTNHUKKAHGA-UHFFFAOYSA-N 1 0 426.521 1.090 50 0 IDAARO Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)=NN4CC[NH+]3CCCCC3)n(C)c2=O)c1 ZINC000008706285 569470479 /nfs/dbraw/zinc/47/04/79/569470479.db2.gz OIYUQAQBMOMQQX-UHFFFAOYSA-N 1 0 449.559 1.935 50 0 IDAARO Cc1c(C)n2c(nc3c2c(=O)n(C)c(=O)n3C)n1CC[NH+]1CCN(c2ccccc2)CC1 ZINC000008725050 569472075 /nfs/dbraw/zinc/47/20/75/569472075.db2.gz QXPRCPUGEWBNOC-UHFFFAOYSA-N 1 0 435.532 1.125 50 0 IDAARO CN(C)S(=O)(=O)c1ccc(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000040087051 569486707 /nfs/dbraw/zinc/48/67/07/569486707.db2.gz RGZWVCLQDPZLCI-UHFFFAOYSA-N 1 0 434.562 1.468 50 0 IDAARO CSCC[C@H]([NH3+])C(=O)N1CCC(C(=O)N[C@H](C)C(=O)NCc2ccc(C)cc2)CC1 ZINC000008952572 569490000 /nfs/dbraw/zinc/49/00/00/569490000.db2.gz VCVPITPTMAJNHQ-APWZRJJASA-N 1 0 434.606 1.435 50 0 biogenic IDAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)C1 ZINC000040142370 569491809 /nfs/dbraw/zinc/49/18/09/569491809.db2.gz JQDDWODBZIUYMS-HZPDHXFCSA-N 1 0 429.608 1.867 50 0 IDAARO COc1ccc(CCN2C(=O)c3ccc(C(=O)NCC[NH+](C)C)cc3C2=O)cc1OC ZINC000040267810 569497430 /nfs/dbraw/zinc/49/74/30/569497430.db2.gz PODDEQOAEYQRGU-UHFFFAOYSA-N 1 0 425.485 1.834 50 0 IDAARO C[NH+](C)CCNC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000009747402 569565864 /nfs/dbraw/zinc/56/58/64/569565864.db2.gz JRIGHMXXPXEXTB-MRXNPFEDSA-N 1 0 444.985 1.067 50 0 IDAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ncccn3)CC2)=[NH+][C@@H]1c1ccccc1OC ZINC000008990461 132299472 /nfs/dbraw/zinc/29/94/72/132299472.db2.gz OREUEFQZCPQKON-QZTJIDSGSA-N 1 0 438.488 1.014 50 0 IDAARO CC(C)[NH+](CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)c1)C(C)C ZINC000012909234 519648180 /nfs/dbraw/zinc/64/81/80/519648180.db2.gz XECYDNJJEHNPLF-KRWDZBQOSA-N 1 0 445.607 1.001 50 0 IDAARO CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)cc1 ZINC000022766433 519721439 /nfs/dbraw/zinc/72/14/39/519721439.db2.gz VUIFUICDCZLKHT-IBGZPJMESA-N 1 0 429.546 1.750 50 0 IDAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)C1 ZINC000022693646 519729527 /nfs/dbraw/zinc/72/95/27/519729527.db2.gz ULOWPZTVVAOJRU-INIZCTEOSA-N 1 0 429.970 1.867 50 0 IDAARO CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000022622990 519821249 /nfs/dbraw/zinc/82/12/49/519821249.db2.gz OZIOPLNTBCCQJJ-FQEVSTJZSA-N 1 0 441.594 1.996 50 0 IDAARO CCC[NH+]1CCN(CCCNC(=O)[C@H]2CCCN2c2nnc(N3CCCC3=O)s2)CC1 ZINC000020901550 519858279 /nfs/dbraw/zinc/85/82/79/519858279.db2.gz USRCDEHCOFRYHB-QGZVFWFLSA-N 1 0 449.625 1.168 50 0 IDAARO CCCOc1ccc([C@]2(C)C(=O)N(CN3CCOCC3)C(=O)[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000020791396 520435347 /nfs/dbraw/zinc/43/53/47/520435347.db2.gz ATLKMLJYBCDKDF-URXFXBBRSA-N 1 0 445.560 1.340 50 0 IDAARO CCOc1cc(C[N@H+]2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)ccc1O ZINC000020907573 520699692 /nfs/dbraw/zinc/69/96/92/520699692.db2.gz DEJSJEOGBWYFCO-GOSISDBHSA-N 1 0 429.521 1.278 50 0 IDAARO CC[NH+](CC)C[C@@H](O)COc1cc(CN2CCN(c3ncccn3)CC2)ccc1OC ZINC000012302704 520722109 /nfs/dbraw/zinc/72/21/09/520722109.db2.gz TWXOXXFXRFYRIL-HXUWFJFHSA-N 1 0 429.565 1.889 50 0 IDAARO CC[NH+](CC)C[C@H](O)COc1cc(CN2CCN(c3ncccn3)CC2)ccc1OC ZINC000012302706 520737750 /nfs/dbraw/zinc/73/77/50/520737750.db2.gz TWXOXXFXRFYRIL-FQEVSTJZSA-N 1 0 429.565 1.889 50 0 IDAARO CC1=C(C(=O)NCC[NH+](CC(C)C)CC(C)C)C2(CCN(S(C)(=O)=O)CC2)OC1=O ZINC000021887591 520796972 /nfs/dbraw/zinc/79/69/72/520796972.db2.gz PFHOAKLRAQVMPT-UHFFFAOYSA-N 1 0 443.610 1.384 50 0 biogenic IDAARO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1 ZINC000011998522 520858212 /nfs/dbraw/zinc/85/82/12/520858212.db2.gz UKHKZNYCHLGFAH-CQSZACIVSA-N 1 0 431.580 1.398 50 0 IDAARO CCN(CC[NH+]1CCCC1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(OC)c1OC ZINC000012592214 521044718 /nfs/dbraw/zinc/04/47/18/521044718.db2.gz ROSVIZRRCZYWFK-LJQANCHMSA-N 1 0 432.565 1.339 50 0 IDAARO CCOC(=O)c1sc2nc3c(cc2c1NC(=O)C[NH2+]CCN1CCOCC1)CCC3 ZINC000020592311 521619775 /nfs/dbraw/zinc/61/97/75/521619775.db2.gz DXBBMFCQZPKJKA-UHFFFAOYSA-N 1 0 432.546 1.822 50 0 IDAARO CC[NH+]1CCN([C@H](CNC(=O)C(=O)NCc2ccc(OC)cc2)c2cccnc2)CC1 ZINC000022457158 521694707 /nfs/dbraw/zinc/69/47/07/521694707.db2.gz WUEVTZYSYFSWTO-OAQYLSRUSA-N 1 0 425.533 1.201 50 0 IDAARO COc1cc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@@H]2CCCO2)cc(OC)c1OC ZINC000021534859 522062719 /nfs/dbraw/zinc/06/27/19/522062719.db2.gz GDYRJRDJCOLTLZ-KRWDZBQOSA-N 1 0 435.521 1.156 50 0 IDAARO COCCn1c(C)cc(O)c([C@H](c2ccc(SC)cc2)N2CC[NH+](CCO)CC2)c1=O ZINC000022697768 522064940 /nfs/dbraw/zinc/06/49/40/522064940.db2.gz KGSHPCXRWZOBFV-QFIPXVFZSA-N 1 0 447.601 1.930 50 0 IDAARO COCCn1c(C)cc(O)c([C@H](c2ccc(OC)cc2)N2CC[NH+](CCO)CC2)c1=O ZINC000022697575 522065834 /nfs/dbraw/zinc/06/58/34/522065834.db2.gz NYRLMFFNDYUZCH-QFIPXVFZSA-N 1 0 431.533 1.217 50 0 IDAARO COCCn1c(N2CC[NH+](Cc3cccc4ccccc43)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000022855264 522070834 /nfs/dbraw/zinc/07/08/34/522070834.db2.gz ZGAKTVZEHZTNNJ-UHFFFAOYSA-N 1 0 448.527 1.545 50 0 IDAARO COc1cc(CN2CCNC(=O)[C@H]2CC(=O)N2CC[NH+](C3CCCC3)CC2)cc(OC)c1 ZINC000012595091 522385510 /nfs/dbraw/zinc/38/55/10/522385510.db2.gz HZEUHYJJSADFGJ-JOCHJYFZSA-N 1 0 444.576 1.481 50 0 IDAARO COC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(CNCc3cc(C)n(C)n3)cc2)CC1 ZINC000012596266 522915794 /nfs/dbraw/zinc/91/57/94/522915794.db2.gz CNUOHEPOHUSMHK-OAQYLSRUSA-N 1 0 430.549 1.643 50 0 IDAARO C[N@H+](C[C@@H]1COCCO1)C1CCN(c2ccc(C(=O)NCCN3CCOCC3)cc2)CC1 ZINC000012242912 523082575 /nfs/dbraw/zinc/08/25/75/523082575.db2.gz FVABLYDUVCPVPP-HSZRJFAPSA-N 1 0 446.592 1.065 50 0 IDAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)Nc2ccccc2F)c2ccc3c(c2)OCO3)CC1 ZINC000022851258 523918039 /nfs/dbraw/zinc/91/80/39/523918039.db2.gz FXUUZZPTFYRBLG-SFHVURJKSA-N 1 0 428.464 1.598 50 0 IDAARO C[NH+]1CCN([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)c2ccc(F)cc2)CC1 ZINC000022795138 523921611 /nfs/dbraw/zinc/92/16/11/523921611.db2.gz WDCBBGZJSWUJEU-LJQANCHMSA-N 1 0 435.521 1.864 50 0 IDAARO COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCC([NH+]3CCCC3)CC2)c(F)c1 ZINC000012479129 524034191 /nfs/dbraw/zinc/03/41/91/524034191.db2.gz QJQIMCKHFCVEJN-NRFANRHFSA-N 1 0 432.540 1.612 50 0 IDAARO COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCC([NH+]3CCCC3)CC2)cc1OC ZINC000012028256 524034352 /nfs/dbraw/zinc/03/43/52/524034352.db2.gz CDAIYYDCSOQJOI-FQEVSTJZSA-N 1 0 444.576 1.481 50 0 IDAARO C[NH+](C)CCCNC(=O)C[C@@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21 ZINC000012233351 524056178 /nfs/dbraw/zinc/05/61/78/524056178.db2.gz UYVCSOQYQAEFFQ-OAHLLOKOSA-N 1 0 430.509 1.826 50 0 IDAARO COc1ccccc1CNC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000022795872 524457783 /nfs/dbraw/zinc/45/77/83/524457783.db2.gz WQTIICJUYYNCMS-FQEVSTJZSA-N 1 0 428.508 1.555 50 0 IDAARO COc1ccc(OC)c(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)[nH+]3)CC2)c1 ZINC000021795288 524857782 /nfs/dbraw/zinc/85/77/82/524857782.db2.gz VYERCAXMBUJCAM-UHFFFAOYSA-N 1 0 442.520 1.993 50 0 IDAARO C[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2C[NH2+][C@H]2CCCCNC2=O)C[C@H](C)O1 ZINC000012439562 524884913 /nfs/dbraw/zinc/88/49/13/524884913.db2.gz IJCDHQNWDVWVTN-LZWOXQAQSA-N 1 0 433.940 1.995 50 0 IDAARO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3c3cccn3C)CC2)cc1 ZINC000012690145 525035674 /nfs/dbraw/zinc/03/56/74/525035674.db2.gz DIFMDFSKQAXVOT-OAQYLSRUSA-N 1 0 446.573 1.704 50 0 IDAARO Cc1ccccc1CNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CC[NH+](C)CC1 ZINC000022797286 525149965 /nfs/dbraw/zinc/14/99/65/525149965.db2.gz OWYJKLNYEVWGDT-FQEVSTJZSA-N 1 0 438.528 1.445 50 0 IDAARO COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022793150 525180205 /nfs/dbraw/zinc/18/02/05/525180205.db2.gz YCQGBBAXCFYIBP-JOCHJYFZSA-N 1 0 439.560 1.805 50 0 IDAARO CS(=O)(=O)c1ncc(CN2CCC([NH+]3CCSCC3)CC2)n1C[C@@H]1CCCO1 ZINC000020542840 525284320 /nfs/dbraw/zinc/28/43/20/525284320.db2.gz HKZODEWCZFXQAB-SFHVURJKSA-N 1 0 428.624 1.479 50 0 IDAARO COc1cccc(C[N@H+]2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)c1OC ZINC000020998989 525954186 /nfs/dbraw/zinc/95/41/86/525954186.db2.gz ZHDQYEGNEFFYGI-UHFFFAOYSA-N 1 0 425.489 1.919 50 0 IDAARO O=C(CCc1nnc2ccc(N3CCOCC3)nn21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000020530551 526665272 /nfs/dbraw/zinc/66/52/72/526665272.db2.gz FRYRKDKMADYTFB-UHFFFAOYSA-N 1 0 449.559 1.674 50 0 IDAARO NC(=O)CC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000016009745 526876920 /nfs/dbraw/zinc/87/69/20/526876920.db2.gz PXGZMBIMSTYNMD-FAODYONGSA-N 1 0 436.443 1.012 50 0 IDAARO Cn1c(=O)cc(N2CCC[C@@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)n(C)c1=O ZINC000035455461 527029573 /nfs/dbraw/zinc/02/95/73/527029573.db2.gz LNZZUZCBCDQFMD-LJQANCHMSA-N 1 0 439.560 1.081 50 0 IDAARO C[N@H+](CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1 ZINC000000596731 555510749 /nfs/dbraw/zinc/51/07/49/555510749.db2.gz IXTMWRCNAAVVAI-UHFFFAOYSA-N 1 0 441.575 1.983 50 0 fda IDAARO CCCOc1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 ZINC000002420887 555777625 /nfs/dbraw/zinc/77/76/25/555777625.db2.gz BUTKIIHKPHFLGY-IBGZPJMESA-N 1 0 431.514 1.587 50 0 IDAARO O=C(NCc1ccccc1)c1coc(CN2CCN(C[C@H](O)C[NH+]3CCCCC3)CC2)n1 ZINC000034677084 555795000 /nfs/dbraw/zinc/79/50/00/555795000.db2.gz CWLKLWFCCPHDAI-OAQYLSRUSA-N 1 0 441.576 1.569 50 0 IDAARO CC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)co2)CC1 ZINC000034677704 555796166 /nfs/dbraw/zinc/79/61/66/555796166.db2.gz UEERWFOAPKLJQI-FQEVSTJZSA-N 1 0 445.539 1.665 50 0 IDAARO CC(C)C[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)CC1 ZINC000008740993 556206618 /nfs/dbraw/zinc/20/66/18/556206618.db2.gz IYQITJFFGRJRCQ-UHFFFAOYSA-N 1 0 430.940 1.903 50 0 IDAARO COCC(=O)N[C@H](c1nnc2n1CC[N@@H+](Cc1cc(OC)cc(OC)c1)CC2)C(C)C ZINC000011783965 556352160 /nfs/dbraw/zinc/35/21/60/556352160.db2.gz CPMMRMYVFCAMBV-NRFANRHFSA-N 1 0 431.537 1.813 50 0 IDAARO COc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)cc1OC ZINC000011997481 556384706 /nfs/dbraw/zinc/38/47/06/556384706.db2.gz OZUPFMQBXVKHCC-INIZCTEOSA-N 1 0 443.548 1.957 50 0 IDAARO COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1cn(C)nc1C)CC2 ZINC000014530695 556420413 /nfs/dbraw/zinc/42/04/13/556420413.db2.gz UNVDHLADBCZXSX-UHFFFAOYSA-N 1 0 426.521 1.569 50 0 IDAARO CCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]CCCN1CCOCC1)C2 ZINC000014542883 556426580 /nfs/dbraw/zinc/42/65/80/556426580.db2.gz VPOJOHHEXCUCRH-GOSISDBHSA-N 1 0 435.638 1.651 50 0 IDAARO [NH3+]CCCC[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc(Cl)c3Cl)CN2C1=O ZINC000014731394 556436695 /nfs/dbraw/zinc/43/66/95/556436695.db2.gz ITPXMQNRNQLLSH-BPNCWPANSA-N 1 0 428.320 1.712 50 0 IDAARO COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CC[NH+](CCC(N)=O)CC2 ZINC000014742190 556439169 /nfs/dbraw/zinc/43/91/69/556439169.db2.gz SZLOIDIMPFMEJA-UHFFFAOYSA-N 1 0 432.521 1.206 50 0 IDAARO Cc1cc2n(n1)CCC(=O)N2[C@H](C)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000022937189 556457869 /nfs/dbraw/zinc/45/78/69/556457869.db2.gz JLTCVFAOYPISGI-HXUWFJFHSA-N 1 0 438.576 1.641 50 0 IDAARO COc1ccc(OC)c(C[N@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)c1 ZINC000014965394 556465332 /nfs/dbraw/zinc/46/53/32/556465332.db2.gz SIBXKMDEJZXJFM-IBGZPJMESA-N 1 0 437.566 1.600 50 0 IDAARO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000013164838 556497281 /nfs/dbraw/zinc/49/72/81/556497281.db2.gz CILFDNYXBGUAEY-HXUWFJFHSA-N 1 0 434.537 1.834 50 0 IDAARO COc1c(C)cc(S(=O)(=O)NC(=[NH2+])NCCC[C@H](N)C(=O)OC(C)(C)C)c(C)c1C ZINC000015721588 556545269 /nfs/dbraw/zinc/54/52/69/556545269.db2.gz PQFURAIFTCMANS-HNNXBMFYSA-N 1 0 442.582 1.872 50 0 IDAARO Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc(C)[nH+]3)CC2)c1 ZINC000033318415 556560922 /nfs/dbraw/zinc/56/09/22/556560922.db2.gz JJLBWALYZIIUQC-UHFFFAOYSA-N 1 0 431.562 1.749 50 0 IDAARO NC(=O)CC[C@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000016009746 556573705 /nfs/dbraw/zinc/57/37/05/556573705.db2.gz PXGZMBIMSTYNMD-NZQNYPKQSA-N 1 0 436.443 1.012 50 0 IDAARO Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[NH2+][C@H](CCC(N)=O)[C@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21 ZINC000016020143 556574761 /nfs/dbraw/zinc/57/47/61/556574761.db2.gz KCSUZGNYMXHPDB-PPSDVSMJSA-N 1 0 444.919 1.577 50 0 IDAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000409413141 556640472 /nfs/dbraw/zinc/64/04/72/556640472.db2.gz DKZSICJNZLBYGL-PXNSSMCTSA-N 1 0 428.533 1.842 50 0 biogenic IDAARO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000032929499 556672038 /nfs/dbraw/zinc/67/20/38/556672038.db2.gz NNCAFBXRGUYFBC-IAGOWNOFSA-N 1 0 431.624 1.973 50 0 IDAARO CC[NH+](CC)CCN(CC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1)CC(C)C ZINC000072313452 556693473 /nfs/dbraw/zinc/69/34/73/556693473.db2.gz UADOGOWYQMQZAZ-GOSISDBHSA-N 1 0 427.615 1.789 50 0 IDAARO CC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCC[NH+]3CCCCC3)ccc21 ZINC000033023971 556694169 /nfs/dbraw/zinc/69/41/69/556694169.db2.gz SLWCKUOWHLHIRY-UHFFFAOYSA-N 1 0 436.582 1.625 50 0 IDAARO COc1cc(C(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccc(F)cc2)cc(OC)c1OC ZINC000033032572 556712853 /nfs/dbraw/zinc/71/28/53/556712853.db2.gz XGSNKEHQWNBXIQ-UHFFFAOYSA-N 1 0 445.491 1.926 50 0 IDAARO Cc1ccccc1S(=O)(=O)Nc1cc(C(=O)N2CCOCC2)ccc1N1CC[NH2+]CC1 ZINC000033033516 556714514 /nfs/dbraw/zinc/71/45/14/556714514.db2.gz MWADRUMDHYYSRQ-UHFFFAOYSA-N 1 0 444.557 1.678 50 0 IDAARO Cc1cccc(N2CC[NH+](CC[C@@H](C)NC(=O)NCCN3CCCS3(=O)=O)CC2)c1 ZINC000058210583 556772376 /nfs/dbraw/zinc/77/23/76/556772376.db2.gz WHJVFQMEKHBXDL-LJQANCHMSA-N 1 0 437.610 1.230 50 0 IDAARO Cc1nn(CC(=O)NCC[NH+](C)C)c(=O)c2c1nn(-c1ccc(F)cc1)c2-n1cccc1 ZINC000033058062 556807625 /nfs/dbraw/zinc/80/76/25/556807625.db2.gz SGCNKXJRZZAORG-UHFFFAOYSA-N 1 0 437.479 1.498 50 0 IDAARO Cn1c2ccccc2n(CC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)c(=O)c1=O ZINC000033068449 556822668 /nfs/dbraw/zinc/82/26/68/556822668.db2.gz ANNHBMFRYYJHIA-UHFFFAOYSA-N 1 0 435.528 1.029 50 0 IDAARO CCc1ccc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(N4CCOCC4)n3)CC2)cc1 ZINC000065363514 556835075 /nfs/dbraw/zinc/83/50/75/556835075.db2.gz VHHBYRNWHOGRGI-UHFFFAOYSA-N 1 0 431.562 1.695 50 0 IDAARO CCOc1ccc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(N4CCOCC4)n3)CC2)cc1 ZINC000065364707 556835535 /nfs/dbraw/zinc/83/55/35/556835535.db2.gz XNLMZBSGJCSCBA-UHFFFAOYSA-N 1 0 447.561 1.531 50 0 IDAARO O=C(C1CC[NH+](C2CCN(Cc3ccc4c(c3)OCCO4)CC2)CC1)N1CCOCC1 