smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2ccc(NC(=S)NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000005064782 132275105 /nfs/dbraw/zinc/27/51/05/132275105.db2.gz RSRWYGNIUBHBMQ-UHFFFAOYSA-N 1 0 426.630 3.858 50 0 IHAARO Cc1ccc(CN(C)CC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)o1 ZINC000008724494 132291972 /nfs/dbraw/zinc/29/19/72/132291972.db2.gz GNVUMVXJQGLTOG-UHFFFAOYSA-N 1 0 432.568 3.981 50 0 IHAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cccc(Br)c2)CC1 ZINC000010059893 132334479 /nfs/dbraw/zinc/33/44/79/132334479.db2.gz GMMKIABFVUDNOT-UHFFFAOYSA-N 1 0 446.345 3.630 50 0 IHAARO O=C(NCc1ccc2c(c1)OCO2)c1ccc(N2CCC([NH2+]CCc3ccco3)CC2)cc1 ZINC000011790132 132339855 /nfs/dbraw/zinc/33/98/55/132339855.db2.gz NIJJYWIZVLQHIR-UHFFFAOYSA-N 1 0 447.535 3.739 50 0 IHAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1c(C)noc1-c1cc(OC)c(OC)c(OC)c1 ZINC000022655934 520628963 /nfs/dbraw/zinc/62/89/63/520628963.db2.gz DFJWBUMFYNMPCO-OAHLLOKOSA-N 1 0 433.549 3.916 50 0 IHAARO CC[NH+](CC)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021863248 520663296 /nfs/dbraw/zinc/66/32/96/520663296.db2.gz BYCHSGNIFQYQOJ-RUZDIDTESA-N 1 0 440.588 3.753 50 0 IHAARO CCOc1cc(C[NH2+]CCc2ccccc2)cc(Br)c1OCC(=O)N(C)C ZINC000022770428 520717881 /nfs/dbraw/zinc/71/78/81/520717881.db2.gz SSSFLWAZLGYFBY-UHFFFAOYSA-N 1 0 435.362 3.647 50 0 IHAARO CCOc1ccc(C[N@@H+]2CCN(Cc3[nH]c4ccc(OC)cc4c3C)C[C@@H]2CCO)cc1 ZINC000022851222 520973207 /nfs/dbraw/zinc/97/32/07/520973207.db2.gz CRQIKGNLEOGTIN-NRFANRHFSA-N 1 0 437.584 3.952 50 0 IHAARO CC1CC[NH+]([C@@H](CNC(=O)COc2cccc(N3CCCC3=O)c2)c2cccs2)CC1 ZINC000012738862 521034392 /nfs/dbraw/zinc/03/43/92/521034392.db2.gz CKIHOLNTCIHJNI-NRFANRHFSA-N 1 0 441.597 3.843 50 0 IHAARO CCC[C@]1(C2CC[NH+](Cc3ccc(OCC)cc3)CC2)NC(=O)N(C[C@@H]2CCCO2)C1=O ZINC000014888777 521314192 /nfs/dbraw/zinc/31/41/92/521314192.db2.gz FMNVEMSVDQZILH-WIOPSUGQSA-N 1 0 443.588 3.567 50 0 IHAARO CCCn1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)COc3ccc(C)cc3)ccc21 ZINC000020677660 521629040 /nfs/dbraw/zinc/62/90/40/521629040.db2.gz YDUAUPCSYKAUGT-UHFFFAOYSA-N 1 0 435.572 3.520 50 0 IHAARO CN(C)S(=O)(=O)c1cccc(NC(=O)C[N@H+](Cc2ccc(F)cc2)C2CCCCC2)c1 ZINC000012808946 521998949 /nfs/dbraw/zinc/99/89/49/521998949.db2.gz XPJYHXMUWOYAQV-UHFFFAOYSA-N 1 0 447.576 3.849 50 0 IHAARO CCc1[nH]nc(C(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)c1C ZINC000012447074 522133382 /nfs/dbraw/zinc/13/33/82/522133382.db2.gz ROCVGNDDDIGUHM-NRFANRHFSA-N 1 0 442.579 3.953 50 0 IHAARO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000012857342 522146266 /nfs/dbraw/zinc/14/62/66/522146266.db2.gz UEKVKIUUCNQONB-MSOLQXFVSA-N 1 0 426.538 3.702 50 0 IHAARO CCn1c(C)c(C[NH+]2CCC(C(=O)N3CCC4(CC3)OCCO4)CC2)c2ccccc21 ZINC000035457890 523123140 /nfs/dbraw/zinc/12/31/40/523123140.db2.gz CPRGMMUTOKDQMT-UHFFFAOYSA-N 1 0 425.573 3.547 50 0 biogenic IHAARO COc1ccc(-n2cc(C[NH2+]CCN3CCC[C@H](O)C3)c(-c3ccccc3Cl)n2)cc1 ZINC000020534321 523329800 /nfs/dbraw/zinc/32/98/00/523329800.db2.gz SYWSXJJABHATIE-FQEVSTJZSA-N 1 0 440.975 3.748 50 0 IHAARO CCn1ccnc1CN(C)Cc1ccc(OC[C@@H](O)C[NH+]2CCCCCCC2)c(OC)c1 ZINC000012314693 523524506 /nfs/dbraw/zinc/52/45/06/523524506.db2.gz KPDHUBJPGWVDAG-QFIPXVFZSA-N 1 0 444.620 3.549 50 0 IHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(c2ncc(-c3ccc(F)cc3)cn2)CC1 ZINC000035455267 524100642 /nfs/dbraw/zinc/10/06/42/524100642.db2.gz UTHVZSJCCFPPJR-LJQANCHMSA-N 1 0 439.579 3.880 50 0 IHAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3csc(-c4ccncc4)n3)CC2)c1 ZINC000035512097 524125110 /nfs/dbraw/zinc/12/51/10/524125110.db2.gz ZYEDPRYBZXVZJD-UHFFFAOYSA-N 1 0 435.597 3.764 50 0 IHAARO Cc1cccc(C(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)n1 ZINC000012579649 524164753 /nfs/dbraw/zinc/16/47/53/524164753.db2.gz CCJXSXRAGYSBGU-VWLOTQADSA-N 1 0 433.596 3.891 50 0 IHAARO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]2CCC[N@@H+]2[C@]12c1ccccc1N(C)C2=O ZINC000057992677 524239963 /nfs/dbraw/zinc/23/99/63/524239963.db2.gz QUKGRRJPRQBUTG-QDOIMOTRSA-N 1 0 425.916 3.643 50 0 biogenic IHAARO Cc1cc(C)cc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)c1 ZINC000020782122 524384047 /nfs/dbraw/zinc/38/40/47/524384047.db2.gz SNIQEMCFNDJKCO-NRFANRHFSA-N 1 0 431.584 3.763 50 0 IHAARO COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccc(NC(C)=O)s3)[N@@H+]3CCC[C@@]23C1=O ZINC000012432387 524456111 /nfs/dbraw/zinc/45/61/11/524456111.db2.gz PJTJMLOBZKWCRM-BSRJHKFKSA-N 1 0 425.554 3.653 50 0 IHAARO COc1ccccc1OCC(=O)NC[C@H]1CCC[N@H+](Cc2c[nH]nc2C2CCCCC2)C1 ZINC000012317649 524662315 /nfs/dbraw/zinc/66/23/15/524662315.db2.gz AUMCAURRWMBFNQ-LJQANCHMSA-N 1 0 440.588 3.873 50 0 IHAARO C[C@@H](CNC(=O)c1ccncc1)Oc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000012207222 524726434 /nfs/dbraw/zinc/72/64/34/524726434.db2.gz NWSBPOMQJIXBCM-NRFANRHFSA-N 1 0 430.552 3.601 50 0 IHAARO C[C@H](Cc1cccnc1)[NH+]1CCC(Oc2ccc(C(=O)NCc3ccccn3)cc2)CC1 ZINC000012303626 524742956 /nfs/dbraw/zinc/74/29/56/524742956.db2.gz DWQLBKOAXWIYKV-HXUWFJFHSA-N 1 0 430.552 3.881 50 0 IHAARO C[C@H](Cc1ccccn1)[NH+]1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000012308910 524743133 /nfs/dbraw/zinc/74/31/33/524743133.db2.gz ZJPHCDVVXQMDHZ-QGZVFWFLSA-N 1 0 433.512 3.527 50 0 IHAARO COc1ccc(OC)c(NC(=O)NCc2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)c1 ZINC000020927188 524858966 /nfs/dbraw/zinc/85/89/66/524858966.db2.gz UQBBBMWYWJIDDI-UHFFFAOYSA-N 1 0 426.542 3.866 50 0 IHAARO C[C@@H](Cc1ccccn1)NC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000012319926 524924937 /nfs/dbraw/zinc/92/49/37/524924937.db2.gz HVHKWCDLXQIZOV-FQEVSTJZSA-N 1 0 430.552 3.881 50 0 IHAARO C[C@](CNS(=O)(=O)c1ccccc1)(c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022035987 525140479 /nfs/dbraw/zinc/14/04/79/525140479.db2.gz GCQXXVXUSMINJH-SANMLTNESA-N 1 0 449.620 3.698 50 0 IHAARO C[C@H](NC(=O)c1ccc(N2CCC([NH2+]CCCN3CCCC3=O)CC2)cc1)c1ccccc1 ZINC000012218882 525215181 /nfs/dbraw/zinc/21/51/81/525215181.db2.gz GRGBYFPSFXOQAS-NRFANRHFSA-N 1 0 448.611 3.749 50 0 IHAARO Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)c2)cc1 ZINC000012605288 525303845 /nfs/dbraw/zinc/30/38/45/525303845.db2.gz BFDGREPCUILVGF-QHCPKHFHSA-N 1 0 437.565 3.829 50 0 IHAARO CSCCC[NH+]1CCC([C@]2(Cc3cccc(F)c3)NC(=O)N(CC(C)C)C2=O)CC1 ZINC000023251407 525446719 /nfs/dbraw/zinc/44/67/19/525446719.db2.gz GEIATZWXLDREKB-QHCPKHFHSA-N 1 0 435.609 3.780 50 0 IHAARO Cc1c(CNC(=O)c2ccc(OC3CC[NH+](CCc4ccccc4)CC3)cc2)cnn1C ZINC000012714769 525720369 /nfs/dbraw/zinc/72/03/69/525720369.db2.gz QLYPNLBRRSSBEH-UHFFFAOYSA-N 1 0 432.568 3.744 50 0 IHAARO Cc1cn2cc(CN3C(=O)CC[C@H]3CC[NH2+]Cc3cc4c(cc3Cl)OCO4)nc2s1 ZINC000012150910 525949013 /nfs/dbraw/zinc/94/90/13/525949013.db2.gz AQDLOIIMLQMJGR-INIZCTEOSA-N 1 0 446.960 3.757 50 0 IHAARO COc1cccc(CNc2ncc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(C)n2)c1 ZINC000021035559 526045910 /nfs/dbraw/zinc/04/59/10/526045910.db2.gz ZHEAZBNEJIQEKM-UHFFFAOYSA-N 1 0 445.567 3.800 50 0 IHAARO Cc1cc(-n2cccn2)ccc1C[N@@H+]1CCC[C@H](CNC(=O)c2[nH]nc3ccccc32)C1 ZINC000012207818 526072645 /nfs/dbraw/zinc/07/26/45/526072645.db2.gz QMTKKZSNUDKKBB-LJQANCHMSA-N 1 0 428.540 3.699 50 0 IHAARO Cc1ccc(C(=O)Nc2ccc(N3CCC([N@H+](C)C[C@@H]4COCCO4)CC3)cc2)c(C)c1 ZINC000012152055 526221410 /nfs/dbraw/zinc/22/14/10/526221410.db2.gz QMHKBURSRNTMFX-XMMPIXPASA-N 1 0 437.584 3.872 50 0 IHAARO Fc1ccc(C[N@@H+]2CCC[C@H](c3nc4c5cnn(-c6ccccc6)c5ncn4n3)C2)cc1 ZINC000022485771 526333372 /nfs/dbraw/zinc/33/33/72/526333372.db2.gz ALVBQRWZZPWZKV-SFHVURJKSA-N 1 0 427.487 3.982 50 0 IHAARO Cc1nnsc1C(=O)N(C)C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012711362 526440206 /nfs/dbraw/zinc/44/02/06/526440206.db2.gz SANJPAPUWSEKOY-MRXNPFEDSA-N 1 0 426.508 3.892 50 0 IHAARO Cc1noc(C)c1S(=O)(=O)NC[C@H](C)Oc1cccc(C[N@H+](C)Cc2ccsc2)c1 ZINC000012456460 526555148 /nfs/dbraw/zinc/55/51/48/526555148.db2.gz UTEXDPBWSYUYLB-HNNXBMFYSA-N 1 0 449.598 3.731 50 0 IHAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000012788247 526581261 /nfs/dbraw/zinc/58/12/61/526581261.db2.gz JTOCNQCCJCSHKZ-HXUWFJFHSA-N 1 0 449.532 3.704 50 0 IHAARO O=C(c1ccccc1)[C@H]1[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCC[N@@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000035361864 526797264 /nfs/dbraw/zinc/79/72/64/526797264.db2.gz VIMCJHGKXMIUOX-YRLQWRJRSA-N 1 0 449.510 3.701 50 0 biogenic IHAARO Cn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000009450763 527067981 /nfs/dbraw/zinc/06/79/81/527067981.db2.gz CSJQTVRPJYUDHW-UHFFFAOYSA-N 1 0 427.599 3.794 50 0 IHAARO O=S(=O)(NC1CCCC1)c1ccc(NCc2ccc(C[NH+]3CCCCC3)cc2)nc1 ZINC000012817413 527209190 /nfs/dbraw/zinc/20/91/90/527209190.db2.gz MJCMTCDRZFBPQT-UHFFFAOYSA-N 1 0 428.602 3.901 50 0 IHAARO O=C(NC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@@H]12 ZINC000035871468 527494123 /nfs/dbraw/zinc/49/41/23/527494123.db2.gz LCCATPJKQSSUME-GMAHTHKFSA-N 1 0 443.513 3.890 50 0 IHAARO COc1ccc(OC)c([N+]2=C3CCCCCN3C[C@@]2(O)c2ccc(OC(F)F)cc2)c1 ZINC000002597966 555789823 /nfs/dbraw/zinc/78/98/23/555789823.db2.gz CQFPOFPEQAJVGR-HSZRJFAPSA-N 1 0 433.475 3.956 50 0 IHAARO Cc1ccc(N2CC[NH+](Cc3ccc(C(=O)NCCc4ccccn4)cc3)CC2)cc1C ZINC000034668100 555792017 /nfs/dbraw/zinc/79/20/17/555792017.db2.gz BLQWRCZWVDANNT-UHFFFAOYSA-N 1 0 428.580 3.993 50 0 IHAARO COc1ccc(N(C(C)=O)C2CC[NH+](Cc3cccc(OC)c3OC)CC2)cc1OC ZINC000034682854 555817542 /nfs/dbraw/zinc/81/75/42/555817542.db2.gz UUDORWVMMJMQLZ-UHFFFAOYSA-N 1 0 428.529 3.739 50 0 IHAARO CCNC(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C(C)C)CC1)C(C)C ZINC000034835871 555913910 /nfs/dbraw/zinc/91/39/10/555913910.db2.gz ICNCANFAFPUIOW-UHFFFAOYSA-N 1 0 444.599 3.790 50 0 IHAARO Cc1cc(O[C@@H](C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c2c3c(c(=O)oc2c1)CCC3 ZINC000005246185 556039604 /nfs/dbraw/zinc/03/96/04/556039604.db2.gz RWWMFOMLJZFXKP-HNNXBMFYSA-N 1 0 426.557 3.783 50 0 IHAARO Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000002780634 556141619 /nfs/dbraw/zinc/14/16/19/556141619.db2.gz RYAHHFMMJPIXOY-NSHDSACASA-N 1 0 425.293 3.523 50 0 IHAARO C[C@@H](NC(=O)OCc1ccccc1)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000032781165 556347339 /nfs/dbraw/zinc/34/73/39/556347339.db2.gz VRCGAKBRPDJZSQ-QGZVFWFLSA-N 1 0 429.948 3.736 50 0 IHAARO COc1cc(NC(=O)CC[C@H]2CCCN(C(=O)C[NH+]3CCCCCC3)C2)cc(OC)c1 ZINC000011815905 556358806 /nfs/dbraw/zinc/35/88/06/556358806.db2.gz QGQAFEWEDNRWRU-LJQANCHMSA-N 1 0 431.577 3.537 50 0 IHAARO O=S(=O)(NC[C@H]1CCC2(CC[NH+](C/C=C/c3ccccc3)CC2)O1)c1ccccc1 ZINC000011839573 556364206 /nfs/dbraw/zinc/36/42/06/556364206.db2.gz MYSLTNGUQJSSOT-HWWNHIDJSA-N 1 0 426.582 3.692 50 0 IHAARO Cc1ccc(-c2cccc3c2O[C@H](CNC(=O)c2ccc(N4CC[NH+](C)CC4)cc2)C3)nc1 ZINC000011840517 556364822 /nfs/dbraw/zinc/36/48/22/556364822.db2.gz ZBYSWNSDNCTSRM-QHCPKHFHSA-N 1 0 442.563 3.542 50 0 IHAARO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC000011843636 556366750 /nfs/dbraw/zinc/36/67/50/556366750.db2.gz XEUQFODBOOUAJE-UHFFFAOYSA-N 1 0 432.484 3.517 50 0 IHAARO Cn1c(C[NH+]2CCC(CCC(=O)N3CCN(c4ccccc4)CC3)CC2)nc2ccccc21 ZINC000011935432 556378275 /nfs/dbraw/zinc/37/82/75/556378275.db2.gz QZEVAWHHGWAYHI-UHFFFAOYSA-N 1 0 445.611 3.914 50 0 IHAARO CC(=O)c1cc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3cccc(C(F)(F)F)c3)C2)[nH]n1 ZINC000011936545 556378830 /nfs/dbraw/zinc/37/88/30/556378830.db2.gz YSQZDYXIHLELHJ-QGZVFWFLSA-N 1 0 436.478 3.658 50 0 IHAARO COc1ccccc1C[NH+]1CCC2(CC[C@@H](CNC(=O)[C@H]3CC(=O)c4ccccc43)O2)CC1 ZINC000012002734 556385903 /nfs/dbraw/zinc/38/59/03/556385903.db2.gz SGAVVZLEKYUVKW-REWPJTCUSA-N 1 0 448.563 3.695 50 0 IHAARO COc1ccc(C)cc1N1C[C@@H](C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1=O ZINC000014254518 556410435 /nfs/dbraw/zinc/41/04/35/556410435.db2.gz IIJDYTMBDUINCZ-QFIPXVFZSA-N 1 0 435.568 3.659 50 0 IHAARO CCN1C(=O)N(Cc2cccc3ccccc32)C(=O)C12CC[NH+](Cc1cnn(C)c1C)CC2 ZINC000014732235 556437185 /nfs/dbraw/zinc/43/71/85/556437185.db2.gz QANCIWBSNHBJEU-UHFFFAOYSA-N 1 0 445.567 3.701 50 0 IHAARO CC(C)CN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1cccnc1)CC2 ZINC000014733668 556437845 /nfs/dbraw/zinc/43/78/45/556437845.db2.gz PTOXNMUYTODNKP-UHFFFAOYSA-N 1 0 432.568 3.504 50 0 IHAARO CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+]([C@@H]1CCc3ccccc3C1)CC2 ZINC000014744094 556440070 /nfs/dbraw/zinc/44/00/70/556440070.db2.gz OCWATDLTIGFXOW-XMMPIXPASA-N 1 0 443.591 3.830 50 0 IHAARO COCCN1C(=O)N(Cc2cccc3ccccc32)C(=O)C12CC[NH+](Cc1ccoc1)CC2 ZINC000014747697 556441947 /nfs/dbraw/zinc/44/19/47/556441947.db2.gz KQSTVJHTIVVXAZ-UHFFFAOYSA-N 1 0 447.535 3.878 50 0 IHAARO CSC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1 ZINC000014749043 556442626 /nfs/dbraw/zinc/44/26/26/556442626.db2.gz RSBYVUJTLMYZFH-IBGZPJMESA-N 1 0 438.597 3.632 50 0 IHAARO COc1ccccc1[C@H](CNC(=O)[C@H]1CCCN1C(=O)C1CCCCC1)[NH+]1CCCCC1 ZINC000072272713 556447187 /nfs/dbraw/zinc/44/71/87/556447187.db2.gz YWKJMAUFUWKFFU-PKTZIBPZSA-N 1 0 441.616 3.910 50 0 IHAARO C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@@]4(O)[C@@H]5C[C@@H](O)[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3C[N@@H+]2C1 ZINC000028539600 556456719 /nfs/dbraw/zinc/45/67/19/556456719.db2.gz NQGYOUYEGZOZBN-QAJIXOGVSA-N 1 0 431.661 3.678 50 0 biogenic IHAARO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CC[NH+](C(C)C)CC3)ccc2C)cc1 ZINC000014939292 556459178 /nfs/dbraw/zinc/45/91/78/556459178.db2.gz HNRGRLLRBPMFLR-UHFFFAOYSA-N 1 0 429.586 3.707 50 0 IHAARO O=C(CCCn1c(=O)oc2ccccc21)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000013127895 556476740 /nfs/dbraw/zinc/47/67/40/556476740.db2.gz JBYQMPWEEMKNGB-UHFFFAOYSA-N 1 0 429.520 3.872 50 0 IHAARO C[C@H](Cc1ccccc1F)[NH2+]Cc1cc(NC(=O)c2ccccn2)cc(C(=O)N(C)C)c1 ZINC000014994093 556476807 /nfs/dbraw/zinc/47/68/07/556476807.db2.gz HALFDGHQOHGZNZ-QGZVFWFLSA-N 1 0 434.515 3.896 50 0 IHAARO COc1ccccc1CCN1C(=O)CC[C@@H]1CC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000014995671 556477642 /nfs/dbraw/zinc/47/76/42/556477642.db2.gz TUGUMTPAEKFNHV-GOSISDBHSA-N 1 0 430.932 3.791 50 0 IHAARO O=c1c2c(ncn1Cc1ccncc1)sc1c2CC[C@H]([NH2+]Cc2ccc(F)cc2F)C1 ZINC000015003160 556480949 /nfs/dbraw/zinc/48/09/49/556480949.db2.gz WCEJHJFTYKXLCI-KRWDZBQOSA-N 1 0 438.503 3.827 50 0 IHAARO Fc1ccc(-c2csc3ncnc(NC[C@@H]([C@H]4CCOC4)[NH+]4CCOCC4)c23)cc1 ZINC000029831636 556483534 /nfs/dbraw/zinc/48/35/34/556483534.db2.gz MKWVFBWPDXBBEY-LPHOPBHVSA-N 1 0 428.533 3.647 50 0 IHAARO COc1cc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)c(NC(=O)C2CC2)cc1OC ZINC000015080994 556501054 /nfs/dbraw/zinc/50/10/54/556501054.db2.gz FGXCKOUCYZVLBG-HXUWFJFHSA-N 1 0 440.540 3.841 50 0 IHAARO CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccc(N4CC[NH+](C)CC4)nc3)n2)cc1 ZINC000032898869 556517221 /nfs/dbraw/zinc/51/72/21/556517221.db2.gz WFFOTBRRNONZGM-UHFFFAOYSA-N 1 0 434.544 3.578 50 0 IHAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1nn2cc(Br)cnc2c1Cl ZINC000015319709 556519823 /nfs/dbraw/zinc/51/98/23/556519823.db2.gz UPZBPJXOSSLKCU-AAEUAGOBSA-N 1 0 427.730 3.567 50 0 IHAARO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+]C[C@@H](C(C)C)N1CCOCC1)c1ccccc1 ZINC000032900793 556534984 /nfs/dbraw/zinc/53/49/84/556534984.db2.gz PVXBBZABLPWDGG-UPVQGACJSA-N 1 0 425.573 3.630 50 0 IHAARO CCc1ccc(C[NH+]2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc1 ZINC000015856097 556557664 /nfs/dbraw/zinc/55/76/64/556557664.db2.gz KRVGNGVREXBOLU-UHFFFAOYSA-N 1 0 449.595 3.534 50 0 IHAARO Cc1cc(CN2CCC([N@H+](C)Cc3nnc(-c4ccc(Br)cc4)o3)CC2)on1 ZINC000072308325 556565813 /nfs/dbraw/zinc/56/58/13/556565813.db2.gz UGIFEVMUQIOXDZ-UHFFFAOYSA-N 1 0 446.349 3.892 50 0 IHAARO CN(C)S(=O)(=O)c1cc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)ccc1Cl ZINC000032960866 556571060 /nfs/dbraw/zinc/57/10/60/556571060.db2.gz BQYFEWGBXIJVAP-UHFFFAOYSA-N 1 0 442.025 3.509 50 0 IHAARO O[C@H](COCc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000034870253 556584781 /nfs/dbraw/zinc/58/47/81/556584781.db2.gz VEXOBJRUMPTMPY-ROUUACIJSA-N 1 0 426.538 3.782 50 0 IHAARO Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCCCN2CC[NH+](C)CC2)cc1 ZINC000032974930 556596497 /nfs/dbraw/zinc/59/64/97/556596497.db2.gz RDXUYLGLSYASRI-UHFFFAOYSA-N 1 0 445.611 3.534 50 0 IHAARO COc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1OCc1ccc2c(c1)n(C)c(=O)n2C ZINC000016363969 556603376 /nfs/dbraw/zinc/60/33/76/556603376.db2.gz ORMULBRIZSRIFS-UHFFFAOYSA-N 1 0 435.499 3.894 50 0 IHAARO COc1cc(C[NH2+]CCc2ccccc2)ccc1OCc1ccc2c(c1)n(C)c(=O)n2C ZINC000016363965 556603427 /nfs/dbraw/zinc/60/34/27/556603427.db2.gz PBSXDBMLYBWQST-UHFFFAOYSA-N 1 0 431.536 3.797 50 0 IHAARO CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000011714143 556643477 /nfs/dbraw/zinc/64/34/77/556643477.db2.gz FDGZQTQTONOWBN-LJQANCHMSA-N 1 0 428.404 3.986 50 0 IHAARO CC(C)Cc1nnc(C(=O)Nc2ccc(C(=O)NCC[N@H+](C)C3CCCCC3)cc2)s1 ZINC000033011336 556659773 /nfs/dbraw/zinc/65/97/73/556659773.db2.gz USCCSOGMNCGONQ-UHFFFAOYSA-N 1 0 443.617 3.983 50 0 IHAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)c1ccc2c(c1)OCCO2 ZINC000011843107 556660566 /nfs/dbraw/zinc/66/05/66/556660566.db2.gz FMAXWAKERHQGFZ-UHFFFAOYSA-N 1 0 442.531 3.598 50 0 IHAARO CCCC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248107976 556662999 /nfs/dbraw/zinc/66/29/99/556662999.db2.gz RJARQQYINIACDN-YADARESESA-N 1 0 439.625 3.863 50 0 IHAARO CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CC[N@@H+](C)C[C@H]12 ZINC000248085622 556686413 /nfs/dbraw/zinc/68/64/13/556686413.db2.gz BFOGSGSBDUJOMY-UNMCSNQZSA-N 1 0 439.357 3.535 50 0 biogenic IHAARO O=C(CCN(C(=O)c1ccc(C(F)(F)F)cc1)C1CCCCCC1)N1CC[NH2+]CC1 ZINC000045966577 556688879 /nfs/dbraw/zinc/68/88/79/556688879.db2.gz OJMCGNQRCOLNGK-UHFFFAOYSA-N 1 0 425.495 3.692 50 0 IHAARO Cn1c(=O)cc(SCC(=O)NCCC[N@H+](C)Cc2ccccc2)c2cc(Cl)ccc21 ZINC000013574621 556698239 /nfs/dbraw/zinc/69/82/39/556698239.db2.gz NOWWAJANJXDNIM-UHFFFAOYSA-N 1 0 444.000 3.922 50 0 IHAARO CC[N@@H+](Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12)C[C@H]1CCCO1 ZINC000055414846 556741227 /nfs/dbraw/zinc/74/12/27/556741227.db2.gz MVHZUDLDUHTFDG-JOCHJYFZSA-N 1 0 434.584 3.958 50 0 IHAARO O=C(Cc1noc2ccccc12)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000060365681 556747793 /nfs/dbraw/zinc/74/77/93/556747793.db2.gz WDDCMCDYJQSMOC-UHFFFAOYSA-N 1 0 441.535 3.769 50 0 IHAARO O=C(CNC(=O)c1ccc(Cl)cc1Cl)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058061241 556756152 /nfs/dbraw/zinc/75/61/52/556756152.db2.gz IELAHPHDLYBRAB-KRWDZBQOSA-N 1 0 434.367 3.752 50 0 IHAARO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)CC[C@@H]3Cc4ccccc4NC3=O)cc2)C[C@H](C)O1 ZINC000058082809 556757066 /nfs/dbraw/zinc/75/70/66/556757066.db2.gz FLDPUDIBDQLUPU-SELNLUPBSA-N 1 0 435.568 3.503 50 0 IHAARO CCC[NH+]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)CC1 ZINC000058149030 556762021 /nfs/dbraw/zinc/76/20/21/556762021.db2.gz YBLXDHJYDVNVJK-UHFFFAOYSA-N 1 0 434.540 3.724 50 0 IHAARO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000058159653 556764137 /nfs/dbraw/zinc/76/41/37/556764137.db2.gz VOUOZCHHEVVTLG-OAQYLSRUSA-N 1 0 426.586 3.816 50 0 IHAARO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000058314167 556780360 /nfs/dbraw/zinc/78/03/60/556780360.db2.gz LLGRCJZADWNYNS-UHFFFAOYSA-N 1 0 428.536 3.871 50 0 IHAARO CN(C[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000058440049 556788622 /nfs/dbraw/zinc/78/86/22/556788622.db2.gz SSZWURJPJXWKJU-QFIPXVFZSA-N 1 0 444.417 3.875 50 0 IHAARO Cc1onc(-c2ccccc2Cl)c1C(=O)NCCNc1cc(N2CCCC2)nc(C)[nH+]1 ZINC000065365188 556835912 /nfs/dbraw/zinc/83/59/12/556835912.db2.gz JQPQPZDKNWMRBW-UHFFFAOYSA-N 1 0 440.935 3.844 50 0 IHAARO Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2cc(N3CCCC3)[nH+]c(C)n2)CC1 ZINC000067614234 556844865 /nfs/dbraw/zinc/84/48/65/556844865.db2.gz TXGWZVMRXXEVCR-UHFFFAOYSA-N 1 0 448.596 3.780 50 0 IHAARO CCc1cc2c(ncnc2N2CCC[C@H](C(=O)NCCC[NH+]3CCCCCC3)C2)s1 ZINC000033078484 556853388 /nfs/dbraw/zinc/85/33/88/556853388.db2.gz LPMHKKZUHFEAHH-SFHVURJKSA-N 1 0 429.634 3.852 50 0 IHAARO CCC[NH+]1CCN(CCNC(=O)c2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)CC1 ZINC000033261354 556900485 /nfs/dbraw/zinc/90/04/85/556900485.db2.gz JQHWPEJTJDAXDC-UHFFFAOYSA-N 1 0 444.583 3.645 50 0 IHAARO COc1ccccc1OCC[NH2+]C[C@@H](O)COc1cc(C)c(OC(=O)C(C)C)c(C)c1C ZINC000019800212 556917383 /nfs/dbraw/zinc/91/73/83/556917383.db2.gz YUZMOGBQPNIKNZ-HXUWFJFHSA-N 1 0 445.556 3.590 50 0 IHAARO CCOc1ccc(N2C(=O)C[C@H](N3CCC(CC[NH+]4CCC(C)CC4)CC3)C2=O)cc1 ZINC000019890124 556939317 /nfs/dbraw/zinc/93/93/17/556939317.db2.gz WFBRRYBRJMTQEJ-QHCPKHFHSA-N 1 0 427.589 3.551 50 0 IHAARO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@H](C)N1CC[NH+](C2CCCCC2)CC1 ZINC000019948807 556954456 /nfs/dbraw/zinc/95/44/56/556954456.db2.gz RQYJLKUFFIDFFJ-KRWDZBQOSA-N 1 0 426.561 3.540 50 0 IHAARO Cc1cc2nc(C(F)(F)F)c(=O)n([C@H](C)C(=O)NCC[NH+]3CCCCCC3)c2cc1C ZINC000032945093 557028318 /nfs/dbraw/zinc/02/83/18/557028318.db2.gz ZWUILGUHYOWQMK-MRXNPFEDSA-N 1 0 438.494 3.585 50 0 IHAARO COc1ccc(C[N@H+]2CCN(Cc3cc(OC)c(O)cc3Cl)C[C@@H]2CCO)c(C)c1C ZINC000022919116 557046143 /nfs/dbraw/zinc/04/61/43/557046143.db2.gz GBXPZNRZQWBBIY-FQEVSTJZSA-N 1 0 448.991 3.748 50 0 IHAARO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](NC(=O)C1CCCCC1)C(C)C)c1cccc(OC)c1 ZINC000022969332 557055009 /nfs/dbraw/zinc/05/50/09/557055009.db2.gz UUPJTJGJUZKZQU-GOTSBHOMSA-N 1 0 431.621 3.915 50 0 IHAARO C[N@@H+]1CCN(CCNC(=O)COC(c2ccccc2)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000048303173 557064693 /nfs/dbraw/zinc/06/46/93/557064693.db2.gz VSNWMKAKMQKOLZ-SANMLTNESA-N 1 0 443.591 3.898 50 0 IHAARO C[C@@H](C(=O)N1CCC[C@@H]2C[N@H+](Cc3ccsc3)CC[C@H]21)c1n[nH]c(=O)c2ccccc21 ZINC000023130688 557066680 /nfs/dbraw/zinc/06/66/80/557066680.db2.gz BZSQTBQJVCZHEW-HGHGUNKESA-N 1 0 436.581 3.601 50 0 IHAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccc(CS(C)(=O)=O)cc3)cc2)C1 ZINC000048345523 557071887 /nfs/dbraw/zinc/07/18/87/557071887.db2.gz CGIYGEGRUZOOEC-OALUTQOASA-N 1 0 428.598 3.639 50 0 IHAARO O=C(c1cc(-c2ccc(F)cc2)nc2ccccc21)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000023257870 557080235 /nfs/dbraw/zinc/08/02/35/557080235.db2.gz JPCWHLBSPLRBNQ-UHFFFAOYSA-N 1 0 432.543 3.895 50 0 IHAARO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2cnc(N(C)C)s2)CC1 ZINC000023339170 557085500 /nfs/dbraw/zinc/08/55/00/557085500.db2.gz OEHRJJPCSTWGRW-UHFFFAOYSA-N 1 0 440.573 3.504 50 0 IHAARO O=C(COc1ccc(Cl)cc1Cl)NCCNc1ccc(Nc2cc[nH+]cc2)nn1 ZINC000049343648 557094277 /nfs/dbraw/zinc/09/42/77/557094277.db2.gz PKAZBKGZWPEDNA-UHFFFAOYSA-N 1 0 433.299 3.529 50 0 IHAARO CCCCc1ccc(NC(=O)Cn2cnc3c(c2=O)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000049400747 557096230 /nfs/dbraw/zinc/09/62/30/557096230.db2.gz UVKFKBUBUIEPJC-UHFFFAOYSA-N 1 0 430.552 3.783 50 0 IHAARO CC(C)(C)c1ccc(OCCOC[C@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000023224722 557116256 /nfs/dbraw/zinc/11/62/56/557116256.db2.gz HAPWMXZGOYFQOT-HSZRJFAPSA-N 1 0 430.564 3.702 50 0 IHAARO Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023805376 557117033 /nfs/dbraw/zinc/11/70/33/557117033.db2.gz SQQZOIXKYDRGTJ-UHFFFAOYSA-N 1 0 441.620 3.713 50 0 IHAARO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1 ZINC000072289291 557151605 /nfs/dbraw/zinc/15/16/05/557151605.db2.gz FMCKSYYAAFCCQH-CEXWTWQISA-N 1 0 429.605 3.531 50 0 IHAARO CC[NH+]1CCN(c2ccc(NC(=O)C3CCN(C(=O)c4ccccc4C)CC3)cc2C)CC1 ZINC000024774372 557166235 /nfs/dbraw/zinc/16/62/35/557166235.db2.gz IIGHQYUNKZVPRV-UHFFFAOYSA-N 1 0 448.611 3.936 50 0 IHAARO O=C1C[C@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000096562022 557203130 /nfs/dbraw/zinc/20/31/30/557203130.db2.gz OUQYUAHKJVNISO-DEOSSOPVSA-N 1 0 443.522 3.865 50 0 IHAARO COc1ccc(OC)c([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CC[NH+](C)C)c1 ZINC000011614660 557211177 /nfs/dbraw/zinc/21/11/77/557211177.db2.gz VVWQYLKLXFYANX-HXUWFJFHSA-N 1 0 442.899 3.570 50 0 IHAARO CC(=O)CCc1ccc(OC[C@@H](O)C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000025638265 557220320 /nfs/dbraw/zinc/22/03/20/557220320.db2.gz SDIARYLNUJEAQG-QFIPXVFZSA-N 1 0 430.976 3.732 50 0 IHAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccc(F)cc2)cc1 ZINC000018195198 557247652 /nfs/dbraw/zinc/24/76/52/557247652.db2.gz PZCMITMBCQEGFR-VGOFMYFVSA-N 1 0 443.544 3.851 50 0 IHAARO COc1ccccc1[C@H](CNC(=O)c1cccc(NC(=O)c2cccnc2)c1)[NH+]1CCCC1 ZINC000070010993 557266120 /nfs/dbraw/zinc/26/61/20/557266120.db2.gz WHRGSGGJWIGBGC-QHCPKHFHSA-N 1 0 444.535 3.909 50 0 IHAARO COc1ccc(-c2nc(C(=O)Nc3ccccc3N3CC[NH+](C)CC3)cs2)cc1OC ZINC000032778019 557315897 /nfs/dbraw/zinc/31/58/97/557315897.db2.gz NDYZOTQHTCSOIX-UHFFFAOYSA-N 1 0 438.553 3.831 50 0 IHAARO CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000247859976 557364673 /nfs/dbraw/zinc/36/46/73/557364673.db2.gz FPNPKKNUBZDJTB-CKRAVPEWSA-N 1 0 449.938 3.642 50 0 IHAARO O=C(NC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000104916356 557465144 /nfs/dbraw/zinc/46/51/44/557465144.db2.gz CQGUBYASTKGIBU-RBBKRZOGSA-N 1 0 429.486 3.847 50 0 IHAARO COc1ccc(OC)c([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)c1 ZINC000008601380 562955303 /nfs/dbraw/zinc/95/53/03/562955303.db2.gz OMTXJQUPLRWQGK-QFIPXVFZSA-N 1 0 436.508 3.616 50 0 IHAARO COc1cc2c(c(OC[C@H](O)C[NH2+]C(C)C)c1)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 ZINC000008917696 562966060 /nfs/dbraw/zinc/96/60/60/562966060.db2.gz LMFGSZBVOQSYSJ-SHDQBEOMSA-N 1 0 447.572 3.915 50 0 IHAARO Cc1c2ccccc2oc1C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000009125449 562967458 /nfs/dbraw/zinc/96/74/58/562967458.db2.gz DGVRYZQSEFWJOJ-UHFFFAOYSA-N 1 0 441.553 3.708 50 0 IHAARO CCOc1ccc(N2C(=O)c3ccccc3C(=CNNc3nc(C)cc(C)[nH+]3)C2=O)cc1 ZINC000009580150 562973530 /nfs/dbraw/zinc/97/35/30/562973530.db2.gz QAIKSQAZKOHCBE-STZFKDTASA-N 1 0 429.480 3.637 50 0 IHAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)Cc4ccc(OC)c(OC)c4)ccc3n2)CC1 ZINC000020108627 563023678 /nfs/dbraw/zinc/02/36/78/563023678.db2.gz JTDITLZRBXKAEL-UHFFFAOYSA-N 1 0 448.567 3.884 50 0 IHAARO O=C(NC1CCCC1)c1ccc(OC2CC[NH+]([C@@H]3CN4CCC3CC4)CC2)c(Cl)c1 ZINC000023374643 568613929 /nfs/dbraw/zinc/61/39/29/568613929.db2.gz KAEYKELXYNKSPK-JOCHJYFZSA-N 1 0 432.008 3.950 50 0 IHAARO COc1cccc(C[N@H+](C[C@H](O)COC(C)(C)C)C[C@H]2CC(c3ccccc3)=NO2)c1 ZINC000104984606 568623588 /nfs/dbraw/zinc/62/35/88/568623588.db2.gz JPJKNEIDNDKGRE-JTHBVZDNSA-N 1 0 426.557 3.866 50 0 IHAARO Cc1cc(C[NH+]2CCC(CNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c(C)o1 ZINC000043941143 568743665 /nfs/dbraw/zinc/74/36/65/568743665.db2.gz HIFHQDSVUMPRRH-UHFFFAOYSA-N 1 0 437.462 3.882 50 0 IHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2ncc(C)c(-c3cccs3)n2)c1C1CC1 ZINC000299785978 568757512 /nfs/dbraw/zinc/75/75/12/568757512.db2.gz PDMDBAMGNFTONE-KRWDZBQOSA-N 1 0 436.585 3.791 50 0 IHAARO CN(C)S(=O)(=O)c1cccc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)c1 ZINC000083852281 568783018 /nfs/dbraw/zinc/78/30/18/568783018.db2.gz SDDXZIYNIZVFET-QFIPXVFZSA-N 1 0 430.595 3.734 50 0 IHAARO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000083864126 568783823 /nfs/dbraw/zinc/78/38/23/568783823.db2.gz UBYBCCQBAALIKP-QGZVFWFLSA-N 1 0 437.428 3.765 50 0 IHAARO O=S(=O)(NCc1ccccc1C[NH+]1CCCC1)c1cc(Br)ccc1F ZINC000084505916 568798424 /nfs/dbraw/zinc/79/84/24/568798424.db2.gz NCPSJPFRUJMLJZ-UHFFFAOYSA-N 1 0 427.339 3.663 50 0 IHAARO CCC[N@H+](CC(=O)Nc1cccc(I)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000084750352 568800939 /nfs/dbraw/zinc/80/09/39/568800939.db2.gz SAZXOMCXQUIHQK-JQHSSLGASA-N 1 0 442.341 3.755 50 0 IHAARO C[NH+](C)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015678247 568804728 /nfs/dbraw/zinc/80/47/28/568804728.db2.gz NTVDOEUKRRBIPQ-RUZDIDTESA-N 1 0 440.588 3.753 50 0 IHAARO CCn1c2ccc(OC)cc2c(N2CCCC2=O)c1C(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000015681894 568806814 /nfs/dbraw/zinc/80/68/14/568806814.db2.gz TYKATWOFFRIAAB-SFHVURJKSA-N 1 0 440.588 3.648 50 0 IHAARO C[C@@H]1CSc2ccc(S(=O)(=O)Nc3cccc(C[NH+]4CCCC4)c3)cc2NC1=O ZINC000015731212 568814547 /nfs/dbraw/zinc/81/45/47/568814547.db2.gz LMSCSULAGPYULT-OAHLLOKOSA-N 1 0 431.583 3.764 50 0 IHAARO CCC[NH+]1CCN(CCNC(=O)c2ccc(Nc3ccnc(-c4ccccc4)n3)cc2)CC1 ZINC000085649889 568831239 /nfs/dbraw/zinc/83/12/39/568831239.db2.gz MWOYDAQNPDDZIH-UHFFFAOYSA-N 1 0 444.583 3.645 50 0 IHAARO COc1ccc2c(c1)C[C@H](NC(=O)NCCC[NH+]1CCC(Cc3ccccc3)CC1)CO2 ZINC000015820925 568839808 /nfs/dbraw/zinc/83/98/08/568839808.db2.gz JNYHNYPGAOOIPV-QHCPKHFHSA-N 1 0 437.584 3.643 50 0 IHAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O ZINC000015883337 568857619 /nfs/dbraw/zinc/85/76/19/568857619.db2.gz YKLUVVOIBFKMPC-GOSISDBHSA-N 1 0 438.547 3.824 50 0 IHAARO Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016001745 568862241 /nfs/dbraw/zinc/86/22/41/568862241.db2.gz UOUDTJKJGXFWJA-PBQROFAYSA-N 1 0 449.938 3.696 50 0 IHAARO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1cc2ccccc2o1 ZINC000575621600 568883233 /nfs/dbraw/zinc/88/32/33/568883233.db2.gz PXWWHZKCSDYTMO-INIZCTEOSA-N 1 0 435.402 3.689 50 0 IHAARO CN(C(=O)Nc1ccc2c(c1)OCCCO2)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000222018672 568884999 /nfs/dbraw/zinc/88/49/99/568884999.db2.gz ZDXUAGUOJWLTHN-LEWJYISDSA-N 1 0 430.593 3.649 50 0 IHAARO O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000229668306 568886688 /nfs/dbraw/zinc/88/66/88/568886688.db2.gz ULDJZODPCCYPEU-YKSBVNFPSA-N 1 0 431.536 3.663 50 0 IHAARO O=C(CCNc1c(-c2ccccc2)nc2cnccn21)N1CCC([NH+]2CCCCC2)CC1 ZINC000064758510 568951655 /nfs/dbraw/zinc/95/16/55/568951655.db2.gz DRLHZMNJIOZZEI-UHFFFAOYSA-N 1 0 432.572 3.675 50 0 IHAARO CC(C)c1cc(N2CCCC2)nc(SCc2ccc(C(=O)NCC[NH+](C)C)cc2)n1 ZINC000006695491 568952480 /nfs/dbraw/zinc/95/24/80/568952480.db2.gz OYWLJGVNRGVCMW-UHFFFAOYSA-N 1 0 427.618 3.784 50 0 IHAARO CCN1c2cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)ccc2C(=O)N2CCCCC[C@H]12 ZINC000169765966 569096946 /nfs/dbraw/zinc/09/69/46/569096946.db2.gz UTUTVMSCZFWSRK-XMMPIXPASA-N 1 0 438.616 3.959 50 0 IHAARO O=C(CN1CCC[C@@H](c2nc3ccccc3s2)C1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000036477422 569113068 /nfs/dbraw/zinc/11/30/68/569113068.db2.gz ZVTHZKNSRZHPIO-RTWAWAEBSA-N 1 0 434.609 3.866 50 0 IHAARO CCCNc1cc(N2CCC[C@@H](CCC(=O)N3CC[NH+](C4CCCCC4)CC3)C2)ncn1 ZINC000065244839 569121522 /nfs/dbraw/zinc/12/15/22/569121522.db2.gz NTOSCBQINRKSPI-NRFANRHFSA-N 1 0 442.652 3.772 50 0 IHAARO Cc1ccc(N2CCN(C(=O)c3cccc(N4CC[NH2+][C@@H](c5ccccc5)C4)n3)CC2)cc1 ZINC000065256318 569123152 /nfs/dbraw/zinc/12/31/52/569123152.db2.gz SJVFGUWSPRXLMR-RUZDIDTESA-N 1 0 441.579 3.503 50 0 IHAARO CCN(CC)C(=O)c1cc2c(s1)CC[C@@H](C(=O)N1CC[NH+](C3CCCCC3)CC1)C2 ZINC000065272689 569129123 /nfs/dbraw/zinc/12/91/23/569129123.db2.gz JWQGYTVRYISIIY-GOSISDBHSA-N 1 0 431.646 3.812 50 0 IHAARO COc1ccc(CNC(=O)Nc2ccc3nc(N4CC[NH+](C)CC4)cc(C)c3c2)cc1OC ZINC000036709093 569136138 /nfs/dbraw/zinc/13/61/38/569136138.db2.gz MZQWEGAZBNQFSP-UHFFFAOYSA-N 1 0 449.555 3.634 50 0 IHAARO CC[C@@H]1C[N@H+](CC(C)(C)O)[C@H](CC)CN1C(=O)c1cccc(Cn2nc(C)cc2C)c1 ZINC000170606129 569143885 /nfs/dbraw/zinc/14/38/85/569143885.db2.gz UBLUOPBACAMGHG-DHIUTWEWSA-N 1 0 426.605 3.634 50 0 IHAARO C[NH+]1CCN(c2nc3nn(Cc4ccccc4)c(N)c3c(-c3ccc(Cl)cc3)n2)CC1 ZINC000037358041 569175814 /nfs/dbraw/zinc/17/58/14/569175814.db2.gz DXJBQVUWVJJWJO-UHFFFAOYSA-N 1 0 433.947 3.529 50 0 IHAARO C[C@H]1CC[C@@H]2[N@@H+](C[C@@H]3[C@@H]4C[C@@H]5[C@H](CC(=O)[C@@H]6C[C@@H](O)CC[C@]56C)[C@@H]4CC[C@H]3[C@@]2(C)O)C1 ZINC000252441162 569183680 /nfs/dbraw/zinc/18/36/80/569183680.db2.gz IQDIERHFZVCNRZ-OHXRZXLRSA-N 1 0 429.645 3.886 50 0 IHAARO CN(C)S(=O)(=O)c1ccc(-c2csc(=Nc3ccccc3)n2CCC[NH+](C)C)cc1 ZINC000252477932 569186025 /nfs/dbraw/zinc/18/60/25/569186025.db2.gz