ZINC000067690487 556845911 /nfs/dbraw/zinc/84/59/11/556845911.db2.gz IPPFRIDOORUROR-UHFFFAOYSA-N 1 0 429.561 1.993 50 0 IDAARO O=c1ccc2cc(S(=O)(=O)NCCN3CCN(c4ccccc4F)CC3)ccc2[nH]1 ZINC000033077183 556854328 /nfs/dbraw/zinc/85/43/28/556854328.db2.gz NZSCUJDIYQPPFV-UHFFFAOYSA-N 1 0 430.505 1.768 50 0 IDAARO COc1cc(C[N@H+]2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)cc(OC)c1 ZINC000019743494 556888188 /nfs/dbraw/zinc/88/81/88/556888188.db2.gz LWSHTGDIBAQWSC-IBGZPJMESA-N 1 0 429.521 1.191 50 0 IDAARO CCN1C(=O)c2cc(C(=O)NCC[NH+]3CCCCC3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000033249962 556891349 /nfs/dbraw/zinc/89/13/49/556891349.db2.gz AJWSFDQKKKSDNE-QHCPKHFHSA-N 1 0 444.580 1.392 50 0 IDAARO Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)[nH+]1 ZINC000072139984 556899245 /nfs/dbraw/zinc/89/92/45/556899245.db2.gz KLLNPNBYIVIQCX-UHFFFAOYSA-N 1 0 439.488 1.411 50 0 IDAARO O=C(CCN1CCCC1=O)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000019794356 556915910 /nfs/dbraw/zinc/91/59/10/556915910.db2.gz DWFVXAOPNUAFRR-FQEVSTJZSA-N 1 0 442.560 1.536 50 0 IDAARO CC[NH+](CC)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccccc1C ZINC000019879908 556936907 /nfs/dbraw/zinc/93/69/07/556936907.db2.gz XDDDAAGEFANPRG-MRXNPFEDSA-N 1 0 444.536 1.338 50 0 IDAARO CC[NH+](CC)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccccc1C ZINC000019879910 556936916 /nfs/dbraw/zinc/93/69/16/556936916.db2.gz XDDDAAGEFANPRG-INIZCTEOSA-N 1 0 444.536 1.338 50 0 IDAARO Cc1cc(N2CCOCC2)nc(N2CCN(S(=O)(=O)c3cc(F)ccc3C)CC2)[nH+]1 ZINC000072436854 556972639 /nfs/dbraw/zinc/97/26/39/556972639.db2.gz RTDPPXBFOHTNBX-UHFFFAOYSA-N 1 0 435.525 1.580 50 0 IDAARO COC(=O)[C@@H](CN1CC[NH+](Cc2ccccc2)CC1)[C@](O)(c1nccn1C)C(F)(F)F ZINC000097003102 556978900 /nfs/dbraw/zinc/97/89/00/556978900.db2.gz KWGYCQSTEKBKHR-XLIONFOSSA-N 1 0 440.466 1.777 50 0 IDAARO NS(=O)(=O)CC[NH+]1CCC(C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)CC1 ZINC000097101393 556988360 /nfs/dbraw/zinc/98/83/60/556988360.db2.gz UBFXVWLFHFRTLB-IBGZPJMESA-N 1 0 436.965 1.941 50 0 IDAARO C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCC(OCCC[NH+](C)C)CC1 ZINC000079014248 557010608 /nfs/dbraw/zinc/01/06/08/557010608.db2.gz BEIYHBMBGCMFHC-AWEZNQCLSA-N 1 0 444.498 1.980 50 0 IDAARO COCCn1c(=O)[nH]c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc2c1=O ZINC000004791343 557125095 /nfs/dbraw/zinc/12/50/95/557125095.db2.gz JROARJIRSSFGGE-UHFFFAOYSA-N 1 0 436.512 1.731 50 0 IDAARO CCCCOCCOC(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)c1ccc(C)cc1 ZINC000095918105 557161741 /nfs/dbraw/zinc/16/17/41/557161741.db2.gz VRQJWDNJZDDLNB-QGZVFWFLSA-N 1 0 428.555 1.265 50 0 IDAARO CC(C)[NH+](CCNC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)C(C)C ZINC000024838029 557172663 /nfs/dbraw/zinc/17/26/63/557172663.db2.gz OUNLSMJGLBVYQT-QGZVFWFLSA-N 1 0 445.607 1.001 50 0 IDAARO CC[NH+]1CCN(c2ccc(NC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)cc2C)CC1 ZINC000024970663 557183761 /nfs/dbraw/zinc/18/37/61/557183761.db2.gz HTOGVFWYYLQIMN-UHFFFAOYSA-N 1 0 429.546 1.573 50 0 IDAARO C[C@@H](NC(=O)c1cccc(Br)c1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000025107868 557195508 /nfs/dbraw/zinc/19/55/08/557195508.db2.gz CONFLXINLNBOTG-CYBMUJFWSA-N 1 0 446.349 1.954 50 0 IDAARO C[NH+](C)CCNC(=O)C[C@H]1CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)n21 ZINC000011613401 557209529 /nfs/dbraw/zinc/20/95/29/557209529.db2.gz HXWVEKUYZBUXLI-AWEZNQCLSA-N 1 0 432.937 1.950 50 0 IDAARO CCOC(=O)C1=C(O)NC(N2CCN(C(=O)OCC)CC2)=[NH+][C@H]1c1ccc(Cl)cc1 ZINC000018077708 557235396 /nfs/dbraw/zinc/23/53/96/557235396.db2.gz BHXUCWXFUBANPW-HOTGVXAUSA-N 1 0 436.896 1.820 50 0 IDAARO O=C(CC1CCCC1)NCCn1ncc2c1ncnc2N1CCN(c2ncccn2)CC1 ZINC000011665925 557293785 /nfs/dbraw/zinc/29/37/85/557293785.db2.gz ZNGGXEWTANRSCU-UHFFFAOYSA-N 1 0 435.536 1.639 50 0 IDAARO COC(=O)C[C@]12C(=O)NCC[N@H+]1[C@H](c1ccccc1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 ZINC000107913746 557337795 /nfs/dbraw/zinc/33/77/95/557337795.db2.gz KSQBJQBUSNNORM-SMTRIPRVSA-N 1 0 447.491 1.589 50 0 IDAARO COC(=O)C[C@]12C(=O)NCC[N@H+]1[C@H](c1ccccc1)[C@H]1C(=O)N(c3ccccc3C)C(=O)[C@@H]12 ZINC000107913756 557337825 /nfs/dbraw/zinc/33/78/25/557337825.db2.gz XNXNWJFYULHZJU-SMTRIPRVSA-N 1 0 447.491 1.589 50 0 IDAARO Cn1c2c(nc1N1CC[NH+](C(c3ccccc3)c3ccccc3)CC1)n(C)c(=O)n(C)c2=O ZINC000103208010 557433435 /nfs/dbraw/zinc/43/34/35/557433435.db2.gz DISIDYDQLMTSAR-UHFFFAOYSA-N 1 0 444.539 1.882 50 0 IDAARO Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000105346766 557495458 /nfs/dbraw/zinc/49/54/58/557495458.db2.gz OJBPQRSSQGMMPR-SUCPGFJNSA-N 1 0 437.471 1.744 50 0 IDAARO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)C1)CCCC2 ZINC000225563294 557742846 /nfs/dbraw/zinc/74/28/46/557742846.db2.gz CYGXPTYGBBBNOZ-QGZVFWFLSA-N 1 0 445.564 1.923 50 0 IDAARO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)C2=O)cc1 ZINC000225757742 557773441 /nfs/dbraw/zinc/77/34/41/557773441.db2.gz BQXXGJQZEKPWQY-WZONZLPQSA-N 1 0 428.533 1.333 50 0 IDAARO COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000002453091 562927759 /nfs/dbraw/zinc/92/77/59/562927759.db2.gz SZCGSBOXQXIPNN-UHFFFAOYSA-N 1 0 441.532 1.699 50 0 IDAARO O=S(=O)(c1ccc(OC[C@H](O)C[NH2+]Cc2ccco2)c(Cl)c1)N1CCOCC1 ZINC000003293461 562933810 /nfs/dbraw/zinc/93/38/10/562933810.db2.gz WGZVLJQLIGVFHQ-CQSZACIVSA-N 1 0 430.910 1.483 50 0 IDAARO COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCCC[NH+]4CCCC4)ccc3c2=O)cc1 ZINC000004004841 562940674 /nfs/dbraw/zinc/94/06/74/562940674.db2.gz BZMXPSQKENOGDN-UHFFFAOYSA-N 1 0 436.512 1.962 50 0 IDAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)C1 ZINC000004115595 562942196 /nfs/dbraw/zinc/94/21/96/562942196.db2.gz HROCBIHWAKTJDV-KDURUIRLSA-N 1 0 428.643 1.913 50 0 IDAARO CSCC[C@H]([NH3+])C(=O)N1CCC(C(=O)N[C@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000008952235 562966213 /nfs/dbraw/zinc/96/62/13/562966213.db2.gz UKZVQBPULFPVKH-MDZRGWNJSA-N 1 0 434.606 1.688 50 0 biogenic IDAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009765492 562976705 /nfs/dbraw/zinc/97/67/05/562976705.db2.gz RJCYLWLSJYTKKN-HXUWFJFHSA-N 1 0 429.542 1.712 50 0 IDAARO C[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)[nH]c(=O)n(CCc2ccccc2)c3=O)CC1 ZINC000020117010 563023810 /nfs/dbraw/zinc/02/38/10/563023810.db2.gz JGUHPSSPZBYNHV-UHFFFAOYSA-N 1 0 449.555 1.300 50 0 IDAARO COCCN(C[C@H]1CN(C[C@H](O)COC(C)(C)C)CCO1)C(=O)c1ccccc1F ZINC000105038183 568624249 /nfs/dbraw/zinc/62/42/49/568624249.db2.gz AVQUBXIGBTYFSU-ZWKOTPCHSA-N 1 0 426.529 1.791 50 0 IDAARO CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@H]([NH2+]CCCN1CCOCC1)CC2 ZINC000014746094 568781516 /nfs/dbraw/zinc/78/15/16/568781516.db2.gz BLWIDKODUDGNRK-HXUWFJFHSA-N 1 0 425.577 1.862 50 0 IDAARO C[NH+]1CCN(c2ccccc2CNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)CC1 ZINC000083881704 568784366 /nfs/dbraw/zinc/78/43/66/568784366.db2.gz WJDOVLIRAMAKRL-CUWPLCDZSA-N 1 0 431.606 1.780 50 0 IDAARO Cc1cc2n(n1)CCC(=O)N2CC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000015728762 568813130 /nfs/dbraw/zinc/81/31/30/568813130.db2.gz IIZQSIMYVLCJNY-UHFFFAOYSA-N 1 0 444.967 1.910 50 0 IDAARO O=C(Cn1cnc(S(=O)(=O)N2CCCCC2)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000015766786 568821447 /nfs/dbraw/zinc/82/14/47/568821447.db2.gz CMPGOXMPAKSPTG-UHFFFAOYSA-N 1 0 445.589 1.839 50 0 IDAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1cc(CN2CCOCC2)on1 ZINC000015769500 568822112 /nfs/dbraw/zinc/82/21/12/568822112.db2.gz SKQZVMLYCBJKSL-UHFFFAOYSA-N 1 0 431.512 1.588 50 0 IDAARO CC[NH+]1CCN(c2ccc(N3CCN(S(=O)(=O)c4cccc(C)c4)CC3)nn2)CC1 ZINC000015882349 568856260 /nfs/dbraw/zinc/85/62/60/568856260.db2.gz RHJRZMXDSMVEHL-UHFFFAOYSA-N 1 0 430.578 1.438 50 0 IDAARO Cn1c2ncn(CC(=O)Nc3ccccc3-c3cn4c(n3)CCCC4)c2c(=O)n(C)c1=O ZINC000575621450 568883249 /nfs/dbraw/zinc/88/32/49/568883249.db2.gz XBDHANCWPDBJPR-UHFFFAOYSA-N 1 0 433.472 1.272 50 0 IDAARO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cc2c3c(c1)CCCN3C(=O)C2)c1ccc2c(c1)CCO2 ZINC000090607302 568889887 /nfs/dbraw/zinc/88/98/87/568889887.db2.gz GHJQZHYCSQVFFB-FQEVSTJZSA-N 1 0 448.523 1.814 50 0 IDAARO Cc1nc(-n2cccc2)cc(N2CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)[nH+]1 ZINC000090607835 568890387 /nfs/dbraw/zinc/89/03/87/568890387.db2.gz JHGUYDHBOALCJQ-UHFFFAOYSA-N 1 0 426.502 1.186 50 0 IDAARO CC(C)c1ccc(-n2nc(C(=O)NCC[NH+](C)C)c(=O)n(Cc3ccccc3)c2=O)cc1 ZINC000036087790 568949775 /nfs/dbraw/zinc/94/97/75/568949775.db2.gz XHVIYJITAQLBAS-UHFFFAOYSA-N 1 0 435.528 1.857 50 0 IDAARO Cc1ccc(-n2nc(C(=O)NCC[NH+](C)C)c(=O)n([C@H](C)c3ccccc3)c2=O)cc1F ZINC000036089015 568950112 /nfs/dbraw/zinc/95/01/12/568950112.db2.gz VTTZVACQDMUDKG-MRXNPFEDSA-N 1 0 439.491 1.742 50 0 IDAARO Cn1c2c(ccn2CC(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)c(=O)n(C)c1=O ZINC000065031029 569091370 /nfs/dbraw/zinc/09/13/70/569091370.db2.gz FQGHKQIHKKSGEK-UHFFFAOYSA-N 1 0 441.507 1.206 50 0 IDAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000036390517 569096635 /nfs/dbraw/zinc/09/66/35/569096635.db2.gz ZOBHKIHSBLVDOK-FQEVSTJZSA-N 1 0 428.558 1.873 50 0 IDAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000006894321 569103427 /nfs/dbraw/zinc/10/34/27/569103427.db2.gz OQXOPCSVFMZODY-MOPGFXCFSA-N 1 0 430.615 1.046 50 0 IDAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000006894330 569103464 /nfs/dbraw/zinc/10/34/64/569103464.db2.gz SHOAIAUCXSOOOZ-CEXWTWQISA-N 1 0 430.615 1.045 50 0 IDAARO O=C(c1cccnc1N1CC[NH2+][C@H](c2ccccc2)C1)N1CCN(c2ncccn2)CC1 ZINC000065255732 569123003 /nfs/dbraw/zinc/12/30/03/569123003.db2.gz CPGSPXKNMQMGHL-NRFANRHFSA-N 1 0 429.528 1.985 50 0 IDAARO CC(C)(C)OC(=O)NCCNC(=O)CC[N@@H+]1C[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC000170599946 569142607 /nfs/dbraw/zinc/14/26/07/569142607.db2.gz XLSBOMIFFKKLSU-VQTJNVASSA-N 1 0 432.565 1.603 50 0 IDAARO COC(=O)C(C)(C)NC(=O)C(=O)Nc1c(C)cnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000170617148 569147189 /nfs/dbraw/zinc/14/71/89/569147189.db2.gz XNOVKDYEGNAJKW-QGZVFWFLSA-N 1 0 427.505 1.645 50 0 IDAARO O=C(Cn1nc(N2CCSCC2)ccc1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000071286528 569150909 /nfs/dbraw/zinc/15/09/09/569150909.db2.gz AZNADSIFJCNPFZ-UHFFFAOYSA-N 1 0 427.574 1.577 50 0 IDAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000089794418 569164046 /nfs/dbraw/zinc/16/40/46/569164046.db2.gz CDXXPWQTDPUNHN-RDJZCZTQSA-N 1 0 436.534 1.088 50 0 IDAARO Cn1nc(-c2ccccc2)cc1C(=O)NCCN1CC[NH+](C[C@H](O)COC(C)(C)C)CC1 ZINC000252490098 569186659 /nfs/dbraw/zinc/18/66/59/569186659.db2.gz KJAYSZCPKSGXAJ-FQEVSTJZSA-N 1 0 443.592 1.611 50 0 IDAARO COc1ccc(S(=O)(=O)NCC2CC[NH+](C3CCSCC3)CC2)cc1C(N)=O ZINC000252487296 569186669 /nfs/dbraw/zinc/18/66/69/569186669.db2.gz HTXVIAWWGQPGDW-UHFFFAOYSA-N 1 0 427.592 1.680 50 0 IDAARO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000252513152 569189054 /nfs/dbraw/zinc/18/90/54/569189054.db2.gz XQXIDAKSCBEZAG-VIPLHTEESA-N 1 0 439.578 1.198 50 0 IDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CN1c2cc(C(=O)N(C)C)ccc2N2CCCC[C@@H]2C1=O ZINC000037448198 569197279 /nfs/dbraw/zinc/19/72/79/569197279.db2.gz QHXZUIGRIJFLNR-AZUAARDMSA-N 1 0 441.576 1.694 50 0 IDAARO COc1ccc(NC(=O)C[N@H+](C)[C@H]2CCC[C@H]2O)cc1S(=O)(=O)N1CCCCC1 ZINC000252669608 569209773 /nfs/dbraw/zinc/20/97/73/569209773.db2.gz IBTNRIZEGJDDLD-DLBZAZTESA-N 1 0 425.551 1.654 50 0 IDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CC[C@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O ZINC000223233532 569259081 /nfs/dbraw/zinc/25/90/81/569259081.db2.gz REEHNPYPCPJVNR-DLBZAZTESA-N 1 0 432.521 1.505 50 0 IDAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CNC(=O)Cn1cnc2ccccc2c1=O ZINC000253402886 569264969 /nfs/dbraw/zinc/26/49/69/569264969.db2.gz GSMNFSZBNNAADQ-FXAWDEMLSA-N 1 0 425.533 1.236 50 0 biogenic IDAARO COc1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)OCO3)N2CC[NH+](C)CC2)cc1 ZINC000019819930 569329976 /nfs/dbraw/zinc/32/99/76/569329976.db2.gz VXBIMXBUQUUHHQ-IBGZPJMESA-N 1 0 433.530 1.691 50 0 IDAARO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000095404750 569364355 /nfs/dbraw/zinc/36/43/55/569364355.db2.gz CIFQGUKLIULJCB-WOJBJXKFSA-N 1 0 434.606 1.387 50 0 IDAARO COc1cc(Br)c(S(N)(=O)=O)cc1C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000095441948 569366722 /nfs/dbraw/zinc/36/67/22/569366722.db2.gz NZUGZUPAGPFVQQ-LBPRGKRZSA-N 1 0 448.383 1.955 50 0 IDAARO CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)c1 ZINC000095454981 569368517 /nfs/dbraw/zinc/36/85/17/569368517.db2.gz GBENWZOMWXKCCT-INIZCTEOSA-N 1 0 441.573 1.710 50 0 IDAARO CC1(C)CC(NC(=O)C[C@@H]2NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)CC(C)(C)[NH2+]1 ZINC000096222984 569387299 /nfs/dbraw/zinc/38/72/99/569387299.db2.gz GKZJFCZSNKWRGI-HNNXBMFYSA-N 1 0 430.505 1.651 50 0 IDAARO NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC([N@@H+]3CCc4sccc4C3)CC2)cc1 ZINC000225690231 569407127 /nfs/dbraw/zinc/40/71/27/569407127.db2.gz DUCMFZVOFRJBHK-UHFFFAOYSA-N 1 0 441.600 1.607 50 0 IDAARO CC(C)(C)OC(=O)NCCNC(=O)CC[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000230242039 569440447 /nfs/dbraw/zinc/44/04/47/569440447.db2.gz XLSBOMIFFKKLSU-UXHICEINSA-N 1 0 432.565 1.603 50 0 IDAARO Cn1nnc(-c2ccc(C(=O)N[C@H]3C4CN5CC3(c3ccccc3)C[N@H+](C4)CC5)cc2)n1 ZINC000670471869 569464847 /nfs/dbraw/zinc/46/48/47/569464847.db2.gz VXISKJRKQXTGBN-MMPATGFWSA-N 1 0 429.528 1.175 50 0 IDAARO CCC[NH+]1CCC2(CC1)NC(=O)N(CC(=O)NCCc1ccc(OC)c(OC)c1)C2=O ZINC000008769197 569474985 /nfs/dbraw/zinc/47/49/85/569474985.db2.gz UHSUXERYLFTRFC-UHFFFAOYSA-N 1 0 432.521 1.159 50 0 IDAARO COc1ccc(CCC(=O)N[C@@H](C)C(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)cc1 ZINC000008791975 569476302 /nfs/dbraw/zinc/47/63/02/569476302.db2.gz NCCXLHNSFHHUMC-INIZCTEOSA-N 1 0 425.533 1.519 50 0 biogenic IDAARO C[C@H](NC(=O)c1ccc(Br)o1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008791940 569476345 /nfs/dbraw/zinc/47/63/45/569476345.db2.gz DADMNSICFCRIQG-NSHDSACASA-N 1 0 436.310 1.547 50 0 biogenic IDAARO COc1cccc(C[C@H](C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)n2nnnc2C)c1 ZINC000040120298 569489468 /nfs/dbraw/zinc/48/94/68/569489468.db2.gz MVLCTDLGDCHDFZ-LEWJYISDSA-N 1 0 428.537 1.487 50 0 IDAARO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCC[NH+]3CCOCC3)CC2)cc1C ZINC000040121361 569489588 /nfs/dbraw/zinc/48/95/88/569489588.db2.gz WDRCXEIVFQBYBY-UHFFFAOYSA-N 1 0 437.606 1.933 50 0 IDAARO C[NH+](C)CCNC(=O)c1cccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)c1 ZINC000040146377 569492293 /nfs/dbraw/zinc/49/22/93/569492293.db2.gz OPHRTYGNLNUTCK-UHFFFAOYSA-N 1 0 449.511 1.866 50 0 IDAARO O=C(CC[N@@H+]1CCC[C@H](C(=O)Nc2cnccn2)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000040149660 569492615 /nfs/dbraw/zinc/49/26/15/569492615.db2.gz OXZNYKQGPBSJNC-SFHVURJKSA-N 1 0 438.532 1.993 50 0 IDAARO CNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cc1 ZINC000040158522 569494620 /nfs/dbraw/zinc/49/46/20/569494620.db2.gz OVDSILADQXJYIP-UHFFFAOYSA-N 1 0 438.594 1.151 50 0 IDAARO COCCN(CCC(=O)NCC[NH+](C)C)C(=O)c1cc(-c2cc(OC)ccc2OC)on1 ZINC000040392495 569501224 /nfs/dbraw/zinc/50/12/24/569501224.db2.gz RVQMTIFKSHQAEA-UHFFFAOYSA-N 1 0 448.520 1.515 50 0 IDAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)c3ccc(CN4C(=O)CCC4=O)cc3)cn2)CC1 ZINC000069811570 569519626 /nfs/dbraw/zinc/51/96/26/569519626.db2.gz LZXWPVOBQMSFLV-UHFFFAOYSA-N 1 0 435.528 1.803 50 0 IDAARO CCOCCn1c(N2CC[NH+](CCCc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000009714576 569562828 /nfs/dbraw/zinc/56/28/28/569562828.db2.gz MHCWVLIIBPVMQK-UHFFFAOYSA-N 1 0 440.548 1.215 50 0 IDAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000012930571 519730050 /nfs/dbraw/zinc/73/00/50/519730050.db2.gz ZRPDKVNRRKXEGN-QGZVFWFLSA-N 1 0 442.557 1.198 50 0 IDAARO CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2ccsc2)N2CC[NH+](C)CC2)c1 ZINC000022766429 519741285 /nfs/dbraw/zinc/74/12/85/519741285.db2.gz KTOPQLREBALPJU-LJQANCHMSA-N 1 0 429.546 1.750 50 0 IDAARO CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)[C@@H](C[NH+]3CCCC3)[C@H]1[C@@H]2O ZINC000012656911 519758134 /nfs/dbraw/zinc/75/81/34/519758134.db2.gz CXVDWNNRIYXLKR-DUUHSWNQSA-N 1 0 437.533 1.530 50 0 biogenic IDAARO CCC[NH+]1CCN(CCCNC(=O)[C@@H](NS(=O)(=O)c2cccs2)C(C)C)CC1 ZINC000021052380 519857870 /nfs/dbraw/zinc/85/78/70/519857870.db2.gz KCCSYHWOQFSEPA-SFHVURJKSA-N 1 0 430.640 1.585 50 0 IDAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)N(C)C(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000035991172 520514253 /nfs/dbraw/zinc/51/42/53/520514253.db2.gz WURMNRLDMRTHBP-LJQANCHMSA-N 1 0 432.521 1.465 50 0 IDAARO CCN1C(=O)c2cc(C(=O)NCC[NH+](CC)CC)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021530994 520682909 /nfs/dbraw/zinc/68/29/09/520682909.db2.gz GTRUTNQQFBPDHI-QFIPXVFZSA-N 1 0 432.569 1.248 50 0 IDAARO CC[NH+](CC)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1cccc(C)c1 ZINC000020480055 520691939 /nfs/dbraw/zinc/69/19/39/520691939.db2.gz GKVYMERXYGBXIW-MRXNPFEDSA-N 1 0 444.536 1.338 50 0 IDAARO CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)NCCC[NH+]3CCCC3)c(O)c2c1 ZINC000020682428 520810160 /nfs/dbraw/zinc/81/01/60/520810160.db2.gz DGFITEJSKDWMHV-UHFFFAOYSA-N 1 0 434.562 1.774 50 0 IDAARO CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCC1CC[NH+](CCOC)CC1 ZINC000012437914 521483888 /nfs/dbraw/zinc/48/38/88/521483888.db2.gz CFAALYRLKUWKDB-NRFANRHFSA-N 1 0 446.592 1.250 50 0 IDAARO CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000021887789 521663136 /nfs/dbraw/zinc/66/31/36/521663136.db2.gz RGSFINLQHVJJDU-INIZCTEOSA-N 1 0 441.594 1.282 50 0 biogenic IDAARO CCN1CC[NH+](C2CCN(C(=O)C[C@H]3C(=O)NCCN3Cc3ccccc3F)CC2)CC1 ZINC000020773769 521672467 /nfs/dbraw/zinc/67/24/67/521672467.db2.gz XPZSXAKGGBSYNI-QFIPXVFZSA-N 1 0 445.583 1.145 50 0 IDAARO CC[NH+]1CCN(CCCNC(=O)c2ccc(CN3c4cc(C)nn4CCC3=O)cc2)CC1 ZINC000020938348 521680648 /nfs/dbraw/zinc/68/06/48/521680648.db2.gz MZSHQNXGAYMOEY-UHFFFAOYSA-N 1 0 438.576 1.886 50 0 IDAARO CC[NH+]1CCN(CCNC(=O)[C@@H]2CCCN(C(=O)c3[nH]c(C)c(C(=O)OC)c3C)C2)CC1 ZINC000035482227 521683063 /nfs/dbraw/zinc/68/30/63/521683063.db2.gz CFQSDHBFPFQZOQ-GOSISDBHSA-N 1 0 447.580 1.024 50 0 IDAARO CCCN1C(=O)c2cc(C(=O)NCC[NH+](CC)CC)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021531031 521702744 /nfs/dbraw/zinc/70/27/44/521702744.db2.gz NALVUGJYUVEZPZ-HSZRJFAPSA-N 1 0 446.596 1.638 50 0 IDAARO CN(C)S(=O)(=O)c1ccc2c(cc(C(=O)NCC[NH+](C)C)n2Cc2ccncc2)c1 ZINC000035509505 521783910 /nfs/dbraw/zinc/78/39/10/521783910.db2.gz CYIVZUBKGVBHMI-UHFFFAOYSA-N 1 0 429.546 1.626 50 0 IDAARO Cn1c(=O)c2c3nnc(SCC[NH+](C)C)n3c(-c3ccccc3Cl)nc2n(C)c1=O ZINC000012390915 521809192 /nfs/dbraw/zinc/80/91/92/521809192.db2.gz VZCJUGRCPDMSQS-UHFFFAOYSA-N 1 0 445.936 1.649 50 0 IDAARO COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022796350 522087661 /nfs/dbraw/zinc/08/76/61/522087661.db2.gz LVAAHOKQBQCEBG-FQEVSTJZSA-N 1 0 442.491 1.656 50 0 IDAARO COc1cc(C[N@H+](C)CCn2nc(C)cc2C)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000012713818 522349874 /nfs/dbraw/zinc/34/98/74/522349874.db2.gz OCEJWYYZICZTJZ-NRFANRHFSA-N 1 0 432.565 1.712 50 0 IDAARO COC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(CN(C)Cc3ccncn3)c2)CC1 ZINC000012835096 522914452 /nfs/dbraw/zinc/91/44/52/522914452.db2.gz OGXFNXDRDXMEIV-OAQYLSRUSA-N 1 0 428.533 1.733 50 0 IDAARO COC(=O)C1CC[NH+](C[C@H](O)COc2ccc(CNCc3cc(C)n(C)n3)cc2)CC1 ZINC000012596270 522915357 /nfs/dbraw/zinc/91/53/57/522915357.db2.gz CNUOHEPOHUSMHK-NRFANRHFSA-N 1 0 430.549 1.643 50 0 IDAARO COC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(CN(C)Cc3nonc3C)cc2)CC1 ZINC000012713152 522915938 /nfs/dbraw/zinc/91/59/38/522915938.db2.gz RAFUUWCFCHZFPP-LJQANCHMSA-N 1 0 432.521 1.635 50 0 IDAARO COCCC(=O)N[C@@H](C)c1nnc2n1CC[N@@H+](Cc1ccc(OC)c(C)c1OC)CC2 ZINC000020780741 522954874 /nfs/dbraw/zinc/95/48/74/522954874.db2.gz MXMDVRTZFCHVTK-INIZCTEOSA-N 1 0 431.537 1.876 50 0 IDAARO C[N@H+](C[C@@H]1CCCO1)C1CCN(S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)CC1 ZINC000021888522 523054075 /nfs/dbraw/zinc/05/40/75/523054075.db2.gz JLRHDWJPGFJCFO-HNNXBMFYSA-N 1 0 438.575 1.762 50 0 IDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000020566221 523806962 /nfs/dbraw/zinc/80/69/62/523806962.db2.gz OIKKBCRHDHEIBE-CROMWVBPSA-N 1 0 439.899 1.950 50 0 IDAARO C[N@@H+]1CCC[C@@H](C(=O)NCCc2nnc3n2CCN(Cc2ccccc2Cl)CC3)C1 ZINC000012182957 523813439 /nfs/dbraw/zinc/81/34/39/523813439.db2.gz YZLVZRORFDZNKY-GOSISDBHSA-N 1 0 430.984 1.990 50 0 IDAARO C[NH+]1CCN(CCNC(=O)C2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)CC1 ZINC000020557055 523901953 /nfs/dbraw/zinc/90/19/53/523901953.db2.gz SHBIIEHNLKOSJH-UHFFFAOYSA-N 1 0 440.596 1.133 50 0 IDAARO C[NH+]1CCN(CCNC(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)cc2)CC1 ZINC000021527879 523903867 /nfs/dbraw/zinc/90/38/67/523903867.db2.gz KZIQRTWXMIONPC-UHFFFAOYSA-N 1 0 444.539 1.675 50 0 IDAARO Cn1c2nc(CN3CC[NH+](C)CC3)n(Cc3cccc4ccccc43)c2c(=O)n(C)c1=O ZINC000020533165 523913712 /nfs/dbraw/zinc/91/37/12/523913712.db2.gz NHTXQCCBYCUSAV-UHFFFAOYSA-N 1 0 432.528 1.383 50 0 IDAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)Nc2cccc(F)c2)c2ccc3c(c2)OCO3)CC1 ZINC000022851264 523917701 /nfs/dbraw/zinc/91/77/01/523917701.db2.gz QNHNNKPHIDAGBL-SFHVURJKSA-N 1 0 428.464 1.598 50 0 IDAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)Nc2cccc(F)c2)c2ccc3c(c2)OCO3)CC1 ZINC000022851266 523919325 /nfs/dbraw/zinc/91/93/25/523919325.db2.gz QNHNNKPHIDAGBL-GOSISDBHSA-N 1 0 428.464 1.598 50 0 IDAARO C[NH+](C)CCCNC(=O)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020614944 524055803 /nfs/dbraw/zinc/05/58/03/524055803.db2.gz GGBCUSHDEYPMBW-KRWDZBQOSA-N 1 0 441.937 1.632 50 0 IDAARO Cc1ccc(Cn2c(=O)c(=O)n(CC(=O)NCCC[NH+]3CCCC3)c3cccnc32)cc1 ZINC000035450416 524761716 /nfs/dbraw/zinc/76/17/16/524761716.db2.gz ASWOQZMFAKMKFF-UHFFFAOYSA-N 1 0 435.528 1.517 50 0 IDAARO Cc1cc(N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c2ccccc2[nH+]1 ZINC000012760287 525080270 /nfs/dbraw/zinc/08/02/70/525080270.db2.gz IERXQTMWDJLJFS-UHFFFAOYSA-N 1 0 446.554 1.702 50 0 IDAARO C[C@H](Oc1cccc(Cl)c1)C(=O)NCCn1cc(C(=O)N2CCC[N@H+](C)CC2)nn1 ZINC000012450435 525945860 /nfs/dbraw/zinc/94/58/60/525945860.db2.gz YLDRVWHYKWTFJB-HNNXBMFYSA-N 1 0 434.928 1.293 50 0 IDAARO COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NCC2CC[NH+](C(C)C)CC2)c1OC ZINC000012298650 525947475 /nfs/dbraw/zinc/94/74/75/525947475.db2.gz OYFLCCUYFNBXKD-FQEVSTJZSA-N 1 0 446.592 1.631 50 0 IDAARO 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UHPXLZNEBPUDKA-UHFFFAOYSA-N 1 0 445.541 1.864 50 0 IDAARO C[N@H+]1CC=C(c2noc(CCC(=O)NCCN3CCN(c4ccccc4F)CC3)n2)CC1 ZINC000033069162 556839975 /nfs/dbraw/zinc/83/99/75/556839975.db2.gz WKCOKWWPMOKDBG-UHFFFAOYSA-N 1 0 442.539 1.799 50 0 IDAARO COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C2=O)cc1 ZINC000526052434 556850204 /nfs/dbraw/zinc/85/02/04/556850204.db2.gz NZYNUBLWEHOQJT-JBACZVJFSA-N 1 0 442.560 1.929 50 0 IDAARO COc1ccc(S(N)(=O)=O)cc1C(=O)NCCC[NH+]1CCN(c2ccccc2C)CC1 ZINC000071404349 556880521 /nfs/dbraw/zinc/88/05/21/556880521.db2.gz VPXJGUGQNFRQEO-UHFFFAOYSA-N 1 0 446.573 1.593 50 0 IDAARO CC[NH+]1CCN(CCCNC(=O)C2CCN(c3ccc(N4CCCC4)nn3)CC2)CC1 ZINC000033256137 556895326 /nfs/dbraw/zinc/89/53/26/556895326.db2.gz ZKVPNUIOOVFLJV-UHFFFAOYSA-N 1 0 429.613 1.437 50 0 IDAARO COC(=O)c1c(OCCN2CCCC2=O)cc(=O)n2c1CC[N@H+](Cc1cccs1)CC2 ZINC000019835653 556928031 /nfs/dbraw/zinc/92/80/31/556928031.db2.gz WMRNLOQZRRVJAV-UHFFFAOYSA-N 1 0 445.541 1.756 50 0 IDAARO COc1ccccc1N1CCN([C@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)C[C@@H]2O)CC1 ZINC000019838336 556928683 /nfs/dbraw/zinc/92/86/83/556928683.db2.gz LTALTUKJZFZFOI-SFTDATJTSA-N 1 0 425.529 1.834 50 0 IDAARO CC[NH+]1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(Cl)c2)CC1 ZINC000020029386 556968464 /nfs/dbraw/zinc/96/84/64/556968464.db2.gz DOSVTZUPCMZENQ-UHFFFAOYSA-N 1 0 430.940 1.273 50 0 IDAARO O=S(=O)(c1ccc(Cl)c2ncccc12)N1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000097163880 556994157 /nfs/dbraw/zinc/99/41/57/556994157.db2.gz DEZCPEOPYSXARM-CQSZACIVSA-N 1 0 443.978 1.818 50 0 IDAARO CN(C(=O)Cn1nc(C(=O)N2CCN(C)CC2)cc1-c1cccs1)C1CC[NH+](C)CC1 ZINC000023142214 557024714 /nfs/dbraw/zinc/02/47/14/557024714.db2.gz LOMLOEOUYUCPHS-UHFFFAOYSA-N 1 0 444.605 1.552 50 0 IDAARO CC[NH+]1CCN([C@@H](CNC(=O)C(=O)NCCc2ccc(OC)cc2)c2cccnc2)CC1 ZINC000023203171 557087921 /nfs/dbraw/zinc/08/79/21/557087921.db2.gz SWKIEDUNDYSRCK-QFIPXVFZSA-N 1 0 439.560 1.244 50 0 IDAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)Nc2cccc(-n3cnnc3)c2)c2ccccc2)CC1 ZINC000049550240 557112902 /nfs/dbraw/zinc/11/29/02/557112902.db2.gz DXVNNMNRRIZMJP-NRFANRHFSA-N 1 0 433.516 1.311 50 0 IDAARO C[C@@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000023249306 557133894 /nfs/dbraw/zinc/13/38/94/557133894.db2.gz HTAPJCQELODOCX-UZLBHIALSA-N 1 0 432.546 1.324 50 0 IDAARO Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000023249266 557133926 /nfs/dbraw/zinc/13/39/26/557133926.db2.gz HGJQGTFCJFITTE-UHFFFAOYSA-N 1 0 434.606 1.633 50 0 IDAARO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1)Cc1ccccc1 ZINC000024688226 557158715 /nfs/dbraw/zinc/15/87/15/557158715.db2.gz YIHBCJSWNCNTCT-QGZVFWFLSA-N 1 0 425.576 1.565 50 0 IDAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)N(C)C(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000096210253 557182859 /nfs/dbraw/zinc/18/28/59/557182859.db2.gz ADSAOUQVCRQSCV-FQEVSTJZSA-N 1 0 432.521 1.465 50 0 IDAARO CCn1c(=O)c2ccccc2n(CC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000025862389 557228844 /nfs/dbraw/zinc/22/88/44/557228844.db2.gz QNRCGEBVQBSYBA-UHFFFAOYSA-N 1 0 449.555 1.512 50 0 IDAARO CCOC(=O)C1=C(O)NC(N2CCN(C(=O)OCC)CC2)=[NH+][C@@H]1c1ccc(Cl)cc1 ZINC000018077702 557235324 /nfs/dbraw/zinc/23/53/24/557235324.db2.gz BHXUCWXFUBANPW-JKSUJKDBSA-N 1 0 436.896 1.820 50 0 IDAARO CCOC(=O)C1=C(O)NC(N2CCN(C(=O)OCC)CC2)=[NH+][C@@H]1c1ccc(Cl)cc1 ZINC000018077699 557235366 /nfs/dbraw/zinc/23/53/66/557235366.db2.gz BHXUCWXFUBANPW-HZPDHXFCSA-N 1 0 436.896 1.820 50 0 IDAARO CCC[NH+](CCC)CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC000027270841 557259757 /nfs/dbraw/zinc/25/97/57/557259757.db2.gz NGXUPIQBTDDNEO-UHFFFAOYSA-N 1 0 427.567 1.659 50 0 IDAARO COc1ccc([C@@H](CNC(=O)CCNC2=NS(=O)(=O)c3ccccc32)[NH+](C)C)cc1 ZINC000014119102 557307464 /nfs/dbraw/zinc/30/74/64/557307464.db2.gz WUNJDQSNKNPEHC-GOSISDBHSA-N 1 0 430.530 1.543 50 0 IDAARO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCN2CC[NH+](C)CC2)c1 ZINC000033131396 557325547 /nfs/dbraw/zinc/32/55/47/557325547.db2.gz HMMVUXFIVGWPKE-UHFFFAOYSA-N 1 0 431.002 1.738 50 0 IDAARO CCN1CCC[C@@H]1C[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000023352034 557350481 /nfs/dbraw/zinc/35/04/81/557350481.db2.gz RSOYBLPYTIHWMG-OAQYLSRUSA-N 1 0 444.601 1.747 50 0 IDAARO C[C@@H]1C[NH+](CCCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000023509119 557364653 /nfs/dbraw/zinc/36/46/53/557364653.db2.gz SOTMWPZMBGAXQR-IAGOWNOFSA-N 1 0 441.569 1.842 50 0 IDAARO Cn1c2ccc(NC(=O)C(=O)NCCCN3CC[NH+](C)CC3)cc2nc1C(F)(F)F ZINC000044902520 557540483 /nfs/dbraw/zinc/54/04/83/557540483.db2.gz ZEUCMGLKWHQTHC-UHFFFAOYSA-N 1 0 426.443 1.284 50 0 IDAARO COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000108388386 557542716 /nfs/dbraw/zinc/54/27/16/557542716.db2.gz XQXIDAKSCBEZAG-LJCCNALRSA-N 1 0 439.578 1.198 50 0 IDAARO NS(=O)(=O)c1ccc(CCNC(=O)C[NH2+]CCc2ccc(C(F)(F)F)cc2)cc1 ZINC000003338999 562934462 /nfs/dbraw/zinc/93/44/62/562934462.db2.gz AGDAYXREYGWLBJ-UHFFFAOYSA-N 1 0 429.464 1.844 50 0 IDAARO COc1ccccc1CNC(=O)[C@H](C)NC(=O)C1CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC000004084053 562941666 /nfs/dbraw/zinc/94/16/66/562941666.db2.gz BRFNOJXPTOLWMI-LPHOPBHVSA-N 1 0 432.565 1.428 50 0 biogenic IDAARO CC(C)Cc1cc(C(=O)N2CCC([NH+]3CCC(C(=O)N4CCOCC4)CC3)CC2)[nH]n1 ZINC000012301324 562981045 /nfs/dbraw/zinc/98/10/45/562981045.db2.gz PQDROMHCEFPCMS-UHFFFAOYSA-N 1 0 431.581 1.784 50 0 IDAARO CCOC(=O)N1CCN(C(=O)c2ccc(N3CCC([NH2+]CCC(=O)OC)CC3)cc2)CC1 ZINC000299770009 568756498 /nfs/dbraw/zinc/75/64/98/568756498.db2.gz KUGDSQQOWUJCNG-UHFFFAOYSA-N 1 0 446.548 1.722 50 0 IDAARO COc1ccc(C[NH+]2CCC(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)CC2)cc1 ZINC000263585737 568759325 /nfs/dbraw/zinc/75/93/25/568759325.db2.gz LVPMTMUSYKBGNY-NRFANRHFSA-N 1 0 436.512 1.917 50 0 biogenic IDAARO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccccc2)C3)CC1 ZINC000263617554 568777279 /nfs/dbraw/zinc/77/72/79/568777279.db2.gz OIWYLSAYKHOENC-HXUWFJFHSA-N 1 0 425.533 1.685 50 0 IDAARO CC(C)CCNC(=O)[C@@]1(C)Cn2nc(C(=O)NCC[NH+]3CCCCCC3)cc2C(=O)N1C ZINC000015723764 568812321 /nfs/dbraw/zinc/81/23/21/568812321.db2.gz YMVVIOXKUUXQMB-HSZRJFAPSA-N 1 0 446.596 1.496 50 0 IDAARO CC[NH+]1CCN(c2ccc(N3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)nn2)CC1 ZINC000015882351 568856337 /nfs/dbraw/zinc/85/63/37/568856337.db2.gz OTSGEKQFKAOEAD-UHFFFAOYSA-N 1 0 444.605 1.746 50 0 IDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000015970500 568861410 /nfs/dbraw/zinc/86/14/10/568861410.db2.gz WDTCIIAPTUSGIT-HSGJQSDISA-N 1 0 444.491 1.777 50 0 biogenic IDAARO O=C1Nc2ccccc2[C@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000016026543 568864544 /nfs/dbraw/zinc/86/45/44/568864544.db2.gz RCCFYGVMSRDYLO-BYPPRKSQSA-N 1 0 447.491 1.534 50 0 biogenic IDAARO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000036408666 568905768 /nfs/dbraw/zinc/90/57/68/568905768.db2.gz JVCFOTLYRLWUKM-QZTJIDSGSA-N 1 0 437.562 1.183 50 0 IDAARO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000239760868 568911673 /nfs/dbraw/zinc/91/16/73/568911673.db2.gz CIFQGUKLIULJCB-PMACEKPBSA-N 1 0 434.606 1.387 50 0 IDAARO C[NH+]1CCN(CCOc2ccc(NC(=O)C(=O)NCCc3cccc(O)c3)cc2)CC1 ZINC000089382700 568921326 /nfs/dbraw/zinc/92/13/26/568921326.db2.gz JZWKFLGFVZCUPL-UHFFFAOYSA-N 1 0 426.517 1.316 50 0 IDAARO CC[NH+](CC)CCNC(=O)CCC(=O)N1CCc2c(c(C(=O)N3CCCCC3)nn2C)C1 ZINC000064565503 568932549 /nfs/dbraw/zinc/93/25/49/568932549.db2.gz QAACCNKTAJRUCH-UHFFFAOYSA-N 1 0 446.596 1.169 50 0 IDAARO CC[C@@H](C(=O)NCCCN1CC[NH+](CC)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787522 568956321 /nfs/dbraw/zinc/95/63/21/568956321.db2.gz IBUFIBAZPIKNAK-FQEVSTJZSA-N 1 0 438.576 1.983 50 0 IDAARO Cn1c2c(C(=O)NCc3cccnc3)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2 ZINC000064836060 568969185 /nfs/dbraw/zinc/96/91/85/568969185.db2.gz ZJPUNBKVCZPOJL-UHFFFAOYSA-N 1 0 428.496 1.916 50 0 IDAARO O=C(CCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21)NCCC[NH+]1CCCC1 ZINC000064889227 568980480 /nfs/dbraw/zinc/98/04/80/568980480.db2.gz KFKDFIKZWNXQCH-UHFFFAOYSA-N 1 0 434.566 1.208 50 0 IDAARO C[NH+](C)CCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)COCc2ccccc2)CC1 ZINC000036256174 568985011 /nfs/dbraw/zinc/98/50/11/568985011.db2.gz RFCZANGYSAHZLC-QHCPKHFHSA-N 1 0 430.593 1.584 50 0 IDAARO C[NH+](C)CCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)COCc2ccccc2)CC1 ZINC000036256172 568985026 /nfs/dbraw/zinc/98/50/26/568985026.db2.gz RFCZANGYSAHZLC-HSZRJFAPSA-N 1 0 430.593 1.584 50 0 IDAARO Cn1c(=O)c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nn(-c2ccc(Cl)cc2)c1=O ZINC000064966856 569001463 /nfs/dbraw/zinc/00/14/63/569001463.db2.gz KMTWJNOMLPBZNR-UHFFFAOYSA-N 1 0 431.924 1.675 50 0 IDAARO CCN(Cc1ccccc1)C(=O)c1cc(NS(=O)(=O)CC)cnc1N1CC[NH2+]CC1 ZINC000065025149 569090371 /nfs/dbraw/zinc/09/03/71/569090371.db2.gz IOTQSBRNLAVPKJ-UHFFFAOYSA-N 1 0 431.562 1.915 50 0 IDAARO CN1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)c2)CC1 ZINC000036386308 569093157 /nfs/dbraw/zinc/09/31/57/569093157.db2.gz VZIBQGWNCTZGOZ-HXUWFJFHSA-N 1 0 446.573 1.783 50 0 IDAARO Cc1noc(C)c1S(=O)(=O)N1CCC([C@H](C)C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000065061518 569096815 /nfs/dbraw/zinc/09/68/15/569096815.db2.gz GZZLILKGTYBVTO-HNNXBMFYSA-N 1 0 426.583 1.930 50 0 IDAARO C[NH+]1CCN(CCNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CC23CCCCC3)CC1 ZINC000065259745 569124690 /nfs/dbraw/zinc/12/46/90/569124690.db2.gz QSYOWQZPDLUPAB-OAQYLSRUSA-N 1 0 448.633 1.621 50 0 biogenic IDAARO CC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)N2CC[NH+](CC(C)C)CC2)CC3)CC1 ZINC000065273765 569128265 /nfs/dbraw/zinc/12/82/65/569128265.db2.gz SZAAIXOJFPKZPY-SFHVURJKSA-N 1 0 433.622 1.717 50 0 IDAARO COc1ccccc1N1CC[NH+](CCCNC(=O)c2c(C)oc3ncn(C)c(=O)c32)CC1 ZINC000065329551 569136978 /nfs/dbraw/zinc/13/69/78/569136978.db2.gz ZKKBFYQUEXHRSY-UHFFFAOYSA-N 1 0 439.516 1.786 50 0 IDAARO O=C([O-])[C@@H](CC(=O)Nc1ccc2c(c1)OCCO2)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000071283925 569150814 /nfs/dbraw/zinc/15/08/14/569150814.db2.gz KXQIDEDTLDQZEM-SFHVURJKSA-N 1 0 446.548 1.201 50 0 IDAARO CC1CC[NH+]([C@H](CNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c2cccs2)CC1 ZINC000014515247 569159268 /nfs/dbraw/zinc/15/92/68/569159268.db2.gz WGMOMLFVDKEACP-OAHLLOKOSA-N 1 0 444.561 1.085 50 0 IDAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000089794415 569164093 /nfs/dbraw/zinc/16/40/93/569164093.db2.gz CDXXPWQTDPUNHN-NVXWUHKLSA-N 1 0 436.534 1.088 50 0 IDAARO C[NH+]1CCN(c2ccc(NC(=O)c3c4c(nn3[C@H]3CCS(=O)(=O)C3)CCC4)cc2)CC1 ZINC000016850897 569164817 /nfs/dbraw/zinc/16/48/17/569164817.db2.gz ZRWWXGAKBGHKAV-SFHVURJKSA-N 1 0 443.573 1.736 50 0 IDAARO COc1ccc(C)cc1S(=O)(=O)N1CCN(c2nc(N3CCOCC3)cc(C)[nH+]2)CC1 ZINC000017026493 569171142 /nfs/dbraw/zinc/17/11/42/569171142.db2.gz FHWIZKUCWUEKGX-UHFFFAOYSA-N 1 0 447.561 1.450 50 0 IDAARO C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@H](CCC(N)=O)[NH2+][C@]3(c4ccccc4NC3=O)[C@H]2C1=O ZINC000252019042 569172142 /nfs/dbraw/zinc/17/21/42/569172142.db2.gz XKLVJEDXEYQMDS-HDMWKYBNSA-N 1 0 432.480 1.434 50 0 IDAARO O=C1Nc2ccccc2[C@@]12[NH2+][C@@H](Cc1ccccc1)[C@H]1C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000253487810 569283006 /nfs/dbraw/zinc/28/30/06/569283006.db2.gz QWTPFGWYUWQUJX-WEAVEQPUSA-N 1 0 431.492 1.829 50 0 IDAARO O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000078878527 569319889 /nfs/dbraw/zinc/31/98/89/569319889.db2.gz NYZHANYQZSFEDM-CQSZACIVSA-N 1 0 448.614 1.887 50 0 IDAARO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[NH2+][C@@](C)(CC)CC(=O)OC ZINC000079075173 569324714 /nfs/dbraw/zinc/32/47/14/569324714.db2.gz WCGMWYWQCGTKAS-IBGZPJMESA-N 1 0 427.523 1.853 50 0 IDAARO CN(C[C@@H](O)CN1CC[NH+](C)CC1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000095406735 569364686 /nfs/dbraw/zinc/36/46/86/569364686.db2.gz TWYISXCDROWVAC-UYAOXDASSA-N 1 0 436.984 1.259 50 0 IDAARO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1CCC([N@@H+](C)CC(=O)NC(C)C)CC1 ZINC000095432328 569366224 /nfs/dbraw/zinc/36/62/24/569366224.db2.gz VHEHCBANRLLRRF-QFIPXVFZSA-N 1 0 428.577 1.970 50 0 IDAARO CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)c1 ZINC000095454980 569368539 /nfs/dbraw/zinc/36/85/39/569368539.db2.gz GBENWZOMWXKCCT-MRXNPFEDSA-N 1 0 441.573 1.710 50 0 IDAARO CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(CCN3CC[NH+](C)CC3)c2)cc1 ZINC000095457790 569369032 /nfs/dbraw/zinc/36/90/32/569369032.db2.gz ODFPAPPNCTVXFH-UHFFFAOYSA-N 1 0 430.574 1.979 50 0 IDAARO O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000097011995 569402820 /nfs/dbraw/zinc/40/28/20/569402820.db2.gz ZAZXVYKGJOKJDT-URVUXULASA-N 1 0 446.617 1.985 50 0 IDAARO Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)C[NH+]3CCC(C)CC3)C2)cnn1C ZINC000002732583 569419525 /nfs/dbraw/zinc/41/95/25/569419525.db2.gz LGWUUUPUHWVZJA-AEFFLSMTSA-N 1 0 425.599 1.366 50 0 IDAARO Cn1c2nc(N3CC[NH+](Cc4ccccc4)CC3)n(CCc3ccccc3)c2c(=O)[nH]c1=O ZINC000056952809 569428584 /nfs/dbraw/zinc/42/85/84/569428584.db2.gz SHWYVGKLRUDTMV-UHFFFAOYSA-N 1 0 444.539 1.988 50 0 IDAARO O=C(CNC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)NCC[NH+]1CCCCCC1 ZINC000003042299 569438543 /nfs/dbraw/zinc/43/85/43/569438543.db2.gz VJBAGWRBSNRCRN-MSOLQXFVSA-N 1 0 431.606 1.134 50 0 IDAARO COCCn1c(N2CC[NH+](Cc3cc(C)ccc3C)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000004316553 569461985 /nfs/dbraw/zinc/46/19/85/569461985.db2.gz RDHWCCYATLKOJQ-UHFFFAOYSA-N 1 0 426.521 1.009 50 0 IDAARO Cc1nc(N2CCCC2)cc(NCCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[nH+]1 ZINC000038670689 569466443 /nfs/dbraw/zinc/46/64/43/569466443.db2.gz VDZXNXQNCOTXFV-UHFFFAOYSA-N 1 0 432.550 1.477 50 0 IDAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)NC(=O)N[C@H]1c1cc(OC)c(OC)cc1OC ZINC000067287412 569467199 /nfs/dbraw/zinc/46/71/99/569467199.db2.gz YQMMCDXAEHUHAN-FQEVSTJZSA-N 1 0 448.520 1.131 50 0 IDAARO Cn1c2nc3n(c2c(=O)n(C)c1=O)CC(c1ccc(F)cc1)=NN3CC[NH+]1CCCCC1 ZINC000008710205 569470902 /nfs/dbraw/zinc/47/09/02/569470902.db2.gz GSUUUXMISIBSQE-UHFFFAOYSA-N 1 0 439.495 1.283 50 0 IDAARO COC(=O)C1CC[NH+](CC2(O)CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000008782134 569475746 /nfs/dbraw/zinc/47/57/46/569475746.db2.gz VGNIAECTPVGFQA-UHFFFAOYSA-N 1 0 430.954 1.741 50 0 IDAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)C1 ZINC000040142368 569491828 /nfs/dbraw/zinc/49/18/28/569491828.db2.gz JQDDWODBZIUYMS-IYBDPMFKSA-N 1 0 429.608 1.867 50 0 IDAARO CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(Cl)cc2Cl)CC1 ZINC000008973325 569492816 /nfs/dbraw/zinc/49/28/16/569492816.db2.gz FFTXYWNVZHYJRZ-UHFFFAOYSA-N 1 0 437.331 1.920 50 0 IDAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000245343427 569504460 /nfs/dbraw/zinc/50/44/60/569504460.db2.gz OQXOPCSVFMZODY-OALUTQOASA-N 1 0 430.615 1.046 50 0 IDAARO Cc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)n1-c1cccc(OCC[NH+]2CCCCC2)c1 ZINC000009420777 569532716 /nfs/dbraw/zinc/53/27/16/569532716.db2.gz NPLHBXZCCRPYNS-UHFFFAOYSA-N 1 0 436.516 1.849 50 0 IDAARO C[NH+](C)[C@H](CNC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000009504142 569541863 /nfs/dbraw/zinc/54/18/63/569541863.db2.gz KMLIOWAMISSRKB-GOSISDBHSA-N 1 0 433.530 1.545 50 0 IDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCCNC(=O)Cn1cnc2sc(C)c(C)c2c1=O ZINC000009775718 569567008 /nfs/dbraw/zinc/56/70/08/569567008.db2.gz UQVCDKDNTXUWQD-MRXNPFEDSA-N 1 0 433.578 1.572 50 0 IDAARO COCC(=O)N1CCC([NH+]2CCC(C(=O)NCCc3ccc(OC)c(OC)c3)CC2)CC1 ZINC000034915882 569587720 /nfs/dbraw/zinc/58/77/20/569587720.db2.gz ZFLGGNKJFBLXBM-UHFFFAOYSA-N 1 0 447.576 1.712 50 0 IDAARO C=CCN1C2=C(C(=O)N(CC(=O)NCC[NH+](C)C)C2)[C@H](c2ccc(C)cc2C)NC1=O ZINC000035971855 569587787 /nfs/dbraw/zinc/58/77/87/569587787.db2.gz DVZJVWFLSQRNSH-NRFANRHFSA-N 1 0 425.533 1.330 50 0 IDAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ncccn3)CC2)=[NH+][C@H]1c1ccccc1OC ZINC000008990459 132299419 /nfs/dbraw/zinc/29/94/19/132299419.db2.gz OREUEFQZCPQKON-MSOLQXFVSA-N 1 0 438.488 1.014 50 0 IDAARO CC(C)CCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000020533480 519700410 /nfs/dbraw/zinc/70/04/10/519700410.db2.gz DLRGHJDVKISZIR-UHFFFAOYSA-N 1 0 438.576 1.798 50 0 IDAARO CC(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(C)(C)[NH+]2CCCCC2)cc1 ZINC000022622590 519733008 /nfs/dbraw/zinc/73/30/08/519733008.db2.gz GGIXPGRIHYPLQC-UHFFFAOYSA-N 1 0 438.594 1.484 50 0 IDAARO CCC[NH+]1CCN(C(=O)CN2c3cc(C(=O)N(C)C)ccc3N3CCCC[C@@H]3C2=O)CC1 ZINC000021941957 519855855 /nfs/dbraw/zinc/85/58/55/519855855.db2.gz RPJVWRBSXMHCSP-HXUWFJFHSA-N 1 0 441.576 1.648 50 0 IDAARO CC[NH+](CC)CCNC(=O)[C@H]1Cc2cc(S(=O)(=O)N3CCCC3)ccc2N1C(C)=O ZINC000021022224 520681058 /nfs/dbraw/zinc/68/10/58/520681058.db2.gz LYUBDMQUPRDTGQ-HXUWFJFHSA-N 1 0 436.578 1.207 50 0 IDAARO CCN1C(=O)c2cc(C(=O)NCC[NH+](CC)CC)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021530992 520683161 /nfs/dbraw/zinc/68/31/61/520683161.db2.gz GTRUTNQQFBPDHI-JOCHJYFZSA-N 1 0 432.569 1.248 50 0 IDAARO CCOc1cc(C[N@H+]2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)ccc1O ZINC000020779628 520699123 /nfs/dbraw/zinc/69/91/23/520699123.db2.gz ZGNXUVMOUGLRFD-UHFFFAOYSA-N 1 0 436.516 1.808 50 0 IDAARO CCOC(=O)c1sc(NC(=O)C[NH2+]CCN2CCOCC2)c(C(=O)OCC)c1C ZINC000021540765 521612707 /nfs/dbraw/zinc/61/27/07/521612707.db2.gz HPODDOPAONWRLH-UHFFFAOYSA-N 1 0 427.523 1.270 50 0 IDAARO CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000021887764 521663664 /nfs/dbraw/zinc/66/36/64/521663664.db2.gz JLBMTLWRDDYCDL-INIZCTEOSA-N 1 0 441.594 1.425 50 0 biogenic IDAARO CC[NH+]1CCN([C@@H](CNC(=O)C(=O)NCc2ccc(OC)cc2)c2cccnc2)CC1 ZINC000022457153 521692037 /nfs/dbraw/zinc/69/20/37/521692037.db2.gz WUEVTZYSYFSWTO-NRFANRHFSA-N 1 0 425.533 1.201 50 0 IDAARO C[NH+](C)CCN[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 ZINC000022809172 521791744 /nfs/dbraw/zinc/79/17/44/521791744.db2.gz TUGSYRFFXODNRR-NRFANRHFSA-N 1 0 446.573 1.539 50 0 IDAARO COc1cc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@H]2CCCO2)cc(OC)c1OC ZINC000021534862 522061880 /nfs/dbraw/zinc/06/18/80/522061880.db2.gz GDYRJRDJCOLTLZ-QGZVFWFLSA-N 1 0 435.521 1.156 50 0 IDAARO COCC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000012099081 522778457 /nfs/dbraw/zinc/77/84/57/522778457.db2.gz FBBCZNZOAJZECK-GOSISDBHSA-N 1 0 443.548 1.957 50 0 IDAARO COC(=O)C1CC[NH+](C[C@H](O)COc2cccc(CN(C)Cc3cn(C)nc3C)c2)CC1 ZINC000012571158 522916242 /nfs/dbraw/zinc/91/62/42/522916242.db2.gz QIHGZPKYHOZYJT-QFIPXVFZSA-N 1 0 444.576 1.985 50 0 IDAARO COc1cc2c(cc1CN1CC[C@@H]([NH+]3CCN(c4ccccn4)CC3)[C@H](O)C1)OCO2 ZINC000020453758 522999405 /nfs/dbraw/zinc/99/94/05/522999405.db2.gz NDXZZHZTURRDBN-RTBURBONSA-N 1 0 426.517 1.576 50 0 IDAARO COCCCN(C(=O)C[NH+]1C2CCC1CC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012931976 523193598 /nfs/dbraw/zinc/19/35/98/523193598.db2.gz LWHHRKPICFQJOG-UHFFFAOYSA-N 1 0 441.532 1.163 50 0 IDAARO CCn1cnc(S(=O)(=O)N2CCC(C(=O)N3CCC([NH+]4CCCCC4)CC3)CC2)c1 ZINC000021927953 523565620 /nfs/dbraw/zinc/56/56/20/523565620.db2.gz KLSJWNQHRCUNEJ-UHFFFAOYSA-N 1 0 437.610 1.781 50 0 IDAARO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC(C(=O)Nc3ccc4c(c3)OCO4)CC1)C2=O ZINC000012681641 523787494 /nfs/dbraw/zinc/78/74/94/523787494.db2.gz NNCOFBQYPHYNFP-UHFFFAOYSA-N 1 0 443.504 1.040 50 0 IDAARO C[NH+]1CCN(CCCNC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)CC1 ZINC000020819586 523897915 /nfs/dbraw/zinc/89/79/15/523897915.db2.gz WIARJQCQIDTUQF-UHFFFAOYSA-N 1 0 436.500 1.225 50 0 IDAARO C[NH+]1CCN([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)c2ccc(F)cc2)CC1 ZINC000022795132 523918539 /nfs/dbraw/zinc/91/85/39/523918539.db2.gz WDCBBGZJSWUJEU-IBGZPJMESA-N 1 0 435.521 1.864 50 0 IDAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)c2ccc(F)cc2)CC1 ZINC000022796276 523918741 /nfs/dbraw/zinc/91/87/41/523918741.db2.gz WKSGSOABYULWHO-IBGZPJMESA-N 1 0 442.491 1.640 50 0 IDAARO CCc1ccc(S(=O)(=O)N2CCN(c3nc(N4CCOCC4)cc(C)[nH+]3)CC2)cc1 ZINC000022698410 524012890 /nfs/dbraw/zinc/01/28/90/524012890.db2.gz FUIMTCNEWGWSKM-UHFFFAOYSA-N 1 0 431.562 1.695 50 0 IDAARO COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCC2CC[NH+](C(C)C)CC2)cc1C ZINC000012003303 524033616 /nfs/dbraw/zinc/03/36/16/524033616.db2.gz YDBJUXMBHTVXGL-NRFANRHFSA-N 1 0 430.593 1.931 50 0 IDAARO COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)CC[NH+]2CCCCC2)c(OC)c1 ZINC000012373429 524034693 /nfs/dbraw/zinc/03/46/93/524034693.db2.gz NEYIZNKVWIAWBN-HXUWFJFHSA-N 1 0 432.565 1.339 50 0 IDAARO COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CC[NH+](C)CC2)cc1 ZINC000020614242 524461152 /nfs/dbraw/zinc/46/11/52/524461152.db2.gz YXPOEOIWDKFUHO-LJQANCHMSA-N 1 0 440.500 1.467 50 0 IDAARO Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)N2CC[NH+](C)CC2)cc1 ZINC000022796642 525953406 /nfs/dbraw/zinc/95/34/06/525953406.db2.gz QURCJBSIRAPDRH-FQEVSTJZSA-N 1 0 438.528 1.810 50 0 IDAARO Cc1ccc([C@H](CNC(=O)C(=O)NCCc2ccc(F)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022796515 525953869 /nfs/dbraw/zinc/95/38/69/525953869.db2.gz UMTDYRGOKZNMDN-QFIPXVFZSA-N 1 0 426.536 1.898 50 0 IDAARO C[C@H](c1ccon1)N(C)C(=O)C[C@@]1(c2ccccc2F)CC(=O)N(CC[NH+](C)C)C1=O ZINC000012161276 526160829 /nfs/dbraw/zinc/16/08/29/526160829.db2.gz WQTQCAHZWXJGCE-QRQCRPRQSA-N 1 0 430.480 1.982 50 0 IDAARO O=C(CCC(=O)N1CCCN(c2nc3cccnc3s2)CC1)NCC[NH+]1CCCC1 ZINC000035514966 526377752 /nfs/dbraw/zinc/37/77/52/526377752.db2.gz VPKPFAIEEPUWDK-UHFFFAOYSA-N 1 0 430.578 1.722 50 0 IDAARO O=C(NCc1nnc2n1CC[N@@H+](Cc1ccccc1-c1ccco1)CC2)[C@H]1CCC(=O)N1 ZINC000020453503 526839314 /nfs/dbraw/zinc/83/93/14/526839314.db2.gz VFDOEVARIDEEBQ-GOSISDBHSA-N 1 0 434.500 1.491 50 0 IDAARO Cn1c(C(=O)N2CCC(C(=O)NCCCN3CC[NH+](C)CC3)CC2)cc2sccc21 ZINC000020861987 527041714 /nfs/dbraw/zinc/04/17/14/527041714.db2.gz AZBJXNOGSBAIIQ-UHFFFAOYSA-N 1 0 431.606 1.846 50 0 IDAARO O=C1Nc2ccccc2[C@]12[NH2+][C@@H](Cc1ccccc1)[C@@H]1C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000020758741 527091818 /nfs/dbraw/zinc/09/18/18/527091818.db2.gz QWTPFGWYUWQUJX-IJEZHKBASA-N 1 0 431.492 1.829 50 0 biogenic IDAARO Cn1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012588308 527200456 /nfs/dbraw/zinc/20/04/56/527200456.db2.gz XTNISCNSZXORQM-GOSISDBHSA-N 1 0 426.517 1.929 50 0 IDAARO O=C(NCCC[NH+]1CCCC1)C1CCN(c2nn3c(nc4c(c3=O)CCCC4)s2)CC1 ZINC000021664200 527660812 /nfs/dbraw/zinc/66/08/12/527660812.db2.gz KQWGILUYPUFNCQ-UHFFFAOYSA-N 1 0 444.605 1.848 50 0 IDAARO C[NH+]1CCN(c2ccc(N3CCN(C(=O)c4ccc(Br)o4)CC3)nn2)CC1 ZINC000010213363 536422349 /nfs/dbraw/zinc/42/23/49/536422349.db2.gz WYJPGCVMJBLEMD-UHFFFAOYSA-N 1 0 435.326 1.546 50 0 IDAARO CC[NH+](CC)C[C@H](O)CN1CCN(Cc2nc(C(=O)Nc3cccc(F)c3)co2)CC1 ZINC000034677194 555795383 /nfs/dbraw/zinc/79/53/83/555795383.db2.gz SHIBPRUIOYRLFY-IBGZPJMESA-N 1 0 433.528 1.886 50 0 IDAARO COc1cc(OC)cc(C(=O)N2CCC([NH+]3CCC(C(=O)N4CCOCC4)CC3)CC2)c1 ZINC000034912244 555934157 /nfs/dbraw/zinc/93/41/57/555934157.db2.gz RIXNGKRFVOWVLR-UHFFFAOYSA-N 1 0 445.560 1.879 50 0 IDAARO Cc1c(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)C[NH+](C(C)C)C(C)C)C2)cnn1C ZINC000002732391 556134857 /nfs/dbraw/zinc/13/48/57/556134857.db2.gz GQHVSQUGHNTAPE-SJLPKXTDSA-N 1 0 427.615 1.753 50 0 IDAARO COc1cc(C[NH2+]CCNC(=O)c2nonc2N)ccc1OCc1ccc(Cl)nc1 ZINC000008437958 556173969 /nfs/dbraw/zinc/17/39/69/556173969.db2.gz KAGXPQNWDUENTM-UHFFFAOYSA-N 1 0 432.868 1.807 50 0 IDAARO CCOc1cc(C[NH2+]CCSc2nnnn2C)cc(Br)c1OCC(N)=O ZINC000008723268 556203652 /nfs/dbraw/zinc/20/36/52/556203652.db2.gz RFHLYJRGBCBBIA-UHFFFAOYSA-N 1 0 445.343 1.117 50 0 IDAARO COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(OC)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022778508 556244161 /nfs/dbraw/zinc/24/41/61/556244161.db2.gz YVURBCGLJKFUMG-NRFANRHFSA-N 1 0 426.517 1.747 50 0 IDAARO COc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000009971442 556319539 /nfs/dbraw/zinc/31/95/39/556319539.db2.gz ZJEYKYCDRSFLQP-UHFFFAOYSA-N 1 0 441.575 1.750 50 0 IDAARO Cc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](Cc2cccc(OCCO)c2)CC3)cc1 ZINC000011909631 556374639 /nfs/dbraw/zinc/37/46/39/556374639.db2.gz YTMBZEYZKPZHFJ-UHFFFAOYSA-N 1 0 449.555 1.988 50 0 IDAARO CCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]CCCN1CCOCC1)C2 ZINC000014542882 556426538 /nfs/dbraw/zinc/42/65/38/556426538.db2.gz VPOJOHHEXCUCRH-SFHVURJKSA-N 1 0 435.638 1.651 50 0 IDAARO Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@@H]([NH2+]CCCN1CCOCC1)C2 ZINC000014742205 556439129 /nfs/dbraw/zinc/43/91/29/556439129.db2.gz YZNYNXUTCHSCCV-GOSISDBHSA-N 1 0 429.540 1.658 50 0 IDAARO COc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)c(C)c1C ZINC000014887233 556455904 /nfs/dbraw/zinc/45/59/04/556455904.db2.gz PCTQTDHAQNRWED-FQEVSTJZSA-N 1 0 427.549 1.800 50 0 IDAARO CC[NH+]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000072284567 556475023 /nfs/dbraw/zinc/47/50/23/556475023.db2.gz JSVBWUKRQRBOTB-UHFFFAOYSA-N 1 0 436.622 1.455 50 0 IDAARO COCCC[N@H+](C)CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000072295869 556520467 /nfs/dbraw/zinc/52/04/67/556520467.db2.gz NTXOMLJTIXLWIX-IAGOWNOFSA-N 1 0 427.567 1.183 50 0 IDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2c1ccc(C)c2C ZINC000013573244 556523829 /nfs/dbraw/zinc/52/38/29/556523829.db2.gz GCIOUAJSSPCYOF-PBQROFAYSA-N 1 0 449.507 1.619 50 0 IDAARO CCc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)nc(C)[nH+]3)CC2)cc1 ZINC000015671304 556542721 /nfs/dbraw/zinc/54/27/21/556542721.db2.gz VNWNQDPMHLKQRB-UHFFFAOYSA-N 1 0 431.562 1.695 50 0 IDAARO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2c1ccc(C)c2C ZINC000016022188 556575635 /nfs/dbraw/zinc/57/56/35/556575635.db2.gz GCIOUAJSSPCYOF-PUFAWVJESA-N 1 0 449.507 1.619 50 0 IDAARO O=C(CCC(=O)N(C1CC1)C1CC[NH+](Cc2ccccc2)CC1)NCCN1CCOCC1 ZINC000016080245 556581962 /nfs/dbraw/zinc/58/19/62/556581962.db2.gz QODSDXVPNBEYJC-UHFFFAOYSA-N 1 0 442.604 1.871 50 0 IDAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000409413139 556640380 /nfs/dbraw/zinc/64/03/80/556640380.db2.gz DKZSICJNZLBYGL-FXAWDEMLSA-N 1 0 428.533 1.842 50 0 biogenic IDAARO C[C@@H]1CCCC[N@@H+]1CCN(CCS(=O)(=O)N1CCNCC1)C(=O)c1ccc(F)cc1 ZINC000046141050 556692118 /nfs/dbraw/zinc/69/21/18/556692118.db2.gz OTNQTMFBVMQXOS-GOSISDBHSA-N 1 0 440.585 1.377 50 0 IDAARO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1 ZINC000033024443 556695218 /nfs/dbraw/zinc/69/52/18/556695218.db2.gz ZHGCXEQOHIYVNE-UHFFFAOYSA-N 1 0 448.524 1.460 50 0 IDAARO Cc1cn2c(nc3c2c(=O)n(Cc2ccccc2)c(=O)n3C)n1CCC[NH+]1CCOCC1 ZINC000019201023 556707886 /nfs/dbraw/zinc/70/78/86/556707886.db2.gz NPDJKAGRNMHCJI-UHFFFAOYSA-N 1 0 436.516 1.228 50 0 IDAARO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)CN3C(=O)CSC3=O)C2)CC1 ZINC000055167429 556736630 /nfs/dbraw/zinc/73/66/30/556736630.db2.gz IVHQWVQLCSVUQI-INIZCTEOSA-N 1 0 432.546 1.504 50 0 IDAARO CC[NH+]1CCN(c2ccccc2NC(=O)C(=O)NC[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000058141154 556761052 /nfs/dbraw/zinc/76/10/52/556761052.db2.gz ZEZHLSZXCKUJDB-HXUWFJFHSA-N 1 0 432.471 1.895 50 0 IDAARO COc1ccc([C@@H](CNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)[NH+]2CCCC2)cc1 ZINC000058266654 556776804 /nfs/dbraw/zinc/77/68/04/556776804.db2.gz YBZLABOYNVVDJS-LJQANCHMSA-N 1 0 449.577 1.359 50 0 IDAARO COc1cc(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCOCC4)n3)CC2)cc(OC)c1 ZINC000064800248 556827278 /nfs/dbraw/zinc/82/72/78/556827278.db2.gz CMALGZACBRQETG-UHFFFAOYSA-N 1 0 442.520 1.993 50 0 IDAARO Cc1cc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc(N2CCCC2)[nH+]1 ZINC000065362081 556834070 /nfs/dbraw/zinc/83/40/70/556834070.db2.gz QBGWJLCUGZSEDC-UHFFFAOYSA-N 1 0 445.545 1.667 50 0 IDAARO Cc1cc(N2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)nc(N2CCOCC2)[nH+]1 ZINC000065363780 556835254 /nfs/dbraw/zinc/83/52/54/556835254.db2.gz SHEBPORAWKRWIM-UHFFFAOYSA-N 1 0 426.477 1.704 50 0 IDAARO Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)[nH+]1 ZINC000065365358 556835902 /nfs/dbraw/zinc/83/59/02/556835902.db2.gz KFMFNHOQZRETCT-UHFFFAOYSA-N 1 0 426.477 1.704 50 0 IDAARO Cc1cc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)nc(N2CCOCC2)[nH+]1 ZINC000067621926 556844746 /nfs/dbraw/zinc/84/47/46/556844746.db2.gz RMOGRKWFMMXECC-UHFFFAOYSA-N 1 0 435.484 1.690 50 0 IDAARO CC1CC[NH+](CCCNC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)CC1 ZINC000067630285 556845475 /nfs/dbraw/zinc/84/54/75/556845475.db2.gz IRDRJXJBJYPPAF-UHFFFAOYSA-N 1 0 436.622 1.616 50 0 IDAARO O=C1C[C@@H]([NH2+]C2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000019890320 556939192 /nfs/dbraw/zinc/93/91/92/556939192.db2.gz WIKVVFZUGKIAOX-LJQANCHMSA-N 1 0 431.489 1.901 50 0 IDAARO C[C@H](C(=O)NCCCN1CC[NH+](C)CC1)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944839 557027714 /nfs/dbraw/zinc/02/77/14/557027714.db2.gz NDMFFOCWFRQTFJ-CQSZACIVSA-N 1 0 425.455 1.730 50 0 IDAARO COc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000010815221 557029826 /nfs/dbraw/zinc/02/98/26/557029826.db2.gz WOKRZAGNKISKMA-UHFFFAOYSA-N 1 0 439.578 1.755 50 0 IDAARO COc1ccc(CN2CCN(CC(=O)N(C)C)CC2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000022926096 557048542 /nfs/dbraw/zinc/04/85/42/557048542.db2.gz KKPJEENKBABANO-NRFANRHFSA-N 1 0 448.608 1.127 50 0 IDAARO CCn1c2ccccc2n(Cc2ccc(C(=O)NCCN3CC[NH+](C)CC3)cc2)c(=O)c1=O ZINC000033272625 557052446 /nfs/dbraw/zinc/05/24/46/557052446.db2.gz HKTPZSKHHZXHBA-UHFFFAOYSA-N 1 0 449.555 1.209 50 0 IDAARO CC[NH+]1CCN([C@H](CNC(=O)C(=O)NCc2ccccc2OC)c2cccnc2)CC1 ZINC000023203187 557087903 /nfs/dbraw/zinc/08/79/03/557087903.db2.gz ATKBUXMMJHLFGM-HXUWFJFHSA-N 1 0 425.533 1.201 50 0 IDAARO COc1ccc(-c2cc3c(=O)n(CC(=O)NCCC[N@@H+]4CCC[C@H](C)C4)ncn3n2)cc1 ZINC000033331639 557115706 /nfs/dbraw/zinc/11/57/06/557115706.db2.gz YVMAPVWAMHMJTN-KRWDZBQOSA-N 1 0 438.532 1.805 50 0 IDAARO COCCN1C(=O)N(CC(=O)OC)C(=O)C12CC[NH+](Cc1nc3ccccc3s1)CC2 ZINC000014752212 557228075 /nfs/dbraw/zinc/22/80/75/557228075.db2.gz UMMZAOUZNDQERZ-UHFFFAOYSA-N 1 0 446.529 1.715 50 0 IDAARO C[C@@H]1C[N@@H+](CCCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000023509123 557364588 /nfs/dbraw/zinc/36/45/88/557364588.db2.gz SOTMWPZMBGAXQR-CALCHBBNSA-N 1 0 441.569 1.842 50 0 IDAARO COc1ccccc1N(C[C@H](O)CN1CCC[N@H+](C)CC1)S(=O)(=O)c1ccccc1 ZINC000106590897 557530644 /nfs/dbraw/zinc/53/06/44/557530644.db2.gz UNOYEAQQXDYAGQ-LJQANCHMSA-N 1 0 433.574 1.889 50 0 IDAARO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000107075936 557534560 /nfs/dbraw/zinc/53/45/60/557534560.db2.gz ILLGNPXGINGWKR-OAGGEKHMSA-N 1 0 429.608 1.772 50 0 IDAARO COc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCC(C)C)cc1OC ZINC000045944264 557552903 /nfs/dbraw/zinc/55/29/03/557552903.db2.gz AYOHCXRAZDEZOC-UHFFFAOYSA-N 1 0 427.567 1.563 50 0 IDAARO COc1ccc(S(=O)(=O)N(CCCOC(C)C)CCC(=O)N2CC[NH2+]CC2)cc1 ZINC000045944836 557553455 /nfs/dbraw/zinc/55/34/55/557553455.db2.gz VRSOZRVCAXFLSM-UHFFFAOYSA-N 1 0 427.567 1.323 50 0 IDAARO CCc1ccc(S(=O)(=O)N(CCCOC(C)C)CCC(=O)N2CC[NH2+]CC2)cc1 ZINC000045944876 557553534 /nfs/dbraw/zinc/55/35/34/557553534.db2.gz IXCSCDXHQDXZEG-UHFFFAOYSA-N 1 0 425.595 1.877 50 0 IDAARO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)C2=O)cc1 ZINC000225757765 557773513 /nfs/dbraw/zinc/77/35/13/557773513.db2.gz BQXXGJQZEKPWQY-JPYJTQIMSA-N 1 0 428.533 1.333 50 0 IDAARO CCOC(=O)N1CCN(C(=O)C[NH2+][C@H]2[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000239667188 557845089 /nfs/dbraw/zinc/84/50/89/557845089.db2.gz BPGQECNLLJJHQE-LZLYRXPVSA-N 1 0 426.558 1.911 50 0 IDAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)C1 ZINC000004115601 562942155 /nfs/dbraw/zinc/94/21/55/562942155.db2.gz HROCBIHWAKTJDV-OALUTQOASA-N 1 0 428.643 1.913 50 0 IDAARO CCCC[N@H+](C)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000008595803 562953715 /nfs/dbraw/zinc/95/37/15/562953715.db2.gz YPSCATNELRCLEL-HNNXBMFYSA-N 1 0 439.607 1.940 50 0 aggregator IDAARO CC[NH+]1CCN(CCCNC(=O)[C@H]2CCCN(c3nnc(-n4cccc4)s3)C2)CC1 ZINC000020414921 563024735 /nfs/dbraw/zinc/02/47/35/563024735.db2.gz DDGDICBAMPKPJO-SFHVURJKSA-N 1 0 431.610 1.689 50 0 IDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000036383560 563094205 /nfs/dbraw/zinc/09/42/05/563094205.db2.gz GEEQKJAEZUJADN-GJZGRUSLSA-N 1 0 437.591 1.693 50 0 IDAARO CCOC(=O)c1sc(NC(=O)C[NH2+]CCCN2CCOCC2)c(C(=O)OCC)c1C ZINC000025389191 568656255 /nfs/dbraw/zinc/65/62/55/568656255.db2.gz BACXVDLCAIGUJT-UHFFFAOYSA-N 1 0 441.550 1.660 50 0 IDAARO O=C(NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1nc2ccccc2[nH]1 ZINC000299789890 568757731 /nfs/dbraw/zinc/75/77/31/568757731.db2.gz AELWMHSNIQZVCT-SFHVURJKSA-N 1 0 425.533 1.642 50 0 IDAARO COC(=O)c1cn(C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)cc2c(=O)[nH]nc1-2 ZINC000263586202 568759280 /nfs/dbraw/zinc/75/92/80/568759280.db2.gz RFUGEPDPXVZEAD-CQSZACIVSA-N 1 0 426.429 1.429 50 0 biogenic IDAARO CN1CCc2c3ccccc3n(C[C@@H](O)C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c2C1=O ZINC000001323339 568780290 /nfs/dbraw/zinc/78/02/90/568780290.db2.gz JVMHZMCCBNIUKG-OTWHNJEPSA-N 1 0 446.551 1.911 50 0 biogenic IDAARO CCn1c2ccccc2nc(N2CCC(C(=O)NCCN3CC[NH+](CC)CC3)CC2)c1=O ZINC000085609877 568828107 /nfs/dbraw/zinc/82/81/07/568828107.db2.gz XNCQAXXHSOUBFM-UHFFFAOYSA-N 1 0 440.592 1.387 50 0 IDAARO COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC000015864185 568849499 /nfs/dbraw/zinc/84/94/99/568849499.db2.gz NABBZRWWDWEJSD-UHFFFAOYSA-N 1 0 437.949 1.971 50 0 IDAARO COc1cccc(CN(CC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000015864236 568849706 /nfs/dbraw/zinc/84/97/06/568849706.db2.gz GDVGSODEPQHTQF-UHFFFAOYSA-N 1 0 431.558 1.935 50 0 IDAARO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2cccc(C)c2)cc1OC ZINC000015864299 568849759 /nfs/dbraw/zinc/84/97/59/568849759.db2.gz CXAWLYJDZKJBJM-UHFFFAOYSA-N 1 0 447.557 1.635 50 0 IDAARO Cc1cccc(C)c1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCC(N)=O)[NH2+][C@@]21c2ccccc2NC1=O ZINC000015958473 568860341 /nfs/dbraw/zinc/86/03/41/568860341.db2.gz JDNBUCYFCINGLN-DOGKRZLPSA-N 1 0 432.480 1.494 50 0 biogenic IDAARO CSCC[C@@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]21 ZINC000015973367 568861373 /nfs/dbraw/zinc/86/13/73/568861373.db2.gz RHYOENXZKCWYKI-HRBDYDPXSA-N 1 0 449.960 1.993 50 0 IDAARO COCCN(C(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000016475111 568908855 /nfs/dbraw/zinc/90/88/55/568908855.db2.gz NIDZFJWELBEIGY-CALCHBBNSA-N 1 0 443.548 1.124 50 0 IDAARO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)cc2)C1 ZINC000239527569 568911747 /nfs/dbraw/zinc/91/17/47/568911747.db2.gz ATCQGZNHCZIYLC-POAQFYNOSA-N 1 0 433.574 1.893 50 0 IDAARO CCn1ccnc1-c1cccc(NC(=O)C(=O)Nc2cnn(C[C@H](O)C[NH+](C)C)c2)c1 ZINC000089310037 568920523 /nfs/dbraw/zinc/92/05/23/568920523.db2.gz DWIUATIYFVBHIN-GOSISDBHSA-N 1 0 425.493 1.266 50 0 IDAARO Cn1nc(C(=O)Nc2cccc(F)c2)c2c1CCN(C(=O)CCC(=O)NCC[NH+](C)C)C2 ZINC000064565585 568932453 /nfs/dbraw/zinc/93/24/53/568932453.db2.gz RDUUEAPVWAFUJP-UHFFFAOYSA-N 1 0 444.511 1.154 50 0 IDAARO CCOC(=O)C1=C(CN2CC[NH2+][C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(OC)cc1OC ZINC000035990794 568941760 /nfs/dbraw/zinc/94/17/60/568941760.db2.gz KIYXOXRFFPUAOO-VFNWGFHPSA-N 1 0 446.548 1.901 50 0 IDAARO Cc1ccc(Cn2c(=O)c(C(=O)NCC[NH+](C)C)nn(-c3cccc(Cl)c3)c2=O)cc1 ZINC000036087412 568948826 /nfs/dbraw/zinc/94/88/26/568948826.db2.gz AJIIPFBJKJJWNA-UHFFFAOYSA-N 1 0 441.919 1.696 50 0 IDAARO Cc1ccc(-n2nc(C(=O)NCC[NH+](C)C)c(=O)n(Cc3ccccc3F)c2=O)cc1 ZINC000036086576 568949005 /nfs/dbraw/zinc/94/90/05/568949005.db2.gz GCTPMGBFLWHORD-UHFFFAOYSA-N 1 0 425.464 1.181 50 0 IDAARO