XZMNTKSGZLQXDB-UHFFFAOYSA-N 1 0 444.626 3.651 50 0 IHAARO CC(C)CN1CC[NH+]([C@H]2CCOC3(CCN(C(=O)c4c[nH]c5ccccc45)CC3)C2)CC1 ZINC000581820210 569211750 /nfs/dbraw/zinc/21/17/50/569211750.db2.gz YBRXZRBZHMZGSK-NRFANRHFSA-N 1 0 438.616 3.595 50 0 IHAARO C[C@H]([NH2+][C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000253417260 569266501 /nfs/dbraw/zinc/26/65/01/569266501.db2.gz BDHHDZHTZOLZIQ-BFDCFGGLSA-N 1 0 431.577 3.639 50 0 IHAARO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(CC[NH+]3CCCCCC3)C(C)C)CC2)cc1 ZINC000253419971 569266743 /nfs/dbraw/zinc/26/67/43/569266743.db2.gz GMXZAAKHTBRPMU-UHFFFAOYSA-N 1 0 449.661 3.509 50 0 IHAARO O=C(NCCC[NH+]1CCCCC1)C1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 ZINC000078714435 569318501 /nfs/dbraw/zinc/31/85/01/569318501.db2.gz MAWGFYWLAKLVQY-UHFFFAOYSA-N 1 0 432.008 3.602 50 0 IHAARO Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000078998573 569321747 /nfs/dbraw/zinc/32/17/47/569321747.db2.gz UFKHFQCOAFQVFB-HXUWFJFHSA-N 1 0 441.428 3.892 50 0 IHAARO CCNC(=O)C1([NH2+]CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)CCCCC1 ZINC000079023301 569322601 /nfs/dbraw/zinc/32/26/01/569322601.db2.gz KPVGSTSNUIGLFH-QGZVFWFLSA-N 1 0 444.626 3.916 50 0 IHAARO O=C(CSc1nc2ccccc2nc1N1CCCCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000020069407 569333289 /nfs/dbraw/zinc/33/32/89/569333289.db2.gz ZBWRIANFCSUBPC-UHFFFAOYSA-N 1 0 439.629 3.799 50 0 IHAARO O=C(CCNc1ncc(C(F)(F)F)cc1Cl)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000095459336 569369433 /nfs/dbraw/zinc/36/94/33/569369433.db2.gz UFIVWGLYEXGPCI-UHFFFAOYSA-N 1 0 441.885 3.984 50 0 IHAARO CC[C@H]([NH2+]CC(=O)N(Cc1ccccc1)c1ccccc1)c1cccc(S(N)(=O)=O)c1 ZINC000095462597 569370076 /nfs/dbraw/zinc/37/00/76/569370076.db2.gz RIOCCWZQNOPFOE-QHCPKHFHSA-N 1 0 437.565 3.608 50 0 IHAARO Cc1nc(COc2cccc(C(=O)N3CCC(CCC[NH+]4CCOCC4)CC3)c2)cs1 ZINC000095468526 569371381 /nfs/dbraw/zinc/37/13/81/569371381.db2.gz WITWGPOHHIZQDY-UHFFFAOYSA-N 1 0 443.613 3.995 50 0 IHAARO O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](CCc2ccc3c(c2)OCCO3)C1 ZINC000096007811 569379432 /nfs/dbraw/zinc/37/94/32/569379432.db2.gz UXIRVLKDQSZNIU-MRXNPFEDSA-N 1 0 446.345 3.509 50 0 IHAARO O=C(NCc1nn(CC[NH+]2CCCC2)c(=O)c2ccccc12)c1ccc(Cl)cc1Cl ZINC000096024216 569380486 /nfs/dbraw/zinc/38/04/86/569380486.db2.gz HBHATQWOGVFUDM-UHFFFAOYSA-N 1 0 445.350 3.729 50 0 IHAARO O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc2[nH]cc(C[NH+]3CCSCC3)c21 ZINC000096363704 569397700 /nfs/dbraw/zinc/39/77/00/569397700.db2.gz QHDOGDIPDLDHMY-UHFFFAOYSA-N 1 0 436.581 3.806 50 0 IHAARO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)/C=C\c2ccc3c(c2)OCO3)CC1 ZINC000096402644 569400496 /nfs/dbraw/zinc/40/04/96/569400496.db2.gz WUXGMAPRIXVLEN-VWTAQGJOSA-N 1 0 425.504 3.587 50 0 IHAARO O=C(/C=C\c1ccccc1)N1CCC(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000096578939 569401511 /nfs/dbraw/zinc/40/15/11/569401511.db2.gz OYWGSKNWCALNBB-YRBAHSOBSA-N 1 0 437.609 3.953 50 0 IHAARO COc1ccc(S(=O)(=O)N2CCC([N@@H+]3CCc4sccc4C3)CC2)cc1Cl ZINC000225690161 569407082 /nfs/dbraw/zinc/40/70/82/569407082.db2.gz ZUWNTRCKAAUUOQ-UHFFFAOYSA-N 1 0 426.991 3.622 50 0 IHAARO CN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1ccccc1-n1cnc2ccccc2c1=O ZINC000299754354 569409043 /nfs/dbraw/zinc/40/90/43/569409043.db2.gz CITZPTFMUNOEFX-XXBNENTESA-N 1 0 430.552 3.722 50 0 biogenic IHAARO Cc1c(O)ccc2c(C)c(CCC(=O)N(C)C[C@H]3CCC[N@@H+]4CCCC[C@H]34)c(=O)oc12 ZINC000299754465 569409102 /nfs/dbraw/zinc/40/91/02/569409102.db2.gz RPJDHOMFOULMDT-WIYYLYMNSA-N 1 0 426.557 3.771 50 0 biogenic IHAARO CCCC[N@H+](CC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000230066610 569419846 /nfs/dbraw/zinc/41/98/46/569419846.db2.gz FIBQMZRWOABZQK-ZEQRLZLVSA-N 1 0 437.584 3.844 50 0 IHAARO C[C@H]1C[NH+](CCCNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)C[C@H](C)O1 ZINC000029981462 569439974 /nfs/dbraw/zinc/43/99/74/569439974.db2.gz WGAWOMNNSSMRSY-SFTDATJTSA-N 1 0 432.568 3.828 50 0 IHAARO CCC1CCC([N@H+](C)CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)CC1 ZINC000058009020 569444736 /nfs/dbraw/zinc/44/47/36/569444736.db2.gz ATSPFENKSBUWCF-UHFFFAOYSA-N 1 0 447.645 3.651 50 0 IHAARO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2csc(-c3ccc(O)cc3)n2)CC1 ZINC000058305187 569452794 /nfs/dbraw/zinc/45/27/94/569452794.db2.gz GHFCITFBLHGVEX-UHFFFAOYSA-N 1 0 436.581 3.583 50 0 IHAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCN(C(=O)c4ccc(C)cc4)C3)CC2)cc1 ZINC000031225725 569454943 /nfs/dbraw/zinc/45/49/43/569454943.db2.gz BSRMBHQAFTZDNT-RUZDIDTESA-N 1 0 433.596 3.890 50 0 IHAARO COc1ccc([C@H]2[C@@H](C(=O)NCCC[NH+]3CCC(C)CC3)c3ccccc3C(=O)N2C)cc1 ZINC000003657951 569455865 /nfs/dbraw/zinc/45/58/65/569455865.db2.gz QUZIZVIOMDBHGG-DQEYMECFSA-N 1 0 449.595 3.844 50 0 IHAARO CCC[NH+](CCC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000003657959 569455873 /nfs/dbraw/zinc/45/58/73/569455873.db2.gz CTSZZQADUBGVIN-BJKOFHAPSA-N 1 0 437.584 3.844 50 0 IHAARO COc1cc(C[NH2+][C@@H]2CCN(c3ccc(C(=O)Nc4ccc(F)cc4)cn3)C2)ccc1O ZINC000067246290 569465992 /nfs/dbraw/zinc/46/59/92/569465992.db2.gz KHKXYTFFTJBMEP-HXUWFJFHSA-N 1 0 436.487 3.556 50 0 IHAARO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc2ccccc2o1 ZINC000008734777 569472608 /nfs/dbraw/zinc/47/26/08/569472608.db2.gz HRTKOYMCWMHMPW-SJORKVTESA-N 1 0 441.553 3.895 50 0 IHAARO CC(C)[C@@H]([NH2+]CC(=O)N1CCN(Cc2cccs2)CC1)c1ccc2c(c1)OCCCO2 ZINC000008747856 569473174 /nfs/dbraw/zinc/47/31/74/569473174.db2.gz FERHEOMQNHOSMA-XMMPIXPASA-N 1 0 443.613 3.541 50 0 IHAARO CC(C)[C@H](CNC(=O)CSc1nncn1-c1cccc(Cl)c1)[NH+]1CCC(C)CC1 ZINC000040107984 569488510 /nfs/dbraw/zinc/48/85/10/569488510.db2.gz CFRWTKXCSBKMJA-IBGZPJMESA-N 1 0 436.025 3.886 50 0 IHAARO C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ccsc1 ZINC000040120907 569489473 /nfs/dbraw/zinc/48/94/73/569489473.db2.gz PATDIKZLVLUMPJ-WMZOPIPTSA-N 1 0 439.503 3.535 50 0 IHAARO COc1ccc([C@H](CNC(=O)c2nc(N3CCCC3)ncc2Cl)[NH+]2CCCCC2)cc1 ZINC000040140860 569491596 /nfs/dbraw/zinc/49/15/96/569491596.db2.gz BSSCDHQPSUIFSX-FQEVSTJZSA-N 1 0 443.979 3.696 50 0 IHAARO C[C@@H](CNC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)C[NH+]1CCCCC1 ZINC000040157533 569494284 /nfs/dbraw/zinc/49/42/84/569494284.db2.gz ZQGRVIBRTJOMRZ-SUMWQHHRSA-N 1 0 429.508 3.747 50 0 IHAARO CC[NH+]1CCN(c2ccccc2NC(=O)CCCNC(=O)c2ccc(Cl)cc2)CC1 ZINC000040162204 569495220 /nfs/dbraw/zinc/49/52/20/569495220.db2.gz BQMVMRSIEYZYJD-UHFFFAOYSA-N 1 0 428.964 3.631 50 0 IHAARO Cc1ccc([C@H](NC(=O)CN2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c2cccs2)cc1 ZINC000245225231 569499511 /nfs/dbraw/zinc/49/95/11/569499511.db2.gz PXZFBPRVZMVVDZ-JBAWTIAASA-N 1 0 441.641 3.836 50 0 IHAARO O=C(NCC[NH+]1CCCCC1)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000040355769 569499767 /nfs/dbraw/zinc/49/97/67/569499767.db2.gz BYRJTTQPNGMNGU-UHFFFAOYSA-N 1 0 427.357 3.918 50 0 IHAARO C[N@@H+]1CCC[C@H]1CCNC(=O)c1csc(NC(=O)c2ccccc2C(F)(F)F)n1 ZINC000040355942 569499883 /nfs/dbraw/zinc/49/98/83/569499883.db2.gz IHFXEAWEIYDXOI-LBPRGKRZSA-N 1 0 426.464 3.628 50 0 IHAARO O=C(NCCC[NH+]1CCCC1)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000040355829 569499900 /nfs/dbraw/zinc/49/99/00/569499900.db2.gz AGZKGDQXMSJMGS-UHFFFAOYSA-N 1 0 427.357 3.918 50 0 IHAARO CCC[C@H](O)C[N@H+](CC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC ZINC000245281344 569502139 /nfs/dbraw/zinc/50/21/39/569502139.db2.gz XKQXBFCDSGDCQY-AZUAARDMSA-N 1 0 446.613 3.744 50 0 IHAARO C[NH+](C)[C@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cccc(F)c1 ZINC000069366567 569502503 /nfs/dbraw/zinc/50/25/03/569502503.db2.gz DJSOGJVFSWXGMX-DNVCBOLYSA-N 1 0 437.437 3.617 50 0 IHAARO C[NH+](C)CCCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2c(cccc2F)s1 ZINC000009151919 569507667 /nfs/dbraw/zinc/50/76/67/569507667.db2.gz BMIHWQYCYGMRGA-UHFFFAOYSA-N 1 0 449.573 3.584 50 0 IHAARO CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000009269134 569517551 /nfs/dbraw/zinc/51/75/51/569517551.db2.gz PPMYNXVIOJSTNN-UHFFFAOYSA-N 1 0 439.581 3.939 50 0 IHAARO CCCOc1ccc([C@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CC[NH+](C)C)cc1 ZINC000009328362 569522885 /nfs/dbraw/zinc/52/28/85/569522885.db2.gz ZYTXREJSXFJXLQ-QFIPXVFZSA-N 1 0 436.508 3.697 50 0 IHAARO Cc1ccc(C)c(-n2nnnc2SCC(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000009515151 569543313 /nfs/dbraw/zinc/54/33/13/569543313.db2.gz QYJAKDZLBOHPKM-UHFFFAOYSA-N 1 0 442.633 3.676 50 0 IHAARO COC(=O)c1c(NC(=O)Cc2ccc3c(c2)OCO3)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000009520934 569544420 /nfs/dbraw/zinc/54/44/20/569544420.db2.gz UUYAGFWBCPEWLL-UHFFFAOYSA-N 1 0 430.526 3.604 50 0 IHAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1nn(-c2ccccc2OC)c(=O)c2ccccc21 ZINC000009543663 569545965 /nfs/dbraw/zinc/54/59/65/569545965.db2.gz ZWHPBOGAXNSMFV-IBGZPJMESA-N 1 0 448.567 3.779 50 0 IHAARO CCC[NH+](CCC)CCCNC(=O)c1cn(CC(C)C)c(=O)c2cc(OC)c(OC)cc12 ZINC000009673390 569558910 /nfs/dbraw/zinc/55/89/10/569558910.db2.gz ZHZDAHDPDZCANY-UHFFFAOYSA-N 1 0 445.604 3.917 50 0 IHAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)Cn3c(=O)oc4cc(Cl)ccc43)CC2)c1 ZINC000009688590 569560840 /nfs/dbraw/zinc/56/08/40/569560840.db2.gz SJLUVFIKHJCHIC-UHFFFAOYSA-N 1 0 441.959 3.893 50 0 IHAARO CCOc1ccc([C@@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000010233223 569579580 /nfs/dbraw/zinc/57/95/80/569579580.db2.gz BSMIBAVMENUODS-JOCHJYFZSA-N 1 0 436.508 3.697 50 0 IHAARO Cn1cc([C@@H](CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)[NH+](C)C)c2ccccc21 ZINC000077171695 569585799 /nfs/dbraw/zinc/58/57/99/569585799.db2.gz WGVMRPOIJFCWOK-LJQANCHMSA-N 1 0 441.475 3.658 50 0 IHAARO FC(F)(F)COc1nc(N(c2ccccc2)c2ccccc2)nc(N2CC[NH2+]CC2)n1 ZINC000008435316 132281947 /nfs/dbraw/zinc/28/19/47/132281947.db2.gz GVARBTZTWONXQT-UHFFFAOYSA-N 1 0 430.434 3.692 50 0 IHAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc(Br)cc2)CC1 ZINC000009703918 132326581 /nfs/dbraw/zinc/32/65/81/132326581.db2.gz QPJCKTSYOVMLOI-UHFFFAOYSA-N 1 0 438.753 3.872 50 0 IHAARO COc1ccccc1N1CC[NH+](CCC(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000009933521 132331883 /nfs/dbraw/zinc/33/18/83/132331883.db2.gz CJKYQHIVFJTXOD-UHFFFAOYSA-N 1 0 432.362 3.917 50 0 IHAARO CCOc1cc(CNC(=O)[C@@H]2CCCN(c3cc[nH+]cc3)C2)cc(OCC)c1OCC ZINC000033128807 517722500 /nfs/dbraw/zinc/72/25/00/517722500.db2.gz LNWQTXHZCUSMBN-LJQANCHMSA-N 1 0 427.545 3.811 50 0 IHAARO CCCC[N@H+](CCCNC(=O)CN1c2ccccc2O[C@@H](CC)C1=O)Cc1ccccc1 ZINC000020687463 520500597 /nfs/dbraw/zinc/50/05/97/520500597.db2.gz UMSBJLUNIMIUSX-QHCPKHFHSA-N 1 0 437.584 3.999 50 0 IHAARO CCOC(=O)C1CCN(c2nc3c(OC)ccc(OC)c3cc2C[NH2+]CC(C)C)CC1 ZINC000012244219 520586994 /nfs/dbraw/zinc/58/69/94/520586994.db2.gz VKXFOFOITNMIMN-UHFFFAOYSA-N 1 0 429.561 3.777 50 0 IHAARO CCOC(=O)N1CCC(NC(=O)[C@@H]2CC23CC[NH+](CC[C@@H](C)c2ccc(C)o2)CC3)CC1 ZINC000014888959 520927125 /nfs/dbraw/zinc/92/71/25/520927125.db2.gz KMAWVUVNRLVUOA-NQIIRXRSSA-N 1 0 445.604 3.921 50 0 IHAARO CCOc1ccc2nc(N3CCC[C@H]([NH+]4CCC(OCCOC)CC4)CC3)nc(C)c2c1 ZINC000011880723 521302971 /nfs/dbraw/zinc/30/29/71/521302971.db2.gz INCLOWNXKKQPMX-FQEVSTJZSA-N 1 0 442.604 3.823 50 0 IHAARO CCOC(=O)[C@]1(CCc2ccccc2)CCC[N@H+](Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000012581150 521353696 /nfs/dbraw/zinc/35/36/96/521353696.db2.gz DSFVTXRNXYHMOT-SANMLTNESA-N 1 0 435.568 3.994 50 0 IHAARO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H](CC(C)C)[NH2+][C@]23C(=O)Nc2ccc(C)cc23)cc1 ZINC000012889998 521513012 /nfs/dbraw/zinc/51/30/12/521513012.db2.gz VORDSJCBYIFJSS-UTAZYMRLSA-N 1 0 449.551 3.982 50 0 biogenic IHAARO CC[NH+]1CCN(CCNC(=O)c2cc(-c3ccccc3)c(N3CCCCC3)s2)CC1 ZINC000020597670 521682720 /nfs/dbraw/zinc/68/27/20/521682720.db2.gz ZEZBUSXOZQEJGD-UHFFFAOYSA-N 1 0 426.630 3.773 50 0 IHAARO COc1c2c(cc(C[C@H]3CC(C[NH2+]CCc4ccc(Cl)cc4)=NO3)c1OC)OCO2 ZINC000012418039 521884113 /nfs/dbraw/zinc/88/41/13/521884113.db2.gz FHDFOOLEZAEVSE-SFHVURJKSA-N 1 0 432.904 3.606 50 0 IHAARO COC(=O)c1csc(N2[NH2+]C3=C(C[C@@H](c4ccccc4)CC3)[C@@]2(O)C(F)(F)F)n1 ZINC000016957527 522378144 /nfs/dbraw/zinc/37/81/44/522378144.db2.gz CRGDPZWFEPSJKV-ZJNRKIDTSA-N 1 0 425.432 3.941 50 0 IHAARO CC[C@H]([NH2+]CC(=O)Nc1ccccc1N1CCOCC1)c1ccc(Br)cc1 ZINC000012555194 522566975 /nfs/dbraw/zinc/56/69/75/522566975.db2.gz VXMKRJJJQOLCNT-SFHVURJKSA-N 1 0 432.362 3.965 50 0 IHAARO COCCC(=O)N[C@H](C)c1nnc2n1CC[N@@H+](Cc1cccc(-c3ccccc3C)c1)CC2 ZINC000020598962 522955685 /nfs/dbraw/zinc/95/56/85/522955685.db2.gz OWHDTLWBFYGUGC-HXUWFJFHSA-N 1 0 447.583 3.526 50 0 IHAARO COCc1ccc(C[NH+]2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)o1 ZINC000012297527 522972610 /nfs/dbraw/zinc/97/26/10/522972610.db2.gz BOGZMNHNXHPHQP-UHFFFAOYSA-N 1 0 438.528 3.867 50 0 IHAARO COc1ccc(-c2cc(=O)oc3c(C)c(O[C@H](C)C(=O)NCCC[NH+](C)C)ccc23)cc1 ZINC000012886221 523089067 /nfs/dbraw/zinc/08/90/67/523089067.db2.gz WOTSMTODWCSEFI-QGZVFWFLSA-N 1 0 438.524 3.612 50 0 biogenic IHAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H]([NH2+]CCc1cccc(Cl)c1)CC2 ZINC000014746902 523435175 /nfs/dbraw/zinc/43/51/75/523435175.db2.gz RSYALYNUHAWARY-GOSISDBHSA-N 1 0 426.948 3.628 50 0 IHAARO CCn1ncc(C[N@@H+]2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)c1C ZINC000012455805 523691480 /nfs/dbraw/zinc/69/14/80/523691480.db2.gz SJGKQGVLANVULV-IBGZPJMESA-N 1 0 428.577 3.537 50 0 IHAARO CO[C@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2ccc3nonc3c2)CC1)c1ccccc1 ZINC000012577014 523834144 /nfs/dbraw/zinc/83/41/44/523834144.db2.gz IYPADUNBLAJCPZ-QHCPKHFHSA-N 1 0 446.511 3.583 50 0 IHAARO C[NH+]1CCN(c2ccc(NC(=O)c3nn(-c4ccc(F)cc4)c4c3CCCC4)cc2)CC1 ZINC000022460532 523928237 /nfs/dbraw/zinc/92/82/37/523928237.db2.gz JXEMZCCNNDJFEZ-UHFFFAOYSA-N 1 0 433.531 3.894 50 0 IHAARO Cc1cccc(-n2ccnc2CN2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c1 ZINC000012307276 524145023 /nfs/dbraw/zinc/14/50/23/524145023.db2.gz HASHDAHYTBHTLJ-JOCHJYFZSA-N 1 0 437.632 3.726 50 0 IHAARO COc1ccc(Cl)cc1C(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000020860684 524199389 /nfs/dbraw/zinc/19/93/89/524199389.db2.gz YSEJPAZSUAVCGF-QGZVFWFLSA-N 1 0 427.932 3.973 50 0 IHAARO C[C@H](CNC(=O)c1ccncc1)Oc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000012207229 524470732 /nfs/dbraw/zinc/47/07/32/524470732.db2.gz NWSBPOMQJIXBCM-OAQYLSRUSA-N 1 0 430.552 3.601 50 0 IHAARO COc1ccc(NC(=O)[C@H]2C[C@H](Cc3ccccc3)[NH2+][C@]23C(=O)Nc2ccccc23)cc1 ZINC000035365933 524618192 /nfs/dbraw/zinc/61/81/92/524618192.db2.gz GAPVBHBNQIVAFM-WSNOQYBDSA-N 1 0 427.504 3.702 50 0 biogenic IHAARO COc1ccccc1OCC(=O)NC[C@@H]1CCC[N@H+](Cc2c[nH]nc2C2CCCCC2)C1 ZINC000012317648 524661829 /nfs/dbraw/zinc/66/18/29/524661829.db2.gz AUMCAURRWMBFNQ-IBGZPJMESA-N 1 0 440.588 3.873 50 0 IHAARO C[C@H](Cc1cnccn1)[NH2+]Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21 ZINC000020917168 524766356 /nfs/dbraw/zinc/76/63/56/524766356.db2.gz KFZVXUHBUIBHMQ-QGZVFWFLSA-N 1 0 440.979 3.905 50 0 IHAARO Cc1ccc(NC(=O)CSCC(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)cc1 ZINC000012545724 525075243 /nfs/dbraw/zinc/07/52/43/525075243.db2.gz BTQHUHFEHGAYQK-UHFFFAOYSA-N 1 0 447.004 3.711 50 0 IHAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)Nc3ccc4c(c3)OCCO4)cc12 ZINC000020574560 525076643 /nfs/dbraw/zinc/07/66/43/525076643.db2.gz MABDQDSUBVZKPL-UHFFFAOYSA-N 1 0 433.512 3.710 50 0 IHAARO C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@@H+](Cc1cc3ccccc3o1)CC2 ZINC000020911272 525092690 /nfs/dbraw/zinc/09/26/90/525092690.db2.gz NDCZFCSYQIBNFF-LJQANCHMSA-N 1 0 443.551 3.893 50 0 IHAARO Cc1cc(NC(=O)COc2cccc(Oc3ccccn3)c2)ccc1N1CC[NH+](C)CC1 ZINC000012522596 525152081 /nfs/dbraw/zinc/15/20/81/525152081.db2.gz KFRHBCIQOHGQTJ-UHFFFAOYSA-N 1 0 432.524 3.952 50 0 IHAARO COc1ccc([C@@H](CNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)[NH+]2CCCC2)cc1 ZINC000022505293 525185343 /nfs/dbraw/zinc/18/53/43/525185343.db2.gz PATIKANYTSWRAU-JOCHJYFZSA-N 1 0 435.572 3.976 50 0 IHAARO Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCC(C)(C)[NH+]2CCCCC2)cc1 ZINC000012541861 525270779 /nfs/dbraw/zinc/27/07/79/525270779.db2.gz FGUUBZZWIVWHLD-UHFFFAOYSA-N 1 0 429.586 3.790 50 0 IHAARO COc1ccc([C@H](C[NH2+]CC(=O)Nc2ccccc2-c2ccccc2)N2CCOCC2)cc1 ZINC000022038440 525359007 /nfs/dbraw/zinc/35/90/07/525359007.db2.gz GSBINIZEDSGDPP-SANMLTNESA-N 1 0 445.563 3.964 50 0 IHAARO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000012684075 525408995 /nfs/dbraw/zinc/40/89/95/525408995.db2.gz KJFKYJWMAAIVEH-OAQYLSRUSA-N 1 0 441.597 3.658 50 0 IHAARO C[C@@]1(C(=O)NC2CCCCCC2)Cn2c3ccoc3cc2C(=O)N1CCC[NH+]1CCCC1 ZINC000021811815 525793678 /nfs/dbraw/zinc/79/36/78/525793678.db2.gz KVQDZFKQGXYIEA-VWLOTQADSA-N 1 0 440.588 3.774 50 0 IHAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)O1)[C@@H]1CCCO1 ZINC000014879159 526502511 /nfs/dbraw/zinc/50/25/11/526502511.db2.gz MZBDLDWGPWRXOH-OALUTQOASA-N 1 0 426.479 3.514 50 0 IHAARO O=C(NCc1ccccn1)C1CC[NH+](C2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC000012435154 526761196 /nfs/dbraw/zinc/76/11/96/526761196.db2.gz HIKDXLJCVXNTAX-UHFFFAOYSA-N 1 0 426.992 3.728 50 0 IHAARO O=S(=O)(N[C@@H]1CCCC[C@@H]1N1CC[NH+](C2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000020441716 527236785 /nfs/dbraw/zinc/23/67/85/527236785.db2.gz KSXFVFBADVPBKS-YADHBBJMSA-N 1 0 440.053 3.880 50 0 IHAARO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000012584013 527318198 /nfs/dbraw/zinc/31/81/98/527318198.db2.gz KECQZCQJOWNRKH-NRFANRHFSA-N 1 0 426.524 3.909 50 0 IHAARO O=c1c2c(ncn1C1Cc3ccccc3C1)sc1c2CC[C@@H]([NH2+]CCc2cccnc2)C1 ZINC000012217519 527455699 /nfs/dbraw/zinc/45/56/99/527455699.db2.gz MPSOFFFFJDSBLP-HXUWFJFHSA-N 1 0 442.588 3.883 50 0 IHAARO Cn1ncc2c1nc(N1CC[NH+](Cc3ccccc3)CC1)nc2NCc1ccc(Cl)cc1 ZINC000021929240 527581448 /nfs/dbraw/zinc/58/14/48/527581448.db2.gz MFEWPDSPQWBSSS-UHFFFAOYSA-N 1 0 447.974 3.951 50 0 IHAARO O[C@@H](CSc1ccc(Br)cc1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020385136 527663229 /nfs/dbraw/zinc/66/32/29/527663229.db2.gz XAYBQMQZNGGYMG-GOSISDBHSA-N 1 0 425.367 3.863 50 0 IHAARO Cc1nn(C)c(Cl)c1CN(Cc1ccncc1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000012448346 527665650 /nfs/dbraw/zinc/66/56/50/527665650.db2.gz ZASBXFDEKKEZKD-UHFFFAOYSA-N 1 0 445.055 3.585 50 0 IHAARO CCCCCn1nc(C(=O)Nc2ccccc2N2CC[NH+](CC)CC2)c2ccccc2c1=O ZINC000009672496 535161401 /nfs/dbraw/zinc/16/14/01/535161401.db2.gz CSLHLLIRMQQDSM-UHFFFAOYSA-N 1 0 447.583 3.981 50 0 IHAARO CC[NH+](CC)CCNC(=O)CCC(=O)Nc1ccc2nc(N3CCCCC3)cc(C)c2c1 ZINC000009597993 535528757 /nfs/dbraw/zinc/52/87/57/535528757.db2.gz RJQDSLTXZQTECN-UHFFFAOYSA-N 1 0 439.604 3.710 50 0 IHAARO CCC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@H]1C ZINC000034830501 555911726 /nfs/dbraw/zinc/91/17/26/555911726.db2.gz WSCHBVZXJZMYCN-OSPHWJPCSA-N 1 0 443.588 3.694 50 0 IHAARO CCCOc1ccc(N2C(=O)C[C@@H]([NH2+]CCOC34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000004451488 556297133 /nfs/dbraw/zinc/29/71/33/556297133.db2.gz CDVAYEKBEIKJNT-VBSWXYJSSA-N 1 0 426.557 3.682 50 0 IHAARO COCCNC(=O)c1ccc(OC2CC[NH+](Cc3ccc(OC)cc3)CC2)c(Cl)c1 ZINC000011878364 556371023 /nfs/dbraw/zinc/37/10/23/556371023.db2.gz SPCSAYAKPQITAY-UHFFFAOYSA-N 1 0 432.948 3.768 50 0 IHAARO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000014118602 556371595 /nfs/dbraw/zinc/37/15/95/556371595.db2.gz LIJXFYIGMRQBPY-QWHCGFSZSA-N 1 0 444.384 3.922 50 0 IHAARO CC(=O)c1ccc(OCC(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3F)C2)cc1 ZINC000011934647 556377654 /nfs/dbraw/zinc/37/76/54/556377654.db2.gz XJFVIMYZMBHSND-HXUWFJFHSA-N 1 0 426.532 3.820 50 0 IHAARO CC(=O)c1cc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3cccc(C(F)(F)F)c3)C2)[nH]n1 ZINC000011936544 556378747 /nfs/dbraw/zinc/37/87/47/556378747.db2.gz YSQZDYXIHLELHJ-KRWDZBQOSA-N 1 0 436.478 3.658 50 0 IHAARO CC[C@@H](O)C1CCN(C(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)CC1 ZINC000011937124 556379118 /nfs/dbraw/zinc/37/91/18/556379118.db2.gz ANPWNWZIXYMHEQ-RUZDIDTESA-N 1 0 437.584 3.748 50 0 IHAARO COCCN(Cc1c(C)nn(C)c1Cl)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011951570 556380245 /nfs/dbraw/zinc/38/02/45/556380245.db2.gz VOUZHTZOEYEAJF-IBGZPJMESA-N 1 0 431.024 3.710 50 0 IHAARO CCN1C[C@H](C[N@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2F)CC1=O ZINC000012074913 556397224 /nfs/dbraw/zinc/39/72/24/556397224.db2.gz WFZADZDNSMVGPV-SFHVURJKSA-N 1 0 436.531 3.987 50 0 IHAARO CCc1cc2c(CN3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)cc(=O)oc2cc1O ZINC000014328678 556413296 /nfs/dbraw/zinc/41/32/96/556413296.db2.gz FFUCQNOHPGCZBY-UHFFFAOYSA-N 1 0 449.503 3.927 50 0 IHAARO CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000032674829 556415649 /nfs/dbraw/zinc/41/56/49/556415649.db2.gz DWTGYUIJOCFICN-FIKKOMSHSA-N 1 0 437.628 3.734 50 0 IHAARO Cn1nc(C(=O)NCc2ccncc2)c2c1CC[C@H]([NH+]1CCC(Cc3ccccc3)CC1)C2 ZINC000014531092 556420428 /nfs/dbraw/zinc/42/04/28/556420428.db2.gz WMAZGDUTTWYAQN-QHCPKHFHSA-N 1 0 443.595 3.557 50 0 IHAARO CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1ccccc1Cl)CC2 ZINC000014535111 556422718 /nfs/dbraw/zinc/42/27/18/556422718.db2.gz CNSBLHRNXJWFOP-UHFFFAOYSA-N 1 0 440.975 3.987 50 0 IHAARO COc1ccccc1CNC(=O)[C@@H]1C[C@H](COc2ccc(C)nc2)C[N@H+](CC(C)C)C1 ZINC000014542769 556426407 /nfs/dbraw/zinc/42/64/07/556426407.db2.gz GCDCIGKKLGLGSK-RBBKRZOGSA-N 1 0 425.573 3.688 50 0 IHAARO COc1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc(OC)c1Br ZINC000012986883 556427266 /nfs/dbraw/zinc/42/72/66/556427266.db2.gz BAXIXJKYBLBDSC-UHFFFAOYSA-N 1 0 433.346 3.992 50 0 IHAARO C[C@@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCC2(CC1)C(=O)N(C)C(=O)N2Cc1ccccc1 ZINC000014743611 556439771 /nfs/dbraw/zinc/43/97/71/556439771.db2.gz LYTIHONHMBMDAJ-IBGZPJMESA-N 1 0 449.551 3.523 50 0 IHAARO O=C1N(Cc2cccnc2)C(=O)C2(CC[NH+](Cc3ccco3)CC2)N1CCc1ccccc1 ZINC000014744812 556440342 /nfs/dbraw/zinc/44/03/42/556440342.db2.gz XCMIDUAMXDXSAI-UHFFFAOYSA-N 1 0 444.535 3.716 50 0 IHAARO COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CC[NH+]([C@@H](C)CSC)CC3)cc1 ZINC000014752579 556444085 /nfs/dbraw/zinc/44/40/85/556444085.db2.gz LXBMMYBYDKTINB-IBGZPJMESA-N 1 0 447.645 3.744 50 0 IHAARO CC(C)CCN1C(=O)N(CCCc2ccncc2)C(=O)C12CC[NH+](Cc1cccnc1)CC2 ZINC000014754122 556444364 /nfs/dbraw/zinc/44/43/64/556444364.db2.gz XICDDUXBTWCOGU-UHFFFAOYSA-N 1 0 449.599 3.754 50 0 IHAARO CC1=C(CC[N@H+]2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)C(C)(C)CCC1 ZINC000014879958 556453077 /nfs/dbraw/zinc/45/30/77/556453077.db2.gz MLFBBDASCIWBQS-UHFFFAOYSA-N 1 0 435.616 3.912 50 0 IHAARO O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000013117606 556470404 /nfs/dbraw/zinc/47/04/04/556470404.db2.gz AYOKSZVWFYHSOK-UHFFFAOYSA-N 1 0 443.547 3.990 50 0 IHAARO CC[C@H]1C[N@H+](CCC(=O)NCCCn2ncc3ccccc32)Cc2cc(OC)ccc2O1 ZINC000014987992 556473715 /nfs/dbraw/zinc/47/37/15/556473715.db2.gz MVRBAZTUOADQHH-NRFANRHFSA-N 1 0 436.556 3.615 50 0 IHAARO CC(=O)N1CCC[C@@H]1C(=O)N(Cc1ccc(OCCC(C)C)cc1)CC(C)(C)[NH+](C)C ZINC000072285176 556475684 /nfs/dbraw/zinc/47/56/84/556475684.db2.gz ZIWFJKUDCMEMIC-HSZRJFAPSA-N 1 0 431.621 3.791 50 0 IHAARO C[N@@H+]1CCCN(C(=O)c2cnn(-c3nccc(-c4cc5ccccc5o4)n3)c2C2CC2)CC1 ZINC000015001285 556479840 /nfs/dbraw/zinc/47/98/40/556479840.db2.gz FKEHTXKVHFZGAQ-UHFFFAOYSA-N 1 0 442.523 3.731 50 0 IHAARO CNC(=O)c1cc(NC(=O)N[C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)ccc1F ZINC000072289446 556485552 /nfs/dbraw/zinc/48/55/52/556485552.db2.gz FZCXPYRORYDQMW-NRFANRHFSA-N 1 0 426.536 3.780 50 0 IHAARO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000015072371 556497120 /nfs/dbraw/zinc/49/71/20/556497120.db2.gz FKSFCSVVQNGABO-UHFFFAOYSA-N 1 0 432.524 3.916 50 0 IHAARO Cc1cc(OCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2c3c(c(=O)oc2c1)CCC3 ZINC000013556985 556516867 /nfs/dbraw/zinc/51/68/67/556516867.db2.gz ODOSSGAVRIZKRR-UHFFFAOYSA-N 1 0 446.547 3.750 50 0 IHAARO O=S(=O)(CC[NH+]1CCC(c2nc(-c3ccc(F)c(F)c3)c[nH]2)CC1)Oc1ccccc1 ZINC000072308280 556565869 /nfs/dbraw/zinc/56/58/69/556565869.db2.gz LECWZIXZQZDYBF-UHFFFAOYSA-N 1 0 447.507 3.943 50 0 IHAARO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)C1 ZINC000072308812 556567413 /nfs/dbraw/zinc/56/74/13/556567413.db2.gz BGAQNOVJXGSBAY-IBGZPJMESA-N 1 0 443.613 3.716 50 0 IHAARO Cc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCC[N@@H+](C)C3CCCCC3)CC2)cc1 ZINC000032974004 556596044 /nfs/dbraw/zinc/59/60/44/556596044.db2.gz MIJYYXVPWVMJDA-UHFFFAOYSA-N 1 0 449.661 3.557 50 0 IHAARO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)cc1 ZINC000060307171 556657100 /nfs/dbraw/zinc/65/71/00/556657100.db2.gz QLKAUKUWOCGBHK-UHFFFAOYSA-N 1 0 425.598 3.899 50 0 IHAARO COc1ccc([C@@H](CNC(=O)C[N@H+](C[C@@H]2CCOC2)C2CC2)c2c[nH]c3ccccc32)cc1 ZINC000032935632 556678467 /nfs/dbraw/zinc/67/84/67/556678467.db2.gz LIOZTIFAUAGVBI-YADARESESA-N 1 0 447.579 3.926 50 0 IHAARO CCc1nnc(C(=O)Nc2cccc(C(=O)NCCC[N@H+](C)Cc3ccccc3)c2)s1 ZINC000033022448 556687040 /nfs/dbraw/zinc/68/70/40/556687040.db2.gz NQMLYBMDZAQHCM-UHFFFAOYSA-N 1 0 437.569 3.605 50 0 IHAARO CCC[N@H+](CC(=O)Nc1cccc(I)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000252679845 556694121 /nfs/dbraw/zinc/69/41/21/556694121.db2.gz SAZXOMCXQUIHQK-KBAYOESNSA-N 1 0 442.341 3.755 50 0 IHAARO C[N@H+](CCCNC(=O)CCCn1c(=O)c2cccn2c2ccc(F)cc21)Cc1ccccc1 ZINC000033031742 556711483 /nfs/dbraw/zinc/71/14/83/556711483.db2.gz ZFQGCSJOFINLBP-UHFFFAOYSA-N 1 0 448.542 3.812 50 0 IHAARO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000060344700 556714389 /nfs/dbraw/zinc/71/43/89/556714389.db2.gz OESQMMCLPXGYFI-UHFFFAOYSA-N 1 0 440.588 3.622 50 0 IHAARO CC(C)c1ccc(NC(=O)CSc2nc(=O)n(CC[NH+](C)C)c3c2CCCC3)cc1 ZINC000005254488 556747316 /nfs/dbraw/zinc/74/73/16/556747316.db2.gz MBQZGSLGMPEDSO-UHFFFAOYSA-N 1 0 428.602 3.538 50 0 IHAARO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H]2CCC[N@@H+]2[C@]12C(=O)Nc1ccc(C)cc12 ZINC000061999531 556764142 /nfs/dbraw/zinc/76/41/42/556764142.db2.gz RAWQGBKYACVZPD-JCEJCQQGSA-N 1 0 425.916 3.927 50 0 biogenic IHAARO CCCN(C(=O)Nc1cccc(-c2nnnn2C)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058201651 556771136 /nfs/dbraw/zinc/77/11/36/556771136.db2.gz BVYPQXSFPUOYLP-QFIPXVFZSA-N 1 0 433.560 3.786 50 0 IHAARO COc1ccc(C)cc1NCCC(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000058441572 556789112 /nfs/dbraw/zinc/78/91/12/556789112.db2.gz RPJVGHXYTRSGKW-UHFFFAOYSA-N 1 0 438.616 3.833 50 0 IHAARO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H]2CCC[N@@H+]2[C@]12C(=O)Nc1c2cccc1C ZINC000061999540 556812559 /nfs/dbraw/zinc/81/25/59/556812559.db2.gz QQTXTBPHXIPFDY-JCEJCQQGSA-N 1 0 425.916 3.927 50 0 biogenic IHAARO Cc1ccccc1C[NH+]1CCN(c2cccc3c2C(=O)N(Cc2nccs2)C3=O)CC1 ZINC000064137263 556822825 /nfs/dbraw/zinc/82/28/25/556822825.db2.gz GJQPPCUVDNSTDN-UHFFFAOYSA-N 1 0 432.549 3.570 50 0 IHAARO Cc1nn(C)cc1CNC(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000067641458 556845388 /nfs/dbraw/zinc/84/53/88/556845388.db2.gz PIEWTZHLUZWSSD-UHFFFAOYSA-N 1 0 432.568 3.744 50 0 IHAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000033131371 556871921 /nfs/dbraw/zinc/87/19/21/556871921.db2.gz NIDFICOJYVYZAZ-KRWDZBQOSA-N 1 0 442.025 3.509 50 0 IHAARO O=C(CC1CCN(C(=O)C2CCCCC2)CC1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000033254699 556891064 /nfs/dbraw/zinc/89/10/64/556891064.db2.gz DXSJQRCLVFJQIO-UHFFFAOYSA-N 1 0 425.617 3.760 50 0 IHAARO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3cccc(-n4cccn4)c3)C2)CC1 ZINC000019837432 556928216 /nfs/dbraw/zinc/92/82/16/556928216.db2.gz AZWGTWNJOKAOTG-XMMPIXPASA-N 1 0 431.584 3.668 50 0 IHAARO COc1ccc2nc(N3CCC[C@H](C(=O)NCCC[N@@H+]4CCC[C@@H](C)C4)C3)sc2c1 ZINC000020113937 556987022 /nfs/dbraw/zinc/98/70/22/556987022.db2.gz VPAFHNCLEOHSTH-MSOLQXFVSA-N 1 0 430.618 3.760 50 0 IHAARO COCc1cc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)ccc1OC ZINC000020117815 556987156 /nfs/dbraw/zinc/98/71/56/556987156.db2.gz HJKHAHQAZNKBAA-XMMPIXPASA-N 1 0 427.564 3.767 50 0 IHAARO CCN1c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc2C(=O)N2CCCC[C@H]12 ZINC000097122780 556990517 /nfs/dbraw/zinc/99/05/17/556990517.db2.gz NQOAESUPYWHMJP-RUZDIDTESA-N 1 0 446.595 3.873 50 0 IHAARO CC[NH+]1CCN([C@H](c2cccc(F)c2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1 ZINC000023086420 556997304 /nfs/dbraw/zinc/99/73/04/556997304.db2.gz KTYWNIQAODHIJR-RUZDIDTESA-N 1 0 435.543 3.777 50 0 IHAARO Cc1ccc(N2C(=O)C[C@@H](N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)C2=O)cc1Cl ZINC000022920243 557046893 /nfs/dbraw/zinc/04/68/93/557046893.db2.gz SQMJMSGUQNOIQV-VBSWXYJSSA-N 1 0 442.003 3.867 50 0 IHAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc(CS(C)(=O)=O)cc2)C1 ZINC000048344581 557071688 /nfs/dbraw/zinc/07/16/88/557071688.db2.gz ZZQZEOSPTSJZGI-OALUTQOASA-N 1 0 428.598 3.639 50 0 IHAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000048362515 557074362 /nfs/dbraw/zinc/07/43/62/557074362.db2.gz UVVOTHYDDUZDBR-OAQYLSRUSA-N 1 0 436.581 3.983 50 0 IHAARO CCC1CCC2(CC1)NC(=O)N(CN1CC[NH+](Cc3cccc4ccccc43)CC1)C2=O ZINC000023257534 557079882 /nfs/dbraw/zinc/07/98/82/557079882.db2.gz SFJYSMUNEZWMFQ-UHFFFAOYSA-N 1 0 434.584 3.806 50 0 IHAARO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@H+](Cc2c(C)n(C)n(-c3ccccc3)c2=O)C1 ZINC000023340341 557086004 /nfs/dbraw/zinc/08/60/04/557086004.db2.gz CYZYKKXNTYZMBQ-SFHVURJKSA-N 1 0 437.515 3.727 50 0 IHAARO COc1ccccc1-n1cc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)cn1 ZINC000023375391 557088780 /nfs/dbraw/zinc/08/87/80/557088780.db2.gz HJWNOPFCNPOCJM-XMMPIXPASA-N 1 0 431.584 3.668 50 0 IHAARO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000060015700 557091356 /nfs/dbraw/zinc/09/13/56/557091356.db2.gz NXBVONWVPOOUDG-GUDVDZBRSA-N 1 0 429.586 3.584 50 0 IHAARO CC[NH+]1CCC(NC(=O)c2nn(-c3ccccc3)cc2-c2ccc(OC)c(OC)c2)CC1 ZINC000023463698 557093181 /nfs/dbraw/zinc/09/31/81/557093181.db2.gz HGUGNIDGOGZUBS-UHFFFAOYSA-N 1 0 434.540 3.771 50 0 IHAARO COc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1Cn1cccn1 ZINC000023505416 557095296 /nfs/dbraw/zinc/09/52/96/557095296.db2.gz YKFVWGNGIQJPDH-AREMUKBSSA-N 1 0 445.611 3.727 50 0 IHAARO Cc1nc2c(c(=O)n1CC(=O)Nc1ccc(F)cc1Cl)C[N@H+](Cc1ccccc1)CC2 ZINC000049400860 557096606 /nfs/dbraw/zinc/09/66/06/557096606.db2.gz CBDRMUYQKQUFPF-UHFFFAOYSA-N 1 0 440.906 3.541 50 0 IHAARO O=C(COc1coc(C[NH+]2CCCC2)cc1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000049548100 557112321 /nfs/dbraw/zinc/11/23/21/557112321.db2.gz DJNRFZLPVCZECU-UHFFFAOYSA-N 1 0 430.810 3.925 50 0 IHAARO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]CC(=O)NCCSc2ccc(Cl)cc2)cc1 ZINC000049605849 557115165 /nfs/dbraw/zinc/11/51/65/557115165.db2.gz FPULPKBIZYTKSQ-JOCHJYFZSA-N 1 0 448.032 3.520 50 0 IHAARO COC(=O)c1sc(NC(=O)CC[N@H+](Cc2cccs2)C2CC2)c(C(=O)OC)c1C ZINC000024774316 557137611 /nfs/dbraw/zinc/13/76/11/557137611.db2.gz PQKXUBUJIQGIAA-UHFFFAOYSA-N 1 0 436.555 3.684 50 0 IHAARO C[C@H](NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000024572642 557151583 /nfs/dbraw/zinc/15/15/83/557151583.db2.gz QWEPIRRBZOQCGP-WXVAWEFUSA-N 1 0 435.612 3.519 50 0 IHAARO COc1ccc([C@H](CNC(=O)CSc2nnc(NC3CC3)s2)[NH+]2CCCCC2)cc1 ZINC000024890002 557176991 /nfs/dbraw/zinc/17/69/91/557176991.db2.gz AZEPZOSBIVBNCE-SFHVURJKSA-N 1 0 447.630 3.557 50 0 IHAARO CCOC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000025230064 557200502 /nfs/dbraw/zinc/20/05/02/557200502.db2.gz KOERXQFXIBCHEW-IFMALSPDSA-N 1 0 441.524 3.601 50 0 IHAARO Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000025330561 557204601 /nfs/dbraw/zinc/20/46/01/557204601.db2.gz NWCLYPKKZDVATL-JOCHJYFZSA-N 1 0 432.549 3.788 50 0 IHAARO COc1ccc([C@H](CNC(=O)C[N@H+](C[C@H]2CCOC2)C2CC2)c2c[nH]c3ccccc32)cc1 ZINC000060842721 557219152 /nfs/dbraw/zinc/21/91/52/557219152.db2.gz