Cc1onc2c1c(C)nn(CC(=O)NCCC[NH+]1CCN(c3ccc(F)cc3)CC1)c2=O ZINC000064842282 568970671 /nfs/dbraw/zinc/97/06/71/568970671.db2.gz DAECDXBTVFZSPK-UHFFFAOYSA-N 1 0 442.495 1.469 50 0 IDAARO O=C(CCC(=O)N1CCN(c2nc3cccnc3s2)CC1)NCCC[NH+]1CCCC1 ZINC000064955552 568998571 /nfs/dbraw/zinc/99/85/71/568998571.db2.gz LLNGCXVREGWEMG-UHFFFAOYSA-N 1 0 430.578 1.722 50 0 IDAARO CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc(N4CCCC4)cc(C)[nH+]3)CC2)cc1 ZINC000064977950 569077703 /nfs/dbraw/zinc/07/77/03/569077703.db2.gz GJOYJMXMEBVIOW-UHFFFAOYSA-N 1 0 444.561 1.855 50 0 IDAARO CC[NH+](CC)CCNC(=O)CCC(=O)N1CCCN(c2nc3cccnc3s2)CC1 ZINC000065030733 569091346 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O=C(NCCn1ncc2c1ncnc2N1CC[NH+](Cc2ccccc2)CC1)c1cnccn1 ZINC000017179117 569175696 /nfs/dbraw/zinc/17/56/96/569175696.db2.gz LPICZHKTNYCFJL-UHFFFAOYSA-N 1 0 443.515 1.369 50 0 IDAARO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000252508977 569188489 /nfs/dbraw/zinc/18/84/89/569188489.db2.gz XZWHFCMDRYDKMC-KRWDZBQOSA-N 1 0 434.002 1.412 50 0 IDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CN1c2cc(C(=O)N(C)C)ccc2N2CCCC[C@@H]2C1=O ZINC000037448196 569197133 /nfs/dbraw/zinc/19/71/33/569197133.db2.gz QHXZUIGRIJFLNR-UYAOXDASSA-N 1 0 441.576 1.694 50 0 IDAARO CS[C@@H]1CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C[C@H]1[NH+]1CCCC1 ZINC000253370906 569264133 /nfs/dbraw/zinc/26/41/33/569264133.db2.gz XTJIQSKEPABWEI-QZTJIDSGSA-N 1 0 437.587 1.514 50 0 IDAARO COc1ccc(NC(=O)C[N@H+](C)[C@H]2CCC[C@@H]2O)cc1S(=O)(=O)N1CCCCC1 ZINC000079045822 569323125 /nfs/dbraw/zinc/32/31/25/569323125.db2.gz IBTNRIZEGJDDLD-IRXDYDNUSA-N 1 0 425.551 1.654 50 0 IDAARO Cc1nc2c(c(C)c1CCC(=O)NC[C@H]1CC[N@@H+](C3CCCC3)C1)c(=O)n(C)c(=O)n2C ZINC000020283916 569358893 /nfs/dbraw/zinc/35/88/93/569358893.db2.gz XYMWFVJKGKPHGL-QGZVFWFLSA-N 1 0 441.576 1.562 50 0 IDAARO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000095404751 569364295 /nfs/dbraw/zinc/36/42/95/569364295.db2.gz CIFQGUKLIULJCB-VQTJNVASSA-N 1 0 434.606 1.387 50 0 IDAARO COc1ccc(CCNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1 ZINC000095472014 569371983 /nfs/dbraw/zinc/37/19/83/569371983.db2.gz MBVPIUBMWHITCI-UHFFFAOYSA-N 1 0 431.558 1.912 50 0 IDAARO O=C(CN1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1)NCc1ccccc1OC(F)(F)F ZINC000095962959 569377253 /nfs/dbraw/zinc/37/72/53/569377253.db2.gz NHUKGOHGSNAZIM-MRXNPFEDSA-N 1 0 449.495 1.443 50 0 IDAARO CSc1cc2c(cc1NC(=O)N1CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC1)OCCO2 ZINC000095971985 569377457 /nfs/dbraw/zinc/37/74/57/569377457.db2.gz XTXKAXMBRRVNDK-AWEZNQCLSA-N 1 0 441.575 1.953 50 0 IDAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(C)C(=O)N[C@@H]1c1cc(OC)cc(OC)c1 ZINC000096210251 569386422 /nfs/dbraw/zinc/38/64/22/569386422.db2.gz KERQABHQBBAKSA-OAQYLSRUSA-N 1 0 446.548 1.855 50 0 IDAARO CN1C2=C(C(=O)N(C(C)(C)C(=O)NCC[NH+](C)C)C2)[C@@H](c2ccc(Cl)cc2)NC1=O ZINC000096291287 569391091 /nfs/dbraw/zinc/39/10/91/569391091.db2.gz VABZKQHBHPQCCS-QGZVFWFLSA-N 1 0 433.940 1.589 50 0 IDAARO COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)NCC[NH+](C)C ZINC000096324013 569395599 /nfs/dbraw/zinc/39/55/99/569395599.db2.gz VDOQYZYDRJRHJQ-UHFFFAOYSA-N 1 0 447.517 1.353 50 0 IDAARO O=C1CCc2cc(S(=O)(=O)NCC3CC[NH+](C4CCOCC4)CC3)cc3c2N1CC3 ZINC000225564998 569404597 /nfs/dbraw/zinc/40/45/97/569404597.db2.gz OSNKXAXKJTUGSE-UHFFFAOYSA-N 1 0 433.574 1.691 50 0 IDAARO Cc1cc(N2CCCCC2)nc(NCCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[nH+]1 ZINC000038670724 569466454 /nfs/dbraw/zinc/46/64/54/569466454.db2.gz SMDRKLISOBAMQB-UHFFFAOYSA-N 1 0 446.577 1.868 50 0 IDAARO CCOC(=O)C1=C(CN2CCC[N@H+](C)CC2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000067285911 569466977 /nfs/dbraw/zinc/46/69/77/569466977.db2.gz BUSTUKBUQGYUCX-FQEVSTJZSA-N 1 0 432.521 1.512 50 0 IDAARO CC(=O)O[C@H]1C[C@H](O)[C@]2(C)[C@H]1[C@H](C)C[C@@H]1OC(=O)[C@H](C[NH+]3CCCC3)[C@H]1[C@@H]2OC(C)=O ZINC000008739994 569472803 /nfs/dbraw/zinc/47/28/03/569472803.db2.gz MOYOJTXMWPQGBG-RSQUBLDASA-N 1 0 437.533 1.530 50 0 biogenic IDAARO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H]3c3cccn3C)CC2)cc1 ZINC000008918735 569486322 /nfs/dbraw/zinc/48/63/22/569486322.db2.gz DIFMDFSKQAXVOT-NRFANRHFSA-N 1 0 446.573 1.704 50 0 IDAARO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000040158454 569494562 /nfs/dbraw/zinc/49/45/62/569494562.db2.gz LYYDBXXSECSYAI-UHFFFAOYSA-N 1 0 439.582 1.282 50 0 IDAARO NC(=O)COc1ccc(S(=O)(=O)NCC2CC[NH+](C3CCSCC3)CC2)cc1 ZINC000244969190 569496656 /nfs/dbraw/zinc/49/66/56/569496656.db2.gz HDCXYPRSNDXCOV-UHFFFAOYSA-N 1 0 427.592 1.437 50 0 IDAARO CN(CC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1nnc(N2CCCC2=O)s1 ZINC000009288040 569519295 /nfs/dbraw/zinc/51/92/95/569519295.db2.gz JCTACZPUFKERJG-UHFFFAOYSA-N 1 0 428.562 1.882 50 0 IDAARO C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCCN2C2=NS(=O)(=O)c3ccccc32)cc1 ZINC000009455099 569536703 /nfs/dbraw/zinc/53/67/03/569536703.db2.gz YHTUAQFLIKCILN-LJQANCHMSA-N 1 0 426.542 1.978 50 0 IDAARO C[NH+](C)[C@@H](CNC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000009504139 569541861 /nfs/dbraw/zinc/54/18/61/569541861.db2.gz KMLIOWAMISSRKB-SFHVURJKSA-N 1 0 433.530 1.545 50 0 IDAARO O=C(Cn1cc(C(=O)C(=O)NCCC[NH+]2CCCCC2)c2ccccc21)N1CCOCC1 ZINC000009519417 569544256 /nfs/dbraw/zinc/54/42/56/569544256.db2.gz WEYGCFVQZBVOBC-UHFFFAOYSA-N 1 0 440.544 1.675 50 0 IDAARO CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2C[C@@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000009741523 569565247 /nfs/dbraw/zinc/56/52/47/569565247.db2.gz AIPWKSNXFWEVPE-OAQYLSRUSA-N 1 0 448.589 1.351 50 0 IDAARO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2C[NH+](C)C)cc1 ZINC000009917021 569573490 /nfs/dbraw/zinc/57/34/90/569573490.db2.gz WVLZIQLMXZGYRV-UHFFFAOYSA-N 1 0 432.546 1.644 50 0 IDAARO O=C(CC[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000009982964 569576572 /nfs/dbraw/zinc/57/65/72/569576572.db2.gz VSQNZZDZJCCCON-WNZYQOIOSA-N 1 0 446.592 1.742 50 0 IDAARO Cc1c(C)n2c(nc3c2c(=O)n(C)c(=O)n3C)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000009421703 132316544 /nfs/dbraw/zinc/31/65/44/132316544.db2.gz DNHGPEZGJDBBPF-UHFFFAOYSA-N 1 0 449.559 1.516 50 0 IDAARO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(N4C(=O)CCS4(=O)=O)c3)cc2)CC1 ZINC000011859483 132340710 /nfs/dbraw/zinc/34/07/10/132340710.db2.gz VVKSLMYRVNVVPX-UHFFFAOYSA-N 1 0 428.514 1.757 50 0 IDAARO CC(C)CN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000021534339 519715176 /nfs/dbraw/zinc/71/51/76/519715176.db2.gz PUCLAHCIWJWLRL-UHFFFAOYSA-N 1 0 432.384 1.918 50 0 IDAARO CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022796723 519721092 /nfs/dbraw/zinc/72/10/92/519721092.db2.gz BZFRNZBXWJULEC-QFIPXVFZSA-N 1 0 437.544 1.997 50 0 IDAARO CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)c1 ZINC000022796439 519741229 /nfs/dbraw/zinc/74/12/29/519741229.db2.gz AMLFMDNHJAKIQT-OAQYLSRUSA-N 1 0 441.507 1.828 50 0 IDAARO CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)c1 ZINC000022766426 519741368 /nfs/dbraw/zinc/74/13/68/519741368.db2.gz KTOPQLREBALPJU-IBGZPJMESA-N 1 0 429.546 1.750 50 0 IDAARO CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3nnnc1N1CC[NH2+]CC1 ZINC000020518674 520580325 /nfs/dbraw/zinc/58/03/25/520580325.db2.gz ZPBBLXUNZXBWKX-UHFFFAOYSA-N 1 0 441.561 1.732 50 0 IDAARO CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NCC[NH+](CC)CC)CC2=O)cc1 ZINC000022704482 520678380 /nfs/dbraw/zinc/67/83/80/520678380.db2.gz VIBQUUYLGSNWJY-QGZVFWFLSA-N 1 0 438.594 1.528 50 0 IDAARO CCOC(=O)CC[NH+]1CCN(c2c(-c3ccc(OC)c(OC)c3)cnc3ncnn32)CC1 ZINC000023427489 520679052 /nfs/dbraw/zinc/67/90/52/520679052.db2.gz 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/nfs/dbraw/zinc/64/24/38/556642438.db2.gz ZWUVSTHFULZESQ-UHFFFAOYSA-N 1 0 438.528 1.599 50 0 IDAARO CC(C)CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(F)cc2)CC1 ZINC000005147924 556642601 /nfs/dbraw/zinc/64/26/01/556642601.db2.gz ITFJOCLTXIZFBD-UHFFFAOYSA-N 1 0 428.512 1.779 50 0 IDAARO CC(C)[NH+]1CCC(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000017095091 556658337 /nfs/dbraw/zinc/65/83/37/556658337.db2.gz LPYDHVKSWZKYRV-UHFFFAOYSA-N 1 0 426.608 1.867 50 0 IDAARO CN1CC[N@H+](CCCNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)[C@@H](c2ccccc2)C1 ZINC000248080467 556661069 /nfs/dbraw/zinc/66/10/69/556661069.db2.gz PJSFWMUDPZRYJK-ZWKOTPCHSA-N 1 0 426.483 1.892 50 0 IDAARO CCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000033034137 556715835 /nfs/dbraw/zinc/71/58/35/556715835.db2.gz FUHMVUHYOPSGQL-UHFFFAOYSA-N 1 0 445.545 1.605 50 0 IDAARO O=C1Nc2ccc(F)cc2[C@@]12[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000138545961 556718855 /nfs/dbraw/zinc/71/88/55/556718855.db2.gz HUDGZKHOKLTZCH-LEWJJULVSA-N 1 0 435.411 1.986 50 0 IDAARO CCOC(=O)N1CCN(C(=O)c2sc3ncnc(N4CC[NH+](C)CC4)c3c2C)CC1 ZINC000033048213 556744182 /nfs/dbraw/zinc/74/41/82/556744182.db2.gz RGWMAVXVAUJWMH-UHFFFAOYSA-N 1 0 432.550 1.666 50 0 IDAARO Cn1c2nc(N3CC[NH+](Cc4ccccc4)CC3)n(Cc3ccccc3)c2c(=O)[nH]c1=O ZINC000056900455 556746077 /nfs/dbraw/zinc/74/60/77/556746077.db2.gz XXVHILYYUKKFFX-UHFFFAOYSA-N 1 0 430.512 1.794 50 0 IDAARO Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C[NH2+]C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000058055703 556755982 /nfs/dbraw/zinc/75/59/82/556755982.db2.gz JIODJSMTHTYTTH-SFTDATJTSA-N 1 0 432.590 1.850 50 0 IDAARO Cc1ccc(-n2nc3c(c2-n2cccc2)c(=O)n(CC(=O)NCC[NH+](C)C)nc3C)cc1 ZINC000033058034 556807545 /nfs/dbraw/zinc/80/75/45/556807545.db2.gz FAXWBNWIYWRLER-UHFFFAOYSA-N 1 0 433.516 1.668 50 0 IDAARO COc1ccc(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCOCC4)n3)CC2)c(OC)c1 ZINC000064800246 556827334 /nfs/dbraw/zinc/82/73/34/556827334.db2.gz WMVIEDIBRZJVDL-UHFFFAOYSA-N 1 0 442.520 1.993 50 0 IDAARO CC[NH+]1CCN(CCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1 ZINC000033131259 556871646 /nfs/dbraw/zinc/87/16/46/556871646.db2.gz CZPFPHQVVYXJGN-UHFFFAOYSA-N 1 0 428.986 1.492 50 0 IDAARO O=C(NCC[NH+]1CCCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000033131315 556871726 /nfs/dbraw/zinc/87/17/26/556871726.db2.gz MGBBGDDQCQPWBI-UHFFFAOYSA-N 1 0 429.970 1.967 50 0 IDAARO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCN2CC[NH+](CC)CC2)c1 ZINC000033131402 556871879 /nfs/dbraw/zinc/87/18/79/556871879.db2.gz YRISNLFOUYIEGJ-UHFFFAOYSA-N 1 0 431.002 1.738 50 0 IDAARO CCN1C(=O)c2cc(C(=O)NCC[NH+]3CCCCC3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000033249963 556891332 /nfs/dbraw/zinc/89/13/32/556891332.db2.gz AJWSFDQKKKSDNE-HSZRJFAPSA-N 1 0 444.580 1.392 50 0 IDAARO O=C(c1cn(C[C@H]2COc3ccccc3O2)nn1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000019794493 556915933 /nfs/dbraw/zinc/91/59/33/556915933.db2.gz WNSWAOXDEVYWRL-SFHVURJKSA-N 1 0 427.505 1.303 50 0 IDAARO O=C(c1cn(C[C@@H]2COc3ccccc3O2)nn1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000019794492 556915968 /nfs/dbraw/zinc/91/59/68/556915968.db2.gz WNSWAOXDEVYWRL-GOSISDBHSA-N 1 0 427.505 1.303 50 0 IDAARO CC[NH+](CC)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccccc1 ZINC000019904672 556942407 /nfs/dbraw/zinc/94/24/07/556942407.db2.gz JJBQPTVASHOMRK-OAHLLOKOSA-N 1 0 430.509 1.029 50 0 IDAARO COC(=O)[C@H](CN1CC[NH+](Cc2ccccc2)CC1)[C@](O)(c1nccn1C)C(F)(F)F ZINC000097003100 556979055 /nfs/dbraw/zinc/97/90/55/556979055.db2.gz KWGYCQSTEKBKHR-PXNSSMCTSA-N 1 0 440.466 1.777 50 0 IDAARO COc1cc(CN2CCN(Cc3nccn3C)CC2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000020204565 556998035 /nfs/dbraw/zinc/99/80/35/556998035.db2.gz QTYPMICCGLLLBA-NRFANRHFSA-N 1 0 445.608 1.826 50 0 IDAARO CCOC(=O)CNC(=O)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020234359 557001965 /nfs/dbraw/zinc/00/19/65/557001965.db2.gz QLNVBFXORNFEIU-GOSISDBHSA-N 1 0 432.521 1.270 50 0 IDAARO COc1ccc(CN2CCN(CC(=O)N(C)C)CC2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000022926101 557048751 /nfs/dbraw/zinc/04/87/51/557048751.db2.gz KKPJEENKBABANO-OAQYLSRUSA-N 1 0 448.608 1.127 50 0 IDAARO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000023133228 557066711 /nfs/dbraw/zinc/06/67/11/557066711.db2.gz XIOLOGABOGDALZ-KRWDZBQOSA-N 1 0 438.575 1.147 50 0 IDAARO O=C(CCc1nc2ccccc2c(=O)[nH]1)NCC[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000583652701 557242265 /nfs/dbraw/zinc/24/22/65/557242265.db2.gz BSQQUWMOHZIHOC-SJORKVTESA-N 1 0 433.512 1.665 50 0 biogenic IDAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)C1 ZINC000004876187 557400296 /nfs/dbraw/zinc/40/02/96/557400296.db2.gz NQWHUIQXBYUFSI-RTBURBONSA-N 1 0 426.561 1.992 50 0 IDAARO CC(C)[C@@H](NC(=O)CCCCC[NH3+])C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000040367828 557414515 /nfs/dbraw/zinc/41/45/15/557414515.db2.gz UVMMSZZUYRHMOM-JOCHJYFZSA-N 1 0 432.565 1.719 50 0 IDAARO COCCN1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)[NH2+][C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O ZINC000247902707 557420307 /nfs/dbraw/zinc/42/03/07/557420307.db2.gz WDTCIIAPTUSGIT-SMTRIPRVSA-N 1 0 444.491 1.777 50 0 IDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000223213820 557446767 /nfs/dbraw/zinc/44/67/67/557446767.db2.gz DRPSCVHHBIGXSV-QZTJIDSGSA-N 1 0 446.548 1.547 50 0 IDAARO COc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCc2ccccc2)cc1 ZINC000045944295 557552821 /nfs/dbraw/zinc/55/28/21/557552821.db2.gz SZDFBZTUIVRGQS-UHFFFAOYSA-N 1 0 431.558 1.751 50 0 IDAARO CC(C)Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@@H]2CCCO2)cc1 ZINC000045944369 557553127 /nfs/dbraw/zinc/55/31/27/557553127.db2.gz XGLOKVZVTDHMJU-FQEVSTJZSA-N 1 0 437.606 1.877 50 0 IDAARO O=C(CN(C1CCCC1)S(=O)(=O)c1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000045974227 557556275 /nfs/dbraw/zinc/55/62/75/557556275.db2.gz JBQFIOMAJSUOHN-UHFFFAOYSA-N 1 0 430.368 1.814 50 0 IDAARO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)CC1 ZINC000241144865 557846012 /nfs/dbraw/zinc/84/60/12/557846012.db2.gz JTTBRRGIJWAMCM-QFUCXCTJSA-N 1 0 432.613 1.498 50 0 IDAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)C1 ZINC000004115609 562942184 /nfs/dbraw/zinc/94/21/84/562942184.db2.gz HROCBIHWAKTJDV-RTBURBONSA-N 1 0 428.643 1.913 50 0 IDAARO CSCC[C@H]([NH3+])C(=O)N1CCC(C(=O)N[C@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000008952232 562966252 /nfs/dbraw/zinc/96/62/52/562966252.db2.gz UKZVQBPULFPVKH-FCEWJHQRSA-N 1 0 434.606 1.688 50 0 biogenic IDAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009742159 562976322 /nfs/dbraw/zinc/97/63/22/562976322.db2.gz LVWSKXKIFXRKQJ-LJQANCHMSA-N 1 0 433.530 1.867 50 0 IDAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000009765487 562976711 /nfs/dbraw/zinc/97/67/11/562976711.db2.gz RJCYLWLSJYTKKN-FQEVSTJZSA-N 1 0 429.542 1.712 50 0 IDAARO COCCCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000045944782 568783804 /nfs/dbraw/zinc/78/38/04/568783804.db2.gz WCVNWZTXWSHARL-UHFFFAOYSA-N 1 0 448.383 1.298 50 0 IDAARO COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2cccc(C)c2)c1 ZINC000015864298 568849716 /nfs/dbraw/zinc/84/97/16/568849716.db2.gz ZOKXPUWXIBTGOL-UHFFFAOYSA-N 1 0 447.557 1.635 50 0 IDAARO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000015953686 568860081 /nfs/dbraw/zinc/86/00/81/568860081.db2.gz GNHWIJRBWFZPSH-MDTICMOCSA-N 1 0 431.448 1.889 50 0 biogenic IDAARO Cc1ccnc2nc(C(=O)Nc3ccc(S(=O)(=O)N(C)C4CC[NH+](C)CC4)cc3)nn21 ZINC000012944990 568870644 /nfs/dbraw/zinc/87/06/44/568870644.db2.gz FBHDHBQKKYABAS-UHFFFAOYSA-N 1 0 443.533 1.400 50 0 IDAARO CCOC(=O)[C@@H]1CCCN(CC2=C(C(=O)OC)[C@@H](c3cccc(OC)c3)NC(=O)N2)C1 ZINC000226946159 568885445 /nfs/dbraw/zinc/88/54/45/568885445.db2.gz KSXXJFYABFYKSQ-DNVCBOLYSA-N 1 0 431.489 1.751 50 0 IDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000239305897 568911126 /nfs/dbraw/zinc/91/11/26/568911126.db2.gz GEEQKJAEZUJADN-LSDHHAIUSA-N 1 0 437.591 1.693 50 0 IDAARO CS[C@H]1CN(C(=O)CN2C(=O)COc3cc(Br)ccc32)C[C@H]1[NH+](C)C ZINC000089314087 568920744 /nfs/dbraw/zinc/92/07/44/568920744.db2.gz SPPBCRHHUYYHQI-HIFRSBDPSA-N 1 0 428.352 1.679 50 0 IDAARO COc1ccc(C(=O)Nc2cc3c(cc2N2CC[NH+](C)CC2)n(C)c(=O)c(=O)n3C)cc1 ZINC000064526155 568931105 /nfs/dbraw/zinc/93/11/05/568931105.db2.gz DTBJMIZVEGJSSD-UHFFFAOYSA-N 1 0 437.500 1.250 50 0 IDAARO Cc1ccc(-n2nc(C(=O)NCC[NH+](C)C)c(=O)n([C@@H](C)c3ccccc3)c2=O)cc1F ZINC000036089013 568949998 /nfs/dbraw/zinc/94/99/98/568949998.db2.gz VTTZVACQDMUDKG-INIZCTEOSA-N 1 0 439.491 1.742 50 0 IDAARO CCN1CCN(C(=O)c2cnn3c2n(CC)c2c(c3=O)C[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000064835873 568968912 /nfs/dbraw/zinc/96/89/12/568968912.db2.gz BKBNJAAATFWITM-UHFFFAOYSA-N 1 0 448.571 1.852 50 0 IDAARO O=C(CCn1cnc2cc(S(=O)(=O)N3CCCC3)ccc21)NCCC[NH+]1CCCC1 ZINC000064888923 568979694 /nfs/dbraw/zinc/97/96/94/568979694.db2.gz ZQBOSLPBTZPQAY-UHFFFAOYSA-N 1 0 433.578 1.813 50 0 IDAARO C[NH+](C)CCNC(=O)CN1c2cc(C(=O)N3CCCC3)ccc2N2CCCC[C@H]2C1=O ZINC000064966737 569001537 /nfs/dbraw/zinc/00/15/37/569001537.db2.gz JAZGIYPKCKXXQD-IBGZPJMESA-N 1 0 427.549 1.306 50 0 IDAARO C[NH+](C)CCNC(=O)c1ccc(OCc2ccc(S(=O)(=O)N3CCOCC3)o2)cc1 ZINC000036359996 569086547 /nfs/dbraw/zinc/08/65/47/569086547.db2.gz CSQRQXFGOACIHZ-UHFFFAOYSA-N 1 0 437.518 1.171 50 0 IDAARO Cn1c(Cn2ccc(=[NH2+])cc2)c(C(=O)c2cccc(Br)c2)c(=O)n(C)c1=O ZINC000036360728 569086696 /nfs/dbraw/zinc/08/66/96/569086696.db2.gz KOLNZLGBUYSYFE-UHFFFAOYSA-N 1 0 429.274 1.407 50 0 IDAARO O=S(=O)(c1ccccc1)N1CCC2(CC1)NCC[NH+]=C2NCc1ccc2c(c1)OCO2 ZINC000065074681 569099003 /nfs/dbraw/zinc/09/90/03/569099003.db2.gz RPAZAXFMZRPLJC-UHFFFAOYSA-N 1 0 442.541 1.730 50 0 biogenic IDAARO CCC[NH+]1CCN(C(=O)Cn2c(C)ccc(NS(=O)(=O)c3ccc(C)cc3)c2=O)CC1 ZINC000065212572 569116799 /nfs/dbraw/zinc/11/67/99/569116799.db2.gz XMGDNKSSTLWTHB-UHFFFAOYSA-N 1 0 446.573 1.820 50 0 IDAARO COc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)N3CCC[N@H+](C)CC3)c2=O)cc1 ZINC000065212603 569116903 /nfs/dbraw/zinc/11/69/03/569116903.db2.gz SNLOOEKYPZYQOS-UHFFFAOYSA-N 1 0 448.545 1.130 50 0 IDAARO CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCC[NH+]1CCCCCC1 ZINC000007006190 569117619 /nfs/dbraw/zinc/11/76/19/569117619.db2.gz NRKGCAKOXWORFS-UHFFFAOYSA-N 1 0 427.567 1.036 50 0 biogenic IDAARO CCC[NH+](CCC)CCNC(=O)C1=C(C)C(=O)OC12CCN(S(=O)(=O)CC)CC2 ZINC000007006192 569117674 /nfs/dbraw/zinc/11/76/74/569117674.db2.gz IGAKTUPQMNIYET-UHFFFAOYSA-N 1 0 429.583 1.282 50 0 biogenic IDAARO O=C(c1ccnc(N2CC[NH2+][C@@H](c3ccccc3)C2)c1)N1CCN(c2ncccn2)CC1 ZINC000065255888 569123021 /nfs/dbraw/zinc/12/30/21/569123021.db2.gz LABFTYLIIYEMGO-OAQYLSRUSA-N 1 0 429.528 1.985 50 0 IDAARO C[NH+]1CCC(NC(=O)[C@H]2CCc3nc(N4CCN(C(=O)C5CCC5)CC4)sc3C2)CC1 ZINC000065273737 569129997 /nfs/dbraw/zinc/12/99/97/569129997.db2.gz OYZAOFQFLRAEMM-KRWDZBQOSA-N 1 0 445.633 1.907 50 0 IDAARO C[NH+]1CCC(NC(=O)[C@@H]2CCc3nc(N4CCN(C(=O)C5CCC5)CC4)sc3C2)CC1 ZINC000065273736 569130003 /nfs/dbraw/zinc/13/00/03/569130003.db2.gz OYZAOFQFLRAEMM-QGZVFWFLSA-N 1 0 445.633 1.907 50 0 IDAARO Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000065329735 569136913 /nfs/dbraw/zinc/13/69/13/569136913.db2.gz AWSHAZSIXNEUHU-UHFFFAOYSA-N 1 0 443.548 1.900 50 0 IDAARO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000007525173 569145226 /nfs/dbraw/zinc/14/52/26/569145226.db2.gz VJUYGIQBTIRLEU-INIZCTEOSA-N 1 0 425.551 1.411 50 0 IDAARO Cc1ccc(S(=O)(=O)N2CCN(c3nc(N4CCN(C)CC4)cc(C)[nH+]3)CC2)c(C)c1 ZINC000017025984 569171009 /nfs/dbraw/zinc/17/10/09/569171009.db2.gz REVXREGFGXOPFA-UHFFFAOYSA-N 1 0 444.605 1.665 50 0 IDAARO CO[C@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 ZINC000252537292 569190002 /nfs/dbraw/zinc/19/00/02/569190002.db2.gz KXFNFUIJFZRSNT-PMPSAXMXSA-N 1 0 425.327 1.226 50 0 IDAARO O=C([C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1)N1CC[NH+](CC2CC2)CC1 ZINC000253430430 569267625 /nfs/dbraw/zinc/26/76/25/569267625.db2.gz WKNCCKIVSCLQAL-KRWDZBQOSA-N 1 0 427.954 1.284 50 0 IDAARO CC[N@H+](CCCNC(=O)CCNC(=O)Cn1cnc2ccccc2c1=O)Cc1ccccc1 ZINC000020103709 569334124 /nfs/dbraw/zinc/33/41/24/569334124.db2.gz ANVOLEHDONKYLM-UHFFFAOYSA-N 1 0 449.555 1.931 50 0 IDAARO Cc1nc2c(c(C)c1CCC(=O)NCC[N@@H+]1CCc3ccccc3C1)c(=O)n(C)c(=O)n2C ZINC000020284090 569358951 /nfs/dbraw/zinc/35/89/51/569358951.db2.gz IXAJBPFZGLAQMT-UHFFFAOYSA-N 1 0 449.555 1.356 50 0 IDAARO O=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cccn2c(=O)[nH]nc12 ZINC000095456819 569368960 /nfs/dbraw/zinc/36/89/60/569368960.db2.gz MIWSAHCHUSFWJC-UHFFFAOYSA-N 1 0 448.449 1.984 50 0 IDAARO CSc1cc2c(cc1NC(=O)N1CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC1)OCCO2 ZINC000095971984 569377449 /nfs/dbraw/zinc/37/74/49/569377449.db2.gz XTXKAXMBRRVNDK-CQSZACIVSA-N 1 0 441.575 1.953 50 0 IDAARO COc1ccc([C@@H](CNC(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)[NH+](C)C)cc1 ZINC000095996386 569378701 /nfs/dbraw/zinc/37/87/01/569378701.db2.gz HMFVWVVXOFSTFP-OAQYLSRUSA-N 1 0 440.548 1.902 50 0 IDAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1nc(N2CCOCC2)ncc1Cl 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NS(=O)(=O)c1ccc(NC(=O)CC[NH+]2CCC(C(=O)NCc3ccccc3)CC2)cc1 ZINC000022199682 527314916 /nfs/dbraw/zinc/31/49/16/527314916.db2.gz XDMWEOANYMLYSK-UHFFFAOYSA-N 1 0 444.557 1.691 50 0 IDAARO CC(C)[N@H+](C)C[C@H](O)CN1CCN(Cc2nc(C(=O)NCc3ccccc3)co2)CC1 ZINC000034677088 555795080 /nfs/dbraw/zinc/79/50/80/555795080.db2.gz BRXPJCOIOPMAEI-FQEVSTJZSA-N 1 0 429.565 1.423 50 0 IDAARO C[C@@H](NC(=O)COc1ccc(Cl)cc1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008739760 556205939 /nfs/dbraw/zinc/20/59/39/556205939.db2.gz BZQMLBXRCDTONP-CQSZACIVSA-N 1 0 431.924 1.610 50 0 IDAARO CN(C)c1ccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022776845 556237146 /nfs/dbraw/zinc/23/71/46/556237146.db2.gz VUZYPZIOSLLQNZ-OAQYLSRUSA-N 1 0 427.524 1.935 50 0 IDAARO COc1cccc([C@@]2(CC(=O)N3CCC[C@@H](OC)C3)CC(=O)N(CC[NH+](C)C)C2=O)c1 ZINC000011911505 556375315 /nfs/dbraw/zinc/37/53/15/556375315.db2.gz KSHJFJQANMGBSR-AUSIDOKSSA-N 1 0 431.533 1.281 50 0 IDAARO COc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)cc1OC ZINC000011997479 556384504 /nfs/dbraw/zinc/38/45/04/556384504.db2.gz OZUPFMQBXVKHCC-MRXNPFEDSA-N 1 0 443.548 1.957 50 0 IDAARO COCCC(=O)N1CCC(Oc2ccc(C(=O)NCC[N@@H+]3CCC[C@H](O)C3)cc2)CC1 ZINC000012024446 556387521 /nfs/dbraw/zinc/38/75/21/556387521.db2.gz IHWZYXFYBLVLFE-IBGZPJMESA-N 1 0 433.549 1.279 50 0 IDAARO CCN1C(=O)N(CC(N)=O)C(=O)C12CC[NH+](C[C@@H](C)Cc1ccc3c(c1)OCO3)CC2 ZINC000014742354 556439123 /nfs/dbraw/zinc/43/91/23/556439123.db2.gz IKMXZNUOPGEPEG-HNNXBMFYSA-N 1 0 430.505 1.198 50 0 IDAARO COCCN1C(=O)N(CC(=O)OC)C(=O)C12CC[NH+](Cc1cc3ccccc3[nH]1)CC2 ZINC000014755182 556444735 /nfs/dbraw/zinc/44/47/35/556444735.db2.gz GXDBLISUPHLYMR-UHFFFAOYSA-N 1 0 428.489 1.586 50 0 IDAARO CCOc1ccc(CCNC(=O)CN2CCC(NS(C)(=O)=O)CC2)cc1OCC ZINC000032865300 556450365 /nfs/dbraw/zinc/45/03/65/556450365.db2.gz QDLJVAZMUFKGCI-UHFFFAOYSA-N 1 0 427.567 1.156 50 0 IDAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCC3(O)CCCCC3)c(=O)[nH]2)C1 ZINC000014960513 556463824 /nfs/dbraw/zinc/46/38/24/556463824.db2.gz YVEMNAFCIVGPKJ-SFHVURJKSA-N 1 0 446.592 1.880 50 0 IDAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2CCC(=O)N(Cc3cccc(F)c3)C2)CC1 ZINC000014967240 556466060 /nfs/dbraw/zinc/46/60/60/556466060.db2.gz QDQKAMXFKSNLQJ-LJQANCHMSA-N 1 0 444.551 1.897 50 0 IDAARO COc1cc(=O)n2c(c1C(=O)N1CCC[C@@H](O)C1)CC[N@@H+](Cc1ccccc1C)CC2 ZINC000014993005 556475862 /nfs/dbraw/zinc/47/58/62/556475862.db2.gz MNXQDRBPRPFUMS-LJQANCHMSA-N 1 0 425.529 1.821 50 0 IDAARO COc1cc(C[NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)ccc1OCC(F)(F)F ZINC000072294581 556512556 /nfs/dbraw/zinc/51/25/56/556512556.db2.gz NQUGBSUPDCQWAD-INIZCTEOSA-N 1 0 431.455 1.659 50 0 IDAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCNC(=O)Cn2cnc3ccccc3c2=O)C1 ZINC000004562804 556521057 /nfs/dbraw/zinc/52/10/57/556521057.db2.gz FMXHWFGARBDNKJ-QZTJIDSGSA-N 1 0 427.549 1.387 50 0 IDAARO O=C1Nc2ccc(F)cc2[C@]12[NH2+][C@@H](Cc1ccccc1)[C@@H]1C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 ZINC000013592160 556530057 /nfs/dbraw/zinc/53/00/57/556530057.db2.gz CBQPJFYWMQQWAX-IJEZHKBASA-N 1 0 449.482 1.968 50 0 IDAARO COc1ccc(OC)c(S(=O)(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)c1 ZINC000015671260 556542313 /nfs/dbraw/zinc/54/23/13/556542313.db2.gz ZEYHCGXIEAOOBH-UHFFFAOYSA-N 1 0 447.561 1.913 50 0 IDAARO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[NH2+][C@H](CCC(N)=O)[C@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21 ZINC000016020145 556574746 /nfs/dbraw/zinc/57/47/46/556574746.db2.gz KCSUZGNYMXHPDB-SKGWCBBHSA-N 1 0 444.919 1.577 50 0 IDAARO COc1ccc(NC(=O)c2nnc(COCC(=O)NCCC[NH+]3CCCC3)s2)cc1 ZINC000032987405 556607469 /nfs/dbraw/zinc/60/74/69/556607469.db2.gz SYHCWCLMNXNPLW-UHFFFAOYSA-N 1 0 433.534 1.918 50 0 IDAARO C[NH+]1CCN(CCCNC(=O)COCc2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000032987677 556607988 /nfs/dbraw/zinc/60/79/88/556607988.db2.gz NXAMISWCEVANSZ-UHFFFAOYSA-N 1 0 432.550 1.061 50 0 IDAARO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC(=O)N(CCC(=O)OC)C[C@@H](OCc2ccncc2)C1 ZINC000039344690 556627646 /nfs/dbraw/zinc/62/76/46/556627646.db2.gz SCFNHEYYWHYDJK-WOJBJXKFSA-N 1 0 446.548 1.075 50 0 IDAARO CC[NH+]1CCN(CCNC(=O)CSc2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000033011988 556660550 /nfs/dbraw/zinc/66/05/50/556660550.db2.gz OSIFIVNLJQZTBR-UHFFFAOYSA-N 1 0 434.591 1.636 50 0 IDAARO O=C(CCNS(=O)(=O)c1cccc2nsnc21)N1CCN(c2cc[nH+]cc2)CC1 ZINC000043207362 556661489 /nfs/dbraw/zinc/66/14/89/556661489.db2.gz WXDHQWPQLKGANZ-UHFFFAOYSA-N 1 0 432.531 1.104 50 0 in-vitro IDAARO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000032929500 556672002 /nfs/dbraw/zinc/67/20/02/556672002.db2.gz NNCAFBXRGUYFBC-IRXDYDNUSA-N 1 0 431.624 1.973 50 0 IDAARO NS(=O)(=O)c1ccc(CC[NH2+][C@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)cc1 ZINC000018093430 556683660 /nfs/dbraw/zinc/68/36/60/556683660.db2.gz PUXVRBIUEHTUJP-INIZCTEOSA-N 1 0 441.431 1.817 50 0 IDAARO C[C@H]1CCCC[N@@H+]1CCN(CCS(=O)(=O)N1CCNCC1)C(=O)c1cccs1 ZINC000046141057 556692036 /nfs/dbraw/zinc/69/20/36/556692036.db2.gz RLTDXPNVXJRYKT-KRWDZBQOSA-N 1 0 428.624 1.300 50 0 IDAARO C[C@H]1CCCC[N@@H+]1CCN(CCS(=O)(=O)N1CCNCC1)C(=O)c1ccc(F)cc1 ZINC000046141051 556692141 /nfs/dbraw/zinc/69/21/41/556692141.db2.gz OTNQTMFBVMQXOS-SFHVURJKSA-N 1 0 440.585 1.377 50 0 IDAARO Cc1ccc(NC(=O)C[NH2+]CCCN2CCOCC2)cc1S(=O)(=O)N1CCCCC1 ZINC000013598073 556701439 /nfs/dbraw/zinc/70/14/39/556701439.db2.gz HLKRTZBAGXNLDP-UHFFFAOYSA-N 1 0 438.594 1.420 50 0 IDAARO COC(=O)[C@@H](C)CN(CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)Cc1ccccc1 ZINC000060333687 556706029 /nfs/dbraw/zinc/70/60/29/556706029.db2.gz XJMJLJCWKSDSOO-INIZCTEOSA-N 1 0 445.541 1.534 50 0 IDAARO CCOC(=O)N1CCN(S(=O)(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)CC1 ZINC000058064337 556756505 /nfs/dbraw/zinc/75/65/05/556756505.db2.gz XEJHHFYBXDYRAK-LJQANCHMSA-N 1 0 440.566 1.441 50 0 IDAARO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)Nc1cccc(Cn2cccnc2=O)c1 ZINC000058283352 556777496 /nfs/dbraw/zinc/77/74/96/556777496.db2.gz YPMRHSAZOPEQJH-IBGZPJMESA-N 1 0 426.521 1.356 50 0 IDAARO NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2NC(=O)CCn2nnc3ccccc3c2=O)C1 ZINC000058434441 556788197 /nfs/dbraw/zinc/78/81/97/556788197.db2.gz GGIINGMMZOZTDC-KRWDZBQOSA-N 1 0 434.500 1.518 50 0 IDAARO Cc1ccc(NC(=O)c2nnc(CCC(=O)NCCCN3CC[NH+](C)CC3)s2)cc1 ZINC000033062053 556817873 /nfs/dbraw/zinc/81/78/73/556817873.db2.gz YPBCUXKARLRNFO-UHFFFAOYSA-N 1 0 430.578 1.785 50 0 IDAARO COc1ccc(OC)c(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCOCC4)n3)CC2)c1 ZINC000064800402 556827299 /nfs/dbraw/zinc/82/72/99/556827299.db2.gz DGDXTUMOWNFXQR-UHFFFAOYSA-N 1 0 442.520 1.993 50 0 IDAARO COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2nc(N3CCOCC3)[nH]c(=O)c2CC1 ZINC000019595007 556830565 /nfs/dbraw/zinc/83/05/65/556830565.db2.gz YDZVRAKLTJOURS-UHFFFAOYSA-N 1 0 430.505 1.645 50 0 IDAARO COc1ccc(C[NH+]2CCC(NC(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)CC2)cc1 ZINC000334160765 556836767 /nfs/dbraw/zinc/83/67/67/556836767.db2.gz LVPMTMUSYKBGNY-OAQYLSRUSA-N 1 0 436.512 1.917 50 0 IDAARO COc1cccc(N(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)c1 ZINC000067601752 556843328 /nfs/dbraw/zinc/84/33/28/556843328.db2.gz XMXHXQSBBJGLCB-UHFFFAOYSA-N 1 0 432.546 1.852 50 0 IDAARO C[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2C[NH2+]CCN2CCC(O)CC2)C[C@H](C)O1 ZINC000019850323 556930635 /nfs/dbraw/zinc/93/06/35/556930635.db2.gz UJCSGKGTLPIVAB-IYBDPMFKSA-N 1 0 449.983 1.783 50 0 IDAARO O=C(CCn1cccn1)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020418726 557015094 /nfs/dbraw/zinc/01/50/94/557015094.db2.gz BCTQQEKWBVUORQ-HXUWFJFHSA-N 1 0 425.533 1.811 50 0 IDAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1nc(N2CCOCC2)ncc1Cl ZINC000048300020 557061979 /nfs/dbraw/zinc/06/19/79/557061979.db2.gz CRNHKROPONGOAP-UHFFFAOYSA-N 1 0 444.967 1.514 50 0 IDAARO Cc1cc(C[NH2+]C2CCN(c3ccc(C(=O)NCCN4CCOCC4)cc3)CC2)nn1C ZINC000015004823 557102195 /nfs/dbraw/zinc/10/21/95/557102195.db2.gz JHQDBVLPDOUNFN-UHFFFAOYSA-N 1 0 440.592 1.549 50 0 IDAARO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCN(c3ccc(C(F)(F)F)cn3)CC1)C2=O