LIOZTIFAUAGVBI-DVECYGJZSA-N 1 0 447.579 3.926 50 0 IHAARO O=c1occ(C[NH+]2CCN(c3ccccc3)CC2)c([O-])c1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000101373665 557280776 /nfs/dbraw/zinc/28/07/76/557280776.db2.gz XNFOGJBUODMBFK-QFIPXVFZSA-N 1 0 445.563 3.657 50 0 IHAARO C[C@@H]([NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc2ccccc2c1 ZINC000014123909 557306248 /nfs/dbraw/zinc/30/62/48/557306248.db2.gz HWRMEAIYKJNWHU-GOSISDBHSA-N 1 0 437.565 3.914 50 0 IHAARO O=C(c1ccsc1)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000575558592 557463088 /nfs/dbraw/zinc/46/30/88/557463088.db2.gz LMKMLKQYNYMYKJ-QFIPXVFZSA-N 1 0 425.598 3.724 50 0 IHAARO COc1cc(CN(C)Cc2cc(C)no2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000014981593 557633491 /nfs/dbraw/zinc/63/34/91/557633491.db2.gz OVCJIGOJNADGFU-NRFANRHFSA-N 1 0 431.577 3.629 50 0 IHAARO C[N@@H+]1CCN(CCNC(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)CC1(C)C ZINC000225671422 557760750 /nfs/dbraw/zinc/76/07/50/557760750.db2.gz DALVIYFYNQWLGD-UHFFFAOYSA-N 1 0 426.508 3.585 50 0 IHAARO CCN(CCCNC(=O)[C@H]1C[C@H]2CCC[N@@H+]2[C@]12c1ccccc1NC2=O)c1cccc(C)c1 ZINC000096286770 557773813 /nfs/dbraw/zinc/77/38/13/557773813.db2.gz HNYUNESLAGSTSW-WHCXKFMVSA-N 1 0 446.595 3.660 50 0 IHAARO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5cccc(Cl)c5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000061992823 557829759 /nfs/dbraw/zinc/82/97/59/557829759.db2.gz HXHILYRRLVJUGI-KLRIDBMASA-N 1 0 445.003 3.747 50 0 IHAARO Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CC[N@@H+]5CCC[C@@H]5C4)cc3n2)cc1 ZINC000000998743 562919963 /nfs/dbraw/zinc/91/99/63/562919963.db2.gz XLHRMMKTNCDVRQ-MRXNPFEDSA-N 1 0 429.446 3.644 50 0 IHAARO COc1ccc(C(=O)N[C@H](C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C(C)C)cc1 ZINC000006942271 562948614 /nfs/dbraw/zinc/94/86/14/562948614.db2.gz TVKAGLBOJOYIEV-QFIPXVFZSA-N 1 0 429.605 3.755 50 0 IHAARO CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000008345873 562949206 /nfs/dbraw/zinc/94/92/06/562949206.db2.gz ZMRYEQCCMCFPGI-JOCHJYFZSA-N 1 0 429.586 3.534 50 0 IHAARO Cc1nnc(SCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)n1-c1ccc(C)cc1 ZINC000009717089 562976020 /nfs/dbraw/zinc/97/60/20/562976020.db2.gz WJABKWBLECVSTB-UHFFFAOYSA-N 1 0 435.597 3.757 50 0 IHAARO Cc1cccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@@H](O)[C@H]34)CC2)c1C ZINC000252441172 568620293 /nfs/dbraw/zinc/62/02/93/568620293.db2.gz IYVNGAUMUARQSV-QGLJNFGTSA-N 1 0 438.612 3.710 50 0 biogenic IHAARO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104985092 568623537 /nfs/dbraw/zinc/62/35/37/568623537.db2.gz HCDJKGOWGZPUDZ-FCHUYYIVSA-N 1 0 446.494 3.664 50 0 IHAARO COc1ccc2c(c1)C[C@@H](C(=O)NCC[N@H+](CCc1ccccc1)Cc1ccco1)CO2 ZINC000015786292 568835971 /nfs/dbraw/zinc/83/59/71/568835971.db2.gz SIICMJADSCWDOJ-JOCHJYFZSA-N 1 0 434.536 3.700 50 0 IHAARO Cc1cccc(CN2CCN(Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@H]2CCO)n1 ZINC000105625795 568837468 /nfs/dbraw/zinc/83/74/68/568837468.db2.gz FTMWPTZWOBXPEN-JOCHJYFZSA-N 1 0 425.964 3.502 50 0 IHAARO Cc1onc(-c2ccccn2)c1C(=O)NCCC[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000035478623 568882684 /nfs/dbraw/zinc/88/26/84/568882684.db2.gz WEECQHYOBYAXER-UHFFFAOYSA-N 1 0 433.556 3.604 50 0 IHAARO COc1ccc2[nH]cc(CC[NH2+]C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@H](O)[C@H]34)c2c1 ZINC000001820057 568915721 /nfs/dbraw/zinc/91/57/21/568915721.db2.gz BJRTZLZJYHGJHK-QUGPMXRVSA-N 1 0 438.568 3.594 50 0 biogenic IHAARO CN1CC[N@H+](CCCNC(=O)Cc2csc(Cc3ccccc3)n2)[C@H](c2ccccc2)C1 ZINC000089382536 568921408 /nfs/dbraw/zinc/92/14/08/568921408.db2.gz BEKKUGUYAPNIGN-DEOSSOPVSA-N 1 0 448.636 3.771 50 0 IHAARO CC[C@@H](C(=O)NCCC[N@H+](C)C1CCCCC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787531 568956233 /nfs/dbraw/zinc/95/62/33/568956233.db2.gz VUVDBYRJPNUBRY-NRFANRHFSA-N 1 0 437.588 3.610 50 0 IHAARO Cc1cc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)nc(NC2CCCCC2)[nH+]1 ZINC000064814564 568964083 /nfs/dbraw/zinc/96/40/83/568964083.db2.gz ZOCGWKXCCYOGCN-UHFFFAOYSA-N 1 0 443.617 3.657 50 0 IHAARO CCCC[N@H+](C)CCCNC(=O)Nc1sc2nc3n(c(=O)c2c1C)CC[C@@H](C)CC3 ZINC000006750180 568972221 /nfs/dbraw/zinc/97/22/21/568972221.db2.gz LCHCYMZUUWKEHI-HNNXBMFYSA-N 1 0 433.622 3.982 50 0 IHAARO Cc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1-n1nnc2cccnc21 ZINC000064896550 568983585 /nfs/dbraw/zinc/98/35/85/568983585.db2.gz HZDQNDYBRFFHOY-UHFFFAOYSA-N 1 0 426.524 3.518 50 0 IHAARO CC[C@H](C(=O)NCCC[NH+]1CCCCC1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000006799360 568989978 /nfs/dbraw/zinc/98/99/78/568989978.db2.gz XRKLMZBYBNIUNX-GOSISDBHSA-N 1 0 426.586 3.863 50 0 IHAARO Cc1nn(CCCC(=O)NCCC[NH+]2CCCCC2)c(=O)c2c3ccccc3sc21 ZINC000006799456 568990181 /nfs/dbraw/zinc/99/01/81/568990181.db2.gz XCFGZRMEUWQIFI-UHFFFAOYSA-N 1 0 426.586 3.692 50 0 IHAARO CCC[NH+]1CCN(CCCNC(=O)c2ccc3nc(CCc4ccccc4)oc3c2)CC1 ZINC000064968168 569076121 /nfs/dbraw/zinc/07/61/21/569076121.db2.gz ITEVIKBDERSFGO-UHFFFAOYSA-N 1 0 434.584 3.761 50 0 IHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2ccccc2OC)CC1 ZINC000036341390 569079311 /nfs/dbraw/zinc/07/93/11/569079311.db2.gz MKUATGFQHVZGFZ-JOCHJYFZSA-N 1 0 440.975 3.664 50 0 IHAARO CCOc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)CN2CC[NH+](CC)CC2)cc1 ZINC000036344082 569080006 /nfs/dbraw/zinc/08/00/06/569080006.db2.gz FWDUJQLWPRKPLF-VWLOTQADSA-N 1 0 434.584 3.709 50 0 IHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2ccccc2OC)CC1 ZINC000036345352 569080656 /nfs/dbraw/zinc/08/06/56/569080656.db2.gz JQOARBIGBVVXDR-XMMPIXPASA-N 1 0 434.584 3.627 50 0 IHAARO CC[N@H+](CCNC(=O)[C@@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1)Cc1ccccc1 ZINC000065023690 569089268 /nfs/dbraw/zinc/08/92/68/569089268.db2.gz LKXGIXWPUHEVTR-XMMPIXPASA-N 1 0 443.595 3.998 50 0 IHAARO Cc1ccc(N2CCN(C(=O)c3ccc(N4CC[NH2+][C@@H](c5ccccc5)C4)nc3)CC2)cc1 ZINC000065256153 569123258 /nfs/dbraw/zinc/12/32/58/569123258.db2.gz VBUIRPPXUNMYNY-RUZDIDTESA-N 1 0 441.579 3.503 50 0 IHAARO C[NH+]1CCC(NC(=O)C2CCN(c3nc4ccc(-c5cccs5)nc4s3)CC2)CC1 ZINC000065272211 569128891 /nfs/dbraw/zinc/12/88/91/569128891.db2.gz KSQYZBRBPTXKQO-UHFFFAOYSA-N 1 0 441.626 3.847 50 0 IHAARO C[NH+](C)CCCNC(=O)C1CCN(c2nc3ccc(-c4ccccc4F)nc3s2)CC1 ZINC000065272050 569128948 /nfs/dbraw/zinc/12/89/48/569128948.db2.gz QSTDGLSKFHMIHN-UHFFFAOYSA-N 1 0 441.576 3.782 50 0 IHAARO O=C(c1cc2c(s1)CC[C@H](C(=O)N1CC[NH+](C3CCCCC3)CC1)C2)N1CCCCC1 ZINC000065272980 569129165 /nfs/dbraw/zinc/12/91/65/569129165.db2.gz GBANBXWBDGNVQK-IBGZPJMESA-N 1 0 443.657 3.956 50 0 IHAARO COc1ccc(Br)c(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000170609711 569144709 /nfs/dbraw/zinc/14/47/09/569144709.db2.gz IMQKRNKITVAVOY-QGZVFWFLSA-N 1 0 448.361 3.736 50 0 IHAARO Cc1ccc(-n2c(Cl)c(CN3CCC([N@H+]4CCO[C@H](C)C4)CC3)nc2N(C)C)cc1 ZINC000170616039 569146903 /nfs/dbraw/zinc/14/69/03/569146903.db2.gz PFTPLVAVOBPUBM-GOSISDBHSA-N 1 0 432.012 3.585 50 0 IHAARO [NH2+]=C1NC(SCC(=O)Nc2ccc3ccccc3c2)=N[C@H](c2c[nH]c3ccccc32)N1 ZINC000013579222 569156150 /nfs/dbraw/zinc/15/61/50/569156150.db2.gz LJSAENCNJDTWOT-OAQYLSRUSA-N 1 0 428.521 3.966 50 0 IHAARO Cc1ccc(C)c(C(=O)c2ccccc2C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000014522015 569159280 /nfs/dbraw/zinc/15/92/80/569159280.db2.gz PFYIOYJCUSEWIL-UHFFFAOYSA-N 1 0 428.536 3.934 50 0 IHAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(Cn4ccc(C(F)(F)F)n4)on3)CC2)cc1 ZINC000089632321 569160275 /nfs/dbraw/zinc/16/02/75/569160275.db2.gz ANRVUNQARNZHTC-UHFFFAOYSA-N 1 0 447.461 3.595 50 0 IHAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCC(C(=O)c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000002108019 569181299 /nfs/dbraw/zinc/18/12/99/569181299.db2.gz ATJMZTVSABUEJR-TZSFCKRFSA-N 1 0 437.580 3.866 50 0 biogenic IHAARO C[NH+]1CCN(c2ccccc2NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)CC1 ZINC000014852756 569182942 /nfs/dbraw/zinc/18/29/42/569182942.db2.gz TVQAAJRATVJPKW-UHFFFAOYSA-N 1 0 433.531 3.894 50 0 IHAARO CCOC(=O)C1([C@H](C)[NH2+]CC[C@@](C)(O)c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000252504219 569188209 /nfs/dbraw/zinc/18/82/09/569188209.db2.gz VIIZRUZVQXGLLA-YADARESESA-N 1 0 448.604 3.843 50 0 IHAARO CC(C)CN1CC[NH+]([C@H]2CCOC3(CCN(C(=O)c4cccc5[nH]ccc54)CC3)C2)CC1 ZINC000581819826 569211631 /nfs/dbraw/zinc/21/16/31/569211631.db2.gz NEZMQBOIDOFRFH-NRFANRHFSA-N 1 0 438.616 3.595 50 0 IHAARO COc1cc(N(C)CC[NH+](C)C)c(N)cc1Nc1nccc(-c2cn(C)c3ccccc23)n1 ZINC000146451979 569258966 /nfs/dbraw/zinc/25/89/66/569258966.db2.gz HTNTZPBKKCORTP-UHFFFAOYSA-N 1 0 445.571 3.968 50 0 IHAARO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)C1CCN(CC(F)(F)F)CC1 ZINC000253404130 569265147 /nfs/dbraw/zinc/26/51/47/569265147.db2.gz DVEXFLVDXHLTFS-UHFFFAOYSA-N 1 0 431.930 3.943 50 0 IHAARO C[NH+](C)CCn1ccc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)n1 ZINC000078718499 569318534 /nfs/dbraw/zinc/31/85/34/569318534.db2.gz RLMVIYXAFGEMTG-HXUWFJFHSA-N 1 0 439.947 3.598 50 0 IHAARO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)cc1F ZINC000079016087 569322138 /nfs/dbraw/zinc/32/21/38/569322138.db2.gz QOAYWDDOYSEVCY-MRXNPFEDSA-N 1 0 437.437 3.893 50 0 IHAARO CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(=O)Cc1ccc(Br)cc1 ZINC000079026024 569322935 /nfs/dbraw/zinc/32/29/35/569322935.db2.gz MOCNJUPTLZQSJA-QFIPXVFZSA-N 1 0 445.401 3.896 50 0 IHAARO Cc1ccc(-n2nc(C(=O)N3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c3c2CCC3)cc1 ZINC000079049312 569323245 /nfs/dbraw/zinc/32/32/45/569323245.db2.gz COZINAYGNSPPSM-VXKWHMMOSA-N 1 0 426.564 3.873 50 0 IHAARO COc1ccc(-n2cc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c3ccccc3c2=O)cc1 ZINC000079192949 569328136 /nfs/dbraw/zinc/32/81/36/569328136.db2.gz WWOWQSHHGANKPM-UQBPGWFLSA-N 1 0 445.563 3.994 50 0 biogenic IHAARO O=C(CSc1nc2ccccc2nc1N1CCCC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000020069347 569333277 /nfs/dbraw/zinc/33/32/77/569333277.db2.gz MVPUILQRCVFNHD-UHFFFAOYSA-N 1 0 439.629 3.799 50 0 IHAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)c4cccc(OC)c4OC)ccc3n2)CC1 ZINC000020108620 569334360 /nfs/dbraw/zinc/33/43/60/569334360.db2.gz DTSBOMULJWKIAM-UHFFFAOYSA-N 1 0 434.540 3.955 50 0 IHAARO O=c1c2[nH]c3ccc(Cl)cc3c2ncn1CCCN1CC[NH+](C2CCCCC2)CC1 ZINC000020438366 569365586 /nfs/dbraw/zinc/36/55/86/569365586.db2.gz SEVYZRDWWDGCFN-UHFFFAOYSA-N 1 0 427.980 3.872 50 0 IHAARO Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000095427335 569366007 /nfs/dbraw/zinc/36/60/07/569366007.db2.gz BAAGPUPMJNWUNK-DQEYMECFSA-N 1 0 444.579 3.955 50 0 IHAARO Cn1c(C[NH+]2CCCCCC2)cc(=O)c(O)c1CN1CC=C(c2ccc(F)cc2)CC1 ZINC000095472089 569372137 /nfs/dbraw/zinc/37/21/37/569372137.db2.gz QISGOSYHQSRZRH-UHFFFAOYSA-N 1 0 425.548 3.895 50 0 IHAARO CC[NH+](CC)CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ncn(C)c1Cl ZINC000095944159 569375668 /nfs/dbraw/zinc/37/56/68/569375668.db2.gz MTADOPQMCINDQO-UHFFFAOYSA-N 1 0 438.903 3.629 50 0 IHAARO Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N4CC[C@H]5CC[N@@H+](C)C[C@H]54)cc3)ccc12 ZINC000095995832 569378729 /nfs/dbraw/zinc/37/87/29/569378729.db2.gz PHHBXESXRAPPAS-AUSIDOKSSA-N 1 0 432.520 3.847 50 0 IHAARO COC(=O)C(C)(C)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(OC)c(OC)c1 ZINC000095997166 569378896 /nfs/dbraw/zinc/37/88/96/569378896.db2.gz ACAWTHGDHOYCJB-UHFFFAOYSA-N 1 0 437.540 3.904 50 0 IHAARO CC(C)([C@@H](NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000096011858 569379884 /nfs/dbraw/zinc/37/98/84/569379884.db2.gz BWYSOYLODGAVTL-RXVVDRJESA-N 1 0 433.543 3.645 50 0 IHAARO COCc1ccccc1CNC(=O)C[NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000096012806 569380241 /nfs/dbraw/zinc/38/02/41/569380241.db2.gz RNJHUKRZWFPFGI-XMMPIXPASA-N 1 0 446.526 3.969 50 0 IHAARO Cc1ccc2c(c1)OC[C@@H](CC(=O)NCCC[NH+]1CCCC1)N2Cc1ccc(F)cc1 ZINC000096323024 569394990 /nfs/dbraw/zinc/39/49/90/569394990.db2.gz KTTNRLQVARIORC-JOCHJYFZSA-N 1 0 425.548 3.894 50 0 IHAARO Cc1nn(-c2ccc(Cl)cc2)c(C)c1S(=O)(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000096357145 569397378 /nfs/dbraw/zinc/39/73/78/569397378.db2.gz YXIGMIFFBDPZGE-UHFFFAOYSA-N 1 0 437.009 3.782 50 0 IHAARO COc1ccc2[nH]cc(/C=C(\NC(=O)c3ccccc3)C(=O)NCC(C)(C)C[NH+](C)C)c2c1 ZINC000215698222 569412480 /nfs/dbraw/zinc/41/24/80/569412480.db2.gz RUJSIKFNMNPVFX-QRVIBDJDSA-N 1 0 448.567 3.651 50 0 IHAARO O=C(CNC(=O)c1cccc(F)c1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057270642 569430258 /nfs/dbraw/zinc/43/02/58/569430258.db2.gz SLWZMVWZKDKVJS-UHFFFAOYSA-N 1 0 446.526 3.516 50 0 IHAARO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@H](C)c2ccc(OC)c(Br)c2)c1 ZINC000057335794 569431099 /nfs/dbraw/zinc/43/10/99/569431099.db2.gz IKPIKBCGMCIPBH-CYBMUJFWSA-N 1 0 435.318 3.842 50 0 IHAARO Cc1cccc(CS(=O)(=O)Cc2ccc(C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)o2)c1 ZINC000002966747 569433030 /nfs/dbraw/zinc/43/30/30/569433030.db2.gz YYQOQGJCGAEDSJ-BGYRXZFFSA-N 1 0 446.613 3.801 50 0 IHAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(F)cc3)C[C@H]1[C@@H](C(=O)NCCC(C)C)C2 ZINC000230138136 569439236 /nfs/dbraw/zinc/43/92/36/569439236.db2.gz AXKNWRFWJZUYRW-ZCYQVOJMSA-N 1 0 439.575 3.860 50 0 IHAARO Cc1nn(-c2ccccc2)c2nc(Cl)c([C@H]3NC(=[NH2+])Nc4nc5ccccc5n43)cc12 ZINC000038257302 569462484 /nfs/dbraw/zinc/46/24/84/569462484.db2.gz UKDFWGUICFFROD-IBGZPJMESA-N 1 0 428.887 3.828 50 0 IHAARO O=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cc(F)ccc1F ZINC000040087043 569486753 /nfs/dbraw/zinc/48/67/53/569486753.db2.gz ZXDGAKHJFNMAJJ-UHFFFAOYSA-N 1 0 427.417 3.926 50 0 IHAARO C[NH+](C)[C@@H](CNC(=O)Nc1cc2c(cc1Br)OCCO2)c1cccs1 ZINC000040103730 569488128 /nfs/dbraw/zinc/48/81/28/569488128.db2.gz BIPXLNYQWCMDTG-ZDUSSCGKSA-N 1 0 426.336 3.706 50 0 IHAARO CN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008945559 569489060 /nfs/dbraw/zinc/48/90/60/569489060.db2.gz BHBGHHBPPDZNRD-SFHVURJKSA-N 1 0 437.565 3.906 50 0 IHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cnn4c3nccc4-c3ccccc3)cc2)CC1 ZINC000040145077 569492066 /nfs/dbraw/zinc/49/20/66/569492066.db2.gz SYQOZFBVVGOXKX-UHFFFAOYSA-N 1 0 426.524 3.791 50 0 IHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000040355805 569499820 /nfs/dbraw/zinc/49/98/20/569499820.db2.gz JPLYOUCQEGRPSO-GFCCVEGCSA-N 1 0 427.357 3.916 50 0 IHAARO Cc1c(C(=O)NCC2CCCCC2)nnn1-c1cccc2c1CC[N@H+](Cc1ccncc1)C2 ZINC000070011872 569528061 /nfs/dbraw/zinc/52/80/61/569528061.db2.gz QIGQNXXYGBBKLP-UHFFFAOYSA-N 1 0 444.583 3.839 50 0 IHAARO COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)NCC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000009728552 569564188 /nfs/dbraw/zinc/56/41/88/569564188.db2.gz UEXGYEUQIBXZRT-UHFFFAOYSA-N 1 0 448.542 3.965 50 0 IHAARO Cc1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+](C)C)c3c2CCCC3)cc1Cl ZINC000009747840 569565883 /nfs/dbraw/zinc/56/58/83/569565883.db2.gz HLCDLVPUVCLUOA-UHFFFAOYSA-N 1 0 449.020 3.766 50 0 IHAARO COc1cc(C(=O)Nc2nc3ccccc3n2CC[NH+]2CCCCC2)cc(OC)c1OC ZINC000028305459 569584232 /nfs/dbraw/zinc/58/42/32/569584232.db2.gz OZVIZUYUBKGDQW-UHFFFAOYSA-N 1 0 438.528 3.800 50 0 IHAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1csc(NC(=O)c2c(F)cccc2F)n1 ZINC000040356057 569588094 /nfs/dbraw/zinc/58/80/94/569588094.db2.gz WLCGVHNLYIYCPK-UHFFFAOYSA-N 1 0 444.507 3.878 50 0 IHAARO C[C@H]1CC[C@@H]2[N@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5C[C@@H](O)CC[C@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O ZINC000030727228 291372817 /nfs/dbraw/zinc/37/28/17/291372817.db2.gz IQDIERHFZVCNRZ-YUYPDVIUSA-N 1 0 429.645 3.886 50 0 biogenic,in-vitro IHAARO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000002280078 132251079 /nfs/dbraw/zinc/25/10/79/132251079.db2.gz QQZVCPPBTPUAPZ-UHFFFAOYSA-N 1 0 438.503 3.553 50 0 IHAARO Cc1cccc(N2CCN(C(=O)c3cnn(-c4ccccc4)c3C3CC[NH2+]CC3)CC2)c1C ZINC000009227342 132309967 /nfs/dbraw/zinc/30/99/67/132309967.db2.gz PXKKFPYMWHQACY-UHFFFAOYSA-N 1 0 443.595 3.919 50 0 IHAARO CC(C)[N@H+](CCCNC(=O)CCC(=O)N1C[C@@H](C)Oc2ccccc21)Cc1ccccc1 ZINC000009287131 132312629 /nfs/dbraw/zinc/31/26/29/132312629.db2.gz RJONBIOOMFUSBU-OAQYLSRUSA-N 1 0 437.584 3.998 50 0 IHAARO O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011697943 132339284 /nfs/dbraw/zinc/33/92/84/132339284.db2.gz WODCZEPNLQBEFN-UHFFFAOYSA-N 1 0 428.418 3.596 50 0 IHAARO CCOC(=O)C1C(C[N@@H+]2CC[C@@H](c3ccc(C)cc3)C2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560344 520516654 /nfs/dbraw/zinc/51/66/54/520516654.db2.gz XNQZVKPPSTXPJN-ZJSXRUAMSA-N 1 0 433.552 3.964 50 0 IHAARO CCN(CC)C(=O)c1ccc(CNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000058184646 520549390 /nfs/dbraw/zinc/54/93/90/520549390.db2.gz KSWDQVWECDOGPU-UHFFFAOYSA-N 1 0 428.621 3.966 50 0 IHAARO CC[NH+](CC)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021863246 520662507 /nfs/dbraw/zinc/66/25/07/520662507.db2.gz BYCHSGNIFQYQOJ-VWLOTQADSA-N 1 0 440.588 3.753 50 0 IHAARO CCOc1cc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)ccc1O ZINC000020920629 520697203 /nfs/dbraw/zinc/69/72/03/520697203.db2.gz IYVTVTJTKMHSCY-OAQYLSRUSA-N 1 0 425.573 3.586 50 0 IHAARO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)NC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000012737684 520864798 /nfs/dbraw/zinc/86/47/98/520864798.db2.gz WEZVASVLRIONIU-OXJNMPFZSA-N 1 0 446.389 3.767 50 0 IHAARO CC1CC[NH+](CC(=O)N2CCN(c3nnc(-c4ccccc4)c4ccccc43)CC2)CC1 ZINC000020461096 520994464 /nfs/dbraw/zinc/99/44/64/520994464.db2.gz CICVCMPVSITZFD-UHFFFAOYSA-N 1 0 429.568 3.677 50 0 IHAARO CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCC[N@H+](CCc1ccccc1)Cc1ccco1 ZINC000021018725 521165871 /nfs/dbraw/zinc/16/58/71/521165871.db2.gz NJEIQZUTDAILPN-VWLOTQADSA-N 1 0 445.563 3.808 50 0 IHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1 ZINC000012122650 521639408 /nfs/dbraw/zinc/63/94/08/521639408.db2.gz LZUVGJZUIYMRMO-HXUWFJFHSA-N 1 0 442.567 3.519 50 0 IHAARO CCN1CC[NH+](C2CCN(Cc3nc(C(c4ccccc4)c4ccccc4)no3)CC2)CC1 ZINC000020998096 521672028 /nfs/dbraw/zinc/67/20/28/521672028.db2.gz NXSGNWBELSAAAQ-UHFFFAOYSA-N 1 0 445.611 3.852 50 0 IHAARO CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)CC1=O ZINC000012537227 521855596 /nfs/dbraw/zinc/85/55/96/521855596.db2.gz ADDYWOBNHSHWRV-NRFANRHFSA-N 1 0 434.584 3.691 50 0 IHAARO COc1cc(/C=C/C[NH+]2CCC3(C[C@@H]3C(=O)N(C)Cc3cscn3)CC2)ccc1O ZINC000012192068 521939591 /nfs/dbraw/zinc/93/95/91/521939591.db2.gz FLRWCJSFOQWDJZ-GNAXCBTBSA-N 1 0 427.570 3.631 50 0 IHAARO COC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C(=O)c3ccc(NC(C)=O)cc3)C2)cc1 ZINC000012513132 522016953 /nfs/dbraw/zinc/01/69/53/522016953.db2.gz CVHFZXZHLNBJAZ-VWNXMTODSA-N 1 0 449.551 3.558 50 0 IHAARO COc1cc(Br)c(OC)c(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000012759289 522025174 /nfs/dbraw/zinc/02/51/74/522025174.db2.gz GJDWAWRFJGFWJO-QGZVFWFLSA-N 1 0 425.298 3.638 50 0 IHAARO COC(=O)c1sccc1NC(=O)NCc1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020865044 522447451 /nfs/dbraw/zinc/44/74/51/522447451.db2.gz BSGKULBZXFHGGQ-UHFFFAOYSA-N 1 0 430.555 3.697 50 0 IHAARO CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000012298697 522659304 /nfs/dbraw/zinc/65/93/04/522659304.db2.gz XDJGJACPQHHQAR-UHFFFAOYSA-N 1 0 438.959 3.603 50 0 IHAARO COc1cc(OC)cc(C(=O)N(CCC[NH+](C)C)c2nc3c(cccc3OC)s2)c1 ZINC000012140971 522843101 /nfs/dbraw/zinc/84/31/01/522843101.db2.gz NKTSNVQPOGYZCA-UHFFFAOYSA-N 1 0 429.542 3.921 50 0 IHAARO C[N@H+](CCNC(=O)CCN1c2ccccc2Sc2ncccc2C1=O)Cc1ccccc1 ZINC000020864662 522845838 /nfs/dbraw/zinc/84/58/38/522845838.db2.gz SKCKEQDBFCKJLT-UHFFFAOYSA-N 1 0 446.576 3.831 50 0 IHAARO COC(=O)CCCC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012474648 522951089 /nfs/dbraw/zinc/95/10/89/522951089.db2.gz STWVHFRXUSIYSQ-SFHVURJKSA-N 1 0 428.495 3.762 50 0 IHAARO COc1ccc(-n2cc(C[NH2+]CCN3CCOC3=O)c(-c3ccccc3Cl)n2)cc1 ZINC000012706685 523329860 /nfs/dbraw/zinc/32/98/60/523329860.db2.gz GMZBMEULHSKNRT-UHFFFAOYSA-N 1 0 426.904 3.743 50 0 IHAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H]([NH2+]CCc1cccc(Cl)c1)CC2 ZINC000014746903 523435144 /nfs/dbraw/zinc/43/51/44/523435144.db2.gz RSYALYNUHAWARY-SFHVURJKSA-N 1 0 426.948 3.628 50 0 IHAARO CCn1ccnc1CN(C)Cc1ccc(OC[C@H](O)C[NH+]2CCCCCCC2)c(OC)c1 ZINC000012314694 523524934 /nfs/dbraw/zinc/52/49/34/523524934.db2.gz KPDHUBJPGWVDAG-JOCHJYFZSA-N 1 0 444.620 3.549 50 0 IHAARO CCn1nc(C)c(CNC(=O)c2ccc(OC)c(OC3CC[NH+](C(C)C)CC3)c2)c1C ZINC000012111752 523643333 /nfs/dbraw/zinc/64/33/33/523643333.db2.gz KLEAARUETMFQIW-UHFFFAOYSA-N 1 0 428.577 3.710 50 0 IHAARO CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000012906601 523651591 /nfs/dbraw/zinc/65/15/91/523651591.db2.gz WAGXUCHOGZSLIZ-UHFFFAOYSA-N 1 0 429.586 3.551 50 0 IHAARO CN1C(=O)N(CCCc2ccncc2)C(=O)C12CC[NH+](Cc1cc3ccccc3o1)CC2 ZINC000014743479 523716154 /nfs/dbraw/zinc/71/61/54/523716154.db2.gz YVCMQGMDJNXWFC-UHFFFAOYSA-N 1 0 432.524 3.689 50 0 IHAARO CN1CCC([NH2+]C2CCN(c3ccc(C(=O)N4CCc5ccccc5C4)cc3)CC2)CC1 ZINC000011967329 523775905 /nfs/dbraw/zinc/77/59/05/523775905.db2.gz RTJJDZBBLGJADF-UHFFFAOYSA-N 1 0 432.612 3.538 50 0 IHAARO C[NH+]1CCN([C@H](CNC(=O)COc2ccc(Cl)cc2Cl)c2ccsc2)CC1 ZINC000022765637 523919682 /nfs/dbraw/zinc/91/96/82/523919682.db2.gz ZEEXYSHFHQHWCP-QGZVFWFLSA-N 1 0 428.385 3.539 50 0 IHAARO C[NH+]1CCN(c2nc3nn(-c4ccccc4Cl)c(N)c3c(-c3ccc(F)cc3)n2)CC1 ZINC000035929976 523930278 /nfs/dbraw/zinc/93/02/78/523930278.db2.gz VTZSLTNEDAZKGG-UHFFFAOYSA-N 1 0 437.910 3.609 50 0 IHAARO Cc1cc(C)n(CCN(C)C(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)n1 ZINC000012439540 524527626 /nfs/dbraw/zinc/52/76/26/524527626.db2.gz BLDDPIIDGJJFLO-UHFFFAOYSA-N 1 0 447.583 3.711 50 0 IHAARO COc1ccccc1[C@H](CNC(=O)[C@H](NC(=O)c1ccc(C)cc1)C(C)C)[NH+]1CCCC1 ZINC000012796122 524790650 /nfs/dbraw/zinc/79/06/50/524790650.db2.gz AUKKKEDYFKMIKM-LADGPHEKSA-N 1 0 437.584 3.711 50 0 IHAARO Cc1ccc(N2CC[NH+](C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@@H]43)CC2)cc1C ZINC000070680963 524964655 /nfs/dbraw/zinc/96/46/55/524964655.db2.gz ZZSQDHGSNRGFRY-QJUHDENJSA-N 1 0 438.612 3.710 50 0 IHAARO C[C@]1(C(=O)NC2CCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1CC[NH+]1CCCC1 ZINC000021863309 525198408 /nfs/dbraw/zinc/19/84/08/525198408.db2.gz WZVMYIYGGJBWOS-RUZDIDTESA-N 1 0 438.572 3.507 50 0 IHAARO Cc1[nH]c2ccccc2c1C[NH+]1CCC([C@@]2(CCc3ccccc3)NC(=O)NC2=O)CC1 ZINC000012040640 525445689 /nfs/dbraw/zinc/44/56/89/525445689.db2.gz AZAILIVAOOYECV-AREMUKBSSA-N 1 0 430.552 3.899 50 0 IHAARO O=C(NCC[NH+]1CCCCC1)[C@H]1CS[C@H](C2CCCCC2)N1C(=O)c1cccc(F)c1 ZINC000035703449 526308439 /nfs/dbraw/zinc/30/84/39/526308439.db2.gz MBZMDVZBNTXRPQ-ZJSXRUAMSA-N 1 0 447.620 3.892 50 0 IHAARO O=C(CC1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1)NCCC[NH+]1CCCC1 ZINC000035562028 526365870 /nfs/dbraw/zinc/36/58/70/526365870.db2.gz NSHMPCFXLIDNOM-UHFFFAOYSA-N 1 0 430.980 3.666 50 0 IHAARO c1c(CN2CC[NH+](CC3CC3)CC2)c(-c2ccc3c(c2)OCO3)nn1Cc1ccccc1 ZINC000020600282 526398361 /nfs/dbraw/zinc/39/83/61/526398361.db2.gz WBIXHXGAOKPSRA-UHFFFAOYSA-N 1 0 430.552 3.855 50 0 IHAARO O=C(c1ccc(N2CCC([NH2+]CCCc3ccccc3)CC2)cc1)N1CCC[C@H](CO)C1 ZINC000012457341 526697094 /nfs/dbraw/zinc/69/70/94/526697094.db2.gz XHJNAOAENJVBFY-QHCPKHFHSA-N 1 0 435.612 3.722 50 0 IHAARO Cc1sc2nc(CN3CCOCC3)nc(NCc3ccccc3C[NH+](C)C)c2c1C ZINC000023936280 526892325 /nfs/dbraw/zinc/89/23/25/526892325.db2.gz AVVAMKSOJSZTJG-UHFFFAOYSA-N 1 0 425.602 3.814 50 0 IHAARO Clc1ccc2c(c1)nc(CN1CC[NH+](C3CCCC3)CC1)nc2NC[C@@H]1CCCO1 ZINC000022853554 526967485 /nfs/dbraw/zinc/96/74/85/526967485.db2.gz CZKATMRHJOVSAQ-IBGZPJMESA-N 1 0 429.996 3.934 50 0 IHAARO O=C1CCCc2cc(S(=O)(=O)NCCC[N@H+](Cc3ccco3)C3CCCC3)ccc2N1 ZINC000021535850 526984997 /nfs/dbraw/zinc/98/49/97/526984997.db2.gz NDXLCILGPBLXSD-UHFFFAOYSA-N 1 0 445.585 3.668 50 0 IHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000012391671 527531144 /nfs/dbraw/zinc/53/11/44/527531144.db2.gz XDMVDIOXHWZMLM-SFHVURJKSA-N 1 0 445.485 3.839 50 0 IHAARO Cc1nn(C)c(Cl)c1C[NH+]1CCC(CCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000012307978 527665455 /nfs/dbraw/zinc/66/54/55/527665455.db2.gz FWCCTCVWZVSZDG-UHFFFAOYSA-N 1 0 444.023 3.723 50 0 IHAARO COc1cc(CCC(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)cc(OC)c1OC ZINC000004057960 536734167 /nfs/dbraw/zinc/73/41/67/536734167.db2.gz XBTLWFREAAPQHW-UHFFFAOYSA-N 1 0 447.963 3.689 50 0 IHAARO CCC[NH+](CCC)C[C@@H](O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000002205966 555757727 /nfs/dbraw/zinc/75/77/27/555757727.db2.gz RBVGIWQKWDJXNW-OAQYLSRUSA-N 1 0 434.602 3.682 50 0 IHAARO O=C(COc1ccccc1)Nc1ccc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)nc1 ZINC000034681979 555815749 /nfs/dbraw/zinc/81/57/49/555815749.db2.gz WJGUDEGBOFXFAM-UHFFFAOYSA-N 1 0 434.515 3.951 50 0 IHAARO NNc1nc(Nc2ccc(Br)cc2)nc(OC(C(F)(F)F)C(F)(F)F)[nH+]1 ZINC000002946821 555865409 /nfs/dbraw/zinc/86/54/09/555865409.db2.gz XWSASDNOGMZXML-UHFFFAOYSA-N 1 0 447.137 3.535 50 0 IHAARO CC[NH+]1CCN(c2c(CN(C(=O)C3CCC3)C3CC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034835630 555913808 /nfs/dbraw/zinc/91/38/08/555913808.db2.gz YBLMVLNXZHRRMQ-UHFFFAOYSA-N 1 0 439.579 3.753 50 0 IHAARO O=C(NCC[NH+]1CCCC1)c1nnc(N2CCC(Cc3ccccc3)CC2)c2ccccc21 ZINC000034837644 555914405 /nfs/dbraw/zinc/91/44/05/555914405.db2.gz VRQVDGMBTHJOQK-UHFFFAOYSA-N 1 0 443.595 3.915 50 0 IHAARO CCOc1ccc(N2C(=O)C[C@@H](N3CCC(CC[NH+]4CCC(C)CC4)CC3)C2=O)cc1 ZINC000004727884 556008552 /nfs/dbraw/zinc/00/85/52/556008552.db2.gz WFBRRYBRJMTQEJ-HSZRJFAPSA-N 1 0 427.589 3.551 50 0 IHAARO CCOc1cc(C[NH2+][C@H](CC)CO)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000008437950 556173915 /nfs/dbraw/zinc/17/39/15/556173915.db2.gz KCWVIOPBCGLGSZ-QGZVFWFLSA-N 1 0 440.462 3.982 50 0 IHAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)C[NH+](CCO)CCO ZINC000009444136 556292099 /nfs/dbraw/zinc/29/20/99/556292099.db2.gz VSGKFYBBHONIJS-XMMPIXPASA-N 1 0 444.575 3.931 50 0 IHAARO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)C[NH+](CCO)CCO ZINC000009445792 556292444 /nfs/dbraw/zinc/29/24/44/556292444.db2.gz VSGKFYBBHONIJS-DEOSSOPVSA-N 1 0 444.575 3.931 50 0 IHAARO Cc1ccc([C@@H]([NH2+]CC(=O)N2CCN(C(=O)c3cccs3)CC2)c2cccs2)cc1 ZINC000032739774 556300484 /nfs/dbraw/zinc/30/04/84/556300484.db2.gz NWQMMSFQDSKFLW-JOCHJYFZSA-N 1 0 439.606 3.782 50 0 IHAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000011720369 556348442 /nfs/dbraw/zinc/34/84/42/556348442.db2.gz RTVXTTFAFPXBOS-UHFFFAOYSA-N 1 0 449.551 3.663 50 0 IHAARO CC(C)c1nc(N2CCCC2=O)sc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000065086421 556358510 /nfs/dbraw/zinc/35/85/10/556358510.db2.gz WCQOOKKGWYWVSB-UHFFFAOYSA-N 1 0 426.586 3.788 50 0 IHAARO C[N@@H+]1CCC[C@H](C(=O)N2CCC(n3nccc3NC(=O)Nc3ccccc3Cl)CC2)C1 ZINC000011816411 556359072 /nfs/dbraw/zinc/35/90/72/556359072.db2.gz QEMRMHSYTPMXOA-INIZCTEOSA-N 1 0 444.967 3.686 50 0 IHAARO CC[NH+](CC)[C@H](CNC(=O)N1CCN(Cc2cccs2)CC1)c1cccc(OC)c1 ZINC000032802487 556364898 /nfs/dbraw/zinc/36/48/98/556364898.db2.gz VFLJLZWMDUHODQ-JOCHJYFZSA-N 1 0 430.618 3.667 50 0 IHAARO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000014118605 556371494 /nfs/dbraw/zinc/37/14/94/556371494.db2.gz LIJXFYIGMRQBPY-STQMWFEESA-N 1 0 444.384 3.922 50 0 IHAARO COCCN(Cc1cnc(N(C)C)s1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011879293 556371673 /nfs/dbraw/zinc/37/16/73/556371673.db2.gz LNPXDUNWPGZTPK-LJQANCHMSA-N 1 0 428.646 3.537 50 0 IHAARO CC(=O)c1cccc(C[NH+]2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)c1 ZINC000011879026 556371780 /nfs/dbraw/zinc/37/17/80/556371780.db2.gz YGYDOIAXJQJBJX-UHFFFAOYSA-N 1 0 446.507 3.904 50 0 IHAARO Cn1nccc1C(=O)NC[C@@H]1CCC2(CC[NH+](Cc3ccccc3-c3ccco3)CC2)O1 ZINC000011970650 556382464 /nfs/dbraw/zinc/38/24/64/556382464.db2.gz NBJDCMHXKJJFPZ-FQEVSTJZSA-N 1 0 434.540 3.624 50 0 IHAARO C[NH+](C)CCNC(=O)c1ccc(OC2CCN(C(=O)CCC3(C)CC3)CC2)c(Cl)c1 ZINC000011999148 556385356 /nfs/dbraw/zinc/38/53/56/556385356.db2.gz TUDNWUHDYMKLOL-UHFFFAOYSA-N 1 0 435.996 3.582 50 0 IHAARO CN(C(=O)CC[C@H]1CCCN(C(=O)CCCCc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000012051880 556392401 /nfs/dbraw/zinc/39/24/01/556392401.db2.gz PJQKRKLJFCSZMG-HSZRJFAPSA-N 1 0 427.633 3.971 50 0 IHAARO CCOC(=O)c1c2c(sc1NC(=O)CN1CCC[N@H+](Cc3ccccc3)CC1)CCC2 ZINC000022930935 556403878 /nfs/dbraw/zinc/40/38/78/556403878.db2.gz AKKQRXPGXNGXRM-UHFFFAOYSA-N 1 0 441.597 3.560 50 0 IHAARO C[N@H+](CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)Cc1ccccc1 ZINC000032841719 556427284 /nfs/dbraw/zinc/42/72/84/556427284.db2.gz FPMQFQGYHQHFAV-OAQYLSRUSA-N 1 0 427.976 3.831 50 0 IHAARO O=C(CSc1nnc(-c2cccs2)n1C1CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000027977680 556438104 /nfs/dbraw/zinc/43/81/04/556438104.db2.gz RWQDACRHWPDSOT-QGZVFWFLSA-N 1 0 439.610 3.824 50 0 IHAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1OC(F)(F)F)C2 ZINC000014743707 556439909 /nfs/dbraw/zinc/43/99/09/556439909.db2.gz MGCMYWURZFGVCR-MRXNPFEDSA-N 1 0 436.478 3.685 50 0 IHAARO CSC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CCCc1ccncc1)C(=O)N2CCC(C)C ZINC000014744762 556440287 /nfs/dbraw/zinc/44/02/87/556440287.db2.gz KAUSXTLTHPNAPY-FQEVSTJZSA-N 1 0 446.661 3.911 50 0 IHAARO COc1cccc(CN2C(=O)N(CCC(C)C)C3(CC[NH+]([C@@H]4CCSC4)CC3)C2=O)c1 ZINC000014745218 556440697 /nfs/dbraw/zinc/44/06/97/556440697.db2.gz AFROJSOLZPWBGH-HXUWFJFHSA-N 1 0 445.629 3.846 50 0 IHAARO CCn1c(CN2CC[NH+](CC)CC2)nc2cc(NC(=O)COc3ccc(C)cc3)ccc21 ZINC000022936202 556448270 /nfs/dbraw/zinc/44/82/70/556448270.db2.gz COAOSFDVZOLMKS-UHFFFAOYSA-N 1 0 435.572 3.520 50 0 IHAARO C[C@@H](NC(=O)C1CC1)c1nnc2n1CC[N@@H+](Cc1ccc(N(C)c3ccccc3)cc1)CC2 ZINC000014882249 556454078 /nfs/dbraw/zinc/45/40/78/556454078.db2.gz DSLCARDMFCIFDQ-LJQANCHMSA-N 1 0 444.583 3.692 50 0 IHAARO CCOc1cccc(CNC(=O)c2cccc(-c3ccc(N4CC[NH+](C)CC4)nc3)c2)c1 ZINC000064757245 556461386 /nfs/dbraw/zinc/46/13/86/556461386.db2.gz HDIPKMKMQWASSX-UHFFFAOYSA-N 1 0 430.552 3.829 50 0 IHAARO COc1cccc(-c2ccnc(-n3ncc(C(=O)NCC(C)(C)C[NH+](C)C)c3C3CC3)n2)c1 ZINC000014956124 556462277 /nfs/dbraw/zinc/46/22/77/556462277.db2.gz MICSJMPIPWAMGY-UHFFFAOYSA-N 1 0 448.571 3.533 50 0 IHAARO OCCNc1nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc2ccccc21 ZINC000029078382 556466985 /nfs/dbraw/zinc/46/69/85/556466985.db2.gz OMVWOEUKGRDUDN-UHFFFAOYSA-N 1 0 439.563 3.946 50 0 IHAARO COC(=O)c1ccc(-c2cc(Cl)cc3c2O[C@H](CNC(=O)[C@H]2CCC[N@H+](C)C2)C3)cc1 ZINC000014990498 556474819 /nfs/dbraw/zinc/47/48/19/556474819.db2.gz PICGRHHWTZQRLR-PXNSSMCTSA-N 1 0 442.943 3.555 50 0 IHAARO CCc1c(C(=O)N2CCc3c4ccccc4[nH]c3C2)c(=O)cc(C)n1CC[NH+]1CCCCC1 ZINC000015009253 556482897 /nfs/dbraw/zinc/48/28/97/556482897.db2.gz OPNBETPHEIOHDK-UHFFFAOYSA-N 1 0 446.595 3.885 50 0 IHAARO Fc1ccc(-c2csc3ncnc(NC[C@@H]([C@@H]4CCOC4)[NH+]4CCOCC4)c23)cc1 ZINC000029831629 556483527 /nfs/dbraw/zinc/48/35/27/556483527.db2.gz MKWVFBWPDXBBEY-APWZRJJASA-N 1 0 428.533 3.647 50 0 IHAARO FC(F)Oc1ccc(Br)cc1C[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000030636695 556500763 /nfs/dbraw/zinc/50/07/63/556500763.db2.gz FNNPAHAACHTTSX-UHFFFAOYSA-N 1 0 428.277 3.572 50 0 IHAARO CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000032882442 556509088 /nfs/dbraw/zinc/50/90/88/556509088.db2.gz MMSBZFFDZBFJLU-UHFFFAOYSA-N 1 0 449.642 3.695 50 0 IHAARO O=S(=O)(c1ccccc1)N1CCC2(CC1)Nc1cccnc1[NH+]=C2NCc1ccccc1 ZINC000065265667 556522279 /nfs/dbraw/zinc/52/22/79/556522279.db2.gz WIMRBKBYMVWHMB-UHFFFAOYSA-N 1 0 447.564 3.550 50 0 IHAARO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000072309574 556572435 /nfs/dbraw/zinc/57/24/35/556572435.db2.gz UXLGUCLCGGTVPC-RTBURBONSA-N 1 0 433.593 3.506 50 0 IHAARO CC(=O)NCCCCCC(=O)O[C@@H]1CCC[C@@H]1[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000072310693 556576424 /nfs/dbraw/zinc/57/64/24/556576424.db2.gz ANRZWFBCFHVQGE-FCHUYYIVSA-N 1 0 435.996 3.623 50 0 IHAARO CCC[NH+]1CCC(N(C(=O)CCC(=O)NCc2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000016080266 556581953 /nfs/dbraw/zinc/58/19/53/556581953.db2.gz WRBRTBAFHYSUJM-UHFFFAOYSA-N 1 0 439.522 3.967 50 0 IHAARO CCNC(=O)c1ccc(CSc2nc(N3CC[NH+](CC)CC3)cc(C(C)(C)C)n2)cc1 ZINC000036065091 556591999 /nfs/dbraw/zinc/59/19/99/556591999.db2.gz URFJHBOCMYHULH-UHFFFAOYSA-N 1 0 441.645 3.958 50 0 IHAARO Cc1oc(-c2ccc(C)cc2)nc1C[S@@](=O)CC(=O)NCCC[NH+]1CCCCCC1 ZINC000005058063 556628082 /nfs/dbraw/zinc/62/80/82/556628082.db2.gz QTWZLYVCMPNPRU-PMERELPUSA-N 1 0 431.602 3.589 50 0 IHAARO Cc1c2cccc(Cl)c2[nH]c1CN1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000039421406 556628671 /nfs/dbraw/zinc/62/86/71/556628671.db2.gz XMYCBSSSVCUQTD-HXUWFJFHSA-N 1 0 433.040 3.871 50 0 IHAARO CC[C@@H](C)c1ccccc1OCC(=O)Nc1c[nH+]ccc1N1CCN(C(=O)OC)CC1 ZINC000253427739 556697321 /nfs/dbraw/zinc/69/73/21/556697321.db2.gz OBCSEIBAHPQLJU-QGZVFWFLSA-N 1 0 426.517 3.501 50 0 IHAARO CCOc1ccc(C[N@@H+]2CCN(Cc3c[nH]nc3-c3cccc(F)c3)C[C@@H]2CCO)cc1 ZINC000019219097 556713856 /nfs/dbraw/zinc/71/38/56/556713856.db2.gz JDEGIPQGLQEFPK-QHCPKHFHSA-N 1 0 438.547 3.683 50 0 IHAARO CCCN(C(=O)c1ccc(C)c(NS(C)(=O)=O)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000060347641 556717150 /nfs/dbraw/zinc/71/71/50/556717150.db2.gz RUOBJZUOLFCWLP-JOCHJYFZSA-N 1 0 443.613 3.883 50 0 IHAARO O=C(COc1ccccc1Cl)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055119627 556735276 /nfs/dbraw/zinc/73/52/76/556735276.db2.gz GUPPQHOZYUNTRT-FQEVSTJZSA-N 1 0 431.939 3.671 50 0 IHAARO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2NC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000058158811 556763574 /nfs/dbraw/zinc/76/35/74/556763574.db2.gz NAGQDLNGZSWQAK-MOPGFXCFSA-N 1 0 426.483 3.633 50 0 IHAARO O=C(CNc1ccccc1C[NH+]1CCC(CO)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000058327430 556780906 /nfs/dbraw/zinc/78/09/06/556780906.db2.gz MHUYZVNKFMRWQP-UHFFFAOYSA-N 1 0 437.462 3.840 50 0 IHAARO O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCCC1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000058434004 556788179 /nfs/dbraw/zinc/78/81/79/556788179.db2.gz XLHGSNHCQYZHSA-PGRDOPGGSA-N 1 0 446.567 3.967 50 0 IHAARO Cc1cc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000064799785 556826996 /nfs/dbraw/zinc/82/69/96/556826996.db2.gz IBLWLCVBLPWAMA-UHFFFAOYSA-N 1 0 433.478 3.757 50 0 IHAARO COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(C)[nH+]c(N3CCCCC3)n2)CC1 ZINC000065364791 556835639 /nfs/dbraw/zinc/83/56/39/556835639.db2.gz MVSLSFOZLVXILR-UHFFFAOYSA-N 1 0 444.967 3.791 50 0 IHAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc(OC)c(Cn4cncn4)c3)C2)cc1F ZINC000019837335 556928303 /nfs/dbraw/zinc/92/83/03/556928303.db2.gz ADYKQLXREFYNAN-IBGZPJMESA-N 1 0 438.503 3.578 50 0 IHAARO O=C(NCc1nnc2n1CC[N@@H+](Cc1cc3ccccc3s1)CC2)c1cccc(F)c1 ZINC000019939268 556952963 /nfs/dbraw/zinc/95/29/63/556952963.db2.gz IWHTZXCQWKCWTC-UHFFFAOYSA-N 1 0 435.528 3.620 50 0 IHAARO COCc1cc(C[N@@H+]2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)ccc1OC ZINC000020117817 556987044 /nfs/dbraw/zinc/98/70/44/556987044.db2.gz HJKHAHQAZNKBAA-DEOSSOPVSA-N 1 0 427.564 3.767 50 0 IHAARO CCOCCC[N@@H+]1CC[C@H](NCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@H](C)C1 ZINC000097164305 556994463 /nfs/dbraw/zinc/99/44/63/556994463.db2.gz CCMPERODMHCLKH-GCJKJVERSA-N 1 0 448.007 3.943 50 0 IHAARO CC[NH+](CC)CCNc1nc2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CCN(C)C3 ZINC000020358192 557011603 /nfs/dbraw/zinc/01/16/03/557011603.db2.gz OKJVIOCFUHXVAD-UHFFFAOYSA-N 1 0 446.020 3.842 50 0 IHAARO Cc1sc(-c2ccccc2F)nc1C(=O)NCC1([NH+]2CCN(C)CC2)CCCCC1 ZINC000020412628 557014147 /nfs/dbraw/zinc/01/41/47/557014147.db2.gz OSEJBBFDJPFDOD-UHFFFAOYSA-N 1 0 430.593 3.938 50 0 IHAARO CC1(C)CC(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CC(C)(C)[NH2+]1 ZINC000010815268 557029816 /nfs/dbraw/zinc/02/98/16/557029816.db2.gz KEHWAFHDNXUBRH-UHFFFAOYSA-N 1 0 442.025 3.554 50 0 IHAARO CC[NH+](CC)CCCNC(=O)C1CCN(c2cc(C)nc3cc(-c4ccccc4)nn32)CC1 ZINC000033275080 557053593 /nfs/dbraw/zinc/05/35/93/557053593.db2.gz JTGWLHARJPOPHG-UHFFFAOYSA-N 1 0 448.615 3.769 50 0 IHAARO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000048286319 557058441 /nfs/dbraw/zinc/05/84/41/557058441.db2.gz LOHHOWLCEFWUJV-DBXWQHBBSA-N 1 0 449.599 3.532 50 0 IHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccc(CS(C)(=O)=O)cc3)cc2)C1 ZINC000048345525 557071791 /nfs/dbraw/zinc/07/17/91/557071791.db2.gz CGIYGEGRUZOOEC-RTBURBONSA-N 1 0 428.598 3.639 50 0 IHAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(c2nccc3c(C)nn(CC)c32)CC1 ZINC000033299122 557075287 /nfs/dbraw/zinc/07/52/87/557075287.db2.gz NMDDRSOFLZTDHA-NRFANRHFSA-N 1 0 440.636 3.747 50 0 IHAARO CC[N@@H+]1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3cc(C)ccc3C)c(=O)c2C1 ZINC000049400688 557096368 /nfs/dbraw/zinc/09/63/68/557096368.db2.gz WNKFUTXRFKQKDH-UHFFFAOYSA-N 1 0 434.515 3.683 50 0 IHAARO CC[NH+](CC)Cc1nc(=NCC(=O)Nc2ccc(F)c(F)c2)c2c(C)c(C)sc2[nH]1 ZINC000023845649 557120397 /nfs/dbraw/zinc/12/03/97/557120397.db2.gz ZFUOZCFWPDETIZ-UHFFFAOYSA-N 1 0 433.528 3.901 50 0 IHAARO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000023961902 557127975 /nfs/dbraw/zinc/12/79/75/557127975.db2.gz AXPLXPIJOLYTTF-HXUWFJFHSA-N 1 0 434.005 3.570 50 0 IHAARO COc1ccc([C@H](C[NH2+]Cc2ccc(OC)c(Br)c2)N2CCOCC2)cc1 ZINC000025261995 557201502 /nfs/dbraw/zinc/20/15/02/557201502.db2.gz ONZBHKIURXIXTC-FQEVSTJZSA-N 1 0 435.362 3.629 50 0 IHAARO COc1cccc(OC[C@@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000096900481 557206256 /nfs/dbraw/zinc/20/62/56/557206256.db2.gz PVWIREUYHWDOGR-DEOSSOPVSA-N 1 0 432.564 3.842 50 0 IHAARO CC(C)c1ccc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1 ZINC000027662256 557268764 /nfs/dbraw/zinc/26/87/64/557268764.db2.gz PSZQSXLFDQIIEE-HSZRJFAPSA-N 1 0 429.992 3.947 50 0 IHAARO CC(C)c1ccc(OCC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1 ZINC000027662262 557268911 /nfs/dbraw/zinc/26/89/11/557268911.db2.gz PSZQSXLFDQIIEE-QHCPKHFHSA-N 1 0 429.992 3.947 50 0 IHAARO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000027674749 557271203 /nfs/dbraw/zinc/27/12/03/557271203.db2.gz MXODSKFZFFGHJB-SJORKVTESA-N 1 0 440.034 3.672 50 0 IHAARO COc1cc(C[NH2+]CC(C)C)c(Br)cc1OCC(=O)NCc1ccccc1 ZINC000008437952 557276072 /nfs/dbraw/zinc/27/60/72/557276072.db2.gz ZMKXCIXCZHZAII-UHFFFAOYSA-N 1 0 435.362 3.899 50 0 IHAARO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000101344692 557279539 /nfs/dbraw/zinc/27/95/39/557279539.db2.gz WFAMEJVXXNEJOG-OAWZGRKZSA-N 1 0 449.938 3.696 50 0 IHAARO O=C(NCc1ccccc1)C1CCN([C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)CC1 ZINC000101490776 557288251 /nfs/dbraw/zinc/28/82/51/557288251.db2.gz BOUNLRKGYAUTOC-DEOSSOPVSA-N 1 0 441.531 3.500 50 0 IHAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2OC)CN1Cc1ccc(Cl)cc1 ZINC000023363164 557350912 /nfs/dbraw/zinc/35/09/12/557350912.db2.gz WKWZJFRLEFVJKX-SFTDATJTSA-N 1 0 445.991 3.534 50 0 IHAARO CC[NH+]1CCN([C@H](c2ccc(C)cc2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1 ZINC000023478408 557363643 /nfs/dbraw/zinc/36/36/43/557363643.db2.gz AFSMICAXQGELRI-AREMUKBSSA-N 1 0 431.580 3.946 50 0 IHAARO COCCn1c(C)cc(O)c([C@@H](c2ccc(C)cc2)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000024023006 557391463 /nfs/dbraw/zinc/39/14/63/557391463.db2.gz QCVCJESEFGGDQG-AREMUKBSSA-N 1 0 447.579 3.729 50 0 IHAARO CCC[N@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000045974145 557556042 /nfs/dbraw/zinc/55/60/42/557556042.db2.gz MZVDXFLTJRJSPI-UHFFFAOYSA-N 1 0 431.920 3.786 50 0 IHAARO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000225425176 557721920 /nfs/dbraw/zinc/72/19/20/557721920.db2.gz YQIQWAGRBBNPKN-ZLIFDBKOSA-N 1 0 431.346 3.996 50 0 IHAARO CC[C@H]1C[N@H+](Cc2ccccc2)[C@@H](CC)CN1C(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000229750990 557832987 /nfs/dbraw/zinc/83/29/87/557832987.db2.gz KVLQSJKAYDQHFE-ZEQRLZLVSA-N 1 0 440.632 3.816 50 0 IHAARO O=C(C1=C2C(O)N(c3cccc(Cl)c3Cl)C(=O)[C@H]2[C@H]2CCCN12)c1ccccc1 ZINC000229885429 557833711 /nfs/dbraw/zinc/83/37/11/557833711.db2.gz CZLNOORALBDGNW-XZKMEQPCSA-N 1 0 429.303 3.829 50 0 IHAARO CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN1CC[N@@H+]3CCC[C@H]3C1)c1ccccc1CC2 ZINC000001464177 562922081 /nfs/dbraw/zinc/92/20/81/562922081.db2.gz SILYLOYXGKGXTR-QFIPXVFZSA-N 1 0 448.567 3.798 50 0 IHAARO CCOc1ccc(OCC[NH2+]Cc2ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c2)cc1 ZINC000007983981 562948693 /nfs/dbraw/zinc/94/86/93/562948693.db2.gz LVXVJNYELOXGLS-SFHVURJKSA-N 1 0 430.545 3.508 50 0 IHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CN1c2cc(Cl)ccc2Oc2ncccc2C1=O ZINC000008590399 562951626 /nfs/dbraw/zinc/95/16/26/562951626.db2.gz XLDBDHIJYCTTHA-INIZCTEOSA-N 1 0 442.947 3.868 50 0 IHAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cn3c(nnc3-c3cccc(Br)c3)s2)C1 ZINC000008592991 562952492 /nfs/dbraw/zinc/95/24/92/562952492.db2.gz GUXABAWZGZJRGL-AWEZNQCLSA-N 1 0 449.374 3.995 50 0 IHAARO Cc1cc(=O)oc2cc(OCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(Cl)cc12 ZINC000008995474 562966484 /nfs/dbraw/zinc/96/64/84/562966484.db2.gz LIIPLSFUSIQLKM-UHFFFAOYSA-N 1 0 440.927 3.914 50 0 IHAARO CCCn1c2ccccc2c2cnn(CC(=O)NCCC[NH+]3[C@H](C)CCC[C@H]3C)c(=O)c21 ZINC000009153434 562967965 /nfs/dbraw/zinc/96/79/65/562967965.db2.gz NXGXAXBRCLUEFB-RTBURBONSA-N 1 0 437.588 3.530 50 0 IHAARO O=C(CCNC(=O)c1ccc(Br)cc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000015477102 563017879 /nfs/dbraw/zinc/01/78/79/563017879.db2.gz HIMVXJIJTHFASP-SFHVURJKSA-N 1 0 448.361 3.505 50 0 IHAARO CCN(CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1)Cc1ccccc1 ZINC000016483210 563020891 /nfs/dbraw/zinc/02/08/91/563020891.db2.gz HLNXPRVSDUMDPG-UHFFFAOYSA-N 1 0 437.565 3.972 50 0 IHAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)c4cc(OC)cc(OC)c4)ccc3n2)CC1 ZINC000020108600 563023707 /nfs/dbraw/zinc/02/37/07/563023707.db2.gz CJDFEASPARUQMH-UHFFFAOYSA-N 1 0 434.540 3.955 50 0 IHAARO CC[C@@](C)(COc1ncccc1Cl)[NH2+]CC(=O)Nc1ccc(Br)cn1 ZINC000089942112 563180498 /nfs/dbraw/zinc/18/04/98/563180498.db2.gz PZFWQPDLBFVBNM-KRWDZBQOSA-N 1 0 427.730 3.668 50 0 IHAARO COc1ccc(-c2cnc3ncnn3c2N2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1OC ZINC000025142633 568640182 /nfs/dbraw/zinc/64/01/82/568640182.db2.gz MSLAUDDASHHHCF-GOSISDBHSA-N 1 0 444.539 3.692 50 0 IHAARO Cc1ccc(F)c(C[NH2+]C2CCN(c3ccc(C(=O)N4CCC[C@H](O)C4)cc3)CC2)c1F ZINC000299756354 568755476 /nfs/dbraw/zinc/75/54/76/568755476.db2.gz GNWTWJKCMHIKDM-NRFANRHFSA-N 1 0 443.538 3.629 50 0 IHAARO Cc1cccn2cc(CN3C(=O)CC[C@H]3CC[NH2+]Cc3cc4c(cc3Cl)OCO4)nc12 ZINC000299763965 568756273 /nfs/dbraw/zinc/75/62/73/568756273.db2.gz ZOHPRKMUUYZIKV-SFHVURJKSA-N 1 0 440.931 3.696 50 0 IHAARO CC1=C(CC[N@@H+]2C[C@@H](n3cnnn3)C[C@H]2C(=O)NCc2cccs2)C(C)(C)CCC1 ZINC000299782998 568757214 /nfs/dbraw/zinc/75/72/14/568757214.db2.gz XMYAAQZJXAKJSR-PXNSSMCTSA-N 1 0 428.606 3.583 50 0 IHAARO C[NH+]1CCN(c2ccc(NC(=O)c3cc(-c4ccccn4)no3)c(C(F)(F)F)c2)CC1 ZINC000083881696 568784302 /nfs/dbraw/zinc/78/43/02/568784302.db2.gz QDVPXGPHUPRSRJ-UHFFFAOYSA-N 1 0 431.418 3.760 50 0 IHAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000004710617 568788594 /nfs/dbraw/zinc/78/85/94/568788594.db2.gz BBHXAAHRTHPFLA-FQEVSTJZSA-N 1 0 430.980 3.725 50 0 IHAARO O=C(C[NH2+]C1(c2cccc(Br)c2)CCOCC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000084363490 568797356 /nfs/dbraw/zinc/79/73/56/568797356.db2.gz ZNMOMVACSLELCQ-OAHLLOKOSA-N 1 0 449.311 3.845 50 0 IHAARO CC(C)CCO[C@H](C)C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000084510678 568798417 /nfs/dbraw/zinc/79/84/17/568798417.db2.gz LEWJPURUDAWITJ-QGZVFWFLSA-N 1 0 441.410 3.860 50 0 IHAARO O=C(NCCC[NH+]1CCCCCC1)c1cccn1-c1nnc(N2CCCCCC2)s1 ZINC000015671823 568802819 /nfs/dbraw/zinc/80/28/19/568802819.db2.gz CVIUIXVVQXPKOP-UHFFFAOYSA-N 1 0 430.622 3.705 50 0 IHAARO CCOC(=O)c1c(C[NH+]2CCCC2)n(C)c2cc(-c3ccncc3)c3c(c21)CN(C)CO3 ZINC000085393613 568817289 /nfs/dbraw/zinc/81/72/89/568817289.db2.gz LEHBSBODYOEELD-UHFFFAOYSA-N 1 0 434.540 3.795 50 0 IHAARO COc1ccc(-n2nnnc2C2([NH2+]CCc3c[nH]c4ccccc34)CCSCC2)cc1 ZINC000575443728 568869488 /nfs/dbraw/zinc/86/94/88/568869488.db2.gz KVOBUNBNGVEAJH-UHFFFAOYSA-N 1 0 434.569 3.707 50 0 IHAARO COCc1cccc(OCC2(C[NH+]3CCN(Cc4nccn4C(F)F)CC3)CCC2)c1 ZINC000089420362 568924458 /nfs/dbraw/zinc/92/44/58/568924458.db2.gz SLYRNLFWXPGTEU-UHFFFAOYSA-N 1 0 434.531 3.792 50 0 IHAARO Cc1ccc(-c2noc(-c3cccc(S(=O)(=O)NCC[NH+]4CCCCCC4)c3)n2)cc1 ZINC000064747804 568950436 /nfs/dbraw/zinc/95/04/36/568950436.db2.gz KFZMFAFUNNYLCX-UHFFFAOYSA-N 1 0 440.569 3.866 50 0 IHAARO Cc1cccc(-c2nc3cnccn3c2NCCC(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000064758845 568951657 /nfs/dbraw/zinc/95/16/57/568951657.db2.gz HYYHJCRYWZIQTJ-UHFFFAOYSA-N 1 0 446.599 3.984 50 0 IHAARO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146114 568962009 /nfs/dbraw/zinc/96/20/09/568962009.db2.gz HCDJKGOWGZPUDZ-VXKWHMMOSA-N 1 0 446.494 3.664 50 0 IHAARO CCOC[C@H](O)C[N@@H+](Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146346 568962539 /nfs/dbraw/zinc/96/25/39/568962539.db2.gz YEHOHOVGEQICLD-IRLDBZIGSA-N 1 0 432.948 3.741 50 0 IHAARO O=C([C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000064844431 568971760 /nfs/dbraw/zinc/97/17/60/568971760.db2.gz ZVIPCGHTODFXJB-JOCHJYFZSA-N 1 0 433.600 3.837 50 0 IHAARO CCCC[N@H+](C)CCCNC(=O)Nc1sc2nc3n(c(=O)c2c1C)CC[C@H](C)CC3 ZINC000006750179 568972189 /nfs/dbraw/zinc/97/21/89/568972189.db2.gz LCHCYMZUUWKEHI-OAHLLOKOSA-N 1 0 433.622 3.982 50 0 IHAARO COCCC[N@H+](C)C1CCN(C(=O)Cn2c(C)c(C(C)=O)cc2-c2ccccc2)CC1 ZINC000006750614 568972453 /nfs/dbraw/zinc/97/24/53/568972453.db2.gz YCNIWDRFSGACGV-UHFFFAOYSA-N 1 0 425.573 3.625 50 0 IHAARO CC[N@H+](CCNC(=O)C1CCN(c2cc(-c3ccccc3)ncn2)CC1)Cc1ccccc1 ZINC000064872550 568978092 /nfs/dbraw/zinc/97/80/92/568978092.db2.gz LZXBHFOURVNUBS-UHFFFAOYSA-N 1 0 443.595 3.998 50 0 IHAARO Cc1cccc(Cc2c(C)nc(C)nc2N2CC[NH+](C[C@H](O)Cc3ccccc3)CC2)c1 ZINC000036340544 569079034 /nfs/dbraw/zinc/07/90/34/569079034.db2.gz JXWDHCVGARXRHH-RUZDIDTESA-N 1 0 430.596 3.718 50 0 IHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccccc3F)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000036341100 569079160 /nfs/dbraw/zinc/07/91/60/569079160.db2.gz WEEOTSRHDZNXFO-QFIPXVFZSA-N 1 0 428.939 3.794 50 0 IHAARO CN1c2ccccc2[C@]2(Nc3ccccc3C(=O)N2C[C@H](c2ccccc2)[NH+](C)C)C1=O ZINC000036353971 569084087 /nfs/dbraw/zinc/08/40/87/569084087.db2.gz ZUMVUJUNFASJBG-ZEQKJWHPSA-N 1 0 426.520 3.687 50 0 IHAARO COc1cccc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)CC[N@H+](Cc2ccccc2)C3)c1 ZINC000065153599 569112136 /nfs/dbraw/zinc/11/21/36/569112136.db2.gz NTCSXFCEQKNIGW-UHFFFAOYSA-N 1 0 446.551 3.572 50 0 IHAARO CC(C)Oc1ccc(CNC(=O)c2ccc(N3CC[NH2+][C@H](c4ccccc4)C3)nc2)cc1 ZINC000065256201 569123223 /nfs/dbraw/zinc/12/32/23/569123223.db2.gz XACYWYBQBKTZQK-DEOSSOPVSA-N 1 0 430.552 3.950 50 0 IHAARO Cc1cccc(-n2c(CC(=O)N3CC[NH+](C4CCCCC4)CC3)c3[nH]cccc-3c2=O)c1 ZINC000065307559 569132372 /nfs/dbraw/zinc/13/23/72/569132372.db2.gz YUQNHMOGZYZSFC-HSZRJFAPSA-N 1 0 432.568 3.959 50 0 IHAARO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000037207211 569140858 /nfs/dbraw/zinc/14/08/58/569140858.db2.gz UEKVKIUUCNQONB-ZWKOTPCHSA-N 1 0 426.538 3.702 50 0 IHAARO COc1ccc([C@H]([NH2+]CC2(OC)CCOCC2)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000170606852 569144090 /nfs/dbraw/zinc/14/40/90/569144090.db2.gz PGZCZZJPYAIFMH-SFTDATJTSA-N 1 0 434.577 3.921 50 0 IHAARO COc1ccc(Br)c(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000170609712 569144733 /nfs/dbraw/zinc/14/47/33/569144733.db2.gz IMQKRNKITVAVOY-KRWDZBQOSA-N 1 0 448.361 3.736 50 0 IHAARO COc1ccccc1N1CC[NH+](C[C@H](O)COCCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000017112914 569174171 /nfs/dbraw/zinc/17/41/71/569174171.db2.gz VNBQMHNPLUSPSM-QFIPXVFZSA-N 1 0 442.600 3.571 50 0 IHAARO FC(F)(F)c1ccnc(N2CCN(C3CC[NH+](CCOc4ccccc4)CC3)CC2)c1 ZINC000252492553 569187680 /nfs/dbraw/zinc/18/76/80/569187680.db2.gz MPBYWCQDHOHSGY-UHFFFAOYSA-N 1 0 434.506 3.766 50 0 IHAARO C[NH+](C)CCNC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccccc2)cc1 ZINC000037556811 569200713 /nfs/dbraw/zinc/20/07/13/569200713.db2.gz LSXNKYPJSQIHLE-UHFFFAOYSA-N 1 0 433.527 3.893 50 0 IHAARO CC(C)CN1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)c4ccc5cc[nH]c5c4)CC3)C2)CC1 ZINC000581819842 569211562 /nfs/dbraw/zinc/21/15/62/569211562.db2.gz ODJLDBTWQATDKN-HSZRJFAPSA-N 1 0 438.616 3.595 50 0 IHAARO CC(=O)Nc1ccc(S(=O)(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)cc1 ZINC000079108160 569325818 /nfs/dbraw/zinc/32/58/18/569325818.db2.gz UJJNIHCXELWRTH-UHFFFAOYSA-N 1 0 435.977 3.585 50 0 IHAARO COc1ccc(-c2nc(CSCC(=O)NCC[N@@H+]3CCCC[C@@H]3C)c(C)o2)cc1OC ZINC000020241122 569357865 /nfs/dbraw/zinc/35/78/65/569357865.db2.gz SAJXMRCWBFULIX-INIZCTEOSA-N 1 0 447.601 3.891 50 0 IHAARO CC[N@H+](CCC1CCN(C(=O)[C@@H](c2ccccc2F)N2CCOCC2)CC1)CC1CC1 ZINC000095458123 569369051 /nfs/dbraw/zinc/36/90/51/569369051.db2.gz NXHKYOYSNOWUOE-XMMPIXPASA-N 1 0 431.596 3.560 50 0 IHAARO CCOc1ccc(C[C@@H](C[NH2+]Cc2ccccc2OC[C@@H]2CCCO2)C(=O)OC)cc1 ZINC000095467744 569371235 /nfs/dbraw/zinc/37/12/35/569371235.db2.gz PJXUKEBVCJHWAX-GMAHTHKFSA-N 1 0 427.541 3.765 50 0 IHAARO O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](CCc2ccc3c(c2)OCCO3)C1 ZINC000096007810 569379507 /nfs/dbraw/zinc/37/95/07/569379507.db2.gz UXIRVLKDQSZNIU-INIZCTEOSA-N 1 0 446.345 3.509 50 0 IHAARO O=S(=O)(c1cccc(-c2ccc(Cl)cc2)c1)N1CCC([N@H+]2CCC[C@H]2CO)CC1 ZINC000096099767 569381710 /nfs/dbraw/zinc/38/17/10/569381710.db2.gz ZRGQBNYUDUEOKZ-NRFANRHFSA-N 1 0 434.989 3.617 50 0 IHAARO C[NH+](C)[C@@H](CNC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 ZINC000002655962 569415355 /nfs/dbraw/zinc/41/53/55/569415355.db2.gz BESIFJHYILWMDG-FQEVSTJZSA-N 1 0 439.560 3.930 50 0 IHAARO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](CC(C)C)[NH2+][C@]23C(=O)Nc2ccc(F)cc23)c1 ZINC000057122059 569429539 /nfs/dbraw/zinc/42/95/39/569429539.db2.gz MVKQPQCJCGLPGK-MBSHLRGSSA-N 1 0 441.503 3.653 50 0 IHAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3cccc(CS(C)(=O)=O)c3)cc2)C1 ZINC000057586885 569439977 /nfs/dbraw/zinc/43/99/77/569439977.db2.gz AWMIBCHHVNWZIZ-OALUTQOASA-N 1 0 428.598 3.639 50 0 IHAARO CCOc1ccccc1OCC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000058171830 569449637 /nfs/dbraw/zinc/44/96/37/569449637.db2.gz ZGAFCEHAKZZQSM-GOSISDBHSA-N 1 0 429.536 3.623 50 0 IHAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 ZINC000031275958 569455485 /nfs/dbraw/zinc/45/54/85/569455485.db2.gz POUTWMFWFIGIDF-JOCHJYFZSA-N 1 0 431.536 3.673 50 0 IHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1nn(-c2ccccc2)c2c1Cc1cc(OC)c(OC)cc1-2 ZINC000031816174 569457972 /nfs/dbraw/zinc/45/79/72/569457972.db2.gz VKSOLCMJJQHHRB-IBGZPJMESA-N 1 0 446.551 3.675 50 0 IHAARO CC[NH+](CC)[C@@H](CNC(=O)CN1C(=O)CSc2ccccc21)c1ccccc1Cl ZINC000032316750 569461206 /nfs/dbraw/zinc/46/12/06/569461206.db2.gz WPSSOSDNVKTMOL-IBGZPJMESA-N 1 0 431.989 3.978 50 0 IHAARO COc1cc(C[NH2+][C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3cccc(Cl)c3)C2)cc(OC)c1 ZINC000032517907 569461909 /nfs/dbraw/zinc/46/19/09/569461909.db2.gz IGGUDEMCSKXWCI-OFNKIYASSA-N 1 0 445.991 3.615 50 0 IHAARO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NCc3cccnc3)c(=O)cc21 ZINC000008740354 569472817 /nfs/dbraw/zinc/47/28/17/569472817.db2.gz UCAJJBBACQVBBG-FQEVSTJZSA-N 1 0 447.535 3.953 50 0 biogenic IHAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCC(C(=O)c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000008918014 569486164 /nfs/dbraw/zinc/48/61/64/569486164.db2.gz ATJMZTVSABUEJR-ZANUFEDKSA-N 1 0 437.580 3.866 50 0 biogenic IHAARO Cc1occc1C(=O)Nc1nc(CC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)cs1 ZINC000040134044 569490519 /nfs/dbraw/zinc/49/05/19/569490519.db2.gz XLRWRYCKRBCIIJ-LJQANCHMSA-N 1 0 432.590 3.712 50 0 IHAARO COC(=O)c1ccc(N2CCCC2)c(NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000040152267 569493420 /nfs/dbraw/zinc/49/34/20/569493420.db2.gz XMLHDMYJIRYPPC-OAQYLSRUSA-N 1 0 428.508 3.637 50 0 IHAARO C[C@H](CNC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)C[NH+]1CCCCC1 ZINC000040157536 569494313 /nfs/dbraw/zinc/49/43/13/569494313.db2.gz ZQGRVIBRTJOMRZ-DYVFJYSZSA-N 1 0 429.508 3.747 50 0 IHAARO C[C@@H](CNC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)C[NH+]1CCCCC1 ZINC000040157535 569494338 /nfs/dbraw/zinc/49/43/38/569494338.db2.gz ZQGRVIBRTJOMRZ-GUYCJALGSA-N 1 0 429.508 3.747 50 0 IHAARO COc1ccc2c(C)c(CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(=O)oc2c1 ZINC000008994212 569495494 /nfs/dbraw/zinc/49/54/94/569495494.db2.gz WGPJPNARKLDSKB-UHFFFAOYSA-N 1 0 434.536 3.823 50 0 IHAARO COc1ccc(OC)c(NC(=O)c2cnn(-c3ccc(F)cc3F)c2C2CC[NH2+]CC2)c1 ZINC000009227297 569513403 /nfs/dbraw/zinc/51/34/03/569513403.db2.gz LSUSHGBPFHCRJB-UHFFFAOYSA-N 1 0 442.466 3.887 50 0 IHAARO C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000009244409 569515021 /nfs/dbraw/zinc/51/50/21/569515021.db2.gz MQOZARHMCUATMQ-QGZVFWFLSA-N 1 0 447.626 3.521 50 0 IHAARO Cc1c(C(=O)N2CCCCC2)nnn1-c1cccc2c1CC[N@H+](Cc1cccc(F)c1)C2 ZINC000069899379 569523007 /nfs/dbraw/zinc/52/30/07/569523007.db2.gz MCTBUCXNEKUQEI-UHFFFAOYSA-N 1 0 433.531 3.899 50 0 IHAARO O=C(NC[C@H]([C@@H]1CCOC1)[NH+]1CCCC1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000069922995 569523922 /nfs/dbraw/zinc/52/39/22/569523922.db2.gz VGUXDHGVXTYXJK-OXQOHEQNSA-N 1 0 440.510 3.928 50 0 IHAARO Cc1c(C(=O)NC2CCC(C)CC2)nnn1-c1cccc2c1CC[N@H+](Cc1ccncc1)C2 ZINC000069966718 569525821 /nfs/dbraw/zinc/52/58/21/569525821.db2.gz JIIYIIVMIGGTJU-UHFFFAOYSA-N 1 0 444.583 3.838 50 0 IHAARO COc1ccc([C@@H](CNC(=O)C[C@H]2Sc3ccccc3NC2=O)[NH+]2CCCCC2)cc1 ZINC000009593839 569550455 /nfs/dbraw/zinc/55/04/55/569550455.db2.gz DNTPXIOEQBRZRW-IFMALSPDSA-N 1 0 439.581 3.842 50 0 IHAARO CSCC[C@H](NC(=O)C1CCC(C)CC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000009673270 569558897 /nfs/dbraw/zinc/55/88/97/569558897.db2.gz PHCNLNDAHMZJTB-IRSIHTCSSA-N 1 0 445.673 3.831 50 0 IHAARO CC[NH+](CC)CCCn1c2c(c(SCC(=O)Nc3ccc(Cl)cc3)nc1=O)CCC2 ZINC000009746153 569565693 /nfs/dbraw/zinc/56/56/93/569565693.db2.gz HUNIWAQFENMLAM-UHFFFAOYSA-N 1 0 449.020 3.848 50 0 IHAARO O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000009783461 569567816 /nfs/dbraw/zinc/56/78/16/569567816.db2.gz GIDLZNNWZHGJMQ-HXUWFJFHSA-N 1 0 444.560 3.516 50 0 IHAARO CSCC[C@@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)[C@]2([NH2+]1)C(=O)Nc1ccc(Cl)cc12 ZINC000071333835 569575674 /nfs/dbraw/zinc/57/56/74/569575674.db2.gz JOHRRPUZINTVMC-KUDFPVQQSA-N 1 0 433.936 3.996 50 0 IHAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(C(=O)Nc3ccc4c(c3)OCO4)C2)cc1OC ZINC000039489688 569586892 /nfs/dbraw/zinc/58/68/92/569586892.db2.gz VGFNABJRSOVLHS-IBGZPJMESA-N 1 0 441.528 3.603 50 0 IHAARO C[C@H]1CC[C@@H]2[N@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5C[C@@H](O)CC[C@]45C)[C@@H]3CC[C@H]1[C@]2(C)O ZINC000008214406 291373018 /nfs/dbraw/zinc/37/30/18/291373018.db2.gz IQDIERHFZVCNRZ-LRCDAWNTSA-N 1 0 429.645 3.886 50 0 biogenic,in-vitro IHAARO CCc1nc2ccc(C(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)cc2nc1CC ZINC000009529798 132320693 /nfs/dbraw/zinc/32/06/93/132320693.db2.gz IGVDXOCVFAZDBF-UHFFFAOYSA-N 1 0 449.574 3.836 50 0 IHAARO CCOC(=O)c1ccc(NC(=S)NCCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000009601086 132322886 /nfs/dbraw/zinc/32/28/86/132322886.db2.gz WGDZZDMBNRNQHG-UHFFFAOYSA-N 1 0 444.576 3.501 50 0 IHAARO CC(C)Cc1nnc(C(=O)Nc2ccc(C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)cc2)s1 ZINC000033011331 519465247 /nfs/dbraw/zinc/46/52/47/519465247.db2.gz NPLRQPZATPZBEU-QGZVFWFLSA-N 1 0 443.617 3.841 50 0 IHAARO CC(C)[N@H+](C)C1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)CC1 ZINC000020978025 519606541 /nfs/dbraw/zinc/60/65/41/519606541.db2.gz XEFCZTWHUFUIKK-UHFFFAOYSA-N 1 0 437.509 3.915 50 0 IHAARO CC(C)c1c(C(=O)N(C)C2CC[NH+](C)CC2)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000012149831 519830640 /nfs/dbraw/zinc/83/06/40/519830640.db2.gz OMRBRRFMVDIXNL-UHFFFAOYSA-N 1 0 436.535 3.758 50 0 IHAARO CCOC(=O)C1CC[NH+]([C@H](c2ccc(SC)cc2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000022697252 520583422 /nfs/dbraw/zinc/58/34/22/520583422.db2.gz YJPMJEXRJRODEC-JOCHJYFZSA-N 1 0 444.597 3.969 50 0 IHAARO CC[N@H+](CCCNC(=O)c1cn2c3c(ccc(Cl)c3c1=O)OCC2)Cc1ccccc1 ZINC000020926986 521022499 /nfs/dbraw/zinc/02/24/99/521022499.db2.gz RURWAXIAUZQSOR-UHFFFAOYSA-N 1 0 439.943 3.689 50 0 IHAARO CCOC(=O)[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3cn(C)c4ccc(Cl)cc34)CC2)C1 ZINC000021711230 521101927 /nfs/dbraw/zinc/10/19/27/521101927.db2.gz SRYYXVDYUJCOAX-GOSISDBHSA-N 1 0 445.991 3.845 50 0 IHAARO CCOC(=O)[C@@]1(CCc2ccccc2)CCC[N@H+](Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000012581141 521181127 /nfs/dbraw/zinc/18/11/27/521181127.db2.gz DSFVTXRNXYHMOT-AREMUKBSSA-N 1 0 435.568 3.994 50 0 IHAARO CCOc1ccc2nc(N3CCC[C@@H]([NH+]4CCC(OCCOC)CC4)CC3)nc(C)c2c1 ZINC000011880722 521303575 /nfs/dbraw/zinc/30/35/75/521303575.db2.gz INCLOWNXKKQPMX-HXUWFJFHSA-N 1 0 442.604 3.823 50 0 IHAARO COc1c(C)cc(C(=O)[C@H]2CCC[N@H+](Cc3cn(CC(N)=O)c4ccccc34)C2)cc1C ZINC000020859649 521790665 /nfs/dbraw/zinc/79/06/65/521790665.db2.gz DKZPPDWHCLETQV-IBGZPJMESA-N 1 0 433.552 3.847 50 0 IHAARO COc1cc(Br)c(CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000020903609 522022368 /nfs/dbraw/zinc/02/23/68/522022368.db2.gz NJVHNQGDZMWTCK-UHFFFAOYSA-N 1 0 447.373 3.790 50 0 IHAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 ZINC000012381186 522081458 /nfs/dbraw/zinc/08/14/58/522081458.db2.gz QIXRUZDEJBCARP-UHFFFAOYSA-N 1 0 445.947 3.675 50 0 IHAARO COc1cc(C[NH+]2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)cc2c1OCO2 ZINC000012433071 522369529 /nfs/dbraw/zinc/36/95/29/522369529.db2.gz MDJUPBXINYXQIP-UHFFFAOYSA-N 1 0 448.523 3.639 50 0 IHAARO COc1cc(NC(=O)Nc2ccc3nc(N4CC[NH+](C)CC4)cc(C)c3c2)cc(OC)c1 ZINC000020574583 522703714 /nfs/dbraw/zinc/70/37/14/522703714.db2.gz QEHXHLJRNZEMOG-UHFFFAOYSA-N 1 0 435.528 3.956 50 0 IHAARO C[N@H+](CCCNC(=O)CN1c2ccccc2-n2cccc2SCC1=O)Cc1ccccc1 ZINC000021088677 522755933 /nfs/dbraw/zinc/75/59/33/522755933.db2.gz QFGBMEKBQNEASZ-UHFFFAOYSA-N 1 0 448.592 3.554 50 0 IHAARO Cn1c(C(=O)N2CCC(C(=O)NCCC[N@H+](C)C3CCCCC3)CC2)cc2sccc21 ZINC000020862015 522756846 /nfs/dbraw/zinc/75/68/46/522756846.db2.gz KRQFMPBUROFSRR-UHFFFAOYSA-N 1 0 444.645 3.863 50 0 IHAARO C[N@H+](CCCNC(=O)c1cccn1-c1nnc(N2CCCCC2)s1)C1CCCCC1 ZINC000021535488 522768740 /nfs/dbraw/zinc/76/87/40/522768740.db2.gz JYICJXXPMPJWJD-UHFFFAOYSA-N 1 0 430.622 3.704 50 0 IHAARO COCCC(=O)N[C@@H](C)c1nnc2n1CC[N@@H+](Cc1ccc(-c3ccccc3C)cc1)CC2 ZINC000020913573 522954603 /nfs/dbraw/zinc/95/46/03/522954603.db2.gz IUDWPERKMMWEMY-FQEVSTJZSA-N 1 0 447.583 3.526 50 0 IHAARO CN(CCc1ccccn1)C(=O)CC[C@@H]1CCC[N@H+](Cc2cccn2-c2cccnc2)C1 ZINC000012320663 522958833 /nfs/dbraw/zinc/95/88/33/522958833.db2.gz UXKCPFWRSLIUIR-QFIPXVFZSA-N 1 0 431.584 3.961 50 0 IHAARO COCc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)o1 ZINC000012581985 522971852 /nfs/dbraw/zinc/97/18/52/522971852.db2.gz MMOAMGIEZZQQCB-GOSISDBHSA-N 1 0 430.545 3.752 50 0 IHAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCCC3 ZINC000021352180 523168346 /nfs/dbraw/zinc/16/83/46/523168346.db2.gz MMAHQEOVTDMSTL-QGZVFWFLSA-N 1 0 444.645 3.957 50 0 IHAARO COc1ccc(-n2nc3nc(N4CC[NH+](C(C)C)CC4)nc(-c4ccccc4)c3c2N)cc1 ZINC000035929490 523349550 /nfs/dbraw/zinc/34/95/50/523349550.db2.gz HXPVTYKIXDTGJS-UHFFFAOYSA-N 1 0 443.555 3.604 50 0 IHAARO CC[C@@H]1Oc2ccccc2N(CC(=O)NCCC[NH+]2CCC(Cc3ccccc3)CC2)C1=O ZINC000020687251 523606756 /nfs/dbraw/zinc/60/67/56/523606756.db2.gz LFACPZYLUSLMHQ-DEOSSOPVSA-N 1 0 449.595 3.652 50 0 IHAARO CCc1cc(N2CC[NH+](CC)CC2)nc(SCc2cccc(C(=O)NCC3CC3)c2)n1 ZINC000036038487 523795217 /nfs/dbraw/zinc/79/52/17/523795217.db2.gz CXTNHGDCSRLNOJ-UHFFFAOYSA-N 1 0 439.629 3.613 50 0 IHAARO COc1ccc(C2=NC3(CC[NH+](C)CC3)N=C2SCC(=O)Nc2ccc(F)cc2)cc1 ZINC000035372688 523873469 /nfs/dbraw/zinc/87/34/69/523873469.db2.gz UPMYGHHYVURNSO-UHFFFAOYSA-N 1 0 440.544 3.829 50 0 IHAARO C[NH+]1CCN([C@@H](CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)c2ccsc2)CC1 ZINC000022767214 523918022 /nfs/dbraw/zinc/91/80/22/523918022.db2.gz GEFKBJSPHUDPGM-QHCPKHFHSA-N 1 0 441.622 3.682 50 0 IHAARO C[NH+](C)CCN(C(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1nc2ccc(Cl)cc2s1 ZINC000022664357 524059142 /nfs/dbraw/zinc/05/91/42/524059142.db2.gz XRVUTNJUHDWMOG-HNNXBMFYSA-N 1 0 442.972 3.897 50 0 IHAARO Cc1cccc(-c2cnc(N3CCC(C(=O)NCCC[NH+]4CCC(C)CC4)CC3)nc2)c1 ZINC000035455226 524109881 /nfs/dbraw/zinc/10/98/81/524109881.db2.gz IAUQMROPSBCAAN-UHFFFAOYSA-N 1 0 435.616 3.907 50 0 IHAARO Cc1cccc(-c2ccc(N3CCC[C@H](C(=O)NCCC[NH+]4CCC(C)CC4)C3)nn2)c1 ZINC000035398266 524111107 /nfs/dbraw/zinc/11/11/07/524111107.db2.gz YOIRCPFXKHAUHC-QHCPKHFHSA-N 1 0 435.616 3.907 50 0 IHAARO Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC3CC[NH+](C(C)C)CC3)cc2)c1 ZINC000012525895 524195967 /nfs/dbraw/zinc/19/59/67/524195967.db2.gz UHPONGUCFCQZOT-UHFFFAOYSA-N 1 0 429.586 3.707 50 0 IHAARO COc1ccc(Cl)cc1N1C(=O)[C@@H]2C[C@H]1CN2C1CC[NH+](CCc2ccccc2)CC1 ZINC000011909045 524216388 /nfs/dbraw/zinc/21/63/88/524216388.db2.gz YBQLUAJONBVKMD-GMAHTHKFSA-N 1 0 439.987 3.845 50 0 IHAARO Cc1cc(C)cc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)c1 ZINC000020782119 524383985 /nfs/dbraw/zinc/38/39/85/524383985.db2.gz SNIQEMCFNDJKCO-OAQYLSRUSA-N 1 0 431.584 3.763 50 0 IHAARO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)CCCc3cccs3)C2)CC1 ZINC000020535459 524560336 /nfs/dbraw/zinc/56/03/36/524560336.db2.gz SJWRUSXCRHYMCI-HXUWFJFHSA-N 1 0 427.614 3.893 50 0 IHAARO COc1ccc(NC(=O)[C@@H](C)N2CCC(C(=O)NCc3ccccc3)CC2)cc1Cl ZINC000012816670 524581335 /nfs/dbraw/zinc/58/13/35/524581335.db2.gz RGWMLMPYGGXSNE-MRXNPFEDSA-N 1 0 429.948 3.704 50 0 IHAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2ccc3n[nH]nc3c2)CC1 ZINC000012301996 525134402 /nfs/dbraw/zinc/13/44/02/525134402.db2.gz PPPMEMRTDKFSFX-QHCPKHFHSA-N 1 0 447.583 3.800 50 0 IHAARO Cc1ccccc1Cn1cc(CCC(=O)NCCCN2CC[NH+](C)CC2)c2ccccc21 ZINC000021527975 525210725 /nfs/dbraw/zinc/21/07/25/525210725.db2.gz DJTJXRPUXCSCFE-UHFFFAOYSA-N 1 0 432.612 3.684 50 0 IHAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]1[C@H](C(=O)NCCC(C)C)C2 ZINC000035911157 525551361 /nfs/dbraw/zinc/55/13/61/525551361.db2.gz AXKNWRFWJZUYRW-ILBGXUMGSA-N 1 0 439.575 3.860 50 0 IHAARO Cc1c(C(=O)NCCC[NH+]2[C@H](C)CCC[C@H]2C)sc2nc3n(c(=O)c12)CCCCC3 ZINC000020902326 525608853 /nfs/dbraw/zinc/60/88/53/525608853.db2.gz PYUPMCOGYRCAGM-HZPDHXFCSA-N 1 0 430.618 3.876 50 0 IHAARO Cc1ccn2cc(CN3C(=O)CC[C@H]3CC[NH2+]Cc3cc4c(cc3Cl)OCO4)nc2c1 ZINC000012151228 525617192 /nfs/dbraw/zinc/61/71/92/525617192.db2.gz UCBSNDRCKQXINL-SFHVURJKSA-N 1 0 440.931 3.696 50 0 IHAARO Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(CC[NH+]2CCCC2)C3=O)o1 ZINC000021811868 525618207 /nfs/dbraw/zinc/61/82/07/525618207.db2.gz CRBGZYHPGZEXSI-VWLOTQADSA-N 1 0 440.588 3.692 50 0 IHAARO Cc1ccnc(N2CCC(C(=O)NCC3CC[NH+](Cc4ccc(Cl)cc4)CC3)CC2)n1 ZINC000035454459 525665765 /nfs/dbraw/zinc/66/57/65/525665765.db2.gz CQBMILLNHGUSID-UHFFFAOYSA-N 1 0 442.007 3.683 50 0 IHAARO Cc1c(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000023243009 525704185 /nfs/dbraw/zinc/70/41/85/525704185.db2.gz TWCSZWPHPHTDJV-UHFFFAOYSA-N 1 0 430.474 3.825 50 0 IHAARO COc1cccc(-c2nn(-c3ccccc3)cc2CN2CCC([N@@H+]3CCC[C@H](O)C3)CC2)c1 ZINC000020454809 525728186 /nfs/dbraw/zinc/72/81/86/525728186.db2.gz MLDKYYQTOXJGRI-VWLOTQADSA-N 1 0 446.595 3.969 50 0 IHAARO O=C(CC1CCN(C(=O)Nc2ccccc2)CC1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000035528945 526365048 /nfs/dbraw/zinc/36/50/48/526365048.db2.gz ZTTIYKWLMQFXFJ-UHFFFAOYSA-N 1 0 434.584 3.885 50 0 IHAARO Cc1nnsc1C(=O)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000012386737 526440185 /nfs/dbraw/zinc/44/01/85/526440185.db2.gz MECXNSDXRSXTET-OAQYLSRUSA-N 1 0 428.602 3.688 50 0 IHAARO O=C(CCS[C@H]1CCc2ccccc2NC1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000020718300 526539544 /nfs/dbraw/zinc/53/95/44/526539544.db2.gz HUWCNQGMJITWDY-QHCPKHFHSA-N 1 0 437.609 3.844 50 0 IHAARO O=C(CC[C@]1(Cc2ccsc2)CCC(=O)N1)NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000012159936 526576697 /nfs/dbraw/zinc/57/66/97/526576697.db2.gz XRBQKRAVTGVJJZ-XUZZJYLKSA-N 1 0 443.588 3.812 50 0 IHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000022751436 526580339 /nfs/dbraw/zinc/58/03/39/526580339.db2.gz SKKBPTGDORZDMR-OAQYLSRUSA-N 1 0 434.540 3.673 50 0 IHAARO O=C(c1ccc(N2CCC([NH2+]Cc3cccc(F)c3F)CC2)cc1)N1CCC[C@@H](CO)C1 ZINC000012162458 526698126 /nfs/dbraw/zinc/69/81/26/526698126.db2.gz HZRIVVRJNILXNF-GOSISDBHSA-N 1 0 443.538 3.568 50 0 IHAARO O=C(CN1CCN(Cc2ccc(Cl)s2)CC1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000022801402 526773364 /nfs/dbraw/zinc/77/33/64/526773364.db2.gz QWFVFEVTRFCPHC-UHFFFAOYSA-N 1 0 433.021 3.754 50 0 IHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)c(-n2nnc3cccnc32)c1 ZINC000035422216 527531198 /nfs/dbraw/zinc/53/11/98/527531198.db2.gz YQVUMKHSPVZTMV-UHFFFAOYSA-N 1 0 446.942 3.863 50 0 IHAARO Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012705446 527540492 /nfs/dbraw/zinc/54/04/92/527540492.db2.gz PQHBGNOYRJKECW-HSZRJFAPSA-N 1 0 428.580 3.780 50 0 IHAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000012581410 527664686 /nfs/dbraw/zinc/66/46/86/527664686.db2.gz WCWMUZPMKRHLEE-UHFFFAOYSA-N 1 0 435.977 3.747 50 0 IHAARO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1csc(-c2ccncc2)n1 ZINC000035512075 527667715 /nfs/dbraw/zinc/66/77/15/527667715.db2.gz VSAYVKSDAQGIKG-UHFFFAOYSA-N 1 0 441.988 3.801 50 0 IHAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(Br)cc1F ZINC000020889958 527667908 /nfs/dbraw/zinc/66/79/08/527667908.db2.gz KQGQCRRFXJJUKT-UHFFFAOYSA-N 1 0 435.341 3.922 50 0 IHAARO C[C@]1(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1(Br)Br ZINC000008720904 556202822 /nfs/dbraw/zinc/20/28/22/556202822.db2.gz QNCNSSXTPLIVSW-MRXNPFEDSA-N 1 0 430.184 3.663 50 0 IHAARO CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000032761182 556331574 /nfs/dbraw/zinc/33/15/74/556331574.db2.gz XRHLUPSXIAEYEM-FXAWDEMLSA-N 1 0 435.540 3.734 50 0 IHAARO CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000032761183 556331589 /nfs/dbraw/zinc/33/15/89/556331589.db2.gz XRHLUPSXIAEYEM-PXNSSMCTSA-N 1 0 435.540 3.734 50 0 IHAARO O=C(c1nc2ccccn2c1C[NH2+][C@H](CCn1ccnc1)c1ccccc1)N1CCCC1 ZINC000011819168 556361047 /nfs/dbraw/zinc/36/10/47/556361047.db2.gz UIKIQPAEPWFVOY-OAQYLSRUSA-N 1 0 428.540 3.688 50 0 IHAARO COc1cc(OC)cc(C(=O)NC[C@@H]2CCC3(CC[NH+](Cc4ccccc4F)CC3)O2)c1 ZINC000011839366 556364122 /nfs/dbraw/zinc/36/41/22/556364122.db2.gz SEGRTPDOLDVHEL-FQEVSTJZSA-N 1 0 442.531 3.787 50 0 IHAARO Cc1nc(C(=O)NC[C@H]2CCC3(CC[NH+](Cc4ccc5cccnc5c4)CC3)O2)cs1 ZINC000011840430 556364669 /nfs/dbraw/zinc/36/46/69/556364669.db2.gz WLZFWGSYMWVXQF-HXUWFJFHSA-N 1 0 436.581 3.943 50 0 IHAARO C[C@@H](Cc1cnccn1)NC(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000011841437 556365195 /nfs/dbraw/zinc/36/51/95/556365195.db2.gz QOVVXTRSQHBYTG-NRFANRHFSA-N 1 0 444.579 3.924 50 0 IHAARO COc1cccc(CCNC(=O)c2ccc(OC)c(OC3CC[NH+](C(C)C)CC3)c2)c1 ZINC000011873369 556369921 /nfs/dbraw/zinc/36/99/21/556369921.db2.gz CGVJXRYRBBFFGH-UHFFFAOYSA-N 1 0 426.557 3.928 50 0 IHAARO COCCN(Cc1nc2ccccc2n1C)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011936288 556378607 /nfs/dbraw/zinc/37/86/07/556378607.db2.gz UGYNNHVLDNMQLM-OAQYLSRUSA-N 1 0 432.612 3.901 50 0 IHAARO Cn1nccc1C(=O)NC[C@H]1CCC2(CC[NH+](Cc3ccccc3-c3ccco3)CC2)O1 ZINC000011970660 556382560 /nfs/dbraw/zinc/38/25/60/556382560.db2.gz NBJDCMHXKJJFPZ-HXUWFJFHSA-N 1 0 434.540 3.624 50 0 IHAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000014183900 556383772 /nfs/dbraw/zinc/38/37/72/556383772.db2.gz MPCSSAKMZGHJRK-UHFFFAOYSA-N 1 0 437.559 3.980 50 0 IHAARO Cc1noc(C)c1CC(=O)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012020889 556386568 /nfs/dbraw/zinc/38/65/68/556386568.db2.gz VNLBYVLMUHLEFH-JOCHJYFZSA-N 1 0 443.563 3.893 50 0 IHAARO Cc1noc(C)c1CC(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012020880 556386582 /nfs/dbraw/zinc/38/65/82/556386582.db2.gz VNLBYVLMUHLEFH-QFIPXVFZSA-N 1 0 443.563 3.893 50 0 IHAARO COCCNC(=O)c1cccc(OC2CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)c1 ZINC000012075718 556397491 /nfs/dbraw/zinc/39/74/91/556397491.db2.gz HARJHYFWSFGVDX-UHFFFAOYSA-N 1 0 434.483 3.708 50 0 IHAARO CN1CCC([NH+]2CCC(Oc3cccc(C(=O)NCc4ccccc4F)c3)CC2)CC1 ZINC000012075830 556397568 /nfs/dbraw/zinc/39/75/68/556397568.db2.gz OIZQWMKTUXLUKX-UHFFFAOYSA-N 1 0 425.548 3.693 50 0 IHAARO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)CCCc3nnc(-c4ccccc4)o3)cc2)C[C@H](C)O1 ZINC000032665577 556417061 /nfs/dbraw/zinc/41/70/61/556417061.db2.gz MNTNQUDCFHNEAB-BGYRXZFFSA-N 1 0 448.567 3.985 50 0 IHAARO COc1ccccc1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@H+](CC(C)C)C1 ZINC000014538321 556424398 /nfs/dbraw/zinc/42/43/98/556424398.db2.gz WIXWRFQYGPSSIU-VQTJNVASSA-N 1 0 441.547 3.683 50 0 IHAARO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[NH2+][C@H](C)c1cccc2ccccc21 ZINC000012986764 556427116 /nfs/dbraw/zinc/42/71/16/556427116.db2.gz GYYGSIPXACFLGY-QGZVFWFLSA-N 1 0 425.554 3.688 50 0 IHAARO O=C1N(Cc2ccccn2)C(=O)C2(CC[NH+](Cc3ccoc3)CC2)N1CCc1ccccc1 ZINC000014740564 556438519 /nfs/dbraw/zinc/43/85/19/556438519.db2.gz IRIRBRJMNZHSBN-UHFFFAOYSA-N 1 0 444.535 3.716 50 0 IHAARO CC(C)CCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1cccc(O)c1)CC2 ZINC000014749635 556442985 /nfs/dbraw/zinc/44/29/85/556442985.db2.gz YROWOMQFBWJVBI-UHFFFAOYSA-N 1 0 436.556 3.632 50 0 IHAARO COc1ccc(CCN2C(=O)N(C(C)C)C(=O)C23CC[NH+](CCc2ccccc2)CC3)cc1 ZINC000014749830 556443015 /nfs/dbraw/zinc/44/30/15/556443015.db2.gz ZTLWQQAPPUGPOV-UHFFFAOYSA-N 1 0 449.595 3.988 50 0 IHAARO Cc1c(C(=O)N(C)C2CC[NH+](C)CC2)cnn1-c1nccc(-c2cc3ccccc3o2)n1 ZINC000014884592 556454709 /nfs/dbraw/zinc/45/47/09/556454709.db2.gz LECPVZHWKPSYPD-UHFFFAOYSA-N 1 0 430.512 3.550 50 0 IHAARO COCCNC(=O)c1ccc(OC2CC[NH+](C[C@H]3CCOC(C)(C)C3)CC2)c(Cl)c1 ZINC000014955296 556461920 /nfs/dbraw/zinc/46/19/20/556461920.db2.gz RBDRSSKWIYFRBC-KRWDZBQOSA-N 1 0 438.996 3.765 50 0 IHAARO Cc1cnc(C[NH2+][C@@H]2CCc3c(sc4ncn(CCCc5ccccc5)c(=O)c43)C2)cn1 ZINC000014955089 556462001 /nfs/dbraw/zinc/46/20/01/556462001.db2.gz BWCKNVZMBQVXLA-LJQANCHMSA-N 1 0 445.592 3.836 50 0 IHAARO O=C(NC[C@@H]1CCCO1)c1cc2cc(C3(O)CC[NH+](Cc4ccccc4)CC3)ccc2o1 ZINC000014956857 556462767 /nfs/dbraw/zinc/46/27/67/556462767.db2.gz QFHFQOSYNQBRBJ-QFIPXVFZSA-N 1 0 434.536 3.825 50 0 IHAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(C)c4C)C3)c(C)c2)CC1 ZINC000029374104 556473693 /nfs/dbraw/zinc/47/36/93/556473693.db2.gz WIQWTLZQEMYJFS-NRFANRHFSA-N 1 0 434.584 3.745 50 0 IHAARO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCC([C@@H](C)[NH+]2CCOCC2)CC1 ZINC000015077727 556499882 /nfs/dbraw/zinc/49/98/82/556499882.db2.gz RNLMYWQICYBEFT-OAHLLOKOSA-N 1 0 447.963 3.965 50 0 IHAARO C[N@H+](Cc1ccccc1NCC(=O)Nc1ccccc1S(C)(=O)=O)C1CCCCC1 ZINC000015322865 556521005 /nfs/dbraw/zinc/52/10/05/556521005.db2.gz OOLAGTDZTKMERX-UHFFFAOYSA-N 1 0 429.586 3.905 50 0 IHAARO CCn1c2ccc(C(=O)Nc3ccccc3C[N@H+](C)C3CCCCC3)cc2[nH]c(=O)c1=O ZINC000032900661 556529745 /nfs/dbraw/zinc/52/97/45/556529745.db2.gz RILOVSYSPHJRPX-UHFFFAOYSA-N 1 0 434.540 3.727 50 0 IHAARO COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1 ZINC000015518421 556532926 /nfs/dbraw/zinc/53/29/26/556532926.db2.gz HUFHEAFSAFLGMA-IBGZPJMESA-N 1 0 441.919 3.714 50 0 IHAARO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016010326 556573933 /nfs/dbraw/zinc/57/39/33/556573933.db2.gz HZYCSTGPMZDQJH-UGCAPWQASA-N 1 0 449.938 3.642 50 0 IHAARO C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000016045384 556579229 /nfs/dbraw/zinc/57/92/29/556579229.db2.gz ZWJFFQSEQWJLSV-HNNXBMFYSA-N 1 0 433.474 3.502 50 0 IHAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000016189143 556588457 /nfs/dbraw/zinc/58/84/57/556588457.db2.gz KSJPMGOCCPAJJI-UHFFFAOYSA-N 1 0 443.547 3.996 50 0 IHAARO CC[NH+]1CCN(CCCNC(=O)CCc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000032975056 556597555 /nfs/dbraw/zinc/59/75/55/556597555.db2.gz YNCFZADAUVKAKS-UHFFFAOYSA-N 1 0 445.611 3.616 50 0 IHAARO O=C(NCCC[NH+]1CCCC1)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(Cl)cc1)O2 ZINC000032983608 556603466 /nfs/dbraw/zinc/60/34/66/556603466.db2.gz LXHUMBNRTAXIMY-KGENOOAVSA-N 1 0 425.916 3.928 50 0 IHAARO C[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C(=O)CNC(=O)/C=C/c2cccc(Cl)c2)CC1 ZINC000005057783 556628035 /nfs/dbraw/zinc/62/80/35/556628035.db2.gz HFXXTNQBBOELEE-GPBNEQGLSA-N 1 0 432.008 3.971 50 0 IHAARO CCOc1ccc2nc(N3CCC[C@H](C(=O)NCCC[NH+]4CCCCC4)C3)sc2c1 ZINC000005106165 556635393 /nfs/dbraw/zinc/63/53/93/556635393.db2.gz SYXRVWBAJTYQCF-SFHVURJKSA-N 1 0 430.618 3.904 50 0 IHAARO Cc1nc2ccccc2n(CCC(=O)NCCC[NH+]2CCC(Cc3ccccc3)CC2)c1=O ZINC000033005275 556654774 /nfs/dbraw/zinc/65/47/74/556654774.db2.gz PICPMESNYKVVMF-UHFFFAOYSA-N 1 0 446.595 3.556 50 0 IHAARO CCCc1nnc(C(=O)Nc2ccc(C(=O)NCCC[NH+]3CCCCCC3)cc2)s1 ZINC000033011195 556659134 /nfs/dbraw/zinc/65/91/34/556659134.db2.gz OGCVCDHHZXQXDE-UHFFFAOYSA-N 1 0 429.590 3.739 50 0 IHAARO CCCc1nnc(C(=O)Nc2cccc(C(=O)NCC[N@H+](C)C3CCCCC3)c2)s1 ZINC000033022792 556687950 /nfs/dbraw/zinc/68/79/50/556687950.db2.gz JEEZLXJETPBFLF-UHFFFAOYSA-N 1 0 429.590 3.737 50 0 IHAARO O=C(c1nc2ccc(Cl)cn2c1C[NH2+]CCc1cnccn1)N1CCCCCCC1 ZINC000019226871 556716913 /nfs/dbraw/zinc/71/69/13/556716913.db2.gz PSLLTLCEVVRUQF-UHFFFAOYSA-N 1 0 426.952 3.516 50 0 IHAARO O=C(CCc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2cccc3nonc32)CC1 ZINC000055120448 556735347 /nfs/dbraw/zinc/73/53/47/556735347.db2.gz JPVQERLFTGNYEN-UHFFFAOYSA-N 1 0 430.512 3.828 50 0 IHAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)c3cccc(-n4cccn4)c3)C2)CC1 ZINC000055245365 556738626 /nfs/dbraw/zinc/73/86/26/556738626.db2.gz RKRAKASUXWBVIL-XMMPIXPASA-N 1 0 429.568 3.608 50 0 IHAARO COc1cc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)c2ccccc2n1 ZINC000055383927 556740875 /nfs/dbraw/zinc/74/08/75/556740875.db2.gz IYMSHHGPROEBOX-OAQYLSRUSA-N 1 0 430.552 3.670 50 0 IHAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000010653108 556745410 /nfs/dbraw/zinc/74/54/10/556745410.db2.gz HSCIOJUMQGNFQX-UHFFFAOYSA-N 1 0 426.517 3.656 50 0 IHAARO C[C@@H](C(=O)Nc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1)n1cccn1 ZINC000072015527 556747751 /nfs/dbraw/zinc/74/77/51/556747751.db2.gz GJNUKAMJWQKADY-FPOVZHCZSA-N 1 0 431.540 3.934 50 0 IHAARO O=C(CNC(=O)c1ccc(Cl)cc1Cl)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058061237 556756118 /nfs/dbraw/zinc/75/61/18/556756118.db2.gz IELAHPHDLYBRAB-QGZVFWFLSA-N 1 0 434.367 3.752 50 0 IHAARO COc1cc(CCC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000058129647 556759935 /nfs/dbraw/zinc/75/99/35/556759935.db2.gz KQBIHBUJSCLGHD-OAQYLSRUSA-N 1 0 426.557 3.673 50 0 IHAARO CCc1ccccc1NC(=O)Cn1c(=O)c2c(nc1-c1ccc(F)cc1)CC[N@@H+](CC)C2 ZINC000062007148 556765390 /nfs/dbraw/zinc/76/53/90/556765390.db2.gz QBYRMSYQTIJRSB-UHFFFAOYSA-N 1 0 434.515 3.629 50 0 IHAARO Cc1ccc(-n2cnnc2SCC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000058196840 556770799 /nfs/dbraw/zinc/77/07/99/556770799.db2.gz BWUUPWICYFJYOE-CALCHBBNSA-N 1 0 429.634 3.849 50 0 IHAARO C[N@H+](CCCNC(=O)c1nnc(C(=O)Nc2cccc(Cl)c2)s1)C1CCCCC1 ZINC000033060356 556816723 /nfs/dbraw/zinc/81/67/23/556816723.db2.gz VFVAXWFHWMQLGV-UHFFFAOYSA-N 1 0 435.981 3.828 50 0 IHAARO O=C(CCc1nc(C2=CCN(Cc3ccc(Cl)cc3)CC2)no1)NCc1ccccn1 ZINC000033069213 556850783 /nfs/dbraw/zinc/85/07/83/556850783.db2.gz DBLLNFVPSXMSHP-UHFFFAOYSA-N 1 0 437.931 3.656 50 0 IHAARO O=C(C1CCN(c2nc3cc(Cl)ccc3[nH]2)CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000033071089 556851426 /nfs/dbraw/zinc/85/14/26/556851426.db2.gz XAFCTJFNYWMISS-UHFFFAOYSA-N 1 0 429.996 3.910 50 0 IHAARO O=C(c1nc2sccn2c1C[NH2+]CC1(c2ccccc2)CCOCC1)N1CCCCC1 ZINC000019789761 556914588 /nfs/dbraw/zinc/91/45/88/556914588.db2.gz OXUFTMPBYLWNDS-UHFFFAOYSA-N 1 0 438.597 3.860 50 0 IHAARO NS(=O)(=O)c1ccc(CC[NH2+]Cc2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000019922733 556944006 /nfs/dbraw/zinc/94/40/06/556944006.db2.gz SCFCLHZZHVEZKS-UHFFFAOYSA-N 1 0 430.957 3.899 50 0 IHAARO O[C@@H](COCCOc1ccc(Cl)cc1)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019938591 556953050 /nfs/dbraw/zinc/95/30/50/556953050.db2.gz KKCPFGYFCCFUBN-OAQYLSRUSA-N 1 0 439.383 3.568 50 0 IHAARO COc1ccc(Cn2c(C)cc(O)c([C@@H](c3ccc(C)cc3)N3CC[NH+](C)CC3)c2=O)cc1 ZINC000023086500 556997372 /nfs/dbraw/zinc/99/73/72/556997372.db2.gz PZPDYEKUPFUZKJ-AREMUKBSSA-N 1 0 447.579 3.564 50 0 IHAARO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccco3)CC2)C1 ZINC000077370123 556999348 /nfs/dbraw/zinc/99/93/48/556999348.db2.gz SMUOUZVGEZLTNR-FQEVSTJZSA-N 1 0 433.556 3.780 50 0 IHAARO COc1cn(CC(=O)Nc2cccc(C(F)(F)F)c2)c(C[NH+]2CCC(C)CC2)cc1=O ZINC000017246021 557044633 /nfs/dbraw/zinc/04/46/33/557044633.db2.gz WPYDDWSBLIZDPA-UHFFFAOYSA-N 1 0 437.462 3.746 50 0 IHAARO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1CC ZINC000022919264 557046208 /nfs/dbraw/zinc/04/62/08/557046208.db2.gz RELJNUHHANEZHV-AEFFLSMTSA-N 1 0 429.586 3.993 50 0 IHAARO COc1ccc(-c2cc(C(=O)N3CCN(CC[NH+]4CCCC4)CC3)c3ccccc3n2)cc1 ZINC000023257888 557080260 /nfs/dbraw/zinc/08/02/60/557080260.db2.gz MBKOXURFABRYNM-UHFFFAOYSA-N 1 0 444.579 3.764 50 0 IHAARO CCOC(=O)[C@@]1(CCc2ccccc2)CCC[N@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000023338724 557085058 /nfs/dbraw/zinc/08/50/58/557085058.db2.gz OTJOORZNUFUIDI-XMMPIXPASA-N 1 0 443.613 3.758 50 0 IHAARO CC[NH+]1CCN([C@H]2CCc3c(sc4ncn(CCCc5ccccc5)c(=O)c34)C2)CC1 ZINC000023362858 557087927 /nfs/dbraw/zinc/08/79/27/557087927.db2.gz OOALFNPMKWOMIM-FQEVSTJZSA-N 1 0 436.625 3.586 50 0 IHAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2)c1cccc(OC)c1 ZINC000010917302 557099098 /nfs/dbraw/zinc/09/90/98/557099098.db2.gz NZJGXYXQCUXSCC-YWZLYKJASA-N 1 0 427.570 3.941 50 0 IHAARO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)N1CCN(Cc2cccs2)CC1 ZINC000023881991 557123052 /nfs/dbraw/zinc/12/30/52/557123052.db2.gz ZTFFSZOZDNFKDQ-UHFFFAOYSA-N 1 0 440.638 3.882 50 0 IHAARO Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)cc12 ZINC000017803572 557123902 /nfs/dbraw/zinc/12/39/02/557123902.db2.gz CXVSECGVVROOOL-LJQANCHMSA-N 1 0 444.576 3.680 50 0 IHAARO CC1CC[NH+]([C@@H](CNC(=O)CN2C(=O)COc3ccc(Cl)cc32)c2cccs2)CC1 ZINC000027575442 557265992 /nfs/dbraw/zinc/26/59/92/557265992.db2.gz MODCBIADEMJZPC-SFHVURJKSA-N 1 0 447.988 3.716 50 0 IHAARO CC[C@@H](COC)NC(=O)c1cc(N2CC[NH+](Cc3ccccc3)CC2)nc2ccccc21 ZINC000023327107 557313155 /nfs/dbraw/zinc/31/31/55/557313155.db2.gz KWWPEOJRAXUILH-NRFANRHFSA-N 1 0 432.568 3.712 50 0 IHAARO NC(=O)N[C@H](CC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1Cl ZINC000014197471 557318066 /nfs/dbraw/zinc/31/80/66/557318066.db2.gz NHHQGKZUPDSHSH-OAQYLSRUSA-N 1 0 428.964 3.742 50 0 IHAARO CC(C)Cc1nnc(C(=O)Nc2ccc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)cc2)s1 ZINC000033011319 557320996 /nfs/dbraw/zinc/32/09/96/557320996.db2.gz JRQQPZDHUWOLLH-KRWDZBQOSA-N 1 0 443.617 3.983 50 0 IHAARO Cc1sc2nc(CN3CCOCC3)nc(NC[C@@H](c3ccco3)[NH+]3CCCC3)c2c1C ZINC000023990921 557390202 /nfs/dbraw/zinc/39/02/02/557390202.db2.gz YZMNSQHJQOGTOD-SFHVURJKSA-N 1 0 441.601 3.982 50 0 IHAARO CCCS(=O)(=O)N1CCN(c2nc(C3CC3)nc(CC)c2Cc2ccc(F)cc2)CC1 ZINC000103316673 557433764 /nfs/dbraw/zinc/43/37/64/557433764.db2.gz ZRWSOVKFOCKOQL-UHFFFAOYSA-N 1 0 446.592 3.508 50 0 IHAARO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000103535691 557439251 /nfs/dbraw/zinc/43/92/51/557439251.db2.gz UOUDTJKJGXFWJA-PUFAWVJESA-N 1 0 449.938 3.696 50 0 IHAARO Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@H+](CC(C)C)C[C@H](C)O)cc1 ZINC000105002661 557470136 /nfs/dbraw/zinc/47/01/36/557470136.db2.gz HMZJFQLWXTXEFW-SIKLNZKXSA-N 1 0 430.614 3.900 50 0 IHAARO Cc1ccc2c(c1)N(CC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)C(=O)c1cccnc1O2 ZINC000009151471 562967845 /nfs/dbraw/zinc/96/78/45/562967845.db2.gz KDMVHHNBVUEEJY-OALUTQOASA-N 1 0 436.556 3.627 50 0 IHAARO Cc1ccc2c(c1)N(CC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C(=O)c1cccnc1O2 ZINC000009151472 562967864 /nfs/dbraw/zinc/96/78/64/562967864.db2.gz KDMVHHNBVUEEJY-RTBURBONSA-N 1 0 436.556 3.627 50 0 IHAARO Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCC3([NH+](C)C)CCCCC3)cc2)cc1 ZINC000010092698 562978499 /nfs/dbraw/zinc/97/84/99/562978499.db2.gz WOYFLCQFXHBUAO-UHFFFAOYSA-N 1 0 443.613 3.814 50 0 IHAARO CCCn1ncc(C[NH+]2CCC(n3nccc3NC(=O)c3ccccc3OC)CC2)c1C ZINC000012053890 562980600 /nfs/dbraw/zinc/98/06/00/562980600.db2.gz MNIRCHLRQUVTIA-UHFFFAOYSA-N 1 0 436.560 3.896 50 0 IHAARO C[NH+](C)[C@H](CNC(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O)c1ccccc1 ZINC000013139003 562985176 /nfs/dbraw/zinc/98/51/76/562985176.db2.gz RVYWJFZGSFHNNJ-JOCHJYFZSA-N 1 0 429.520 3.635 50 0 IHAARO CCOc1ccccc1/C=C/C(=O)NCC(=O)N1CCC([N@H+](C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000015937170 563019214 /nfs/dbraw/zinc/01/92/14/563019214.db2.gz SUUGECADHQEDGQ-JWVZTPSPSA-N 1 0 441.616 3.716 50 0 IHAARO Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2cccc(F)c2)sc1Cl ZINC000043197674 563119333 /nfs/dbraw/zinc/11/93/33/563119333.db2.gz AFJRDFWMXUECEW-LBPRGKRZSA-N 1 0 427.332 3.894 50 0 investigational IHAARO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982507 568622669 /nfs/dbraw/zinc/62/26/69/568622669.db2.gz BAQDBLMDVNPJGN-FGZHOGPDSA-N 1 0 428.504 3.525 50 0 IHAARO COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1 ZINC000025386815 568655850 /nfs/dbraw/zinc/65/58/50/568655850.db2.gz PPVBNRDZNHCFMM-QHCPKHFHSA-N 1 0 435.491 3.994 50 0 IHAARO C[C@H]1CCC[N@H+](CCCNC(=O)CN2c3cc(Cl)ccc3Oc3ncccc3C2=O)C1 ZINC000015679985 568805909 /nfs/dbraw/zinc/80/59/09/568805909.db2.gz DBIBEJXZEXADJI-INIZCTEOSA-N 1 0 442.947 3.726 50 0 IHAARO Cc1cc2c(cc1S(=O)(=O)NCC[NH+]1CCCCCC1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000015733769 568816104 /nfs/dbraw/zinc/81/61/04/568816104.db2.gz OGXOSQJYGQJTEF-UHFFFAOYSA-N 1 0 431.602 3.786 50 0 IHAARO Cc1ccc(-n2ncc(C(=O)N3CCN(c4ccccc4)CC3)c2C2CC[NH2+]CC2)cc1 ZINC000015772743 568822830 /nfs/dbraw/zinc/82/28/30/568822830.db2.gz CTVPYSATQSLDKL-UHFFFAOYSA-N 1 0 429.568 3.610 50 0 IHAARO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H]3CCC[N@@H+]3[C@]23c2cc(C)cc(C)c2NC3=O)c1 ZINC000015972780 568861401 /nfs/dbraw/zinc/86/14/01/568861401.db2.gz LLXSEQNQXCDXQL-RSLCBRBSSA-N 1 0 435.524 3.591 50 0 IHAARO CCOc1ccc(C[N@@H+]2CCN(Cc3[nH]c4ccc(OC)cc4c3C)C[C@H]2CCO)cc1 ZINC000036385846 568905738 /nfs/dbraw/zinc/90/57/38/568905738.db2.gz CRQIKGNLEOGTIN-OAQYLSRUSA-N 1 0 437.584 3.952 50 0 IHAARO CC[N@@H+]1CCN2c3cccc(Cl)c3C[C@]3(C(=O)[N-]C(=O)N(c4ccccc4)C3=O)[C@H]2C1 ZINC000245325970 568915005 /nfs/dbraw/zinc/91/50/05/568915005.db2.gz IIWDOUYSHMKYQW-AUSIDOKSSA-N 1 0 438.915 3.516 50 0 IHAARO COc1cc(C(C)=O)ccc1OCC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000089292139 568920036 /nfs/dbraw/zinc/92/00/36/568920036.db2.gz CAFVQSNJKPGBND-UHFFFAOYSA-N 1 0 430.932 3.711 50 0 IHAARO CC(=O)c1ccc(OCCCC(=O)Nc2ccc(C(=O)NCC[NH+](C)C)c(Cl)c2)cc1 ZINC000089331102 568920449 /nfs/dbraw/zinc/92/04/49/568920449.db2.gz REXIIVKTDZRKBO-UHFFFAOYSA-N 1 0 445.947 3.632 50 0 IHAARO COc1ccc(OC[C@@H](O)C[N@H+](Cc2cccs2)Cc2ccc3c(c2)OCO3)cc1 ZINC000036103482 568953014 /nfs/dbraw/zinc/95/30/14/568953014.db2.gz XEUIQGSDCRYONS-SFHVURJKSA-N 1 0 427.522 3.928 50 0 IHAARO CC(C)COC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146106 568962136 /nfs/dbraw/zinc/96/21/36/568962136.db2.gz VXZNFRHZEDOISL-GOTSBHOMSA-N 1 0 432.511 3.994 50 0 IHAARO COCCC[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@H](O)COC(C)C ZINC000036313017 568998184 /nfs/dbraw/zinc/99/81/84/568998184.db2.gz NLLJSURCPNDMRP-QFIPXVFZSA-N 1 0 445.604 3.956 50 0 IHAARO CCN1c2cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)ccc2C(=O)N2CCCCC[C@@H]12 ZINC000169765965 569096956 /nfs/dbraw/zinc/09/69/56/569096956.db2.gz UTUTVMSCZFWSRK-DEOSSOPVSA-N 1 0 438.616 3.959 50 0 IHAARO CC(C)c1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NC2CCCCCC2)cc1 ZINC000065074850 569099316 /nfs/dbraw/zinc/09/93/16/569099316.db2.gz AHSPVSUCWBLNFR-UHFFFAOYSA-N 1 0 446.661 3.647 50 0 biogenic IHAARO Cc1ccccc1N1CCN(C(=O)c2cccc3[nH]cc(C[NH+]4CCSCC4)c32)CC1 ZINC000065135858 569110864 /nfs/dbraw/zinc/11/08/64/569110864.db2.gz DGDRCFUTVYULIH-UHFFFAOYSA-N 1 0 434.609 3.988 50 0 IHAARO COc1ccc([C@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)[NH+]2CCCCC2)cc1 ZINC000006937220 569111214 /nfs/dbraw/zinc/11/12/14/569111214.db2.gz JNMDZLBHBAQUQO-FQEVSTJZSA-N 1 0 428.529 3.678 50 0 biogenic IHAARO Cc1ccc(N2CCN(C(=O)c3cccc(N4CC[NH2+][C@H](c5ccccc5)C4)n3)CC2)cc1 ZINC000065256317 569123250 /nfs/dbraw/zinc/12/32/50/569123250.db2.gz SJVFGUWSPRXLMR-VWLOTQADSA-N 1 0 441.579 3.503 50 0 IHAARO CC1CCN(C(=O)c2cc3c(s2)CC[C@@H](C(=O)NCCC[NH+]2CCCCC2)C3)CC1 ZINC000065272655 569129114 /nfs/dbraw/zinc/12/91/14/569129114.db2.gz YFINWRBRGUHHKI-LJQANCHMSA-N 1 0 431.646 3.717 50 0 IHAARO C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000065614863 569140310 /nfs/dbraw/zinc/14/03/10/569140310.db2.gz KENPWTLHNAMDGH-HXUWFJFHSA-N 1 0 434.367 3.976 50 0 IHAARO O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000037208883 569140839 /nfs/dbraw/zinc/14/08/39/569140839.db2.gz ULDJZODPCCYPEU-RDPSFJRHSA-N 1 0 431.536 3.663 50 0 IHAARO CCC[NH+]1CCN(c2ccc(NC(=O)Cc3ccc4c(c3)OCCO4)c(OCC)c2)CC1 ZINC000170606085 569143879 /nfs/dbraw/zinc/14/38/79/569143879.db2.gz CVVZCLCUZRGKRL-UHFFFAOYSA-N 1 0 439.556 3.570 50 0 IHAARO COc1ccc([C@H]([NH2+]CC2(OC)CCOCC2)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000170606851 569144115 /nfs/dbraw/zinc/14/41/15/569144115.db2.gz PGZCZZJPYAIFMH-RTWAWAEBSA-N 1 0 434.577 3.921 50 0 IHAARO Cc1cc(OCC(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c2c(c1)oc(=O)c1c2CCCC1 ZINC000170613417 569146274 /nfs/dbraw/zinc/14/62/74/569146274.db2.gz QUWYZSAOZTZYLN-NQIIRXRSSA-N 1 0 438.568 3.740 50 0 IHAARO CC[C@@](C)(COc1ncccc1Cl)[NH2+]CC(=O)NCCc1nc2ccccc2s1 ZINC000089942110 569168413 /nfs/dbraw/zinc/16/84/13/569168413.db2.gz LLAUDMMFJOASRJ-NRFANRHFSA-N 1 0 432.977 3.841 50 0 IHAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)CCc2cc(F)ccc2F)cc1OC ZINC000089968990 569169172 /nfs/dbraw/zinc/16/91/72/569169172.db2.gz VMFNNCBNPHMFFT-UHFFFAOYSA-N 1 0 433.499 3.616 50 0 IHAARO CCOC(=O)Nc1ccc2c(C[N@@H+]3CCCN(c4cncc(F)c4)CC3)cc(=O)oc2c1 ZINC000089984759 569169972 /nfs/dbraw/zinc/16/99/72/569169972.db2.gz XRKGGCWJAHSUOU-UHFFFAOYSA-N 1 0 440.475 3.608 50 0 IHAARO COc1cccc(-c2nc(N3CC[NH+](C(C)C)CC3)nc3nn(-c4ccccc4)c(N)c32)c1 ZINC000037375871 569185515 /nfs/dbraw/zinc/18/55/15/569185515.db2.gz AMXHMMBCXCLVMI-UHFFFAOYSA-N 1 0 443.555 3.604 50 0 IHAARO Cc1nc(CN2CCC([NH+]3CCN(c4cccc(C(F)(F)F)n4)CC3)CC2)cs1 ZINC000252500781 569188110 /nfs/dbraw/zinc/18/81/10/569188110.db2.gz TVHLBNUJAKWLHS-UHFFFAOYSA-N 1 0 425.524 3.652 50 0 IHAARO COc1cccc([C@H](CNC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)[NH+]2CCCC2)c1 ZINC000027340454 569190739 /nfs/dbraw/zinc/19/07/39/569190739.db2.gz JMOAXVCMFYAHIU-URXFXBBRSA-N 1 0 435.568 3.618 50 0 IHAARO Cc1cccc(N2CC[N@@H+](C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@H](O)[C@H]34)C[C@@H]2C)c1 ZINC000252695298 569211164 /nfs/dbraw/zinc/21/11/64/569211164.db2.gz XZCQJZYHYNIVDU-KQJHBFHWSA-N 1 0 438.612 3.791 50 0 biogenic IHAARO CC(C)N1CC[NH+]([C@H]2CCOC3(CCN(C(=O)CCCc4ccccc4)CC3)C2)CC1 ZINC000581819798 569211594 /nfs/dbraw/zinc/21/15/94/569211594.db2.gz LOZAPEAOPWCCID-DEOSSOPVSA-N 1 0 427.633 3.576 50 0 IHAARO CC(C)CN1CC[NH+]([C@H]2CCOC3(CCN(C(=O)CCCc4ccccc4)CC3)C2)CC1 ZINC000581820174 569211699 /nfs/dbraw/zinc/21/16/99/569211699.db2.gz WOYFDUOKTLEJIY-VWLOTQADSA-N 1 0 441.660 3.823 50 0 IHAARO Cc1cccc(C(=O)N2CCC3(CC2)C[C@@H]([NH+]2CCN(c4ccccc4)CC2)CCO3)c1 ZINC000581820128 569211713 /nfs/dbraw/zinc/21/17/13/569211713.db2.gz TZJKEDUYLZFTKZ-VWLOTQADSA-N 1 0 433.596 3.971 50 0 IHAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CN1C(=O)c2ccccc2N[C@H]1c1ccccc1 ZINC000253412489 569265849 /nfs/dbraw/zinc/26/58/49/569265849.db2.gz RDWFCTPDCNFCGV-BBVWWWHTSA-N 1 0 446.595 3.976 50 0 biogenic IHAARO CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCO[C@H](C(C)C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000253416045 569266402 /nfs/dbraw/zinc/26/64/02/569266402.db2.gz QVKFMUNVGLIGNA-OTWHNJEPSA-N 1 0 426.598 3.749 50 0 IHAARO O=C(Nc1ccccn1)C1CC[NH+](Cc2c[nH]c3c(Br)cccc3c2=O)CC1 ZINC000253630374 569284572 /nfs/dbraw/zinc/28/45/72/569284572.db2.gz OIMMTRHDVVZDBD-UHFFFAOYSA-N 1 0 441.329 3.949 50 0 IHAARO CC[C@@H]1CN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)[C@@H](CC)C[N@@H+]1Cc1ccccc1 ZINC000078869838 569319570 /nfs/dbraw/zinc/31/95/70/569319570.db2.gz KVLQSJKAYDQHFE-RPWUZVMVSA-N 1 0 440.632 3.816 50 0 IHAARO COc1cc(NC2CC[NH+]([C@@H](C)C(=O)NCc3ccc(Cl)cc3)CC2)cc(OC)c1 ZINC000079025613 569322743 /nfs/dbraw/zinc/32/27/43/569322743.db2.gz HHBCVVYKRBUMOX-INIZCTEOSA-N 1 0 431.964 3.938 50 0 IHAARO Cc1ccc(-n2nc(C(=O)N3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)c3c2CCC3)cc1 ZINC000079049306 569323223 /nfs/dbraw/zinc/32/32/23/569323223.db2.gz COZINAYGNSPPSM-FGZHOGPDSA-N 1 0 426.564 3.873 50 0 IHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=S)Nc2ccc3nc4n(c(=O)c3c2)CCCCC4)C1 ZINC000020105259 569334296 /nfs/dbraw/zinc/33/42/96/569334296.db2.gz PZXNMOFCKCUILJ-HDICACEKSA-N 1 0 441.645 3.777 50 0 IHAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=S)NCc3ccc4c(c3)OCO4)cc12 ZINC000020153819 569353516 /nfs/dbraw/zinc/35/35/16/569353516.db2.gz YVAHMZXGGGMAIB-UHFFFAOYSA-N 1 0 449.580 3.510 50 0 IHAARO CCc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCC[NH+]3CCCC3)C2=O)cc1 ZINC000020181657 569355396 /nfs/dbraw/zinc/35/53/96/569355396.db2.gz PSWFSYAPWHNTQY-HAVVHWLPSA-N 1 0 435.593 3.941 50 0 IHAARO Cc1cccc(C[NH+]2CCC(CNC(=O)CSc3cc(=O)n(C)c4ccccc34)CC2)c1 ZINC000020234237 569357205 /nfs/dbraw/zinc/35/72/05/569357205.db2.gz YKNLSXNOSUZNAC-UHFFFAOYSA-N 1 0 449.620 3.967 50 0 IHAARO CN(C(=O)Nc1ccc2c(c1)OCCCO2)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000095446468 569367394 /nfs/dbraw/zinc/36/73/94/569367394.db2.gz ZDXUAGUOJWLTHN-RTWAWAEBSA-N 1 0 430.593 3.649 50 0 IHAARO CN1CCC([NH+]2CCC(NC(=O)Nc3cccc(NC(=O)c4ccccc4)c3)CC2)CC1 ZINC000095957700 569376956 /nfs/dbraw/zinc/37/69/56/569376956.db2.gz IBHSNQOSPCXQBK-UHFFFAOYSA-N 1 0 435.572 3.619 50 0 IHAARO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)CC[C@@H]1Cc3ccccc3NC1=O)c1ccccc1O2 ZINC000096997615 569402784 /nfs/dbraw/zinc/40/27/84/569402784.db2.gz ANOOBBDKNIDLQQ-DENIHFKCSA-N 1 0 433.552 3.682 50 0 IHAARO COc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000002890314 569424532 /nfs/dbraw/zinc/42/45/32/569424532.db2.gz NILOJHSBQXTWOW-FQEVSTJZSA-N 1 0 426.900 3.952 50 0 IHAARO Cc1c(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cnn1-c1ccc(Br)cc1 ZINC000230203358 569440100 /nfs/dbraw/zinc/44/01/00/569440100.db2.gz ZENVVZXTOQNRNR-UZLBHIALSA-N 1 0 431.378 3.938 50 0 biogenic IHAARO C[NH+](C)CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=S)Nc1cccc(C(F)(F)F)c1 ZINC000003414838 569450202 /nfs/dbraw/zinc/45/02/02/569450202.db2.gz ARHJSZPJYXXZDU-UHFFFAOYSA-N 1 0 449.502 3.703 50 0 IHAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)CN2c3ccccc3OCCC2=O)cc1 ZINC000031078333 569453190 /nfs/dbraw/zinc/45/31/90/569453190.db2.gz NGUNDWILYYCBHY-UHFFFAOYSA-N 1 0 443.547 3.847 50 0 IHAARO Cc1c(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)sc2ncn(C)c(=O)c12 ZINC000031078353 569453234 /nfs/dbraw/zinc/45/32/34/569453234.db2.gz LYWNPTZDOKTAEQ-UHFFFAOYSA-N 1 0 446.576 3.962 50 0 IHAARO CCC[NH+](CCC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000003657958 569455868 /nfs/dbraw/zinc/45/58/68/569455868.db2.gz CTSZZQADUBGVIN-RPWUZVMVSA-N 1 0 437.584 3.844 50 0 IHAARO O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000039535825 569481740 /nfs/dbraw/zinc/48/17/40/569481740.db2.gz RVZIWXAEGBCYQT-JOCHJYFZSA-N 1 0 439.987 3.927 50 0 IHAARO Cc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@H](C)O)CC2CC2)c1 ZINC000245281353 569502149 /nfs/dbraw/zinc/50/21/49/569502149.db2.gz XLQGADHTANDDRT-PGRDOPGGSA-N 1 0 428.598 3.654 50 0 IHAARO C[N@H+](CCCNC(=O)c1ccc(C[S@@](=O)c2ccc(F)cc2)o1)Cc1ccccc1 ZINC000009115779 569502806 /nfs/dbraw/zinc/50/28/06/569502806.db2.gz GJDCNAMYWMLINY-PMERELPUSA-N 1 0 428.529 3.978 50 0 IHAARO CC[NH+](CC)CCn1c(=O)c2ccccc2nc1SCC(=O)c1cc(F)ccc1F ZINC000009119532 569503528 /nfs/dbraw/zinc/50/35/28/569503528.db2.gz AHBXAGQWDMBOOH-UHFFFAOYSA-N 1 0 431.508 3.992 50 0 IHAARO CC(C)[C@H]([NH2+]CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)c1ccc(F)cc1 ZINC000009314521 569521983 /nfs/dbraw/zinc/52/19/83/569521983.db2.gz NJEKFVAQHIFMAD-FQEVSTJZSA-N 1 0 441.956 3.655 50 0 IHAARO O=C(NC[C@@H]([C@H]1CCOC1)[NH+]1CCCC1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000069923002 569523897 /nfs/dbraw/zinc/52/38/97/569523897.db2.gz VGUXDHGVXTYXJK-JXFKEZNVSA-N 1 0 440.510 3.928 50 0 IHAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(C(=O)c2cc3sccc3n2C)CC1 ZINC000009847793 569571190 /nfs/dbraw/zinc/57/11/90/569571190.db2.gz RHMAWQSYYZXOEJ-LJQANCHMSA-N 1 0 444.645 3.863 50 0 IHAARO COc1ccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)[NH+]2CCCC2)c(OC)c1 ZINC000010334014 569581091 /nfs/dbraw/zinc/58/10/91/569581091.db2.gz FJCLNDOTDKWEEV-HSZRJFAPSA-N 1 0 447.535 3.749 50 0 IHAARO Cn1cc([C@H](CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)[NH+](C)C)c2ccccc21 ZINC000077171696 569585793 /nfs/dbraw/zinc/58/57/93/569585793.db2.gz WGVMRPOIJFCWOK-IBGZPJMESA-N 1 0 441.475 3.658 50 0 IHAARO CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CC[NH+](CC)CC2)cc1Cl ZINC000010059889 132334469 /nfs/dbraw/zinc/33/44/69/132334469.db2.gz MFNKTHLJLUVJFC-UHFFFAOYSA-N 1 0 445.947 3.920 50 0 IHAARO C/C(=C\c1ccccc1)C[NH+]1CCN(c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3=O)CC1 ZINC000012211321 518444737 /nfs/dbraw/zinc/44/47/37/518444737.db2.gz NYYQLOLVVOHSGQ-YDPLAMGBSA-N 1 0 445.563 3.687 50 0 IHAARO CC(C)[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)CC1 ZINC000012783246 519672137 /nfs/dbraw/zinc/67/21/37/519672137.db2.gz RMYFDOPYCNQIHK-UHFFFAOYSA-N 1 0 435.977 3.743 50 0 IHAARO CCCOc1c(Br)cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1OC ZINC000012535126 520292491 /nfs/dbraw/zinc/29/24/91/520292491.db2.gz NZQKYAZZGIWKRX-KRWDZBQOSA-N 1 0 430.306 3.693 50 0 IHAARO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)NC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000012737681 520836923 /nfs/dbraw/zinc/83/69/23/520836923.db2.gz WEZVASVLRIONIU-JXFKEZNVSA-N 1 0 446.389 3.767 50 0 IHAARO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CS[C@@]2(c3ccccc3)CCC(=O)N12)c1ccccc1 ZINC000012819547 520865069 /nfs/dbraw/zinc/86/50/69/520865069.db2.gz MVVOTBFHYVHETH-OTNCWRBYSA-N 1 0 437.609 3.777 50 0 IHAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1cc(-c2ccc(C)s2)n[nH]1 ZINC000012447065 520976880 /nfs/dbraw/zinc/97/68/80/520976880.db2.gz AGOSQSHQDNVXTO-UHFFFAOYSA-N 1 0 429.634 3.715 50 0 IHAARO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@H+](Cc2ccc(OCCO)cc2)C1 ZINC000014972563 521181841 /nfs/dbraw/zinc/18/18/41/521181841.db2.gz OEDYPEXTRZXBNK-RUZDIDTESA-N 1 0 427.541 3.672 50 0 IHAARO CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CCN1CC[NH+](C)CC1 