ZINC000023673940 557105383 /nfs/dbraw/zinc/10/53/83/557105383.db2.gz KTOBLVYQLXNNLC-UHFFFAOYSA-N 1 0 426.443 1.196 50 0 IDAARO COc1ccc([C@@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)[NH+]2CCCC2)cc1 ZINC000017911968 557128258 /nfs/dbraw/zinc/12/82/58/557128258.db2.gz JXLQUEUGXDJGKM-LJQANCHMSA-N 1 0 433.530 1.918 50 0 IDAARO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000025107144 557195581 /nfs/dbraw/zinc/19/55/81/557195581.db2.gz PMKOPJSDETUHJS-CYBMUJFWSA-N 1 0 446.349 1.954 50 0 IDAARO COc1ccc(NC(=O)N2CCN(c3nc(N4CCN(C)CC4)cc(C)[nH+]3)CC2)cc1 ZINC000023993945 557390193 /nfs/dbraw/zinc/39/01/93/557390193.db2.gz ZQVPUYFRTWTNJR-UHFFFAOYSA-N 1 0 425.537 1.900 50 0 IDAARO O=S(=O)(NCCNc1ccc(Nc2cc[nH+]cc2)nn1)c1ccc2c(c1)OCCO2 ZINC000011697885 557395101 /nfs/dbraw/zinc/39/51/01/557395101.db2.gz OECCHHLUIMAYIN-UHFFFAOYSA-N 1 0 428.474 1.777 50 0 IDAARO COc1ccc(OC)c(CN2CCN(C(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)CC2)c1 ZINC000103044198 557416585 /nfs/dbraw/zinc/41/65/85/557416585.db2.gz NTCKDMKOVFGFEX-PMACEKPBSA-N 1 0 441.528 1.689 50 0 IDAARO COc1ccc(OC)c(CN2CCN(C(=O)CCN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)CC2)c1 ZINC000103044194 557416653 /nfs/dbraw/zinc/41/66/53/557416653.db2.gz NTCKDMKOVFGFEX-BGYRXZFFSA-N 1 0 441.528 1.689 50 0 IDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CC[C@H]1NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000223213882 557446637 /nfs/dbraw/zinc/44/66/37/557446637.db2.gz DRPSCVHHBIGXSV-ZWKOTPCHSA-N 1 0 446.548 1.547 50 0 IDAARO COc1ccc(NC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1OC ZINC000012069451 557526186 /nfs/dbraw/zinc/52/61/86/557526186.db2.gz OOUWZUGTXNHESF-UHFFFAOYSA-N 1 0 426.517 1.971 50 0 IDAARO CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000107154377 557534987 /nfs/dbraw/zinc/53/49/87/557534987.db2.gz FVGQIQWVILZBNR-MRXNPFEDSA-N 1 0 426.539 1.474 50 0 IDAARO CCOc1ccc(S(=O)(=O)N(CCCOC(C)C)CCC(=O)N2CC[NH2+]CC2)cc1 ZINC000045944882 557553519 /nfs/dbraw/zinc/55/35/19/557553519.db2.gz IPUAQYQGNNYBKZ-UHFFFAOYSA-N 1 0 441.594 1.713 50 0 IDAARO CCOc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000045974357 557556479 /nfs/dbraw/zinc/55/64/79/557556479.db2.gz GYQNHTNOJWBOBS-UHFFFAOYSA-N 1 0 431.558 1.751 50 0 IDAARO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC(=O)Nc3ccc4c(c3)OCO4)C[C@@H]2C1 ZINC000225471912 557726933 /nfs/dbraw/zinc/72/69/33/557726933.db2.gz UIIDMSBNLQCCTP-OKILXGFUSA-N 1 0 432.477 1.862 50 0 IDAARO NC(=O)c1ncn(C2CC[NH+](C[C@H](O)COc3ccccc3C(F)(F)F)CC2)c1N ZINC000225844971 557784476 /nfs/dbraw/zinc/78/44/76/557784476.db2.gz TVYDZLKVNHYGIW-ZDUSSCGKSA-N 1 0 427.427 1.660 50 0 IDAARO COc1ccc(S(N)(=O)=O)cc1C(=O)NCCC[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC000003777409 562937688 /nfs/dbraw/zinc/93/76/88/562937688.db2.gz IFZHSRQACZNBJX-UHFFFAOYSA-N 1 0 446.573 1.593 50 0 IDAARO COC(=O)c1ccc(OC[C@H](O)C[N@H+](CCO)C[C@H](O)Cn2ccc3ccccc32)cc1 ZINC000008685260 562962381 /nfs/dbraw/zinc/96/23/81/562962381.db2.gz QNUHZILWONFXCK-LEWJYISDSA-N 1 0 442.512 1.523 50 0 IDAARO O=C(CCNC(=O)c1cccc(Br)c1)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000009410162 562970346 /nfs/dbraw/zinc/97/03/46/562970346.db2.gz OHLVNJYCGHXCSY-UHFFFAOYSA-N 1 0 446.349 1.956 50 0 IDAARO CC[NH+](CC)CCNc1ccc2nnc(CCNS(=O)(=O)c3ccc(C)cc3)n2n1 ZINC000009578766 562973458 /nfs/dbraw/zinc/97/34/58/562973458.db2.gz UBOWQOSYCGHJQG-UHFFFAOYSA-N 1 0 431.566 1.707 50 0 IDAARO Cc1oc(-c2ccc(C)cc2)nc1CS(=O)(=O)CC(=O)NCCCN1CC[NH+](C)CC1 ZINC000020241848 563024283 /nfs/dbraw/zinc/02/42/83/563024283.db2.gz GZWOLVJJLQBJRX-UHFFFAOYSA-N 1 0 448.589 1.627 50 0 IDAARO CC[NH+]1CCN(CCCNC(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)CC1 ZINC000020414891 563024732 /nfs/dbraw/zinc/02/47/32/563024732.db2.gz RCUNBSBUJIXVPB-UHFFFAOYSA-N 1 0 431.610 1.689 50 0 IDAARO O=C(NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1cn2ccccc2n1 ZINC000299785122 568757502 /nfs/dbraw/zinc/75/75/02/568757502.db2.gz QJTWSJYYOYSZJN-IBGZPJMESA-N 1 0 425.533 1.414 50 0 IDAARO O=C(NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1cn2ccccc2n1 ZINC000299785129 568757565 /nfs/dbraw/zinc/75/75/65/568757565.db2.gz QJTWSJYYOYSZJN-LJQANCHMSA-N 1 0 425.533 1.414 50 0 IDAARO O=C(NCCC[NH+]1CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000013632506 568828352 /nfs/dbraw/zinc/82/83/52/568828352.db2.gz UINVVYYNUXLLAN-UHFFFAOYSA-N 1 0 429.970 1.967 50 0 IDAARO O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000100454140 568837015 /nfs/dbraw/zinc/83/70/15/568837015.db2.gz FZZILDYXOJRUMI-QZTJIDSGSA-N 1 0 425.485 1.401 50 0 IDAARO Cn1c(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCSCC1 ZINC000085879625 568839151 /nfs/dbraw/zinc/83/91/51/568839151.db2.gz VLRTUOMFEOVXSR-SJORKVTESA-N 1 0 442.585 1.421 50 0 biogenic IDAARO CCOc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccc(F)cc2)cc1 ZINC000015864251 568849679 /nfs/dbraw/zinc/84/96/79/568849679.db2.gz LXWQSJXWNNAVPI-UHFFFAOYSA-N 1 0 435.521 1.847 50 0 IDAARO Cc1cccc2c1NC(=O)[C@]21[NH2+][C@H](CCC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000016032936 568867588 /nfs/dbraw/zinc/86/75/88/568867588.db2.gz AKRMSGHMOGSAMH-WKVINZIJSA-N 1 0 446.507 1.224 50 0 biogenic IDAARO Cc1cccc2c1NC(=O)[C@@]21[NH2+][C@@H](CCC(N)=O)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000016032933 568867632 /nfs/dbraw/zinc/86/76/32/568867632.db2.gz AKRMSGHMOGSAMH-XVIHEJCXSA-N 1 0 446.507 1.224 50 0 biogenic IDAARO CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2c(Cl)cccc2Cl)CC1 ZINC000006194037 568876678 /nfs/dbraw/zinc/87/66/78/568876678.db2.gz YCEGAKZQHGCFTD-UHFFFAOYSA-N 1 0 437.331 1.920 50 0 IDAARO COCc1ccc(CNC(=O)C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)cc1 ZINC000089382702 568921431 /nfs/dbraw/zinc/92/14/31/568921431.db2.gz OWHAJWIQOODOSI-UHFFFAOYSA-N 1 0 440.544 1.714 50 0 IDAARO Cc1cccc(Cn2c(=O)c(C(=O)NCC[NH+](C)C)nn(-c3ccc(C)c(C)c3)c2=O)c1 ZINC000036086351 568948646 /nfs/dbraw/zinc/94/86/46/568948646.db2.gz AAWBVXIXUWWWES-UHFFFAOYSA-N 1 0 435.528 1.659 50 0 IDAARO Cc1ccc(-n2nc(C(=O)NCC[NH+](C)C)c(=O)n(Cc3ccccc3)c2=O)cc1F ZINC000036088724 568949846 /nfs/dbraw/zinc/94/98/46/568949846.db2.gz CCIYZSJYSNUEPH-UHFFFAOYSA-N 1 0 425.464 1.181 50 0 IDAARO Cc1ccc(Cn2c(=O)c(C(=O)NCC[NH+](C)C)nn(-c3cc(C)cc(C)c3)c2=O)cc1 ZINC000036094001 568950863 /nfs/dbraw/zinc/95/08/63/568950863.db2.gz KDOONNQEQDQLJD-UHFFFAOYSA-N 1 0 435.528 1.659 50 0 IDAARO CC(C)C[NH+](CCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1)CC(C)C ZINC000006751034 568973564 /nfs/dbraw/zinc/97/35/64/568973564.db2.gz VUARTKIPBUTHQY-LJQANCHMSA-N 1 0 432.631 1.006 50 0 IDAARO CC(C)C[NH+](CCNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1)CC(C)C ZINC000006751035 568973620 /nfs/dbraw/zinc/97/36/20/568973620.db2.gz VUARTKIPBUTHQY-IBGZPJMESA-N 1 0 432.631 1.006 50 0 IDAARO CN(C)S(=O)(=O)c1ccc2c(c1)nc(C(F)(F)F)n2CCC(=O)NCC[NH+](C)C ZINC000064889000 568980058 /nfs/dbraw/zinc/98/00/58/568980058.db2.gz KJOSIEJVFUWPQP-UHFFFAOYSA-N 1 0 435.472 1.373 50 0 IDAARO CC[NH+]1CCN(c2ccc(-c3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)nn2)CC1 ZINC000065009729 569088006 /nfs/dbraw/zinc/08/80/06/569088006.db2.gz BJSBYWKRPGWLFS-UHFFFAOYSA-N 1 0 447.561 1.315 50 0 IDAARO COc1ccc(S(=O)(=O)Nc2cnc(N3CC[NH2+]CC3)c(C(=O)NC(C)C)c2)cc1 ZINC000065025121 569090442 /nfs/dbraw/zinc/09/04/42/569090442.db2.gz YKIRUYJLIBUNHL-UHFFFAOYSA-N 1 0 433.534 1.439 50 0 IDAARO Cc1c(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)C[NH+](C(C)C)C(C)C)C2)cnn1C ZINC000006921753 569109531 /nfs/dbraw/zinc/10/95/31/569109531.db2.gz GQHVSQUGHNTAPE-WMZOPIPTSA-N 1 0 427.615 1.753 50 0 IDAARO O=C(c1cccnc1N1CC[NH2+][C@@H](c2ccccc2)C1)N1CCN(c2ncccn2)CC1 ZINC000065255733 569122962 /nfs/dbraw/zinc/12/29/62/569122962.db2.gz CPGSPXKNMQMGHL-OAQYLSRUSA-N 1 0 429.528 1.985 50 0 IDAARO CCC[NH+]1CCN(C(=O)[C@@H]2CCc3nc(N4CCN(C(=O)CC)CC4)sc3C2)CC1 ZINC000065273780 569128267 /nfs/dbraw/zinc/12/82/67/569128267.db2.gz GELHAIVKADVLBF-QGZVFWFLSA-N 1 0 433.622 1.861 50 0 IDAARO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000036664290 569130436 /nfs/dbraw/zinc/13/04/36/569130436.db2.gz VSJVHBOAVFLYFW-FQEVSTJZSA-N 1 0 429.542 1.948 50 0 IDAARO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC000007525170 569145254 /nfs/dbraw/zinc/14/52/54/569145254.db2.gz VJUYGIQBTIRLEU-MRXNPFEDSA-N 1 0 425.551 1.411 50 0 IDAARO Cc1ccccc1[C@H]1N=C(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)NC(=[NH2+])N1 ZINC000013578934 569156047 /nfs/dbraw/zinc/15/60/47/569156047.db2.gz DIUGBKVPJIODAJ-MRXNPFEDSA-N 1 0 432.531 1.287 50 0 IDAARO COc1ccc(C(=O)N2CCN(c3nc(N4CCOCC4)cc(C)[nH+]3)CC2)cc1OC ZINC000017012258 569170501 /nfs/dbraw/zinc/17/05/01/569170501.db2.gz JHQYEEFBOKIMCF-UHFFFAOYSA-N 1 0 427.505 1.601 50 0 IDAARO COc1ccc(S(=O)(=O)N2CCN(c3nc(N4CCOCC4)cc(C)[nH+]3)CC2)cc1 ZINC000017012769 569170566 /nfs/dbraw/zinc/17/05/66/569170566.db2.gz LKEQPHXPWVBGKC-UHFFFAOYSA-N 1 0 433.534 1.141 50 0 IDAARO Cc1cc(C(=O)NCCn2ncc3c2ncnc3N2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000017014127 569170800 /nfs/dbraw/zinc/17/08/00/569170800.db2.gz VKRSKJMKBNGLFQ-UHFFFAOYSA-N 1 0 446.515 1.875 50 0 IDAARO Cn1nc(-c2ccccc2)cc1C(=O)NCCN1CC[NH+](C[C@@H](O)COC(C)(C)C)CC1 ZINC000252490099 569186768 /nfs/dbraw/zinc/18/67/68/569186768.db2.gz KJAYSZCPKSGXAJ-HXUWFJFHSA-N 1 0 443.592 1.611 50 0 IDAARO CC(C)CN1CC[NH+]([C@H]2CCOC3(CCN(S(=O)(=O)c4cn(C)cn4)CC3)C2)CC1 ZINC000581819812 569211628 /nfs/dbraw/zinc/21/16/28/569211628.db2.gz MLHBTWRUQDJORB-IBGZPJMESA-N 1 0 439.626 1.396 50 0 IDAARO O=C([C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1)N1CC[NH+](CC2CC2)CC1 ZINC000253430433 569267636 /nfs/dbraw/zinc/26/76/36/569267636.db2.gz WKNCCKIVSCLQAL-QGZVFWFLSA-N 1 0 427.954 1.284 50 0 IDAARO COc1ccc2cnn(CC(=O)Nc3ccc(OCC[NH+](C)C)cc3)c(=O)c2c1OC ZINC000253412595 569288955 /nfs/dbraw/zinc/28/89/55/569288955.db2.gz RLWSYIWXOMDGSP-UHFFFAOYSA-N 1 0 426.473 1.993 50 0 IDAARO COC(=O)[C@]1(NC(=O)Cc2ccc(-n3cnnn3)cc2)CCC[N@H+](Cc2ccccc2)C1 ZINC000079071271 569324606 /nfs/dbraw/zinc/32/46/06/569324606.db2.gz OBQJHJUYFFUBPO-QHCPKHFHSA-N 1 0 434.500 1.529 50 0 IDAARO COc1ccc([C@H](C[NH2+]Cc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)N2CCOCC2)cc1 ZINC000079108822 569326051 /nfs/dbraw/zinc/32/60/51/569326051.db2.gz NHNCQFRNEKBKHD-FCHUYYIVSA-N 1 0 448.589 1.589 50 0 IDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 ZINC000020103560 569334078 /nfs/dbraw/zinc/33/40/78/569334078.db2.gz YDURXHGKEAEOLA-OAHLLOKOSA-N 1 0 445.589 1.444 50 0 IDAARO CCCCCn1c(=O)[nH]c2cc(C(=O)NCCCN3CC[NH+](CC)CC3)ccc2c1=O ZINC000020116986 569335136 /nfs/dbraw/zinc/33/51/36/569335136.db2.gz RSMREYAGIAFPRP-UHFFFAOYSA-N 1 0 429.565 1.637 50 0 IDAARO Cc1ccccc1[C@H](O)CNC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000095404913 569364313 /nfs/dbraw/zinc/36/43/13/569364313.db2.gz APGXSNQTSZPGJG-JOCHJYFZSA-N 1 0 440.544 1.410 50 0 IDAARO CN(C[C@H](O)CN1CC[NH+](C)CC1)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000095406738 569364826 /nfs/dbraw/zinc/36/48/26/569364826.db2.gz TWYISXCDROWVAC-ICSRJNTNSA-N 1 0 436.984 1.259 50 0 IDAARO CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CCC([N@@H+](C)CC(=O)NC(C)C)CC1 ZINC000095432327 569366338 /nfs/dbraw/zinc/36/63/38/569366338.db2.gz VHEHCBANRLLRRF-JOCHJYFZSA-N 1 0 428.577 1.970 50 0 IDAARO CN(CCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1cc[nH+]cc1 ZINC000095997740 569379069 /nfs/dbraw/zinc/37/90/69/569379069.db2.gz VUWXXIXPXZDHFM-UHFFFAOYSA-N 1 0 446.529 1.212 50 0 IDAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(C)C(=O)N[C@H]1c1cc(OC)cc(OC)c1 ZINC000096210250 569386431 /nfs/dbraw/zinc/38/64/31/569386431.db2.gz KERQABHQBBAKSA-NRFANRHFSA-N 1 0 446.548 1.855 50 0 IDAARO CCc1nc2cc(N3CCC[C@H](C(=O)NCCN4CC[NH+](C)CC4)C3)cnc2nc1CC ZINC000096387360 569398871 /nfs/dbraw/zinc/39/88/71/569398871.db2.gz ZPWULXRHFTZFDU-SFHVURJKSA-N 1 0 439.608 1.730 50 0 IDAARO O=C(COCc1nc2cc(F)ccc2[nH]1)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000670444734 569451728 /nfs/dbraw/zinc/45/17/28/569451728.db2.gz HTIOHSHGAKCRBP-YZPALWIMSA-N 1 0 449.530 1.902 50 0 IDAARO O=C(Cn1cc(Br)ccc1=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000032064947 569459067 /nfs/dbraw/zinc/45/90/67/569459067.db2.gz QDQQMNFUPNFQAY-UHFFFAOYSA-N 1 0 433.350 1.545 50 0 IDAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000039996843 569482418 /nfs/dbraw/zinc/48/24/18/569482418.db2.gz KHKCRUQIKDWSJS-UHFFFAOYSA-N 1 0 438.594 1.954 50 0 IDAARO COc1cccc(C(=O)N[C@@H](C)C(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)c1OC ZINC000008996499 569495740 /nfs/dbraw/zinc/49/57/40/569495740.db2.gz NHAZFLQPKPUXGL-AWEZNQCLSA-N 1 0 427.505 1.209 50 0 IDAARO CC(C)(C)OC[C@H](O)C[NH+]1CCN(CCNS(=O)(=O)c2cccc3ccccc32)CC1 ZINC000244969071 569496650 /nfs/dbraw/zinc/49/66/50/569496650.db2.gz GXBVOTCZMOWQGB-HXUWFJFHSA-N 1 0 449.617 1.912 50 0 IDAARO Cc1c(C)n2c(nc3c2c(=O)n(Cc2ccccc2F)c(=O)n3C)n1CCC[NH+](C)C ZINC000009060249 569499388 /nfs/dbraw/zinc/49/93/88/569499388.db2.gz AMFUOLQAANSCEO-UHFFFAOYSA-N 1 0 426.496 1.905 50 0 IDAARO CN1CC[N@H+](CCCNC(=O)CNC(=O)Cc2cccc(F)c2)[C@H](c2ccccc2)C1 ZINC000069950891 569525384 /nfs/dbraw/zinc/52/53/84/569525384.db2.gz JLQDROJYGAKEAD-QFIPXVFZSA-N 1 0 426.536 1.979 50 0 IDAARO Cn1c(C[NH+]2CCC([C@@H]3CCCCCN3C(=O)C3CCOCC3)CC2)cc(=O)n(C)c1=O ZINC000069966794 569525831 /nfs/dbraw/zinc/52/58/31/569525831.db2.gz YBFNUIWBBNNRLW-NRFANRHFSA-N 1 0 446.592 1.494 50 0 IDAARO Cc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)n1-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000009421554 569532745 /nfs/dbraw/zinc/53/27/45/569532745.db2.gz UNSCVHYYXCVCEJ-UHFFFAOYSA-N 1 0 436.516 1.849 50 0 IDAARO Cc1ccc(NC(=O)CSc2nc(N)cc(N)[nH+]2)cc1S(=O)(=O)N1CCCCC1 ZINC000009508297 569542269 /nfs/dbraw/zinc/54/22/69/569542269.db2.gz JUMBAHJMUQFKEL-UHFFFAOYSA-N 1 0 436.563 1.855 50 0 IDAARO O=C(NCCC[NH+]1CCCC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc21 ZINC000009597642 569550960 /nfs/dbraw/zinc/55/09/60/569550960.db2.gz XNFMDWOANPHZKN-UHFFFAOYSA-N 1 0 446.573 1.918 50 0 IDAARO CCOCCn1c(N2CC[NH+](Cc3cc(C)ccc3C)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000009714565 569562897 /nfs/dbraw/zinc/56/28/97/569562897.db2.gz IFUCENPVNOUQGY-UHFFFAOYSA-N 1 0 440.548 1.399 50 0 IDAARO C[NH+](C)CCNC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000009747394 569565803 /nfs/dbraw/zinc/56/58/03/569565803.db2.gz JRIGHMXXPXEXTB-INIZCTEOSA-N 1 0 444.985 1.067 50 0 IDAARO Cc1ccccc1CN1CCCn2nc(C(=O)NCCC(=O)NCC[NH+](C)C)cc2C1=O ZINC000037578354 569588043 /nfs/dbraw/zinc/58/80/43/569588043.db2.gz BZIGAAJDBQTYBE-UHFFFAOYSA-N 1 0 440.548 1.035 50 0 IDAARO