ZINC000022466123 521371596 /nfs/dbraw/zinc/37/15/96/521371596.db2.gz YWTGVJPWCBUVPL-UHFFFAOYSA-N 1 0 429.586 3.785 50 0 IHAARO CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](CC)CC2)c1C ZINC000012806241 521380814 /nfs/dbraw/zinc/38/08/14/521380814.db2.gz SQAJMMHKMUQRBA-UHFFFAOYSA-N 1 0 432.952 3.856 50 0 IHAARO CC[NH+]1CCN(CCNC(=O)CCc2cn(Cc3ccccc3C)c3ccccc23)CC1 ZINC000021527983 521681858 /nfs/dbraw/zinc/68/18/58/521681858.db2.gz AIXWSDOAYXKYDS-UHFFFAOYSA-N 1 0 432.612 3.684 50 0 IHAARO C=C1C(Nc2ccc(CN3CC[NH+](CC)CC3)cc2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000020900814 521688879 /nfs/dbraw/zinc/68/88/79/521688879.db2.gz RMAVAZSSSONTPT-UHFFFAOYSA-N 1 0 438.597 3.718 50 0 IHAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(OCC(C)C)cc2)CC1 ZINC000020979220 521697730 /nfs/dbraw/zinc/69/77/30/521697730.db2.gz NIQIBBUEOIDZIF-UHFFFAOYSA-N 1 0 439.556 3.902 50 0 IHAARO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2ccc(Br)c(C)c2)CC1 ZINC000012552008 521699988 /nfs/dbraw/zinc/69/99/88/521699988.db2.gz SSDPECUULANYJH-UHFFFAOYSA-N 1 0 438.391 3.700 50 0 IHAARO COc1cc(Cl)c(C)cc1NC(=O)c1sc2ncnc(N3CC[NH+](C)CC3)c2c1C ZINC000021023934 522516348 /nfs/dbraw/zinc/51/63/48/522516348.db2.gz WYBCPHVYNKSARX-UHFFFAOYSA-N 1 0 445.976 3.974 50 0 IHAARO COc1cc(NC(=O)NCc2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)cc(OC)c1 ZINC000020927340 522696131 /nfs/dbraw/zinc/69/61/31/522696131.db2.gz OAFKHXZACGZVIW-UHFFFAOYSA-N 1 0 426.542 3.866 50 0 IHAARO COc1cc2cc(C[NH2+]C[C@H]3COCCO3)c(OCc3ccc(C)cc3)nc2cc1OC ZINC000012218368 523059692 /nfs/dbraw/zinc/05/96/92/523059692.db2.gz VGKXGYYCOYKGCQ-NRFANRHFSA-N 1 0 438.524 3.644 50 0 IHAARO COc1ccc(-n2nc3nc(NCC[NH+]4CCCCC4)nc(-c4ccccc4)c3c2N)cc1 ZINC000035929453 523351114 /nfs/dbraw/zinc/35/11/14/523351114.db2.gz SJDQSKWZRQDVJF-UHFFFAOYSA-N 1 0 443.555 3.971 50 0 IHAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)Cc1ccccc1OC ZINC000012198884 523688115 /nfs/dbraw/zinc/68/81/15/523688115.db2.gz PBBIULABFSSMGH-UHFFFAOYSA-N 1 0 440.584 3.634 50 0 IHAARO COc1ccc(CN2C[C@@H]3C[C@@H](/C=C/c4ccc(O)c(OC)c4)[N@@H+]4CCC[C@@]34C2=O)cc1 ZINC000012744869 524041541 /nfs/dbraw/zinc/04/15/41/524041541.db2.gz BNERUFWKODKFPF-WIGUDTQDSA-N 1 0 434.536 3.688 50 0 IHAARO C[C@H]1CCC[N@H+](CCCNC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)C1 ZINC000021538889 524087424 /nfs/dbraw/zinc/08/74/24/524087424.db2.gz MDZUBMNLHHYEOQ-SFHVURJKSA-N 1 0 427.618 3.660 50 0 IHAARO C[C@@H]1CCC[C@H]([N@H+](CC(=O)Nc2ccc(C(N)=O)cc2)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC000058192817 524392274 /nfs/dbraw/zinc/39/22/74/524392274.db2.gz ZFEVUIHAYNXJLX-LZJOCLMNSA-N 1 0 437.540 3.780 50 0 IHAARO COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccc(-n4cccn4)cc3)[N@@H+]3CCC[C@@]23C1=O ZINC000012716600 524456452 /nfs/dbraw/zinc/45/64/52/524456452.db2.gz BZTYOJGHYHGBFB-KJOQGJGQSA-N 1 0 428.536 3.819 50 0 IHAARO Cc1cccc(N2CC[N@@H+](CCCNC(=O)c3noc4c3COc3ccccc3-4)C[C@@H]2C)c1 ZINC000020484814 524555866 /nfs/dbraw/zinc/55/58/66/524555866.db2.gz AVXMNBCSURDARW-IBGZPJMESA-N 1 0 446.551 3.873 50 0 IHAARO COc1ccc(NC(=O)c2ccccc2NC(=O)C[NH2+]C[C@@H](c2ccccc2)N(C)C)cc1 ZINC000022037618 524645306 /nfs/dbraw/zinc/64/53/06/524645306.db2.gz FTJRVCQXQVWUKI-DEOSSOPVSA-N 1 0 446.551 3.779 50 0 IHAARO Cc1ccccc1CNc1nc(N2CC[NH+](Cc3ccccc3)CC2)nc2c1cnn2C ZINC000021930428 525170308 /nfs/dbraw/zinc/17/03/08/525170308.db2.gz JFDGUXWMFOMNMK-UHFFFAOYSA-N 1 0 427.556 3.606 50 0 IHAARO COc1ccc([C@@H](CNC(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)[NH+]2CCCC2)cc1 ZINC000012820116 525182391 /nfs/dbraw/zinc/18/23/91/525182391.db2.gz SYALNVZTWHTDFU-HSZRJFAPSA-N 1 0 449.599 3.788 50 0 IHAARO C[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000057383579 525307830 /nfs/dbraw/zinc/30/78/30/525307830.db2.gz QGUDGGCWKMKWMR-SFHVURJKSA-N 1 0 429.586 3.760 50 0 IHAARO COc1ccc([C@H](CNC(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)[NH+]2CCCC2)cc1 ZINC000012820127 525355079 /nfs/dbraw/zinc/35/50/79/525355079.db2.gz SYALNVZTWHTDFU-QHCPKHFHSA-N 1 0 449.599 3.788 50 0 IHAARO C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000057383581 525411300 /nfs/dbraw/zinc/41/13/00/525411300.db2.gz QGUDGGCWKMKWMR-GOSISDBHSA-N 1 0 429.586 3.760 50 0 IHAARO Cc1cccn2c(CN(C)C[C@@H]3CCCC[N@@H+]3C)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000022851516 525463944 /nfs/dbraw/zinc/46/39/44/525463944.db2.gz WNFUQIXQHLVNIU-QHCPKHFHSA-N 1 0 447.627 3.874 50 0 IHAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]1[C@@H](C(=O)NCCC(C)C)C2 ZINC000035911158 525551151 /nfs/dbraw/zinc/55/11/51/525551151.db2.gz AXKNWRFWJZUYRW-UKILVPOCSA-N 1 0 439.575 3.860 50 0 IHAARO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)c1ccc(F)c(F)c1 ZINC000057381169 525590385 /nfs/dbraw/zinc/59/03/85/525590385.db2.gz FVLLPSGGVACGMG-NEPJUHHUSA-N 1 0 445.919 3.546 50 0 IHAARO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035843321 525590646 /nfs/dbraw/zinc/59/06/46/525590646.db2.gz YPHXLCSUUWHSJE-MVOHMCPASA-N 1 0 449.938 3.696 50 0 IHAARO COc1cccc(-c2cc(CC3(O)CC[NH+](Cc4ccc(-c5cc[nH]n5)o4)CC3)on2)c1 ZINC000012316512 525705736 /nfs/dbraw/zinc/70/57/36/525705736.db2.gz FLNNYRORAYPITQ-UHFFFAOYSA-N 1 0 434.496 3.903 50 0 IHAARO Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000022781339 525838783 /nfs/dbraw/zinc/83/87/83/525838783.db2.gz QQSAEAMMWCQKPT-UHFFFAOYSA-N 1 0 443.595 3.701 50 0 IHAARO COc1cccc(CCN2C(=O)CC[C@@H]2CC[NH2+]Cc2cc3c(cc2Cl)OCO3)c1 ZINC000012451312 525892931 /nfs/dbraw/zinc/89/29/31/525892931.db2.gz WPLFTUWTVKYAGJ-GOSISDBHSA-N 1 0 430.932 3.791 50 0 IHAARO Cc1cnc(C[NH2+][C@@H]2CCc3c(sc4ncn(CCc5cccc(F)c5)c(=O)c34)C2)cn1 ZINC000020909586 526046376 /nfs/dbraw/zinc/04/63/76/526046376.db2.gz MNWXQYBDJBHOPL-GOSISDBHSA-N 1 0 449.555 3.585 50 0 IHAARO Cc1cc(=O)c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)nn1-c1ccccc1C(F)(F)F ZINC000021869861 526128870 /nfs/dbraw/zinc/12/88/70/526128870.db2.gz IQZTYAZLXXRTIA-IBGZPJMESA-N 1 0 444.457 3.592 50 0 IHAARO COc1cccc(NC(=O)[C@H]([NH2+]CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c2ccccc2)c1 ZINC000022735036 526198966 /nfs/dbraw/zinc/19/89/66/526198966.db2.gz YKDJXAVLKTUHBD-SELNLUPBSA-N 1 0 425.573 3.852 50 0 IHAARO CSc1ncc(C[NH+]2CCC(CCC(=O)Nc3ccc4c(c3)OCCO4)CC2)cn1 ZINC000012580998 526220874 /nfs/dbraw/zinc/22/08/74/526220874.db2.gz SZULIECUKFBHNS-UHFFFAOYSA-N 1 0 428.558 3.601 50 0 IHAARO Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3cccc(S(C)(=O)=O)c3)sc2c1 ZINC000012342327 526251492 /nfs/dbraw/zinc/25/14/92/526251492.db2.gz NGGWDIGDJPRFDD-UHFFFAOYSA-N 1 0 431.583 3.607 50 0 IHAARO O=C(NCCc1ccccc1F)[C@@H]1C[C@H]([NH2+]Cc2cccc(O)c2)CN1Cc1ccccc1 ZINC000032561827 526429903 /nfs/dbraw/zinc/42/99/03/526429903.db2.gz LGHIKXVZWBUHHB-OZXSUGGESA-N 1 0 447.554 3.623 50 0 IHAARO Cc1nnsc1C(=O)N(C)C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012711359 526440155 /nfs/dbraw/zinc/44/01/55/526440155.db2.gz SANJPAPUWSEKOY-INIZCTEOSA-N 1 0 426.508 3.892 50 0 IHAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000012788255 526494093 /nfs/dbraw/zinc/49/40/93/526494093.db2.gz JTOCNQCCJCSHKZ-FQEVSTJZSA-N 1 0 449.532 3.704 50 0 IHAARO O=C(CCS[C@@H]1CCc2ccccc2NC1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000020718295 526539670 /nfs/dbraw/zinc/53/96/70/526539670.db2.gz HUWCNQGMJITWDY-HSZRJFAPSA-N 1 0 437.609 3.844 50 0 IHAARO O=C(c1ccc(N2CCC([NH2+]CCC3=CCCCC3)CC2)cc1)N1CCC[C@H](CO)C1 ZINC000012453759 526697184 /nfs/dbraw/zinc/69/71/84/526697184.db2.gz VMZNNHVLFRNJST-QFIPXVFZSA-N 1 0 425.617 3.980 50 0 IHAARO O=C1C[C@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccccc1F ZINC000022808052 527027893 /nfs/dbraw/zinc/02/78/93/527027893.db2.gz LZEJBMNRSOWFDU-DEOSSOPVSA-N 1 0 443.522 3.865 50 0 IHAARO O=C(Cc1ccc(N2CCC([NH2+]CCOc3cccnc3)CC2)cc1)NCc1ccccc1 ZINC000012039010 527236264 /nfs/dbraw/zinc/23/62/64/527236264.db2.gz PSZBPNYNBDAPRS-UHFFFAOYSA-N 1 0 444.579 3.578 50 0 IHAARO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000012584006 527318660 /nfs/dbraw/zinc/31/86/60/527318660.db2.gz KECQZCQJOWNRKH-OAQYLSRUSA-N 1 0 426.524 3.909 50 0 IHAARO O=c1c2c(ncn1Cc1ccccn1)sc1c2CC[C@@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000012247816 527457746 /nfs/dbraw/zinc/45/77/46/527457746.db2.gz MTZVDOYWHWAHRH-GOSISDBHSA-N 1 0 434.540 3.730 50 0 IHAARO Cc1nn(C)c(C)c1C[NH2+]Cc1cc2cc3c(cc2n(Cc2cccc(F)c2)c1=O)OCO3 ZINC000012201083 527636610 /nfs/dbraw/zinc/63/66/10/527636610.db2.gz FXLTVIUSNKPQDV-UHFFFAOYSA-N 1 0 448.498 3.558 50 0 IHAARO O=C(/C=C/c1cccnc1)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012304418 527636874 /nfs/dbraw/zinc/63/68/74/527636874.db2.gz RUGVPLFKQHHTQH-PCUWGRHASA-N 1 0 445.607 3.982 50 0 IHAARO Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)c12 ZINC000022476485 527682658 /nfs/dbraw/zinc/68/26/58/527682658.db2.gz UKOOLZOLAFVUBN-UHFFFAOYSA-N 1 0 430.512 3.541 50 0 IHAARO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)c1ccccc1 ZINC000010080515 535655807 /nfs/dbraw/zinc/65/58/07/535655807.db2.gz MKFHCFHDOQGJPA-DEOSSOPVSA-N 1 0 440.563 3.943 50 0 IHAARO C[NH+]1CCN(c2ccccc2NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1 ZINC000009224207 536424275 /nfs/dbraw/zinc/42/42/75/536424275.db2.gz SFDIDWHMZOOYRP-IBGZPJMESA-N 1 0 440.975 3.583 50 0 IHAARO COCC(=O)N(C[C@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1c1ccccc1OC)C(C)C ZINC000034740912 555883982 /nfs/dbraw/zinc/88/39/82/555883982.db2.gz YDEDBUFEJSWYJC-IRLDBZIGSA-N 1 0 428.548 3.933 50 0 IHAARO COCC(=O)N(C[C@@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1c1ccccc1OC)C(C)C ZINC000034740911 555884010 /nfs/dbraw/zinc/88/40/10/555884010.db2.gz YDEDBUFEJSWYJC-UNMCSNQZSA-N 1 0 428.548 3.933 50 0 IHAARO CC[C@@H](CO)[NH2+]Cc1cc(I)c(OCc2ccccc2)c(OC)c1 ZINC000008437945 556173943 /nfs/dbraw/zinc/17/39/43/556173943.db2.gz WKIMSDPGWMQPSW-INIZCTEOSA-N 1 0 441.309 3.739 50 0 IHAARO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCC(C(=O)c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000036369558 556306209 /nfs/dbraw/zinc/30/62/09/556306209.db2.gz ATJMZTVSABUEJR-XDATZUILSA-N 1 0 437.580 3.866 50 0 IHAARO O=C(c1cc(C2CC2)n[nH]1)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000011664633 556345332 /nfs/dbraw/zinc/34/53/32/556345332.db2.gz PIXRCOIQWFPHRD-XMMPIXPASA-N 1 0 448.611 3.788 50 0 IHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000014047930 556358560 /nfs/dbraw/zinc/35/85/60/556358560.db2.gz CGMGQEHNZKWGFB-GOSISDBHSA-N 1 0 436.478 3.863 50 0 IHAARO CC[C@@H](O)C1CC[NH+](Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)CC1 ZINC000011817614 556359908 /nfs/dbraw/zinc/35/99/08/556359908.db2.gz KAXCXABWGKVTDU-XMMPIXPASA-N 1 0 448.611 3.940 50 0 IHAARO CC[C@H](O)C1CC[NH+](Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)CC1 ZINC000011817615 556360106 /nfs/dbraw/zinc/36/01/06/556360106.db2.gz KAXCXABWGKVTDU-DEOSSOPVSA-N 1 0 448.611 3.940 50 0 IHAARO O=C(c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000011966696 556382105 /nfs/dbraw/zinc/38/21/05/556382105.db2.gz RWXJKVOBNLAHFN-UHFFFAOYSA-N 1 0 446.555 3.890 50 0 IHAARO CCOc1ccccc1C[NH+]1CCC([C@]2(C)NC(=O)N(Cc3ccsc3)C2=O)CC1 ZINC000012035840 556389809 /nfs/dbraw/zinc/38/98/09/556389809.db2.gz RTCMKFRSWRWIHT-QHCPKHFHSA-N 1 0 427.570 3.870 50 0 IHAARO O=C(c1nc(N2CCCC2)nc2c1CCCC2)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000012057273 556394963 /nfs/dbraw/zinc/39/49/63/556394963.db2.gz BCPMWKOFKRFJHJ-UHFFFAOYSA-N 1 0 445.611 3.619 50 0 IHAARO CC(C)CN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1ccccn1)CC2 ZINC000014531784 556420693 /nfs/dbraw/zinc/42/06/93/556420693.db2.gz PMMRRJWEEVCJDX-UHFFFAOYSA-N 1 0 432.568 3.504 50 0 IHAARO CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000014533191 556421977 /nfs/dbraw/zinc/42/19/77/556421977.db2.gz LLCOHVYDTANFFM-UHFFFAOYSA-N 1 0 443.551 3.548 50 0 IHAARO COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](CC1CCCCC1)CC2 ZINC000014533842 556422192 /nfs/dbraw/zinc/42/21/92/556422192.db2.gz GCAQWWFQNONLGL-UHFFFAOYSA-N 1 0 443.588 3.521 50 0 IHAARO CN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1cccc(-c3ccco3)c1)CC2 ZINC000014534213 556422605 /nfs/dbraw/zinc/42/26/05/556422605.db2.gz IZRUYFGYGAGJKL-UHFFFAOYSA-N 1 0 430.508 3.770 50 0 IHAARO CC(C)(C)C[NH+]1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2CCc1ccccc1 ZINC000014537188 556423970 /nfs/dbraw/zinc/42/39/70/556423970.db2.gz IENRBTWPBCMRIS-UHFFFAOYSA-N 1 0 434.584 3.969 50 0 IHAARO CCCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@H+](CCc2ccccc2)C1 ZINC000014733699 556437801 /nfs/dbraw/zinc/43/78/01/556437801.db2.gz PASGCHYUOSRVPQ-LEWJYISDSA-N 1 0 425.548 3.861 50 0 IHAARO Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3o2)[NH+](C)C)cc1 ZINC000028290124 556449587 /nfs/dbraw/zinc/44/95/87/556449587.db2.gz XGOSDESYGGDRHH-QGZVFWFLSA-N 1 0 429.314 3.897 50 0 IHAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3cccc4nccnc34)CC2)O1)c1cccc(F)c1 ZINC000014884832 556454728 /nfs/dbraw/zinc/45/47/28/556454728.db2.gz BGSSZVSBECELLG-OAQYLSRUSA-N 1 0 434.515 3.713 50 0 IHAARO COC(=O)c1ccc(C[NH2+]C2CCN(c3ccc(C(=O)NC4CCCC4)cc3)CC2)cc1 ZINC000014995089 556477298 /nfs/dbraw/zinc/47/72/98/556477298.db2.gz AMOROPZVYJUKOC-UHFFFAOYSA-N 1 0 435.568 3.904 50 0 IHAARO O=c1c2c(ncn1Cc1ccc(F)cc1)sc1c2CC[C@@H]([NH2+]CCc2cccnc2)C1 ZINC000015002896 556480546 /nfs/dbraw/zinc/48/05/46/556480546.db2.gz PNKWWEZWKLROFY-LJQANCHMSA-N 1 0 434.540 3.730 50 0 IHAARO CCn1ncc(C[NH+]2CCC(Oc3ccc(C(=O)NCc4ccccn4)cc3)CC2)c1C ZINC000015063128 556491001 /nfs/dbraw/zinc/49/10/01/556491001.db2.gz BVYMZUNJAVTZQI-UHFFFAOYSA-N 1 0 433.556 3.580 50 0 IHAARO NC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2)C1 ZINC000013149886 556491555 /nfs/dbraw/zinc/49/15/55/556491555.db2.gz CYEBBBMBHFTKCX-ILBGXUMGSA-N 1 0 440.547 3.715 50 0 IHAARO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2cc3ccccc3oc2=O)CC1 ZINC000030254593 556492108 /nfs/dbraw/zinc/49/21/08/556492108.db2.gz OHCLPQYTMKHGCG-UHFFFAOYSA-N 1 0 431.414 3.816 50 0 IHAARO COCc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)CCc3ccc(OC)c(OC)c3)C2)s1 ZINC000015065681 556492763 /nfs/dbraw/zinc/49/27/63/556492763.db2.gz VEZLERFEJLCRJP-GOSISDBHSA-N 1 0 432.586 3.691 50 0 IHAARO O=C(NCC1CC[NH+](CCc2ccccc2)CC1)c1cn(Cc2ccc(Cl)cc2)nn1 ZINC000015073698 556497677 /nfs/dbraw/zinc/49/76/77/556497677.db2.gz SXBIOMIFUWOHJL-UHFFFAOYSA-N 1 0 437.975 3.664 50 0 IHAARO COCCOC1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)CC1 ZINC000015077711 556499908 /nfs/dbraw/zinc/49/99/08/556499908.db2.gz DGAJEZYZAKUBMA-UHFFFAOYSA-N 1 0 449.551 3.955 50 0 IHAARO Cc1nnsc1C(=O)N(C)CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000015079684 556500825 /nfs/dbraw/zinc/50/08/25/556500825.db2.gz SVGKXJDYCVEHPR-UHFFFAOYSA-N 1 0 426.508 3.892 50 0 IHAARO O=C(CCNC(=O)c1ccc(F)cc1F)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000015092605 556503204 /nfs/dbraw/zinc/50/32/04/556503204.db2.gz RKMKKTRDOSBCNK-UHFFFAOYSA-N 1 0 437.490 3.582 50 0 IHAARO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1nn2cc(Br)cnc2c1Cl ZINC000015319711 556519774 /nfs/dbraw/zinc/51/97/74/556519774.db2.gz UPZBPJXOSSLKCU-YPMHNXCESA-N 1 0 427.730 3.567 50 0 IHAARO Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCC(C)(C)[NH+]3CCCCC3)c2)cc1F ZINC000015624432 556538877 /nfs/dbraw/zinc/53/88/77/556538877.db2.gz KNYQGAYZOPOIJE-UHFFFAOYSA-N 1 0 447.576 3.929 50 0 IHAARO CC(C)CCn1c(SCC(=O)NCC[NH+](C(C)C)C(C)C)nc2ccccc2c1=O ZINC000032903698 556540142 /nfs/dbraw/zinc/54/01/42/556540142.db2.gz QOSZTTIJSBNJDN-UHFFFAOYSA-N 1 0 432.634 3.770 50 0 IHAARO O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000032903051 556541840 /nfs/dbraw/zinc/54/18/40/556541840.db2.gz OVGXDICKOMWASK-VQIMIIECSA-N 1 0 449.498 3.899 50 0 IHAARO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1ccc(Cl)cc1 ZINC000032622676 556542919 /nfs/dbraw/zinc/54/29/19/556542919.db2.gz RQXRNRLISGOGGB-SFHVURJKSA-N 1 0 427.888 3.799 50 0 IHAARO COc1cc(CNC(=O)c2ccc(SCC[NH+]3CCCCC3)nc2)cc(OC)c1OC ZINC000015869393 556559891 /nfs/dbraw/zinc/55/98/91/556559891.db2.gz BDQWXSXTCVVIAU-UHFFFAOYSA-N 1 0 445.585 3.615 50 0 IHAARO CN(C(=O)c1cnc(-c2ccc3c(c2)OCO3)nc1Nc1cccc(F)c1)[C@@H]1CC[N@H+](C)C1 ZINC000034921985 556586889 /nfs/dbraw/zinc/58/68/89/556586889.db2.gz ZKEXNQZQLYPSTE-GOSISDBHSA-N 1 0 449.486 3.531 50 0 IHAARO CCOc1ccc(NC(=O)c2c(NC(=O)C[NH2+]C[C@@H]3CCCO3)sc3c2CCC3)cc1 ZINC000016193287 556589067 /nfs/dbraw/zinc/58/90/67/556589067.db2.gz LYBZPSUHESOXIC-KRWDZBQOSA-N 1 0 443.569 3.595 50 0 IHAARO COc1ccc(-c2nc(CC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)cs2)cc1OC ZINC000032986416 556606046 /nfs/dbraw/zinc/60/60/46/556606046.db2.gz BTZFYFCMVLPEER-IBGZPJMESA-N 1 0 437.565 3.761 50 0 IHAARO C[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C(=O)CNC(=O)/C=C/c2cccc(Cl)c2)CC1 ZINC000005057781 556627997 /nfs/dbraw/zinc/62/79/97/556627997.db2.gz HFXXTNQBBOELEE-YFAYCFMXSA-N 1 0 432.008 3.971 50 0 IHAARO CC(C)Cc1nnc(C(=O)Nc2ccc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)cc2)s1 ZINC000033011325 556659853 /nfs/dbraw/zinc/65/98/53/556659853.db2.gz BYRUHMPYWLUIAY-INIZCTEOSA-N 1 0 429.590 3.593 50 0 IHAARO C[N@H+](CCCNC(=O)c1cccc(NC(=O)c2nnc(C3CC3)s2)c1)Cc1ccccc1 ZINC000033023034 556691210 /nfs/dbraw/zinc/69/12/10/556691210.db2.gz QZTDVBBKKYIVNT-UHFFFAOYSA-N 1 0 449.580 3.920 50 0 IHAARO O=C1C[C@@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000019359930 556745639 /nfs/dbraw/zinc/74/56/39/556745639.db2.gz OUQYUAHKJVNISO-XMMPIXPASA-N 1 0 443.522 3.865 50 0 IHAARO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)N1CC[NH+](C2CCCCC2)CC1 ZINC000019371815 556748676 /nfs/dbraw/zinc/74/86/76/556748676.db2.gz PUEALRCJWWDPME-MRXNPFEDSA-N 1 0 444.551 3.761 50 0 IHAARO Cc1nc(Cc2ccccc2)sc1C(=O)NCc1ccc(N2CCC[N@@H+](C)CC2)nc1 ZINC000058106583 556758804 /nfs/dbraw/zinc/75/88/04/556758804.db2.gz KWPNURMQUINWKK-UHFFFAOYSA-N 1 0 435.597 3.509 50 0 IHAARO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000058159654 556764052 /nfs/dbraw/zinc/76/40/52/556764052.db2.gz VOUOZCHHEVVTLG-NRFANRHFSA-N 1 0 426.586 3.816 50 0 IHAARO CCOc1ccc(NC(=O)CN2CCc3cc4c(cc3C2)OCCCO4)cc1OCC ZINC000005349946 556767530 /nfs/dbraw/zinc/76/75/30/556767530.db2.gz LSUXDKPOLPBAMN-UHFFFAOYSA-N 1 0 426.513 3.642 50 0 IHAARO O=S(=O)(c1ccc(Br)s1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000019643207 556838163 /nfs/dbraw/zinc/83/81/63/556838163.db2.gz BCGPRMZEKGSBJH-UHFFFAOYSA-N 1 0 445.448 3.786 50 0 IHAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)c3c(C)onc3-c3ccccc3Cl)CC2)n1 ZINC000067613590 556844336 /nfs/dbraw/zinc/84/43/36/556844336.db2.gz OHANEXHMRWCVCJ-UHFFFAOYSA-N 1 0 440.935 3.796 50 0 IHAARO O=C(CCCc1nc2cccnc2n1Cc1ccc(F)cc1)NCC[NH+]1CCCCCC1 ZINC000033072901 556852464 /nfs/dbraw/zinc/85/24/64/556852464.db2.gz BTNWYDAAMZBUOS-UHFFFAOYSA-N 1 0 437.563 3.934 50 0 IHAARO Cc1ccc(Sc2nccnc2N2CCC[C@@H](C(=O)NCCC[NH+]3CCCC3)C2)cc1 ZINC000033168744 556880897 /nfs/dbraw/zinc/88/08/97/556880897.db2.gz PMXOUZLZYVHMKU-HXUWFJFHSA-N 1 0 439.629 3.755 50 0 IHAARO NS(=O)(=O)c1ccc(CC[NH2+]Cc2cc(Cl)ccc2OCc2ccccc2)cc1 ZINC000019922700 556943883 /nfs/dbraw/zinc/94/38/83/556943883.db2.gz JOFPPGQIKAPUQO-UHFFFAOYSA-N 1 0 430.957 3.899 50 0 IHAARO Cc1cc(O)c([C@@H](c2cccc(Cl)c2)N2CC[NH+](C)CC2)c(=O)n1Cc1ccccc1 ZINC000023086397 556997415 /nfs/dbraw/zinc/99/74/15/556997415.db2.gz UVNOXGJCTANMOV-XMMPIXPASA-N 1 0 437.971 3.901 50 0 IHAARO C[NH+]1CCC2(CC1)C[C@H](NC(=O)CC[C@H]1Cc3ccccc3NC1=O)c1ccccc1O2 ZINC000096997619 557011298 /nfs/dbraw/zinc/01/12/98/557011298.db2.gz ANOOBBDKNIDLQQ-UGKGYDQZSA-N 1 0 433.552 3.682 50 0 IHAARO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)ccc1C ZINC000072034235 557022717 /nfs/dbraw/zinc/02/27/17/557022717.db2.gz RSTZCAZIEXRNCK-OAQYLSRUSA-N 1 0 429.586 3.629 50 0 IHAARO CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CC[NH+](C(C)C)CC2)cc1 ZINC000033278774 557060731 /nfs/dbraw/zinc/06/07/31/557060731.db2.gz WMLXEVGGIXSXCN-UHFFFAOYSA-N 1 0 425.529 3.655 50 0 IHAARO O=c1c2c(ncn1C1Cc3ccccc3C1)sc1c2CC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000023129998 557066792 /nfs/dbraw/zinc/06/67/92/557066792.db2.gz DVWKDFWCICWQSG-LJQANCHMSA-N 1 0 428.561 3.840 50 0 IHAARO COc1ccc(CSc2nccc3c2ccn3CC(=O)NCCC[NH+]2CCCC2)cc1 ZINC000033298654 557074698 /nfs/dbraw/zinc/07/46/98/557074698.db2.gz DXYVCAANEZXUDH-UHFFFAOYSA-N 1 0 438.597 3.939 50 0 IHAARO CC1CC[NH+](CCCNS(=O)(=O)c2ccccc2-c2nc(-c3ccccc3)no2)CC1 ZINC000033307020 557086122 /nfs/dbraw/zinc/08/61/22/557086122.db2.gz ZCFMSTFSRCZBSR-UHFFFAOYSA-N 1 0 440.569 3.804 50 0 IHAARO Cc1sc2nc(CN3CCOCC3)nc(N[C@H](C[NH+](C)C)c3ccccc3)c2c1C ZINC000023936930 557126902 /nfs/dbraw/zinc/12/69/02/557126902.db2.gz TXWAGWFRAIUVLI-LJQANCHMSA-N 1 0 425.602 3.855 50 0 IHAARO CCOc1cc(C[NH2+]C[C@H](c2ccc(OC)cc2)N2CCOCC2)cc(Cl)c1OC ZINC000025262039 557201683 /nfs/dbraw/zinc/20/16/83/557201683.db2.gz RCGAXOJKNVZWSO-OAQYLSRUSA-N 1 0 434.964 3.919 50 0 IHAARO Cc1nn(Cn2ccc(C(=O)N[C@H](CC[NH+](C)C)c3ccc(Cl)cc3)n2)c(C)c1Cl ZINC000072244090 557213380 /nfs/dbraw/zinc/21/33/80/557213380.db2.gz LKLHTUFDILKZPW-GOSISDBHSA-N 1 0 449.386 3.932 50 0 IHAARO COc1cc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc(OC)c1OCc1ccccc1 ZINC000025973325 557231353 /nfs/dbraw/zinc/23/13/53/557231353.db2.gz VVEBGJHTCCNDTE-RTBURBONSA-N 1 0 442.556 3.512 50 0 IHAARO COc1cccc([C@H](CNC(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)[NH+](C)C)c1 ZINC000026244932 557238116 /nfs/dbraw/zinc/23/81/16/557238116.db2.gz JNTQQJLCXVYSDX-IBGZPJMESA-N 1 0 441.553 3.869 50 0 IHAARO C[C@H]([NH2+]CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2ccccc2)cc1 ZINC000014183661 557314200 /nfs/dbraw/zinc/31/42/00/557314200.db2.gz PXIKLHWGRJHBGD-YADARESESA-N 1 0 440.609 3.963 50 0 IHAARO C[C@@H]([NH2+]CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2ccccc2)cc1 ZINC000014183660 557314218 /nfs/dbraw/zinc/31/42/18/557314218.db2.gz PXIKLHWGRJHBGD-NTKDMRAZSA-N 1 0 440.609 3.963 50 0 IHAARO COC(=O)c1ccc(S(=O)(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)cc1 ZINC000024445425 557361324 /nfs/dbraw/zinc/36/13/24/557361324.db2.gz YPGHTRFIAPXOES-UHFFFAOYSA-N 1 0 438.549 3.680 50 0 IHAARO O=C(c1ccsc1)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000575558587 557463010 /nfs/dbraw/zinc/46/30/10/557463010.db2.gz LMKMLKQYNYMYKJ-JOCHJYFZSA-N 1 0 425.598 3.724 50 0 IHAARO COc1ccc([C@@H](CNC(=O)COc2ccc(Br)cc2)[NH+]2CCCC2)cc1 ZINC000012062764 557525844 /nfs/dbraw/zinc/52/58/44/557525844.db2.gz AAQLMSDNAFQARB-HXUWFJFHSA-N 1 0 433.346 3.790 50 0 IHAARO CC[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](CC)CN1C(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000229750998 557832970 /nfs/dbraw/zinc/83/29/70/557832970.db2.gz KVLQSJKAYDQHFE-BJKOFHAPSA-N 1 0 440.632 3.816 50 0 IHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN1c2cc(Cl)ccc2Oc2ncccc2C1=O ZINC000008590396 562951629 /nfs/dbraw/zinc/95/16/29/562951629.db2.gz XLDBDHIJYCTTHA-MRXNPFEDSA-N 1 0 442.947 3.868 50 0 IHAARO CCCn1c2ccccc2c2cnn(CC(=O)NCCC[N@@H+]3CCCC[C@H]3CC)c(=O)c21 ZINC000008591490 562952080 /nfs/dbraw/zinc/95/20/80/562952080.db2.gz NIUJUCTYTVSREC-LJQANCHMSA-N 1 0 437.588 3.532 50 0 IHAARO CCCC[NH+](CCCC)CCNC(=O)Cn1nc(CC)n2c3cc(C)sc3cc2c1=O ZINC000008605060 562956557 /nfs/dbraw/zinc/95/65/57/562956557.db2.gz IPPMAOKAIZTSJP-UHFFFAOYSA-N 1 0 445.633 3.600 50 0 IHAARO COc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCC(C)CC2)n3C)cc1 ZINC000009124472 562967448 /nfs/dbraw/zinc/96/74/48/562967448.db2.gz BZDKDBHJAVWGGZ-UHFFFAOYSA-N 1 0 436.556 3.874 50 0 IHAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(CS(=O)(=O)c2ccccc2OC)o1 ZINC000009731621 562976282 /nfs/dbraw/zinc/97/62/82/562976282.db2.gz KOEADTLCSBQEAB-SFHVURJKSA-N 1 0 448.585 3.647 50 0 IHAARO CCCC[N@H+](C)CCCNC(=O)c1ccc2c(c1)N(CC)C(=O)c1ccccc1[S@]2=O ZINC000015944149 563020133 /nfs/dbraw/zinc/02/01/33/563020133.db2.gz KQPGKBVFQISYOA-HKBQPEDESA-N 1 0 441.597 3.685 50 0 IHAARO O=C(NC1CCCC1)c1ccc(OC2CC[NH+]([C@H]3CN4CCC3CC4)CC2)c(Cl)c1 ZINC000023374646 568613640 /nfs/dbraw/zinc/61/36/40/568613640.db2.gz KAEYKELXYNKSPK-QFIPXVFZSA-N 1 0 432.008 3.950 50 0 IHAARO CC(C)COC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984477 568623249 /nfs/dbraw/zinc/62/32/49/568623249.db2.gz VXZNFRHZEDOISL-DHIUTWEWSA-N 1 0 432.511 3.994 50 0 IHAARO O=C(CSc1nc2ccccc2c(=O)n1C1CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000018965197 568629685 /nfs/dbraw/zinc/62/96/85/568629685.db2.gz PMEGFDVKLNWNKI-UHFFFAOYSA-N 1 0 448.592 3.604 50 0 IHAARO COc1ccc(-c2cnc3ncnn3c2N2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1OC ZINC000025142631 568640147 /nfs/dbraw/zinc/64/01/47/568640147.db2.gz MSLAUDDASHHHCF-SFHVURJKSA-N 1 0 444.539 3.692 50 0 IHAARO O=C(NCC1CC[NH+](Cc2ccsc2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000043941052 568743658 /nfs/dbraw/zinc/74/36/58/568743658.db2.gz GKXCNHDIBQMUPD-UHFFFAOYSA-N 1 0 425.476 3.734 50 0 IHAARO Cn1c(CC[NH+]2CCN(c3ccccn3)CC2)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000019154449 568752466 /nfs/dbraw/zinc/75/24/66/568752466.db2.gz QHQMORXAHPBULT-UHFFFAOYSA-N 1 0 446.599 3.852 50 0 IHAARO Cn1cc(C(=O)N2CCC[C@@H]3C[N@H+](Cc4ccc(F)cc4)CC[C@H]32)c(=O)c2ccccc21 ZINC000299779974 568757042 /nfs/dbraw/zinc/75/70/42/568757042.db2.gz QHBWKIOPBCXCGD-AUSIDOKSSA-N 1 0 433.527 3.804 50 0 IHAARO C[NH+]1CCN(CCN(Cc2ccc(Br)cc2F)C(=O)Nc2ccccc2)CC1 ZINC000083881688 568784245 /nfs/dbraw/zinc/78/42/45/568784245.db2.gz ZJFLUDYQLIAKQX-UHFFFAOYSA-N 1 0 449.368 3.870 50 0 IHAARO CCOC(=O)c1csc(N2[NH2+]C(C=Cc3ccccc3O)=C[C@@]2(O)C(F)(F)F)n1 ZINC000001419327 568791160 /nfs/dbraw/zinc/79/11/60/568791160.db2.gz KUBZHPLMZCIBGK-IWAYRVGRSA-N 1 0 427.404 3.556 50 0 IHAARO CCn1c2ccc(F)cc2c(N2CCCC2=O)c1C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000015681865 568806933 /nfs/dbraw/zinc/80/69/33/568806933.db2.gz QCVXFUJFNAKDGH-QGZVFWFLSA-N 1 0 428.552 3.921 50 0 IHAARO O=C(NCc1ccc2c(c1)OCO2)c1cnn(-c2ccc(Cl)cc2)c1C1CC[NH2+]CC1 ZINC000015726934 568812500 /nfs/dbraw/zinc/81/25/00/568812500.db2.gz BEUZWCKKRQVSBO-UHFFFAOYSA-N 1 0 438.915 3.651 50 0 IHAARO CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C[NH2+][C@H](C)c2cc(C)ccc2C)c1 ZINC000012999212 568897951 /nfs/dbraw/zinc/89/79/51/568897951.db2.gz FBDFSAZHSPTEKY-GOSISDBHSA-N 1 0 447.601 3.632 50 0 IHAARO Ic1ccc2ncnc(N3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000054214516 568926939 /nfs/dbraw/zinc/92/69/39/568926939.db2.gz XHWNDWPVUFCWFU-UHFFFAOYSA-N 1 0 430.293 3.557 50 0 IHAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2nc(-c3ccc(N4CCCCCC4)cc3)no2)C1 ZINC000064746586 568949697 /nfs/dbraw/zinc/94/96/97/568949697.db2.gz PZXLVSZBRKQWPS-LJQANCHMSA-N 1 0 425.577 3.969 50 0 IHAARO COc1ccc(OC)c(/C=C/C(=O)NCCN2CCC([N@H+](C)[C@H]3CCCC[C@H]3C)CC2)c1 ZINC000036091405 568950577 /nfs/dbraw/zinc/95/05/77/568950577.db2.gz JBHCMNNNKJNDTL-OWZYHGTNSA-N 1 0 443.632 3.808 50 0 IHAARO COc1cccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COCc2ccco2)c1 ZINC000036098463 568951884 /nfs/dbraw/zinc/95/18/84/568951884.db2.gz RLCDQNDMSQBVCJ-FQEVSTJZSA-N 1 0 425.481 3.597 50 0 IHAARO CCOC[C@@H](O)C[N@@H+](Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146347 568962458 /nfs/dbraw/zinc/96/24/58/568962458.db2.gz YEHOHOVGEQICLD-UNMCSNQZSA-N 1 0 432.948 3.741 50 0 IHAARO COc1cc(-c2noc([C@@H]([NH2+]C[C@H](O)Cc3ccccc3)C(C)C)n2)cc(OC)c1OC ZINC000036160531 568967348 /nfs/dbraw/zinc/96/73/48/568967348.db2.gz RPVOSNZCVDLJRB-NQIIRXRSSA-N 1 0 441.528 3.653 50 0 IHAARO COCCC[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@@H](O)COC(C)C ZINC000036313016 568998120 /nfs/dbraw/zinc/99/81/20/568998120.db2.gz NLLJSURCPNDMRP-JOCHJYFZSA-N 1 0 445.604 3.956 50 0 IHAARO C[N@H+](CCCNC(=O)c1ccc(-c2ccc(N3CCCC3)nn2)cc1)Cc1ccccc1 ZINC000064989142 569083015 /nfs/dbraw/zinc/08/30/15/569083015.db2.gz ZGUKRXDNQFHAOE-UHFFFAOYSA-N 1 0 429.568 3.996 50 0 IHAARO Cc1ccc(-n2cc3c(c(C(=O)NCC[NH+]4CCC(C)CC4)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000510 569086006 /nfs/dbraw/zinc/08/60/06/569086006.db2.gz IJCOFSIFUALZEF-UHFFFAOYSA-N 1 0 449.595 3.763 50 0 IHAARO Cc1ccc(CNC(=O)Cn2c(=O)c3c(nc2C(C)C)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000065153605 569112081 /nfs/dbraw/zinc/11/20/81/569112081.db2.gz NZPSXVXGBHRYFW-UHFFFAOYSA-N 1 0 444.579 3.550 50 0 IHAARO O=C(Cn1ccc2ccc(N3CCCCC3)nc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000065211887 569117186 /nfs/dbraw/zinc/11/71/86/569117186.db2.gz DUQVOOILASTHKQ-UHFFFAOYSA-N 1 0 431.584 3.807 50 0 IHAARO CCCNc1cc(N2CCC[C@H](CCC(=O)N3CC[NH+](C4CCCCC4)CC3)C2)ncn1 ZINC000065244838 569121581 /nfs/dbraw/zinc/12/15/81/569121581.db2.gz NTOSCBQINRKSPI-OAQYLSRUSA-N 1 0 442.652 3.772 50 0 IHAARO CC(C)c1ccc(Sc2ccc(N3CCC(C(=O)NCC[NH+](C)C)CC3)nn2)cc1 ZINC000065314870 569135746 /nfs/dbraw/zinc/13/57/46/569135746.db2.gz MPGBNTBKZBWABK-UHFFFAOYSA-N 1 0 427.618 3.645 50 0 IHAARO COc1ccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NCC[NH+](C)C)cc2)cc1 ZINC000037279300 569145494 /nfs/dbraw/zinc/14/54/94/569145494.db2.gz TZUWWWYCFNGRLT-UHFFFAOYSA-N 1 0 445.563 3.763 50 0 IHAARO C[NH+](C)CCNc1nc2nn(-c3cccc(F)c3)c(N)c2c(-c2cccc(Cl)c2)n1 ZINC000037358398 569176210 /nfs/dbraw/zinc/17/62/10/569176210.db2.gz WCDMWLNLKBZCLO-UHFFFAOYSA-N 1 0 425.899 3.831 50 0 IHAARO COc1ccc(C(=O)N2CCC3(CC2)C[C@H]([NH+]2CCN(c4ccccc4)CC2)CCO3)cc1 ZINC000581819729 569211641 /nfs/dbraw/zinc/21/16/41/569211641.db2.gz FOJCUUGZDSMJGA-XMMPIXPASA-N 1 0 449.595 3.671 50 0 IHAARO Cc1c(C)c(=O)oc2c(C)c(OCC(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)ccc12 ZINC000253412996 569265962 /nfs/dbraw/zinc/26/59/62/569265962.db2.gz SRUISXRMRXQVJV-PZJWPPBQSA-N 1 0 426.557 3.820 50 0 biogenic IHAARO C[C@H]([NH2+][C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]1C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000253417258 569266566 /nfs/dbraw/zinc/26/65/66/569266566.db2.gz BDHHDZHTZOLZIQ-AJBNAHFZSA-N 1 0 431.577 3.639 50 0 IHAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccccc1I ZINC000027604419 569274783 /nfs/dbraw/zinc/27/47/83/569274783.db2.gz UGPCAXBQLYXFFO-OAHLLOKOSA-N 1 0 426.323 3.920 50 0 IHAARO COc1ccc(OC)c(/C=C/C(=O)NCCN2CCC([N@H+](C)[C@H]3CCCC[C@@H]3C)CC2)c1 ZINC000020241356 569357897 /nfs/dbraw/zinc/35/78/97/569357897.db2.gz JBHCMNNNKJNDTL-VGRCAPRGSA-N 1 0 443.632 3.808 50 0 IHAARO Cc1[nH]c(=O)c(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1-c1ccc(O)cc1 ZINC000095408229 569364805 /nfs/dbraw/zinc/36/48/05/569364805.db2.gz KPELOWPKPUQZGH-UHFFFAOYSA-N 1 0 437.565 3.759 50 0 IHAARO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000095468527 569371378 /nfs/dbraw/zinc/37/13/78/569371378.db2.gz BLWFWIJFBHZIFY-UHFFFAOYSA-N 1 0 448.970 3.938 50 0 IHAARO O=C(COc1ccc(Cl)c2cccnc12)NC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000095983668 569378111 /nfs/dbraw/zinc/37/81/11/569378111.db2.gz QTNRDUDXUXUFCS-UHFFFAOYSA-N 1 0 431.964 3.543 50 0 IHAARO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000095993684 569378489 /nfs/dbraw/zinc/37/84/89/569378489.db2.gz MOKWBPUITPKYFX-NEWSRXKRSA-N 1 0 432.012 3.632 50 0 IHAARO CCn1nc(C)c(-c2cc(C(=O)Nc3ccc4c(c3)nc(C)n4CCC[NH+](C)C)n[nH]2)c1C ZINC000096232636 569387818 /nfs/dbraw/zinc/38/78/18/569387818.db2.gz YYPUVIFTDDOGIU-UHFFFAOYSA-N 1 0 448.575 3.772 50 0 IHAARO CCOc1ccc(-n2nc(C(=O)NCCC[NH+]3CCCCCC3)c3ccccc3c2=O)cc1 ZINC000002943922 569426920 /nfs/dbraw/zinc/42/69/20/569426920.db2.gz IQLFCXWSCLUBEJ-UHFFFAOYSA-N 1 0 448.567 3.780 50 0 IHAARO C[C@H]([NH2+]CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc2ccccc21 ZINC000058171206 569449619 /nfs/dbraw/zinc/44/96/19/569449619.db2.gz OHERXACTJVCZRV-SFHVURJKSA-N 1 0 437.565 3.914 50 0 IHAARO CC[NH+](CC)[C@H](CNC(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1)c1ccsc1 ZINC000031193514 569454672 /nfs/dbraw/zinc/45/46/72/569454672.db2.gz WOCSKJMWOJNWDL-JOCHJYFZSA-N 1 0 428.602 3.865 50 0 IHAARO C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008726295 569472263 /nfs/dbraw/zinc/47/22/63/569472263.db2.gz JXXCWRCDPROSNO-XUZZJYLKSA-N 1 0 449.595 3.718 50 0 IHAARO Cc1ccc(C(=O)N2CCC(C(=O)NCC[N@@H+]3CCC[C@@H](c4ccccc4)C3)CC2)cc1 ZINC000670474235 569473016 /nfs/dbraw/zinc/47/30/16/569473016.db2.gz YKGQAWNPXFLOKM-RUZDIDTESA-N 1 0 433.596 3.843 50 0 IHAARO Cc1ccc(C(=O)N2CCC(C(=O)NCC[N@@H+]3CCC[C@H](c4ccccc4)C3)CC2)cc1 ZINC000670474236 569473062 /nfs/dbraw/zinc/47/30/62/569473062.db2.gz YKGQAWNPXFLOKM-VWLOTQADSA-N 1 0 433.596 3.843 50 0 IHAARO Cc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc1NS(C)(=O)=O ZINC000040108124 569488488 /nfs/dbraw/zinc/48/84/88/569488488.db2.gz NIYVWGVNEOOTIS-KRWDZBQOSA-N 1 0 429.586 3.528 50 0 IHAARO O=C(NCCC[NH+]1CCCC1)c1csc(NC(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000040355595 569499781 /nfs/dbraw/zinc/49/97/81/569499781.db2.gz OGTHHPXPXAEKMB-UHFFFAOYSA-N 1 0 426.464 3.630 50 0 IHAARO O=C(NCC[NH+]1CCCCC1)c1csc(NC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000040355461 569499831 /nfs/dbraw/zinc/49/98/31/569499831.db2.gz YAJMFISLSIYQHE-UHFFFAOYSA-N 1 0 427.357 3.918 50 0 IHAARO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@H]1CCCO1 ZINC000245327081 569503716 /nfs/dbraw/zinc/50/37/16/569503716.db2.gz IRBVFSQTUWEQPF-FGZHOGPDSA-N 1 0 443.588 3.710 50 0 IHAARO CC1CC[NH+](Cc2ccc(NC(=O)Cn3ncc4c5ccccc5[nH]c4c3=O)cc2)CC1 ZINC000009211335 569511735 /nfs/dbraw/zinc/51/17/35/569511735.db2.gz YAOMKYCFTYYCOM-UHFFFAOYSA-N 1 0 429.524 3.748 50 0 IHAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@H](CC(C)C)NC(=O)c3ccccc3C)cc2)CC1 ZINC000009339101 569523689 /nfs/dbraw/zinc/52/36/89/569523689.db2.gz XDPQKURQVZXZTQ-DEOSSOPVSA-N 1 0 436.600 3.920 50 0 IHAARO NC(=O)C1CC[NH+](CCOc2ccc(-c3n[nH]cc3-c3ccc(Cl)cc3)c(O)c2)CC1 ZINC000009410511 569531393 /nfs/dbraw/zinc/53/13/93/569531393.db2.gz WCEWFZNKROSTOP-UHFFFAOYSA-N 1 0 440.931 3.679 50 0 IHAARO CCS(=O)(=O)c1cccc(C(=O)N(CCC[NH+](C)C)c2nc3c(cccc3F)s2)c1 ZINC000009707967 569561787 /nfs/dbraw/zinc/56/17/87/569561787.db2.gz WMQJSXXHXGFGAX-UHFFFAOYSA-N 1 0 449.573 3.828 50 0 IHAARO CCCC[N@H+](CCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)Cc1ccco1 ZINC000009777091 569567097 /nfs/dbraw/zinc/56/70/97/569567097.db2.gz UPKQVZVAQWMNPI-UHFFFAOYSA-N 1 0 436.556 3.748 50 0 IHAARO COc1cc2nc(NCCC[NH+]3CCCCC3)n3nc(-c4cccnc4)nc3c2cc1OC ZINC000009831160 569570194 /nfs/dbraw/zinc/57/01/94/569570194.db2.gz CPUINNKUTSYCCT-UHFFFAOYSA-N 1 0 447.543 3.645 50 0 IHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O ZINC000010284604 569580489 /nfs/dbraw/zinc/58/04/89/569580489.db2.gz FQJWNVUXVNOKQI-UHFFFAOYSA-N 1 0 438.959 3.966 50 0 IHAARO COc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)[NH+](C)C)cc1Cl ZINC000010333686 569581010 /nfs/dbraw/zinc/58/10/10/569581010.db2.gz CSNLYFZRNSQPNK-FQEVSTJZSA-N 1 0 425.916 3.859 50 0 IHAARO COc1ccc(CNC(=O)N2CCC3(CC2)Nc2cccnc2[NH+]=C3NC2CCCC2)cc1 ZINC000105986272 569587023 /nfs/dbraw/zinc/58/70/23/569587023.db2.gz UPWFOVWYMHOGFH-UHFFFAOYSA-N 1 0 448.571 3.822 50 0 IHAARO COCC(=O)N1C[C@H](C[NH+]2CCC(Cc3ccccc3)CC2)[C@H](c2ccccc2OC)C1 ZINC000034698549 569587551 /nfs/dbraw/zinc/58/75/51/569587551.db2.gz VKGUOYYXVPIHIL-UKILVPOCSA-N 1 0 436.596 3.838 50 0 IHAARO COCC(=O)N1C[C@@H](C[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](c2ccccc2OC)C1 ZINC000034698552 569587555 /nfs/dbraw/zinc/58/75/55/569587555.db2.gz VKGUOYYXVPIHIL-NOZRDPDXSA-N 1 0 436.596 3.838 50 0 IHAARO O=C(Cc1c(F)cccc1Cl)N1CCC(O)([C@@H]2CCN3Cc4ccccc4[NH+]=C23)CC1 ZINC000102672550 569588222 /nfs/dbraw/zinc/58/82/22/569588222.db2.gz HDUWPYLRTJOIIC-GOSISDBHSA-N 1 0 441.934 3.941 50 0 IHAARO Cc1cccc(N2CC[N@@H+](CCCNc3nnc4c5ccccc5n(C)c4n3)C[C@@H]2C)c1 ZINC000006781704 132278870 /nfs/dbraw/zinc/27/88/70/132278870.db2.gz BFBFXTRIXNFGSS-IBGZPJMESA-N 1 0 429.572 3.838 50 0 IHAARO Cc1ccc2c(c1)N(C(=O)CCC(=O)NC1CC[NH+](Cc3ccccc3)CC1)C[C@@H](C)O2 ZINC000009287001 132312657 /nfs/dbraw/zinc/31/26/57/132312657.db2.gz WLXPDZWMKIWZOI-HXUWFJFHSA-N 1 0 435.568 3.670 50 0 IHAARO CC[NH+]1CCN(c2ccc(NC(=O)Cc3cc(Cl)c4c(c3)OCCO4)cc2C)CC1 ZINC000010959686 132336846 /nfs/dbraw/zinc/33/68/46/132336846.db2.gz GQDIDCVQLVZNEB-UHFFFAOYSA-N 1 0 429.948 3.743 50 0 IHAARO CC(C)(C)C[NH+]1CCC(Oc2ccc(C(=O)NCCc3cnccn3)cc2Cl)CC1 ZINC000012431065 518663824 /nfs/dbraw/zinc/66/38/24/518663824.db2.gz CWQWVOIUENQRMI-UHFFFAOYSA-N 1 0 430.980 3.992 50 0 IHAARO CCOC(=O)C1CC[NH+](Cc2cc3ccc(Cl)cc3n(Cc3ccccn3)c2=O)CC1 ZINC000012218340 520578256 /nfs/dbraw/zinc/57/82/56/520578256.db2.gz WHQLYTPWRQYGBL-UHFFFAOYSA-N 1 0 439.943 3.873 50 0 IHAARO CC[NH+](CC)C[C@H](O)COc1cc(CN(C)Cc2nc3ccccc3o2)ccc1OC ZINC000012594951 520737839 /nfs/dbraw/zinc/73/78/39/520737839.db2.gz FQYFHTXPKUUCLB-IBGZPJMESA-N 1 0 427.545 3.550 50 0 IHAARO CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CC[N@@H+](C)C[C@@H]12 ZINC000036056320 520896727 /nfs/dbraw/zinc/89/67/27/520896727.db2.gz BFOGSGSBDUJOMY-IRLDBZIGSA-N 1 0 439.357 3.535 50 0 biogenic IHAARO CCC[C@@]1(C2CC[NH+](Cc3c[nH]c4ccccc34)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O ZINC000012154841 520956355 /nfs/dbraw/zinc/95/63/55/520956355.db2.gz XSWRQTSYYFUEJP-NLFFAJNJSA-N 1 0 438.572 3.650 50 0 IHAARO CC1CC[NH+](CCNC(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)CC1 ZINC000021915481 521013967 /nfs/dbraw/zinc/01/39/67/521013967.db2.gz NQPZXBOYJGYFAO-UHFFFAOYSA-N 1 0 434.584 3.985 50 0 IHAARO CC[NH+]1CCC(NC(=O)CSc2nnc(COc3ccccc3)n2CCC(C)C)CC1 ZINC000012901872 521573795 /nfs/dbraw/zinc/57/37/95/521573795.db2.gz WTZWBXUPUWEIEK-UHFFFAOYSA-N 1 0 445.633 3.596 50 0 IHAARO CCCn1c(CN2CC[NH+](CC)CC2)nc2cc(NC(=O)COc3ccccc3)ccc21 ZINC000020678058 521629686 /nfs/dbraw/zinc/62/96/86/521629686.db2.gz XNSFAMAYHACEHX-UHFFFAOYSA-N 1 0 435.572 3.601 50 0 IHAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc(N3CCCC3=O)cc2)CC1 ZINC000015610123 521698533 /nfs/dbraw/zinc/69/85/33/521698533.db2.gz HHZOHCBJGWWJMY-UHFFFAOYSA-N 1 0 440.975 3.790 50 0 IHAARO COc1cc(CN(C)Cc2ccccn2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012317951 522354871 /nfs/dbraw/zinc/35/48/71/522354871.db2.gz NNCFWPPREZQDGV-QHCPKHFHSA-N 1 0 427.589 3.726 50 0 IHAARO CC[C@H](NC(=O)C1CC[NH+](C2CCN(Cc3cccc(C)n3)CC2)CC1)c1ccncc1 ZINC000012434446 522364327 /nfs/dbraw/zinc/36/43/27/522364327.db2.gz IHUPPXZGGBSHCN-VWLOTQADSA-N 1 0 435.616 3.729 50 0 IHAARO COC[C@@H]1CCC[N@H+](Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)C1 ZINC000012317819 522457659 /nfs/dbraw/zinc/45/76/59/522457659.db2.gz DSDIRFAGJKYVRG-JOCHJYFZSA-N 1 0 434.584 3.816 50 0 IHAARO COC(=O)[C@@H](NC(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1)C(C)C ZINC000012570344 523619970 /nfs/dbraw/zinc/61/99/70/523619970.db2.gz ALNFEBYRSNLYID-DEOSSOPVSA-N 1 0 438.568 3.700 50 0 IHAARO CC[C@@]1(C2CC[NH+](Cc3ccc(C)cc3)CC2)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000012135824 523735794 /nfs/dbraw/zinc/73/57/94/523735794.db2.gz CYGLICORLOKYFZ-SANMLTNESA-N 1 0 449.551 3.837 50 0 IHAARO CN1CCC([NH+]2CCC(CN(Cc3ccncc3)C(=O)c3c(F)cccc3F)CC2)CC1 ZINC000012434613 523766992 /nfs/dbraw/zinc/76/69/92/523766992.db2.gz TWWQEKPMQJAFTC-UHFFFAOYSA-N 1 0 442.554 3.808 50 0 IHAARO CN1CCC([NH+]2CCC(Oc3cccc(C(=O)NCc4cccc(F)c4)c3)CC2)CC1 ZINC000012465684 523768093 /nfs/dbraw/zinc/76/80/93/523768093.db2.gz CFSNIRJFSYQSSO-UHFFFAOYSA-N 1 0 425.548 3.693 50 0 IHAARO COc1ccc(CCNC(=O)Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)cc1 ZINC000035598046 523965410 /nfs/dbraw/zinc/96/54/10/523965410.db2.gz QBKKYHQZXPGGGD-UHFFFAOYSA-N 1 0 445.567 3.777 50 0 IHAARO C[C@H](CCNC(=O)c1nnc(C(=O)Nc2cccc(Cl)c2)s1)[NH+]1CCCCCC1 ZINC000033060381 524191584 /nfs/dbraw/zinc/19/15/84/524191584.db2.gz BBCBSGBURMEBLB-CQSZACIVSA-N 1 0 435.981 3.828 50 0 IHAARO Cc1ccc(C)c(S(=O)(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)c1 ZINC000012584819 524192753 /nfs/dbraw/zinc/19/27/53/524192753.db2.gz SIPFOGSZXSYHGC-UHFFFAOYSA-N 1 0 438.391 3.619 50 0 IHAARO COc1ccccc1/C=C/C[N@@H+]1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000012373766 524315679 /nfs/dbraw/zinc/31/56/79/524315679.db2.gz VAGTZIHJUILQTO-BWAMLYQTSA-N 1 0 448.611 3.944 50 0 IHAARO Cc1cccc(C[NH+]2CCC(O)(c3ccc4oc(C(=O)NC[C@@H]5CCCO5)cc4c3)CC2)n1 ZINC000012152567 524389276 /nfs/dbraw/zinc/38/92/76/524389276.db2.gz DAMZOGGKUQBBDA-QFIPXVFZSA-N 1 0 449.551 3.529 50 0 IHAARO COc1ccccc1OC[C@H](O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022802820 524684510 /nfs/dbraw/zinc/68/45/10/524684510.db2.gz YJZFPFOXKGDUEG-XMMPIXPASA-N 1 0 432.564 3.842 50 0 IHAARO COc1ccccc1[C@@H](CNC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C)[NH+]1CCCC1 ZINC000012791914 524734380 /nfs/dbraw/zinc/73/43/80/524734380.db2.gz FTDLFNIQEUXUTD-GGAORHGYSA-N 1 0 441.547 3.542 50 0 IHAARO Cc1ccc(Cn2cc(CCC(=O)NCCCN3CC[NH+](C)CC3)c3ccccc32)cc1 ZINC000020515650 524772127 /nfs/dbraw/zinc/77/21/27/524772127.db2.gz DVQDQTNGIXUQJS-UHFFFAOYSA-N 1 0 432.612 3.684 50 0 IHAARO Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]CCc2cccnc2)C4)cc1 ZINC000012247288 524774515 /nfs/dbraw/zinc/77/45/15/524774515.db2.gz HJOAAVFRXWWKGY-FQEVSTJZSA-N 1 0 430.577 3.899 50 0 IHAARO COc1ccccc1[C@H](CNC(=O)CCc1nc(-c2ccc(C)cc2)no1)[NH+]1CCCC1 ZINC000012797271 524789922 /nfs/dbraw/zinc/78/99/22/524789922.db2.gz QMLAZTGRVZZTDL-NRFANRHFSA-N 1 0 434.540 3.940 50 0 IHAARO C[C@@H](Cc1cccnc1)[NH+]1CCC(Oc2ccc(C(=O)NCc3ccccn3)cc2)CC1 ZINC000012303625 524925389 /nfs/dbraw/zinc/92/53/89/524925389.db2.gz DWQLBKOAXWIYKV-FQEVSTJZSA-N 1 0 430.552 3.881 50 0 IHAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N[C@@H](C)Cc2cnccn2)c1 ZINC000012316093 524925286 /nfs/dbraw/zinc/92/52/86/524925286.db2.gz KMCXJZVZTYUIMW-SFHVURJKSA-N 1 0 438.572 3.632 50 0 IHAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[NH2+]CCN1CCC[C@@H](O)C1 ZINC000020454278 525013655 /nfs/dbraw/zinc/01/36/55/525013655.db2.gz PIOMJFZRRLFHMG-HXUWFJFHSA-N 1 0 426.511 3.672 50 0 IHAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)CCN2CCCC2=O)CC1 ZINC000012448237 525136877 /nfs/dbraw/zinc/13/68/77/525136877.db2.gz IEPUMEOOEMKMCA-UHFFFAOYSA-N 1 0 448.611 3.643 50 0 IHAARO Cc1ccccc1CN1CCC([NH+]2CCC(C(=O)N(C)C[C@@H]3CCCCO3)CC2)CC1 ZINC000012584665 525136914 /nfs/dbraw/zinc/13/69/14/525136914.db2.gz AWFRESAIJIJBFT-VWLOTQADSA-N 1 0 427.633 3.699 50 0 IHAARO C[C@]1(C(=O)NC2CCCCCC2)Cn2c3ccoc3cc2C(=O)N1CCC[NH+]1CCCC1 ZINC000021811817 525201405 /nfs/dbraw/zinc/20/14/05/525201405.db2.gz KVQDZFKQGXYIEA-RUZDIDTESA-N 1 0 440.588 3.774 50 0 IHAARO COc1ccc([C@@H]2CCCN2CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000012796475 525250052 /nfs/dbraw/zinc/25/00/52/525250052.db2.gz ZJPPRXSDTXOVTM-DEOSSOPVSA-N 1 0 437.584 3.622 50 0 IHAARO Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)c2)cc1 ZINC000012605291 525304295 /nfs/dbraw/zinc/30/42/95/525304295.db2.gz BFDGREPCUILVGF-HSZRJFAPSA-N 1 0 437.565 3.829 50 0 IHAARO Cc1ccc(Nc2nc(NC3CC(C)(C)[NH2+]C(C)(C)C3)nc(N3CCOCC3)n2)cc1C ZINC000012235201 525328201 /nfs/dbraw/zinc/32/82/01/525328201.db2.gz UELRDLYFCOCSCI-UHFFFAOYSA-N 1 0 439.608 3.790 50 0 IHAARO C[C@@H]([NH2+]CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccc(-c2ccccc2)cc1 ZINC000012895730 525411106 /nfs/dbraw/zinc/41/11/06/525411106.db2.gz WNWKMQUQGCAIQA-JXHCQPQMSA-N 1 0 434.540 3.536 50 0 IHAARO CSCCc1[nH]c(SCC(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)nc1C ZINC000012372034 525599703 /nfs/dbraw/zinc/59/97/03/525599703.db2.gz GACJRCFVPPWUKA-UHFFFAOYSA-N 1 0 448.702 3.829 50 0 IHAARO COc1cccc(CCc2nnc(CCC(=O)N(C)C3CC(C)(C)[NH2+]C(C)(C)C3)o2)c1 ZINC000012373619 525904519 /nfs/dbraw/zinc/90/45/19/525904519.db2.gz MCLVPKOWLFFDHM-UHFFFAOYSA-N 1 0 428.577 3.564 50 0 IHAARO Cc1ccc(-n2cc(C(=O)N3CCN(CC[NH+]4CCCC4)CC3)c(-c3ccccc3)n2)cc1 ZINC000022786259 525908499 /nfs/dbraw/zinc/90/84/99/525908499.db2.gz NFHREZKIVGRXQF-UHFFFAOYSA-N 1 0 443.595 3.701 50 0 IHAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4cccc(N(C)C)c4)C3)C2)c1OC ZINC000012207508 525937865 /nfs/dbraw/zinc/93/78/65/525937865.db2.gz CCYBUJWXFCSQPY-AREMUKBSSA-N 1 0 437.584 3.898 50 0 IHAARO Cc1cn2cc(CN3C(=O)CC[C@@H]3CC[NH2+]Cc3cc4c(cc3Cl)OCO4)nc2s1 ZINC000012150909 525948611 /nfs/dbraw/zinc/94/86/11/525948611.db2.gz AQDLOIIMLQMJGR-MRXNPFEDSA-N 1 0 446.960 3.757 50 0 IHAARO O=C(NCC[NH+]1CCCCC1)[C@H]1CS[C@@H](C2CCCCC2)N1C(=O)c1cccc(F)c1 ZINC000035703453 526308410 /nfs/dbraw/zinc/30/84/10/526308410.db2.gz MBZMDVZBNTXRPQ-QPPBQGQZSA-N 1 0 447.620 3.892 50 0 IHAARO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nc4c5cnn(-c6ccccc6)c5ncn4n3)C2)cc1 ZINC000022485768 526333751 /nfs/dbraw/zinc/33/37/51/526333751.db2.gz ALVBQRWZZPWZKV-GOSISDBHSA-N 1 0 427.487 3.982 50 0 IHAARO O=C(CC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2F)C1)N1CCN(c2ccccn2)CC1 ZINC000012193674 526569935 /nfs/dbraw/zinc/56/99/35/526569935.db2.gz LSNPBWDDAXMFFB-LJQANCHMSA-N 1 0 428.527 3.701 50 0 IHAARO O=C(c1ccc(N2CCC([NH2+]CCC3=CCCCC3)CC2)cc1)N1CCC[C@@H](CO)C1 ZINC000012453757 526697050 /nfs/dbraw/zinc/69/70/50/526697050.db2.gz VMZNNHVLFRNJST-JOCHJYFZSA-N 1 0 425.617 3.980 50 0 IHAARO Cc1nc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000021793741 526963872 /nfs/dbraw/zinc/96/38/72/526963872.db2.gz ZKNPXGRFODSTSQ-UHFFFAOYSA-N 1 0 444.377 3.500 50 0 IHAARO Cc1nc(N2CCN(C(=O)c3cccc(Br)c3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000021793736 526965112 /nfs/dbraw/zinc/96/51/12/526965112.db2.gz DGRHUGKIVBGKGR-UHFFFAOYSA-N 1 0 444.377 3.500 50 0 IHAARO Cn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccco3)ccc21 ZINC000022804537 527056097 /nfs/dbraw/zinc/05/60/97/527056097.db2.gz YLMLNWRHQXHTTL-UHFFFAOYSA-N 1 0 429.524 3.736 50 0 IHAARO [NH3+]C1(C(=O)N2CC(=O)N(c3cccc(-c4ccccc4)c3)C[C@H]2Cc2ccccc2)CC1 ZINC000091595744 527123947 /nfs/dbraw/zinc/12/39/47/527123947.db2.gz MQULDFTZTCOLME-XMMPIXPASA-N 1 0 425.532 3.631 50 0 IHAARO OCC[C@@H]1C[N@@H+](C2CCN(c3ccc4c(c3)CCC4)CC2)CCN1Cc1cccs1 ZINC000020599610 527564669 /nfs/dbraw/zinc/56/46/69/527564669.db2.gz ZVGFIMIMLYJXRD-XMMPIXPASA-N 1 0 425.642 3.774 50 0 IHAARO OCC[C@H]1C[N@@H+](C2CCN(c3ccc4c(c3)CCC4)CC2)CCN1Cc1cccs1 ZINC000020599611 527571714 /nfs/dbraw/zinc/57/17/14/527571714.db2.gz ZVGFIMIMLYJXRD-DEOSSOPVSA-N 1 0 425.642 3.774 50 0 IHAARO O=C(/C=C/c1cccnc1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012304417 527636588 /nfs/dbraw/zinc/63/65/88/527636588.db2.gz RUGVPLFKQHHTQH-NRXURXQESA-N 1 0 445.607 3.982 50 0 IHAARO COc1ccc(C[NH+]2CCN(c3nc4ccccc4c4nnc(-c5ccco5)n43)CC2)cc1 ZINC000034675372 555794146 /nfs/dbraw/zinc/79/41/46/555794146.db2.gz MBWQIUIPGYJHLT-UHFFFAOYSA-N 1 0 440.507 3.868 50 0 IHAARO O=C(NC1CC[NH+](Cc2ccccc2F)CC1)c1nccnc1NC(=O)C1CCCCC1 ZINC000034717011 555866734 /nfs/dbraw/zinc/86/67/34/555866734.db2.gz MIWLOOZUMRTLHO-UHFFFAOYSA-N 1 0 439.535 3.529 50 0 IHAARO Cc1c(Br)c(C(=O)Nc2nc3ccccc3n2CC[NH+]2CCCCC2)nn1C ZINC000002764883 556136393 /nfs/dbraw/zinc/13/63/93/556136393.db2.gz RXTCDXPYQIIRKS-UHFFFAOYSA-N 1 0 445.365 3.579 50 0 IHAARO COc1ccc(CC[NH2+]Cc2ccc(Oc3nnnn3-c3ccccc3)c(OC)c2)cc1 ZINC000013729721 556294721 /nfs/dbraw/zinc/29/47/21/556294721.db2.gz DXPOVEOOQDXIMK-UHFFFAOYSA-N 1 0 431.496 3.804 50 0 IHAARO CCc1ccc([C@@H](CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)[NH+](C)C)cc1 ZINC000032734042 556305623 /nfs/dbraw/zinc/30/56/23/556305623.db2.gz GJAROOXLKXSQPM-FYYLOGMGSA-N 1 0 425.548 3.659 50 0 IHAARO O=C(Cc1csc(NC(=O)c2cccs2)n1)NCc1ccccc1C[NH+]1CCCC1 ZINC000014068459 556360061 /nfs/dbraw/zinc/36/00/61/556360061.db2.gz QRTOHZGXQLXROP-UHFFFAOYSA-N 1 0 440.594 3.912 50 0 IHAARO CSc1ccc(CC(=O)NC[C@@H]2CCC3(CC[NH+](Cc4ccccn4)CC3)O2)cc1 ZINC000011839661 556364268 /nfs/dbraw/zinc/36/42/68/556364268.db2.gz BZVVTLZHRWQVLS-NRFANRHFSA-N 1 0 425.598 3.676 50 0 IHAARO CCOC(=O)N1CCC(NC(=O)[C@H]2CC23CC[NH+](C/C(C)=C/c2ccco2)CC3)CC1 ZINC000011840072 556364756 /nfs/dbraw/zinc/36/47/56/556364756.db2.gz IQNXQGDRUYBJKD-BKBDBRRMSA-N 1 0 429.561 3.522 50 0 IHAARO CCOC(=O)c1ccc(CN2C(=O)CC[C@H]2CC[NH2+]Cc2cc3c(cc2Cl)OCO3)o1 ZINC000011872763 556369459 /nfs/dbraw/zinc/36/94/59/556369459.db2.gz HTVPOUSOPZURBY-HNNXBMFYSA-N 1 0 448.903 3.509 50 0 IHAARO CCc1cc(CNC(=O)c2cc(OC)ccc2OC2CC[NH+](C3CCCC3)CC2)on1 ZINC000011874647 556370648 /nfs/dbraw/zinc/37/06/48/556370648.db2.gz IAOGKMJCYDEGPX-UHFFFAOYSA-N 1 0 427.545 3.961 50 0 IHAARO COc1ccccc1OCC(=O)NC[C@@H]1CCC2(CC[NH+](Cc3ccccc3F)CC2)O1 ZINC000011966491 556382080 /nfs/dbraw/zinc/38/20/80/556382080.db2.gz CDBGMTIWSBMVDY-FQEVSTJZSA-N 1 0 442.531 3.543 50 0 IHAARO COc1ccccc1CCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc3nsnc3c1)CC2 ZINC000011968051 556382166 /nfs/dbraw/zinc/38/21/66/556382166.db2.gz HGBUFMHWYSNPOO-LJQANCHMSA-N 1 0 436.581 3.661 50 0 IHAARO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000014188112 556386946 /nfs/dbraw/zinc/38/69/46/556386946.db2.gz XRMVZGDEMUMNQV-GOSISDBHSA-N 1 0 435.524 3.593 50 0 IHAARO CCOc1ccccc1C[NH+]1CCC([C@@]2(C)NC(=O)N(Cc3ccsc3)C2=O)CC1 ZINC000012035834 556389832 /nfs/dbraw/zinc/38/98/32/556389832.db2.gz RTCMKFRSWRWIHT-HSZRJFAPSA-N 1 0 427.570 3.870 50 0 IHAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC000012076428 556397889 /nfs/dbraw/zinc/39/78/89/556397889.db2.gz DWCICXFMNAVFOF-UHFFFAOYSA-N 1 0 426.557 3.732 50 0 IHAARO CSC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CCCc1cccnc1)C(=O)N2CC(C)C ZINC000014533455 556421935 /nfs/dbraw/zinc/42/19/35/556421935.db2.gz NNRXHWVGHVSASE-IBGZPJMESA-N 1 0 432.634 3.521 50 0 IHAARO CC(C)[NH+](CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)C(C)C ZINC000014661687 556431175 /nfs/dbraw/zinc/43/11/75/556431175.db2.gz VYRXCRGUKKCTDC-UHFFFAOYSA-N 1 0 444.041 3.753 50 0 IHAARO CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](Cc1cc3ccccc3[nH]1)CC2 ZINC000014741974 556439102 /nfs/dbraw/zinc/43/91/02/556439102.db2.gz XVUSNRDQHDOJAJ-UHFFFAOYSA-N 1 0 446.551 3.995 50 0 IHAARO CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](Cc1ccc(OC)cc1)CC2 ZINC000014743583 556439692 /nfs/dbraw/zinc/43/96/92/556439692.db2.gz PAQRZKLWBXNHQC-UHFFFAOYSA-N 1 0 437.540 3.523 50 0 IHAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)CC2 ZINC000014744403 556440424 /nfs/dbraw/zinc/44/04/24/556440424.db2.gz UARATEBPQGKUCI-INIZCTEOSA-N 1 0 446.473 3.951 50 0 IHAARO CCn1nc(C(=O)NCc2ccncc2)c2c1CC[C@@H]([N@H+]1CC=C(c3ccccc3)CC1)C2 ZINC000014747469 556441995 /nfs/dbraw/zinc/44/19/95/556441995.db2.gz RQNVVKYTNZNRKW-HSZRJFAPSA-N 1 0 441.579 3.875 50 0 IHAARO CC[NH+](CC)CCN(C)C(=O)c1cnn(-c2nccc(-c3cc4ccccc4o3)n2)c1C ZINC000014886046 556455551 /nfs/dbraw/zinc/45/55/51/556455551.db2.gz SOZCYAUPVMWWAI-UHFFFAOYSA-N 1 0 432.528 3.798 50 0 IHAARO O=C(NC[C@H]1CCCO1)c1cc2cc(C3(O)CC[NH+](Cc4ccccc4)CC3)ccc2o1 ZINC000014956861 556462723 /nfs/dbraw/zinc/46/27/23/556462723.db2.gz QFHFQOSYNQBRBJ-JOCHJYFZSA-N 1 0 434.536 3.825 50 0 IHAARO O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000013126887 556475421 /nfs/dbraw/zinc/47/54/21/556475421.db2.gz GIDLZNNWZHGJMQ-FQEVSTJZSA-N 1 0 444.560 3.516 50 0 IHAARO Cc1cccc(C[NH+]2CCC3(C[C@H]3C(=O)NCC3(c4ccccc4)CCOCC3)CC2)n1 ZINC000015006693 556481921 /nfs/dbraw/zinc/48/19/21/556481921.db2.gz CFSOIHFZNZWWGU-DEOSSOPVSA-N 1 0 433.596 3.857 50 0 IHAARO COc1ccc2cc(-c3n[nH]cc3CN3CCC([N@@H+]4CCC[C@H](CO)C4)CC3)ccc2c1 ZINC000015069787 556494949 /nfs/dbraw/zinc/49/49/49/556494949.db2.gz OVPWWGRRATUIHG-IBGZPJMESA-N 1 0 434.584 3.907 50 0 IHAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@](CCOc3ccccc3)(C(=O)OCC)C2)CC1 ZINC000015075626 556499104 /nfs/dbraw/zinc/49/91/04/556499104.db2.gz KUJFSNRAMUNKSR-XMMPIXPASA-N 1 0 432.561 3.722 50 0 IHAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(C(=O)NCCc3ccccc3)C2)cc1OC ZINC000015078963 556500335 /nfs/dbraw/zinc/50/03/35/556500335.db2.gz UIXYGVNKNYJVGR-QFIPXVFZSA-N 1 0 425.573 3.595 50 0 IHAARO COc1cc(C[C@H]2CC(C[NH2+]CCc3c[nH]c4ccc(F)cc34)=NO2)cc2c1OCO2 ZINC000015085769 556502253 /nfs/dbraw/zinc/50/22/53/556502253.db2.gz YBUNAHZFBJECEU-SFHVURJKSA-N 1 0 425.460 3.564 50 0 IHAARO Cc1ccc(C(=O)N2CCC3(CC2)Nc2cccnc2[NH+]=C3NCc2ccccc2)cn1 ZINC000065265656 556523984 /nfs/dbraw/zinc/52/39/84/556523984.db2.gz WYAGVFQONHRUFX-UHFFFAOYSA-N 1 0 426.524 3.705 50 0 IHAARO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](C(C)C)[NH2+][C@]23C(=O)Nc2c3cc(C)cc2C)c1 ZINC000013592091 556529961 /nfs/dbraw/zinc/52/99/61/556529961.db2.gz HNMUDJHLYXDGRA-RRQZXNHTSA-N 1 0 437.540 3.741 50 0 IHAARO COc1ccc(NC(=O)[C@@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)c2ccccc2)cc1 ZINC000032899564 556531042 /nfs/dbraw/zinc/53/10/42/556531042.db2.gz RKMHQEGGEDDRMP-QHCPKHFHSA-N 1 0 433.508 3.862 50 0 IHAARO c1c(COc2ccc(C[NH2+]C[C@H]3CN(Cc4ccccc4)CCO3)cc2)nc2ccccn12 ZINC000015568509 556535323 /nfs/dbraw/zinc/53/53/23/556535323.db2.gz WCCOBVGMMUXEBI-SANMLTNESA-N 1 0 442.563 3.904 50 0 IHAARO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016000819 556572627 /nfs/dbraw/zinc/57/26/27/556572627.db2.gz YPHXLCSUUWHSJE-PBQROFAYSA-N 1 0 449.938 3.696 50 0 IHAARO CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016033763 556577098 /nfs/dbraw/zinc/57/70/98/556577098.db2.gz FPNPKKNUBZDJTB-XVIHEJCXSA-N 1 0 449.938 3.642 50 0 IHAARO Cc1ccc(C[NH2+]Cc2ccc(OC[C@H](O)c3ccc4c(c3)n(C)c(=O)n4C)cc2)cc1 ZINC000016292420 556598078 /nfs/dbraw/zinc/59/80/78/556598078.db2.gz RYBQCEZHIIKYGK-VWLOTQADSA-N 1 0 431.536 3.588 50 0 IHAARO COc1ccccc1/C=C1/Oc2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2NC1=O ZINC000032983736 556602266 /nfs/dbraw/zinc/60/22/66/556602266.db2.gz YNLXWVIKGOUWFV-HAVVHWLPSA-N 1 0 435.524 3.673 50 0 IHAARO CC(=O)N1CCC([NH+]2CCC(n3nccc3NC(=O)Nc3ccccc3Cl)CC2)CC1 ZINC000011839063 556659904 /nfs/dbraw/zinc/65/99/04/556659904.db2.gz QSHGLKIMRQDSFY-UHFFFAOYSA-N 1 0 444.967 3.828 50 0 IHAARO Cc1ccc(-c2cc(C(=O)N3CCC[C@H]([NH+]4CCN(c5ccccc5C)CC4)C3)[nH]n2)o1 ZINC000042926083 556660045 /nfs/dbraw/zinc/66/00/45/556660045.db2.gz WEHXLTOWGCQJRT-FQEVSTJZSA-N 1 0 433.556 3.713 50 0 IHAARO Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCC[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000032931457 556675383 /nfs/dbraw/zinc/67/53/83/556675383.db2.gz IIENPDMEMXZVOY-GOSISDBHSA-N 1 0 429.586 3.566 50 0 IHAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc(CN3C(=O)CSc4ncccc43)cc2)C1 ZINC000032932250 556677153 /nfs/dbraw/zinc/67/71/53/556677153.db2.gz QCFINDDJLQFJJT-SFHVURJKSA-N 1 0 438.597 3.572 50 0 IHAARO CCOC(=O)C1([C@H](C)[NH2+]CC[C@](C)(O)c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000252504216 556691143 /nfs/dbraw/zinc/69/11/43/556691143.db2.gz VIIZRUZVQXGLLA-CYFREDJKSA-N 1 0 448.604 3.843 50 0 IHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(NC(=O)c2nnc(C3CC3)s2)c1 ZINC000033023044 556691504 /nfs/dbraw/zinc/69/15/04/556691504.db2.gz HRWGPLQMBZFURC-HNNXBMFYSA-N 1 0 427.574 3.662 50 0 IHAARO CCCN(C(=O)c1ccc(C)c(NS(C)(=O)=O)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000060347642 556717015 /nfs/dbraw/zinc/71/70/15/556717015.db2.gz RUOBJZUOLFCWLP-QFIPXVFZSA-N 1 0 443.613 3.883 50 0 IHAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(Cc3ccc4nsnc4c3)C2)cc1OC ZINC000019229054 556717769 /nfs/dbraw/zinc/71/77/69/556717769.db2.gz FXVIYYJFVAAEHL-LJQANCHMSA-N 1 0 426.586 3.847 50 0 IHAARO COc1ccccc1CCC(=O)N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055090634 556734420 /nfs/dbraw/zinc/73/44/20/556734420.db2.gz WCRFVOFSIDYQGH-HSZRJFAPSA-N 1 0 425.548 3.580 50 0 IHAARO Cc1csc2nc(C[N@@H+]3CCCC[C@H]3[C@@H]3CCCN3C(=O)OC(C)(C)C)cc(=O)n12 ZINC000058133679 556760434 /nfs/dbraw/zinc/76/04/34/556760434.db2.gz FTFLKOBZRCPQIJ-ROUUACIJSA-N 1 0 432.590 3.818 50 0 IHAARO O=C(CSc1ccc(F)c(F)c1)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000058156851 556762829 /nfs/dbraw/zinc/76/28/29/556762829.db2.gz GQDZFUUDOBBGDQ-SFHVURJKSA-N 1 0 446.567 3.513 50 0 IHAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000058159584 556763757 /nfs/dbraw/zinc/76/37/57/556763757.db2.gz NTHLFCUCBZHDBA-QFIPXVFZSA-N 1 0 446.595 3.738 50 0 IHAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000058159582 556763836 /nfs/dbraw/zinc/76/38/36/556763836.db2.gz NTHLFCUCBZHDBA-JOCHJYFZSA-N 1 0 446.595 3.738 50 0 IHAARO CC[NH+](CC)CCn1ccc2cc(NC(=O)CCN3C(=O)COc4ccccc43)ccc21 ZINC000058180690 556770317 /nfs/dbraw/zinc/77/03/17/556770317.db2.gz ANYLUTHVVXWMSZ-UHFFFAOYSA-N 1 0 434.540 3.737 50 0 IHAARO Cc1nnc(-c2cccc(NC(=O)C3CC[NH+](Cc4cnc(N(C)C)s4)CC3)c2)s1 ZINC000059471979 556801581 /nfs/dbraw/zinc/80/15/81/556801581.db2.gz DFFITODXZSKQRI-UHFFFAOYSA-N 1 0 442.614 3.887 50 0 IHAARO OCC[NH2+]CCSc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1 ZINC000003318543 556810001 /nfs/dbraw/zinc/81/00/01/556810001.db2.gz NBKGUIQEUCGPQK-UHFFFAOYSA-N 1 0 425.396 3.887 50 0 IHAARO CCOc1cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)ccc1OCc1ccccc1 ZINC000019632074 556832965 /nfs/dbraw/zinc/83/29/65/556832965.db2.gz SOEYUDFSHJCWTE-UHFFFAOYSA-N 1 0 440.565 3.644 50 0 IHAARO Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2CC[NH+]2CCCCC2)cc1 ZINC000008684250 556844453 /nfs/dbraw/zinc/84/44/53/556844453.db2.gz WWXXUMWRGBUFPX-UHFFFAOYSA-N 1 0 436.585 3.865 50 0 IHAARO CCOCCC[N@@H+]1CC[C@@H](NCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@H](C)C1 ZINC000097164306 556994476 /nfs/dbraw/zinc/99/44/76/556994476.db2.gz CCMPERODMHCLKH-XMSQKQJNSA-N 1 0 448.007 3.943 50 0 IHAARO O=C(c1nn(-c2ccccc2)c(=O)c2ccccc21)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000010707792 557019346 /nfs/dbraw/zinc/01/93/46/557019346.db2.gz BNFWKLMWPVQSKN-UHFFFAOYSA-N 1 0 438.531 3.734 50 0 IHAARO Cc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1S(=O)(=O)NCc1ccccc1 ZINC000010817515 557029804 /nfs/dbraw/zinc/02/98/04/557029804.db2.gz IBECPIBGTUXPIB-UHFFFAOYSA-N 1 0 443.613 3.513 50 0 IHAARO Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCC[N@H+]4CCCC[C@H]4C)nc3n2)cc1 ZINC000033271837 557050045 /nfs/dbraw/zinc/05/00/45/557050045.db2.gz XIIUMANUJQOQHG-OAHLLOKOSA-N 1 0 446.477 3.723 50 0 IHAARO COc1ccc2[nH+]c(C)cc(N3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)c2c1 ZINC000048304297 557059245 /nfs/dbraw/zinc/05/92/45/557059245.db2.gz HXXSQDSBHCMGLZ-UHFFFAOYSA-N 1 0 437.974 3.778 50 0 IHAARO Cc1nc(COc2ccccc2C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)no1 ZINC000048299964 557062030 /nfs/dbraw/zinc/06/20/30/557062030.db2.gz AOBQMRCTRRSNMP-HXUWFJFHSA-N 1 0 448.523 3.675 50 0 IHAARO Cc1nc(COc2ccccc2C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)no1 ZINC000048299966 557062071 /nfs/dbraw/zinc/06/20/71/557062071.db2.gz AOBQMRCTRRSNMP-FQEVSTJZSA-N 1 0 448.523 3.675 50 0 IHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2ccc(CS(C)(=O)=O)cc2)C1 ZINC000048344579 557071671 /nfs/dbraw/zinc/07/16/71/557071671.db2.gz ZZQZEOSPTSJZGI-KDURUIRLSA-N 1 0 428.598 3.639 50 0 IHAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccc(-c2nccnc2N2CCCCC2)cc1 ZINC000033313164 557098317 /nfs/dbraw/zinc/09/83/17/557098317.db2.gz CIJRYPDSQZGYJA-UHFFFAOYSA-N 1 0 441.579 3.922 50 0 IHAARO Cc1cccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@H]34)CC2)c1C ZINC000049586709 557116545 /nfs/dbraw/zinc/11/65/45/557116545.db2.gz IYVNGAUMUARQSV-DXUQQPRSSA-N 1 0 438.612 3.710 50 0 biogenic IHAARO COc1cc(CCC2CC[NH+](Cc3cc(=O)n4c(C)csc4n3)CC2)cc(OC)c1 ZINC000011413639 557144134 /nfs/dbraw/zinc/14/41/34/557144134.db2.gz UQAMXFBOBIZHFK-UHFFFAOYSA-N 1 0 427.570 3.926 50 0 IHAARO CC[C@](C)(C(=O)Nc1cc(OC)cc(OC)c1)N(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(C)=O ZINC000043883970 557147329 /nfs/dbraw/zinc/14/73/29/557147329.db2.gz POZFQCFCTQXDEA-RZPHLTDDSA-N 1 0 445.604 3.924 50 0 IHAARO CN1c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc2C(=O)N2CCCCC[C@@H]12 ZINC000583648981 557241962 /nfs/dbraw/zinc/24/19/62/557241962.db2.gz GZSJEXRZRYEQRV-VWLOTQADSA-N 1 0 446.595 3.873 50 0 IHAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000026567670 557245235 /nfs/dbraw/zinc/24/52/35/557245235.db2.gz JHKXOVUXEFIKDS-OAQYLSRUSA-N 1 0 442.563 3.892 50 0 IHAARO CC(C)OCCNC(=O)c1cc(N2CC[NH+](Cc3ccccc3)CC2)nc2ccccc21 ZINC000023322910 557281626 /nfs/dbraw/zinc/28/16/26/557281626.db2.gz MNNCXFCJNICVJH-UHFFFAOYSA-N 1 0 432.568 3.712 50 0 IHAARO COc1ccc([C@H](CNC(=O)[C@H](C)n2ccc3ccccc3c2=O)[NH+]2CCCCC2)cc1 ZINC000225747488 557772201 /nfs/dbraw/zinc/77/22/01/557772201.db2.gz XFVOTQLUMXBOJM-CYFREDJKSA-N 1 0 433.552 3.915 50 0 IHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)[C@H](N2CCCCC2)S3)C1 ZINC000004035482 562941155 /nfs/dbraw/zinc/94/11/55/562941155.db2.gz IDTSOTQCVWNYBM-NXMSCROESA-N 1 0 444.645 3.641 50 0 IHAARO CC(C)[N@H+](CCCNC(=O)Cn1c2ccccc2n2cccc2c1=O)Cc1ccccc1 ZINC000009406255 562970142 /nfs/dbraw/zinc/97/01/42/562970142.db2.gz BOUKBKBORAPSDZ-UHFFFAOYSA-N 1 0 430.552 3.671 50 0 IHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000009596695 562973761 /nfs/dbraw/zinc/97/37/61/562973761.db2.gz NMHLIZASBYGQSS-NRFANRHFSA-N 1 0 439.537 3.647 50 0 IHAARO COc1ccc(C[N@@H+]2CCN(Cc3cccn3-c3cccnc3)C[C@@H]2CCO)c(C)c1C ZINC000023374697 568613861 /nfs/dbraw/zinc/61/38/61/568613861.db2.gz HYNNVWQFWFMRDK-DEOSSOPVSA-N 1 0 434.584 3.567 50 0 IHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000105000618 568623821 /nfs/dbraw/zinc/62/38/21/568623821.db2.gz FFZFHXXZJAAICC-URXFXBBRSA-N 1 0 448.696 3.506 50 0 IHAARO CCOc1c(Cl)cc(C[NH2+]C[C@H](c2ccc(OC)cc2)N2CCOCC2)cc1OC ZINC000025262060 568649605 /nfs/dbraw/zinc/64/96/05/568649605.db2.gz BSRIMDAANLZALJ-OAQYLSRUSA-N 1 0 434.964 3.919 50 0 IHAARO COc1cc(C[NH2+]C[C@H](c2cccs2)N2CCOCC2)cc(OC)c1OC(F)F ZINC000025261351 568649620 /nfs/dbraw/zinc/64/96/20/568649620.db2.gz RGXSBJJHBFEZJE-OAHLLOKOSA-N 1 0 428.501 3.530 50 0 IHAARO COc1cc2cc(C[NH2+]Cc3cn(C)nc3C)c(=O)n(Cc3ccc(C)cc3)c2cc1OC ZINC000299756628 568755550 /nfs/dbraw/zinc/75/55/50/568755550.db2.gz GEAFUWKMNDVZMP-UHFFFAOYSA-N 1 0 446.551 3.707 50 0 IHAARO COc1ccc2c(C)nc(N3CCC([NH2+]CC[C@@H]4COc5ccccc5O4)CC3)nc2c1 ZINC000299759870 568755681 /nfs/dbraw/zinc/75/56/81/568755681.db2.gz OIBMKOUXDFXDNJ-HXUWFJFHSA-N 1 0 434.540 3.735 50 0 IHAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2CCc2nc3cc(Cl)ccc3[nH]2)c1 ZINC000299788669 568757685 /nfs/dbraw/zinc/75/76/85/568757685.db2.gz ZHIBYDWMLYCMTJ-GOSISDBHSA-N 1 0 426.948 3.938 50 0 IHAARO CC[NH+](CC)[C@H](CNC(=O)CSc1nc2ccccc2n1CCOC)c1ccco1 ZINC000084771096 568801026 /nfs/dbraw/zinc/80/10/26/568801026.db2.gz CBBQLGSIPUJUPX-LJQANCHMSA-N 1 0 430.574 3.567 50 0 IHAARO CC(C)[N@H+](CCCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCC1)Cc1ccccc1 ZINC000015677600 568804530 /nfs/dbraw/zinc/80/45/30/568804530.db2.gz PNSCQSQRRMPQGJ-UHFFFAOYSA-N 1 0 432.568 3.763 50 0 IHAARO COc1ccc(CN2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)cc1OC ZINC000015779239 568824821 /nfs/dbraw/zinc/82/48/21/568824821.db2.gz XMTUPNMVGGDNBS-UHFFFAOYSA-N 1 0 434.496 3.567 50 0 IHAARO O=C(C[C@@H]1COc2ccccc2N1Cc1ccc(F)cc1)NCCC[NH+]1CCCCC1 ZINC000085648805 568830745 /nfs/dbraw/zinc/83/07/45/568830745.db2.gz MEAXEIOREAULPP-JOCHJYFZSA-N 1 0 425.548 3.976 50 0 IHAARO CCN1CCc2c(sc(NC(=O)c3ccc(Br)s3)c2C(=O)OC)C1 ZINC000015823464 568840265 /nfs/dbraw/zinc/84/02/65/568840265.db2.gz VLVFRDZKBZTMNR-UHFFFAOYSA-N 1 0 429.361 3.989 50 0 IHAARO COc1ccc(Nc2cc(C)nc(N3CCN(C(=O)Nc4cccc(OC)c4)CC3)n2)cc1 ZINC000015825064 568840567 /nfs/dbraw/zinc/84/05/67/568840567.db2.gz ZEKUHKNIAXZQAW-UHFFFAOYSA-N 1 0 448.527 3.900 50 0 IHAARO COc1ccc(OC[C@H](O)C[N@H+](Cc2cccs2)Cc2ccc3c(c2)OCO3)cc1 ZINC000036103479 568952943 /nfs/dbraw/zinc/95/29/43/568952943.db2.gz XEUIQGSDCRYONS-GOSISDBHSA-N 1 0 427.522 3.928 50 0 IHAARO CCCCOc1ccc(C(=O)N2CCN(c3cc(C)[nH+]c(N4CCCCC4)n3)CC2)cc1 ZINC000064799789 568961266 /nfs/dbraw/zinc/96/12/66/568961266.db2.gz ARNHUHGQFMNPRH-UHFFFAOYSA-N 1 0 437.588 3.917 50 0 IHAARO COc1cc(-c2noc([C@H]([NH2+]C[C@H](O)Cc3ccccc3)C(C)C)n2)cc(OC)c1OC ZINC000036160535 568967441 /nfs/dbraw/zinc/96/74/41/568967441.db2.gz RPVOSNZCVDLJRB-WIYYLYMNSA-N 1 0 441.528 3.653 50 0 IHAARO COc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](CC(C)C)C[C@@H](C)O ZINC000169680066 568990823 /nfs/dbraw/zinc/99/08/23/568990823.db2.gz BDYWWGJTTAKZBT-UYAOXDASSA-N 1 0 446.613 3.600 50 0 IHAARO Cc1ccc(Cc2c(C)nc(C)nc2N2CC[NH+](C[C@@H](O)Cc3ccccc3)CC2)cc1 ZINC000036340480 569078951 /nfs/dbraw/zinc/07/89/51/569078951.db2.gz HGHFCJDDGZPPNF-VWLOTQADSA-N 1 0 430.596 3.718 50 0 IHAARO CCc1nc(C)nc(N2CC[NH+](C[C@H](O)Cc3ccccc3)CC2)c1Cc1ccc(C)cc1 ZINC000036340625 569078983 /nfs/dbraw/zinc/07/89/83/569078983.db2.gz YYMYTBRNYITPSL-RUZDIDTESA-N 1 0 444.623 3.972 50 0 IHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccccc2OC)CC1 ZINC000036341389 569079331 /nfs/dbraw/zinc/07/93/31/569079331.db2.gz MKUATGFQHVZGFZ-QFIPXVFZSA-N 1 0 440.975 3.664 50 0 IHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccccc3OC)C[C@@H]2c2cc(C)ccc2C)CC1 ZINC000036344673 569080309 /nfs/dbraw/zinc/08/03/09/569080309.db2.gz KXWOFYMASZJJPD-XMMPIXPASA-N 1 0 434.584 3.627 50 0 IHAARO Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC([C@H](C)C(=O)NCC[NH+](C)C)CC1 ZINC000065006478 569087029 /nfs/dbraw/zinc/08/70/29/569087029.db2.gz OTFAVTHQGIMVOJ-KRWDZBQOSA-N 1 0 442.629 3.593 50 0 IHAARO Cc1nn(-c2cccc(C)c2)c2nc(N(C)CC(=O)NCC[NH+]3CCCCCC3)sc12 ZINC000065294154 569131290 /nfs/dbraw/zinc/13/12/90/569131290.db2.gz RJIBZVNZBMOLSV-UHFFFAOYSA-N 1 0 440.617 3.527 50 0 IHAARO CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)cc1 ZINC000170596687 569141753 /nfs/dbraw/zinc/14/17/53/569141753.db2.gz BEKJBJSRSMKBFB-HSZRJFAPSA-N 1 0 429.992 3.985 50 0 IHAARO CCOc1c(Cl)cc(C(=O)N2C[C@@H](CC)[N@H+](CC(C)(C)O)C[C@@H]2CC)cc1OC ZINC000170606126 569143908 /nfs/dbraw/zinc/14/39/08/569143908.db2.gz HHMJEINRTCKCGO-SJORKVTESA-N 1 0 426.985 3.833 50 0 IHAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)cc1 ZINC000071813640 569154520 /nfs/dbraw/zinc/15/45/20/569154520.db2.gz SGERWDRFCNOMBM-SYNNKVJXSA-N 1 0 430.618 3.725 50 0 IHAARO CCOC(=O)c1c(NC(=O)CC[NH2+][C@@H](C(N)=O)[C@H](C)CC)sc(C)c1-c1ccccc1 ZINC000089942172 569168342 /nfs/dbraw/zinc/16/83/42/569168342.db2.gz SXQNIIMZCNPLJO-JLTOFOAXSA-N 1 0 445.585 3.718 50 0 IHAARO COc1ccc(-n2nc3nc(NCC[NH+]4CCCC4)nc(-c4cccc(F)c4)c3c2N)cc1 ZINC000037359184 569176957 /nfs/dbraw/zinc/17/69/57/569176957.db2.gz OGUDJCCHXHURFQ-UHFFFAOYSA-N 1 0 447.518 3.720 50 0 IHAARO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000252512106 569188832 /nfs/dbraw/zinc/18/88/32/569188832.db2.gz MOKWBPUITPKYFX-QRQLOZEOSA-N 1 0 432.012 3.632 50 0 IHAARO C[NH+](C)C1(CNc2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)CCCCC1 ZINC000007780080 569202641 /nfs/dbraw/zinc/20/26/41/569202641.db2.gz VRLHWEYEFJNFLT-UHFFFAOYSA-N 1 0 429.634 3.689 50 0 IHAARO CC(C)CN1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)c4c[nH]c5ccccc45)CC3)C2)CC1 ZINC000581820211 569211803 /nfs/dbraw/zinc/21/18/03/569211803.db2.gz YBRXZRBZHMZGSK-OAQYLSRUSA-N 1 0 438.616 3.595 50 0 IHAARO O=C(CCC1CCCC1)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccn3)CC1)CCO2 ZINC000581820213 569211815 /nfs/dbraw/zinc/21/18/15/569211815.db2.gz YECQYOLQFQCBRM-QHCPKHFHSA-N 1 0 440.632 3.714 50 0 IHAARO CN([C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000253370180 569264144 /nfs/dbraw/zinc/26/41/44/569264144.db2.gz NISHWYGBUXMQHC-RBUKOAKNSA-N 1 0 447.567 3.663 50 0 IHAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cn(Cc2ccncc2)c(=O)c2ccccc12 ZINC000253408809 569265608 /nfs/dbraw/zinc/26/56/08/569265608.db2.gz LCOGSGLMZHHKRF-SQJMNOBHSA-N 1 0 444.579 3.781 50 0 biogenic IHAARO CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCO[C@@H](C(C)C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000253416043 569266416 /nfs/dbraw/zinc/26/64/16/569266416.db2.gz QVKFMUNVGLIGNA-GBESFXJTSA-N 1 0 426.598 3.749 50 0 IHAARO CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000002428838 569302900 /nfs/dbraw/zinc/30/29/00/569302900.db2.gz PDISTKGNIJDHEZ-JOCHJYFZSA-N 1 0 436.508 3.697 50 0 IHAARO O=C(Nc1ccc(N2CCOCC2)nc1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000078954351 569320568 /nfs/dbraw/zinc/32/05/68/569320568.db2.gz PJUREDLZFYUSKQ-UHFFFAOYSA-N 1 0 449.599 3.971 50 0 IHAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1cc2c(s1)-c1ccccc1OC2 ZINC000020355779 569361356 /nfs/dbraw/zinc/36/13/56/569361356.db2.gz FHQIACVDVLDCSX-UHFFFAOYSA-N 1 0 433.577 3.855 50 0 IHAARO Cc1ccc2c(c1)NC(=O)[C@H](CC(=O)NCCC[NH+]1CCC(Cc3ccccc3)CC1)O2 ZINC000020379810 569362533 /nfs/dbraw/zinc/36/25/33/569362533.db2.gz ZIEIKYNGHLJILB-DEOSSOPVSA-N 1 0 435.568 3.546 50 0 IHAARO COc1ccc(C[N@H+](Cc2ccc(S(=O)(=O)N(C)C)o2)C2CCCCC2)cc1OC ZINC000095389767 569363399 /nfs/dbraw/zinc/36/33/99/569363399.db2.gz ONBLJUWWNNUUPV-UHFFFAOYSA-N 1 0 436.574 3.882 50 0 IHAARO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000095408312 569364707 /nfs/dbraw/zinc/36/47/07/569364707.db2.gz HLRPZXPQAACJEJ-QGZVFWFLSA-N 1 0 430.936 3.663 50 0 IHAARO C[NH+](C)CC1CCN(c2ccc(NC(=O)CCc3cc4ccccc4[nH]c3=O)cc2)CC1 ZINC000095453449 569368251 /nfs/dbraw/zinc/36/82/51/569368251.db2.gz PVJAHWBTXNXRGN-UHFFFAOYSA-N 1 0 432.568 3.877 50 0 IHAARO Cc1ccc2c(-c3cc4c(o3)c(C)ncc4CN3CC[NH+](CCO)CC3)cc(=O)oc2c1C ZINC000095478627 569373543 /nfs/dbraw/zinc/37/35/43/569373543.db2.gz QGQAFECEQQVTNG-UHFFFAOYSA-N 1 0 447.535 3.636 50 0 IHAARO CC[NH+](CC)CCCNC(=O)c1cccc(-n2c(=O)c3ccc(Cl)cc3[nH]c2=S)c1 ZINC000020645361 569374810 /nfs/dbraw/zinc/37/48/10/569374810.db2.gz ZJFLCMSWUBXNTP-UHFFFAOYSA-N 1 0 444.988 3.790 50 0 IHAARO CC[NH+](CC)CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccc(OC)cc1OC ZINC000096024247 569380549 /nfs/dbraw/zinc/38/05/49/569380549.db2.gz PLNZZESXVHTKSI-QFIPXVFZSA-N 1 0 425.529 3.732 50 0 IHAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 ZINC000096116497 569383793 /nfs/dbraw/zinc/38/37/93/569383793.db2.gz CSAGMPTYWVZKMS-PZJWPPBQSA-N 1 0 435.524 3.662 50 0 biogenic IHAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccc2c(c1)CC(=O)N2Cc1cccc(F)c1 ZINC000096386285 569398415 /nfs/dbraw/zinc/39/84/15/569398415.db2.gz IJXDDPKATQQLPL-UHFFFAOYSA-N 1 0 443.522 3.703 50 0 IHAARO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)/C=C\c2ccc3c(c2)OCO3)CC1 ZINC000096402645 569400553 /nfs/dbraw/zinc/40/05/53/569400553.db2.gz WUXGMAPRIXVLEN-OOYWPUHTSA-N 1 0 425.504 3.587 50 0 IHAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1SCC(=O)NCc1ccco1)c1ccccc1 ZINC000002633111 569412714 /nfs/dbraw/zinc/41/27/14/569412714.db2.gz UAVFAEJWOKATFV-OAQYLSRUSA-N 1 0 437.565 3.721 50 0 IHAARO CCOC(=O)c1c(NC(=O)COC(=O)c2ccccc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000003405749 569449885 /nfs/dbraw/zinc/44/98/85/569449885.db2.gz NGBDJBYSPXJZPZ-UHFFFAOYSA-N 1 0 444.553 3.880 50 0 IHAARO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1)c1ccsc1 ZINC000031193510 569454664 /nfs/dbraw/zinc/45/46/64/569454664.db2.gz WOCSKJMWOJNWDL-QFIPXVFZSA-N 1 0 428.602 3.865 50 0 IHAARO CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1CCC[NH+](C)C ZINC000008132740 569462260 /nfs/dbraw/zinc/46/22/60/569462260.db2.gz ZCHTUOKCIUXQGL-ZWKOTPCHSA-N 1 0 430.618 3.620 50 0 IHAARO Cc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc1NS(C)(=O)=O ZINC000040108125 569488560 /nfs/dbraw/zinc/48/85/60/569488560.db2.gz NIYVWGVNEOOTIS-QGZVFWFLSA-N 1 0 429.586 3.528 50 0 IHAARO C[C@@H]1CCc2c(sc3ncnc(N4CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC4)c32)C1 ZINC000040158225 569494521 /nfs/dbraw/zinc/49/45/21/569494521.db2.gz BUYPOSUOZJJGQL-MRXNPFEDSA-N 1 0 443.661 3.737 50 0 IHAARO CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)cc1 ZINC000040160694 569495148 /nfs/dbraw/zinc/49/51/48/569495148.db2.gz GZNFRCKLBVELQI-LADGPHEKSA-N 1 0 430.564 3.526 50 0 IHAARO COc1ccc(NC(=O)[C@H]2C[C@H](CCSC)[NH2+][C@]23C(=O)Nc2c3cc(C)cc2C)cc1 ZINC000008994267 569495560 /nfs/dbraw/zinc/49/55/60/569495560.db2.gz ZYNUTHFIZQWYSX-IQOKHDRSSA-N 1 0 439.581 3.829 50 0 IHAARO NC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2)C1 ZINC000009125547 569504664 /nfs/dbraw/zinc/50/46/64/569504664.db2.gz CYEBBBMBHFTKCX-UKILVPOCSA-N 1 0 440.547 3.715 50 0 IHAARO COc1ccc([C@@H](CNC(=O)CNC(=O)c2sc3ccccc3c2Cl)[NH+](C)C)cc1 ZINC000009126045 569504818 /nfs/dbraw/zinc/50/48/18/569504818.db2.gz JQLCHURVHRLVRY-QGZVFWFLSA-N 1 0 445.972 3.712 50 0 IHAARO Cc1c(C(=O)NC2CCCC2)nnn1-c1cccc2c1CC[N@H+](Cc1cccc(F)c1)C2 ZINC000069656435 569511651 /nfs/dbraw/zinc/51/16/51/569511651.db2.gz UNMPPGUOFRRRNO-UHFFFAOYSA-N 1 0 433.531 3.946 50 0 IHAARO NC(=O)C1CC[NH+](CCOc2ccc3c(c2)occ(-c2ccc(Cl)cc2)c3=O)CC1 ZINC000009410773 569531388 /nfs/dbraw/zinc/53/13/88/569531388.db2.gz YPTFXLPTKHJVNK-UHFFFAOYSA-N 1 0 426.900 3.690 50 0 IHAARO CCc1cc(=O)oc2c(C)c(OCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc12 ZINC000009447689 569536089 /nfs/dbraw/zinc/53/60/89/569536089.db2.gz LWYUMRDAONXUAD-UHFFFAOYSA-N 1 0 434.536 3.823 50 0 IHAARO O=C(CSc1nnnn1-c1cccc(Cl)c1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000009477950 569539270 /nfs/dbraw/zinc/53/92/70/569539270.db2.gz RWDKIGZVTRKPPC-UHFFFAOYSA-N 1 0 449.024 3.713 50 0 IHAARO O=C(Cn1c(=O)oc2cc(Cl)ccc21)NCC1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000009688593 569560803 /nfs/dbraw/zinc/56/08/03/569560803.db2.gz SDUAZGGKJCADMG-UHFFFAOYSA-N 1 0 448.350 3.930 50 0 IHAARO CC[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccccc1NC(=O)C1=CSCCO1 ZINC000009739405 569565046 /nfs/dbraw/zinc/56/50/46/569565046.db2.gz BZMMYBKUIVEJHQ-LJQANCHMSA-N 1 0 439.581 3.870 50 0 IHAARO CC[NH+](CC)CCn1c2c(c(SCC(=O)Nc3ccc(C)c(Cl)c3)nc1=O)CCC2 ZINC000009745405 569565642 /nfs/dbraw/zinc/56/56/42/569565642.db2.gz LWXWPOXNRPQJHA-UHFFFAOYSA-N 1 0 449.020 3.766 50 0 IHAARO CC(C)C[NH+](CCNC(=O)c1ccc(CNS(=O)(=O)c2ccccc2)cc1)CC(C)C ZINC000009833439 569570364 /nfs/dbraw/zinc/57/03/64/569570364.db2.gz IDQJQPGUYGHKTB-UHFFFAOYSA-N 1 0 445.629 3.509 50 0 IHAARO CC(C)[C@H]([NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(F)cc1 ZINC000009836619 569570735 /nfs/dbraw/zinc/57/07/35/569570735.db2.gz XIARZUCAZPFYCP-QHCPKHFHSA-N 1 0 447.576 3.926 50 0 IHAARO COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1cccc2ccccc21)[NH+](C)C ZINC000010333778 569581024 /nfs/dbraw/zinc/58/10/24/569581024.db2.gz OMPKBZHWNKFAHG-FQEVSTJZSA-N 1 0 425.916 3.859 50 0 IHAARO COc1ccc(Br)c(C(=O)NC[C@H](c2cn(C)c3ccccc23)[NH+](C)C)c1 ZINC000077171671 569585808 /nfs/dbraw/zinc/58/58/08/569585808.db2.gz VNUCTGVAQAIDJY-HXUWFJFHSA-N 1 0 430.346 3.982 50 0 IHAARO C[NH+](C)CCCNC(=O)c1nnc(N2CCC(Cc3ccccc3)CC2)c2ccccc21 ZINC000034837726 569587635 /nfs/dbraw/zinc/58/76/35/569587635.db2.gz ABJYPCXNMFTIEJ-UHFFFAOYSA-N 1 0 431.584 3.770 50 0 IHAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(OC)c(Cl)c2)CC1 ZINC000009908001 132331593 /nfs/dbraw/zinc/33/15/93/132331593.db2.gz XTYQQSSOXJEHHD-UHFFFAOYSA-N 1 0 431.920 3.529 50 0 IHAARO O=C(c1ccc(N2CCC([NH2+]Cc3cccc(Cl)c3)CC2)cc1)N1CCC[C@H](CO)C1 ZINC000011838411 132340452 /nfs/dbraw/zinc/34/04/52/132340452.db2.gz DVKCTFGHGSYEDH-FQEVSTJZSA-N 1 0 442.003 3.943 50 0 IHAARO CC(C)[N@H+](CCCNS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)C1CCCCC1 ZINC000020582271 519643504 /nfs/dbraw/zinc/64/35/04/519643504.db2.gz TYHDXXFWRLWSGJ-UHFFFAOYSA-N 1 0 435.634 3.652 50 0 IHAARO CC(C)n1cc(C[NH+]2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)cn1 ZINC000012477736 519948910 /nfs/dbraw/zinc/94/89/10/519948910.db2.gz KABZBMFTNGUWND-UHFFFAOYSA-N 1 0 436.560 3.905 50 0 IHAARO CCOC(=O)C1C(C[N@@H+]2CC[C@H](c3ccc(C)cc3)C2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560346 520516988 /nfs/dbraw/zinc/51/69/88/520516988.db2.gz XNQZVKPPSTXPJN-XUZZJYLKSA-N 1 0 433.552 3.964 50 0 IHAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CN(Cc2ccco2)CCO3)C1 ZINC000012167938 520526314 /nfs/dbraw/zinc/52/63/14/520526314.db2.gz FENWKXCDZNOOOS-OAQYLSRUSA-N 1 0 425.573 3.755 50 0 IHAARO CC[NH+](CC)CCNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1 ZINC000015004980 520684786 /nfs/dbraw/zinc/68/47/86/520684786.db2.gz BCTXONWDSMKRSG-UHFFFAOYSA-N 1 0 444.583 3.767 50 0 IHAARO CC1CC[NH+](Cc2cccn2-c2nnc(N3CCN(Cc4ccccc4)CC3)s2)CC1 ZINC000020576288 521026373 /nfs/dbraw/zinc/02/63/73/521026373.db2.gz RQSGNJXOLJDNND-UHFFFAOYSA-N 1 0 436.629 3.883 50 0 IHAARO CCC[C@]1(C2CC[NH+](Cc3c[nH]c4ccccc34)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O ZINC000012154845 521314957 /nfs/dbraw/zinc/31/49/57/521314957.db2.gz XSWRQTSYYFUEJP-CJFMBICVSA-N 1 0 438.572 3.650 50 0 IHAARO CCOC(=O)c1nc2onc(C)c2c(NCC2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000021646316 521599874 /nfs/dbraw/zinc/59/98/74/521599874.db2.gz IMLPVWYPHFMIEF-UHFFFAOYSA-N 1 0 427.480 3.566 50 0 IHAARO CCOC(=O)c1noc2ncnc(NCC3CC[NH+](Cc4ccccc4Cl)CC3)c21 ZINC000035538564 521608451 /nfs/dbraw/zinc/60/84/51/521608451.db2.gz FYTHDVNOIPLTIK-UHFFFAOYSA-N 1 0 429.908 3.772 50 0 IHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000034928137 521638360 /nfs/dbraw/zinc/63/83/60/521638360.db2.gz DYUBNJRYOJLSNZ-NIJXNBFTSA-N 1 0 447.579 3.739 50 0 IHAARO CCCN(CCC)C(=O)c1cc(NC(=O)c2ccccc2Cl)cnc1N1CC[NH2+]CC1 ZINC000035514064 521641210 /nfs/dbraw/zinc/64/12/10/521641210.db2.gz DRFINNNOLSMEMU-UHFFFAOYSA-N 1 0 443.979 3.659 50 0 IHAARO CCC[NH+](CCC)CCCNC(=O)c1ccc(CS(=O)(=O)Cc2cccc(C)c2)o1 ZINC000020732887 521647042 /nfs/dbraw/zinc/64/70/42/521647042.db2.gz BQVIRWARYULUAL-UHFFFAOYSA-N 1 0 434.602 3.945 50 0 IHAARO C[NH+](C)CCOc1cccc(CN(Cc2ccccn2)C(=O)c2cn3ccccc3n2)c1 ZINC000012241150 521801539 /nfs/dbraw/zinc/80/15/39/521801539.db2.gz USTFUTIFZNUMHD-UHFFFAOYSA-N 1 0 429.524 3.512 50 0 IHAARO COc1cc(/C=C/C[NH+]2CCC3(C[C@H]3C(=O)N(C)Cc3cscn3)CC2)ccc1O ZINC000012192071 521940276 /nfs/dbraw/zinc/94/02/76/521940276.db2.gz FLRWCJSFOQWDJZ-RTLBZRNLSA-N 1 0 427.570 3.631 50 0 IHAARO COCCn1c(C)cc(O)c([C@H](c2ccncc2)[NH+]2CCC(Cc3ccccc3)CC2)c1=O ZINC000022697897 522064160 /nfs/dbraw/zinc/06/41/60/522064160.db2.gz GAUASNBQAGVTGD-SANMLTNESA-N 1 0 447.579 3.948 50 0 IHAARO COc1cc(CN(C)Cc2ccccn2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012317952 522356620 /nfs/dbraw/zinc/35/66/20/522356620.db2.gz NNCFWPPREZQDGV-HSZRJFAPSA-N 1 0 427.589 3.726 50 0 IHAARO Cn1c2ccc(F)cc2c(N2CCCC2=O)c1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000021529840 522765853 /nfs/dbraw/zinc/76/58/53/522765853.db2.gz IJSRVFVOWWEOSU-UHFFFAOYSA-N 1 0 436.531 3.696 50 0 IHAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)cc1F)C(c1ccccc1)=N2 ZINC000035372739 523787248 /nfs/dbraw/zinc/78/72/48/523787248.db2.gz JBTFABXMSQSNJN-UHFFFAOYSA-N 1 0 428.508 3.960 50 0 IHAARO COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CC[NH+]([C@H](C)CSC)CC3)cc1 ZINC000014752581 523945362 /nfs/dbraw/zinc/94/53/62/523945362.db2.gz LXBMMYBYDKTINB-LJQANCHMSA-N 1 0 447.645 3.744 50 0 IHAARO COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCN(C(=O)CCc4[nH]nc(C)c4C)C3)C2)c1 ZINC000012433488 524273021 /nfs/dbraw/zinc/27/30/21/524273021.db2.gz OLZWOUAGYVMYDM-DEOSSOPVSA-N 1 0 428.552 3.622 50 0 IHAARO Cc1cccc(CN2CC[NH+]([C@H]3CCC(=O)N(Cc4ccc(F)cc4F)CC3)CC2)c1 ZINC000020906780 524400180 /nfs/dbraw/zinc/40/01/80/524400180.db2.gz HMFMSDYAUAHEGQ-QHCPKHFHSA-N 1 0 427.539 3.972 50 0 IHAARO COc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3ccc(-n4cccn4)cc3)C2)CC1 ZINC000020452554 524561772 /nfs/dbraw/zinc/56/17/72/524561772.db2.gz AZKWZUHYGCCIQV-DEOSSOPVSA-N 1 0 431.584 3.668 50 0 IHAARO COc1ccc(OC)c(C[NH2+]Cc2cccn2-c2nnc(N3CCC(C)CC3)s2)c1 ZINC000020576442 524836137 /nfs/dbraw/zinc/83/61/37/524836137.db2.gz HKOTUVAMDYEXTB-UHFFFAOYSA-N 1 0 427.574 3.872 50 0 IHAARO COc1ncccc1C(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012761542 525035183 /nfs/dbraw/zinc/03/51/83/525035183.db2.gz UNNSDFCWIHNGGU-NRFANRHFSA-N 1 0 441.547 3.763 50 0 IHAARO Cc1ccc(NC(=O)[C@@H](C)N2CC[NH+](CCc3ccccc3)CC2)c(Br)c1 ZINC000022912232 525189212 /nfs/dbraw/zinc/18/92/12/525189212.db2.gz CHWOYLAOQFMDMS-GOSISDBHSA-N 1 0 430.390 3.945 50 0 IHAARO Cc1ccc(-c2noc(-c3ccccc3S(=O)(=O)NCC[NH+]3CCC(C)CC3)n2)cc1 ZINC000033307106 525871789 /nfs/dbraw/zinc/87/17/89/525871789.db2.gz STUDNONOIPNJIX-UHFFFAOYSA-N 1 0 440.569 3.722 50 0 IHAARO Cc1cnc(CNC(=O)c2ccc(OC3CC[NH+](CCc4ccccc4)CC3)cc2)cn1 ZINC000012452887 526035697 /nfs/dbraw/zinc/03/56/97/526035697.db2.gz XVIPQTHCDGJCSE-UHFFFAOYSA-N 1 0 430.552 3.801 50 0 IHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(CN2C(=O)CSc3ncccc32)cc1 ZINC000021872499 526247679 /nfs/dbraw/zinc/24/76/79/526247679.db2.gz PVMDAWPLSREZRW-SFHVURJKSA-N 1 0 438.597 3.715 50 0 IHAARO O=C(NCC[NH+]1CCCCCC1)c1cccc(NC(=O)N2CCSc3ncccc32)c1 ZINC000020565165 526310600 /nfs/dbraw/zinc/31/06/00/526310600.db2.gz LDJFDAWELGHBBT-UHFFFAOYSA-N 1 0 439.585 3.832 50 0 IHAARO c1c(-c2ccccc2)sc2ncnc(NCCC[NH+]3CCN(c4ncccn4)CC3)c12 ZINC000012813703 526396687 /nfs/dbraw/zinc/39/66/87/526396687.db2.gz IWLCWLGPUQOJGQ-UHFFFAOYSA-N 1 0 431.569 3.773 50 0 IHAARO Fc1ccccc1COc1ccc(Br)cc1C[NH2+]CCCN1CCOCC1 ZINC000022074084 526412473 /nfs/dbraw/zinc/41/24/73/526412473.db2.gz OLXHPZSZOHXSMT-UHFFFAOYSA-N 1 0 437.353 3.979 50 0 IHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000012679995 526491571 /nfs/dbraw/zinc/49/15/71/526491571.db2.gz SPRKVBCXDRMPIL-NRFANRHFSA-N 1 0 428.492 3.546 50 0 IHAARO O=C([C@H]1CC12CC[NH+](Cc1ccc3c(c1)CCO3)CC2)N1CCN(c2ccccc2)CC1 ZINC000012452700 526529664 /nfs/dbraw/zinc/52/96/64/526529664.db2.gz HWOGLSZDQKTQGK-XMMPIXPASA-N 1 0 431.580 3.572 50 0 IHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000012786464 526578867 /nfs/dbraw/zinc/57/88/67/526578867.db2.gz VWAAUBLWJBMPOR-XMMPIXPASA-N 1 0 438.531 3.953 50 0 IHAARO O=C(CCc1cccnc1)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012308106 526618050 /nfs/dbraw/zinc/61/80/50/526618050.db2.gz CCHGTDPAUBIOMX-HHHXNRCGSA-N 1 0 447.623 3.901 50 0 IHAARO O=C(NCc1cccnc1)c1ccc(N2CCC([NH2+]C3Cc4ccccc4C3)CC2)cc1 ZINC000012151856 526769215 /nfs/dbraw/zinc/76/92/15/526769215.db2.gz NEHIZILROGCNOT-UHFFFAOYSA-N 1 0 426.564 3.737 50 0 IHAARO O=C1CC[C@H]([NH+]2CCN(c3nc4ccccc4o3)CC2)CCN1Cc1ccc(F)cc1F ZINC000012154820 526994354 /nfs/dbraw/zinc/99/43/54/526994354.db2.gz LOTGPEWDQYAPQI-IBGZPJMESA-N 1 0 440.494 3.809 50 0 IHAARO O=C1C[C@@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccccc1 ZINC000022874625 527018029 /nfs/dbraw/zinc/01/80/29/527018029.db2.gz PFVVQRKIVRDCSS-XMMPIXPASA-N 1 0 425.532 3.726 50 0 IHAARO O=C(CSc1nnnn1-c1cccc(Cl)c1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000008882555 527094183 /nfs/dbraw/zinc/09/41/83/527094183.db2.gz ISJDGSNETSXZJK-UHFFFAOYSA-N 1 0 428.949 3.642 50 0 IHAARO O=C(Nc1ccc(Br)cc1F)[C@H]1C[C@H]2CCC[N@@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000020513103 527158340 /nfs/dbraw/zinc/15/83/40/527158340.db2.gz KQAIYEBLVJTBDU-MFLXSWDHSA-N 1 0 444.304 3.859 50 0 biogenic IHAARO CCCC[N@H+](C)CCCNC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000003670384 535218462 /nfs/dbraw/zinc/21/84/62/535218462.db2.gz NZDSMFKKPRVUTA-QHCPKHFHSA-N 1 0 444.963 3.775 50 0 IHAARO CC[NH+](CC)CCCN/C=C1\c2ccccc2C(=O)N(c2ccc(OC)cc2OC)C1=O ZINC000002221811 535508069 /nfs/dbraw/zinc/50/80/69/535508069.db2.gz LJELJDYGGWQQHY-HEHNFIMWSA-N 1 0 437.540 3.553 50 0 IHAARO CCC[NH+](CCC)C[C@H](O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000002205964 555757806 /nfs/dbraw/zinc/75/78/06/555757806.db2.gz RBVGIWQKWDJXNW-NRFANRHFSA-N 1 0 434.602 3.682 50 0 IHAARO O=C(NCC[NH+]1CCCC1)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)Nc2ccccc2F)C1 ZINC000034710352 555824146 /nfs/dbraw/zinc/82/41/46/555824146.db2.gz BUADIPBBDULQLQ-NHCUHLMSSA-N 1 0 438.547 3.675 50 0 IHAARO COc1cc(COC[C@@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)cc(OC)c1OC ZINC000005029114 556029342 /nfs/dbraw/zinc/02/93/42/556029342.db2.gz NANKYEPWTSKDJD-QFIPXVFZSA-N 1 0 429.557 3.545 50 0 IHAARO CCCCOCCOCC[NH+](CCOCCOCCCC)CCOCCOCCCC ZINC000005590944 556060351 /nfs/dbraw/zinc/06/03/51/556060351.db2.gz RULYNRDLKTTWGC-UHFFFAOYSA-N 1 0 449.673 3.788 50 0 IHAARO CCOc1ccc(OCC)c(S(=O)(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c1 ZINC000008955607 556236441 /nfs/dbraw/zinc/23/64/41/556236441.db2.gz IBUYXSHQGTUCBE-UHFFFAOYSA-N 1 0 448.629 3.759 50 0 IHAARO COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2cccc(Cl)c2)N(CCC[NH+](C)C)C1=O ZINC000009348658 556283963 /nfs/dbraw/zinc/28/39/63/556283963.db2.gz GEZFZWRRYYDGDJ-HXUWFJFHSA-N 1 0 426.900 3.952 50 0 IHAARO CCc1ccc([C@@H](CNC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)[NH+](C)C)cc1 ZINC000032734515 556305656 /nfs/dbraw/zinc/30/56/56/556305656.db2.gz FJWCXDLZTIXRDF-DNQXCXABSA-N 1 0 445.563 3.828 50 0 IHAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000014043247 556358124 /nfs/dbraw/zinc/35/81/24/556358124.db2.gz VGKNAKJTCNNCDS-HXUWFJFHSA-N 1 0 432.490 3.708 50 0 IHAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)c1ccc(N(C)C)cc1 ZINC000011817986 556360578 /nfs/dbraw/zinc/36/05/78/556360578.db2.gz PXGIKVXABPQFLH-UHFFFAOYSA-N 1 0 439.600 3.762 50 0 IHAARO C[C@@H](NC(=O)C1CC1)c1nnc2n1CC[N@@H+](Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000011881588 556373171 /nfs/dbraw/zinc/37/31/71/556373171.db2.gz QHFDSGIEBYSPAJ-GOSISDBHSA-N 1 0 431.540 3.716 50 0 IHAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3cccc4nonc43)C2)c(OC)c1 ZINC000011946861 556380267 /nfs/dbraw/zinc/38/02/67/556380267.db2.gz NYXZAQJNSVEDAW-QGZVFWFLSA-N 1 0 438.528 3.549 50 0 IHAARO COc1ccc(F)c(C[N@@H+]2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)c1 ZINC000011998458 556384923 /nfs/dbraw/zinc/38/49/23/556384923.db2.gz AASLYRJOZJNEEV-HXUWFJFHSA-N 1 0 440.563 3.570 50 0 IHAARO CCCn1ncc(C[N@@H+]2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)c1C ZINC000012024643 556387494 /nfs/dbraw/zinc/38/74/94/556387494.db2.gz NNRLVMIAMBUBEK-FQEVSTJZSA-N 1 0 442.604 3.927 50 0 IHAARO COc1ccc(CNC(=O)c2sc3ncnc(NCC[NH+]4CCCCC4)c3c2C)cc1 ZINC000012034402 556389151 /nfs/dbraw/zinc/38/91/51/556389151.db2.gz XLFCANDQNDVASN-UHFFFAOYSA-N 1 0 439.585 3.836 50 0 IHAARO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3cc(F)ccc3OC)C2)cc1Cn1cncn1 ZINC000012054498 556393558 /nfs/dbraw/zinc/39/35/58/556393558.db2.gz LQPFJORTLUIOAK-GOSISDBHSA-N 1 0 438.503 3.578 50 0 IHAARO CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)c1 ZINC000014227146 556395060 /nfs/dbraw/zinc/39/50/60/556395060.db2.gz LHAHEHOXIFBHAO-OAQYLSRUSA-N 1 0 442.585 3.868 50 0 IHAARO CCCCC[N@H+](CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1)C(C)C ZINC000032810006 556395183 /nfs/dbraw/zinc/39/51/83/556395183.db2.gz RHBCRBMEWVZIAT-UHFFFAOYSA-N 1 0 439.622 3.709 50 0 IHAARO COc1ccc(-n2cc(C[N@H+](C)CCCN3CCOCC3)c(-c3cccc(F)c3)n2)cc1 ZINC000012429448 556404412 /nfs/dbraw/zinc/40/44/12/556404412.db2.gz DFHNHVZAFUUKAA-UHFFFAOYSA-N 1 0 438.547 3.841 50 0 IHAARO CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+]([C@@H]1CCc3ccccc3C1)CC2 ZINC000014532993 556421637 /nfs/dbraw/zinc/42/16/37/556421637.db2.gz QAVRSDKFGGLHOR-XMMPIXPASA-N 1 0 446.595 3.894 50 0 IHAARO CN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1ccccc1C(F)(F)F)CC2 ZINC000014539977 556425295 /nfs/dbraw/zinc/42/52/95/556425295.db2.gz VMJMXRGKNQRGLW-UHFFFAOYSA-N 1 0 432.446 3.529 50 0 IHAARO COc1ccccc1[C@@H](CNC(=O)CCc1nc(-c2ccsc2)no1)[NH+]1CCCC1 ZINC000032841472 556427177 /nfs/dbraw/zinc/42/71/77/556427177.db2.gz KGQJUYYAUKXUKL-GOSISDBHSA-N 1 0 426.542 3.693 50 0 IHAARO COc1ccc(CCC2CC[NH+](CC(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)cc1 ZINC000032858130 556434571 /nfs/dbraw/zinc/43/45/71/556434571.db2.gz JUCYQDXHTMUBJU-UHFFFAOYSA-N 1 0 439.575 3.828 50 0 IHAARO COc1ccc(CN2C(=O)N(C)C3(CC[NH+](Cc4c[nH]c5ccccc45)CC3)C2=O)cc1 ZINC000014740617 556438513 /nfs/dbraw/zinc/43/85/13/556438513.db2.gz FRCWAARLKYTMAL-UHFFFAOYSA-N 1 0 432.524 3.605 50 0 IHAARO Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]CCc1nc(-c3ccccc3)cs1)C2 ZINC000014745961 556441126 /nfs/dbraw/zinc/44/11/26/556441126.db2.gz IKQLHGBTJXHTBH-IBGZPJMESA-N 1 0 449.624 3.859 50 0 IHAARO COc1cc(OC)c(C2=CC[N@H+](C[C@H](O)COc3ccc(C)cc3C)CC2)c(OC)c1 ZINC000032860411 556447486 /nfs/dbraw/zinc/44/74/86/556447486.db2.gz CEAFUTWUMAMDHE-FQEVSTJZSA-N 1 0 427.541 3.858 50 0 IHAARO COc1cc(OC)c(C2=CC[N@H+](C[C@@H](O)COc3ccc(C)cc3C)CC2)c(OC)c1 ZINC000032860410 556447596 /nfs/dbraw/zinc/44/75/96/556447596.db2.gz CEAFUTWUMAMDHE-HXUWFJFHSA-N 1 0 427.541 3.858 50 0 IHAARO Cc1ccc(OCc2cc(C(=O)N3CCC([N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)no2)cc1C ZINC000014885355 556455177 /nfs/dbraw/zinc/45/51/77/556455177.db2.gz VLACFBTWAFBDIK-KDURUIRLSA-N 1 0 427.545 3.584 50 0 IHAARO CCOC(=O)N1CCC(NC(=O)[C@H]2CC23CC[NH+](CC[C@@H](C)c2ccc(C)o2)CC3)CC1 ZINC000014888962 556456155 /nfs/dbraw/zinc/45/61/55/556456155.db2.gz KMAWVUVNRLVUOA-WIYYLYMNSA-N 1 0 445.604 3.921 50 0 IHAARO O=C(NCCC[N@H+]1CCC[C@H](O)C1)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 ZINC000014953792 556461603 /nfs/dbraw/zinc/46/16/03/556461603.db2.gz PZMPSQOCTWQBSX-IBGZPJMESA-N 1 0 427.932 3.649 50 0 IHAARO COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000028877352 556462804 /nfs/dbraw/zinc/46/28/04/556462804.db2.gz HCYRDZYVMRVOAC-UHFFFAOYSA-N 1 0 442.869 3.913 50 0 IHAARO O=c1c2c(ncn1Cc1ccccc1F)sc1c2CC[C@@H]([NH2+]CCc2cccnc2)C1 ZINC000014981238 556470935 /nfs/dbraw/zinc/47/09/35/556470935.db2.gz OWKKHXTXBPIQQG-GOSISDBHSA-N 1 0 434.540 3.730 50 0 IHAARO CC(C)C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1cccc(F)c1)CC2 ZINC000014987275 556473349 /nfs/dbraw/zinc/47/33/49/556473349.db2.gz OBZMPLULMLOMHK-LJQANCHMSA-N 1 0 425.508 3.586 50 0 IHAARO Cc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1C ZINC000014989858 556474284 /nfs/dbraw/zinc/47/42/84/556474284.db2.gz OJWQSCSMBLIHOW-OAQYLSRUSA-N 1 0 431.584 3.763 50 0 IHAARO C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](Cc3ccccc3)c3ccccc3)cn2)CC1 ZINC000029733091 556480880 /nfs/dbraw/zinc/48/08/80/556480880.db2.gz FJLRUUQIBLNWRG-DEOSSOPVSA-N 1 0 429.568 3.617 50 0 IHAARO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2ccc(C)cc2Br)CC1 ZINC000029966121 556487670 /nfs/dbraw/zinc/48/76/70/556487670.db2.gz YXDOEVJCELNDEO-UHFFFAOYSA-N 1 0 438.391 3.700 50 0 IHAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)CCN2CCCO2)CC1 ZINC000015068295 556494192 /nfs/dbraw/zinc/49/41/92/556494192.db2.gz DXLGQZRAZYVYEO-UHFFFAOYSA-N 1 0 436.600 3.658 50 0 IHAARO CO[C@@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2cccc3nonc32)CC1)c1ccccc1 ZINC000015073463 556497729 /nfs/dbraw/zinc/49/77/29/556497729.db2.gz UZAWSSGBJXUBMP-HSZRJFAPSA-N 1 0 446.511 3.583 50 0 IHAARO CSc1cccc(C[NH2+]Cc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3sccn23)c1 ZINC000015079262 556500216 /nfs/dbraw/zinc/50/02/16/556500216.db2.gz QAKLZUOBSAEWTF-GASCZTMLSA-N 1 0 430.599 3.657 50 0 IHAARO COc1cc(C[C@H]2CC(C[NH2+]CCc3ccc(Cl)cc3)=NO2)c(OC)c2c1OCO2 ZINC000015081394 556501116 /nfs/dbraw/zinc/50/11/16/556501116.db2.gz UNBXFNZBWGRPDV-SFHVURJKSA-N 1 0 432.904 3.606 50 0 IHAARO COc1ccc(NC(=O)NCCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000032885623 556510082 /nfs/dbraw/zinc/51/00/82/556510082.db2.gz JQQIMWYAUSUJHI-NRFANRHFSA-N 1 0 444.963 3.814 50 0 IHAARO CC1(C)CC(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CC(C)(C)[NH2+]1 ZINC000030898121 556514914 /nfs/dbraw/zinc/51/49/14/556514914.db2.gz ICBKQYWGKWDLCJ-JOCHJYFZSA-N 1 0 437.584 3.950 50 0 IHAARO COc1ccc(NC(=O)[C@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)c2ccccc2)cc1 ZINC000032899565 556530978 /nfs/dbraw/zinc/53/09/78/556530978.db2.gz RKMHQEGGEDDRMP-HSZRJFAPSA-N 1 0 433.508 3.862 50 0 IHAARO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000072304591 556548863 /nfs/dbraw/zinc/54/88/63/556548863.db2.gz MNEIJRYXAWZPLP-UHFFFAOYSA-N 1 0 438.572 3.618 50 0 IHAARO Cc1cccc(NC(=O)CSCC(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)c1 ZINC000015940832 556566327 /nfs/dbraw/zinc/56/63/27/556566327.db2.gz ZWFDFVHCQGZZQC-UHFFFAOYSA-N 1 0 447.004 3.711 50 0 IHAARO O[C@H](COCc1ccccc1Cl)C[N@H+](CCCN1CCOCC1)Cc1cccs1 ZINC000016043577 556578442 /nfs/dbraw/zinc/57/84/42/556578442.db2.gz WFSYPFPGNPDUTF-FQEVSTJZSA-N 1 0 439.021 3.504 50 0 IHAARO CCc1nnc2c(NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)nc3ccccc3n12 ZINC000016162636 556586732 /nfs/dbraw/zinc/58/67/32/556586732.db2.gz OHQMXJQXBRHZCK-UHFFFAOYSA-N 1 0 435.963 3.727 50 0 IHAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)CSc2ccc(Cl)cc2)c1 ZINC000016189150 556588508 /nfs/dbraw/zinc/58/85/08/556588508.db2.gz LNFFBYRRYDNVCZ-UHFFFAOYSA-N 1 0 433.961 3.609 50 0 IHAARO COc1ccc(NC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000036311497 556596535 /nfs/dbraw/zinc/59/65/35/556596535.db2.gz ZTJGKZCJCZVCHK-HSZRJFAPSA-N 1 0 439.531 3.790 50 0 IHAARO O=C(NCC[NH+]1CCCCC1)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)O2 ZINC000032983857 556602601 /nfs/dbraw/zinc/60/26/01/556602601.db2.gz FKUWVPDPCPAWAG-RCCKNPSSSA-N 1 0 425.916 3.928 50 0 IHAARO CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000032915600 556612718 /nfs/dbraw/zinc/61/27/18/556612718.db2.gz YXGGNSNXZMSBFS-UHFFFAOYSA-N 1 0 432.572 3.889 50 0 IHAARO COc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000016752085 556637874 /nfs/dbraw/zinc/63/78/74/556637874.db2.gz IGDIHKIWMGUBBK-JOCHJYFZSA-N 1 0 436.508 3.616 50 0 IHAARO COc1cc(CN(C)Cc2c(C)n[nH]c2C)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000011954427 556676731 /nfs/dbraw/zinc/67/67/31/556676731.db2.gz FNYMTRXHHPYWJD-JOCHJYFZSA-N 1 0 444.620 3.673 50 0 IHAARO COC(=O)c1csc(N2[NH2+]C3=C(C[C@@H](c4ccccc4)CC3)[C@]2(O)C(F)(F)F)n1 ZINC000247811284 556686425 /nfs/dbraw/zinc/68/64/25/556686425.db2.gz CRGDPZWFEPSJKV-LXIYXOSZSA-N 1 0 425.432 3.941 50 0 IHAARO CC[N@H+](CCCNC(=O)CCCOc1cc(=O)n(C)c2ccccc12)Cc1ccccc1 ZINC000013574626 556698298 /nfs/dbraw/zinc/69/82/98/556698298.db2.gz MIMIVHANQJCKTI-UHFFFAOYSA-N 1 0 435.568 3.726 50 0 IHAARO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2NC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000058158812 556763476 /nfs/dbraw/zinc/76/34/76/556763476.db2.gz NAGQDLNGZSWQAK-RTBURBONSA-N 1 0 426.483 3.633 50 0 IHAARO O=C(Cc1nnc(-c2cccc(Br)c2)o1)N1CC[NH+](C2CCCCC2)CC1 ZINC000062007239 556765643 /nfs/dbraw/zinc/76/56/43/556765643.db2.gz VCPYESCSZZKKMZ-UHFFFAOYSA-N 1 0 433.350 3.519 50 0 IHAARO CSc1nc2ccc(NC(=O)NCc3ccc(N4CCC[N@H+](C)CC4)nc3)cc2s1 ZINC000058168189 556767286 /nfs/dbraw/zinc/76/72/86/556767286.db2.gz DYYFXAVOZRRPQB-UHFFFAOYSA-N 1 0 442.614 3.877 50 0 IHAARO CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN1CC[N@@H+]3CCC[C@@H]3C1)c1ccccc1CC2 ZINC000019593646 556829810 /nfs/dbraw/zinc/82/98/10/556829810.db2.gz SILYLOYXGKGXTR-JOCHJYFZSA-N 1 0 448.567 3.798 50 0 IHAARO Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]CCCn2ccnc2)C4)cc1 ZINC000067850281 556847358 /nfs/dbraw/zinc/84/73/58/556847358.db2.gz SBRKZXXZWDHGFT-IBGZPJMESA-N 1 0 433.581 3.548 50 0 IHAARO COc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)c(F)c1 ZINC000019774166 556913492 /nfs/dbraw/zinc/91/34/92/556913492.db2.gz XCFSNCDXNRXXEA-FQEVSTJZSA-N 1 0 440.563 3.570 50 0 IHAARO CN(C)CC[NH2+]C[C@H](O)CN1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@@H]1CCC3 ZINC000019804912 556918062 /nfs/dbraw/zinc/91/80/62/556918062.db2.gz HJMXAOVPXYXKMS-NVQXNPDNSA-N 1 0 438.660 3.894 50 0 IHAARO COc1ccc(C[N@@H+]2CCN(Cc3cccn3-c3ccccn3)C[C@@H]2CCO)c(C)c1C ZINC000020207837 556998334 /nfs/dbraw/zinc/99/83/34/556998334.db2.gz CYTCEHJHAJONCB-QHCPKHFHSA-N 1 0 434.584 3.567 50 0 IHAARO O=C(CCC(=O)N1CC[NH+](C2CCCCC2)CC1)Nc1nnc(C2CCCCC2)s1 ZINC000020390980 557012819 /nfs/dbraw/zinc/01/28/19/557012819.db2.gz VLKLPXZUUGXXOK-UHFFFAOYSA-N 1 0 433.622 3.781 50 0 IHAARO O=C(C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1)N1CCOCC1 ZINC000046055926 557027770 /nfs/dbraw/zinc/02/77/70/557027770.db2.gz ICZQFHHKYKUKFT-UHFFFAOYSA-N 1 0 435.543 3.900 50 0 IHAARO CCC[N@@H+]1CCc2nc(-c3ccccc3)n(CC(=O)Nc3cc(C)ccc3OC)c(=O)c2C1 ZINC000049400694 557096314 /nfs/dbraw/zinc/09/63/14/557096314.db2.gz ISTSUOUQDXEVTN-UHFFFAOYSA-N 1 0 446.551 3.634 50 0 IHAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 ZINC000005247152 557107340 /nfs/dbraw/zinc/10/73/40/557107340.db2.gz UMPMSVABOOUQEK-RIYZIHGNSA-N 1 0 426.513 3.854 50 0 IHAARO O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023736089 557112017 /nfs/dbraw/zinc/11/20/17/557112017.db2.gz ZZYQLANOQAYZLR-DEOSSOPVSA-N 1 0 449.595 3.699 50 0 IHAARO CCN1CCN(C(=O)[C@@H](C)[NH2+]C[C@@H](c2c[nH]c3ccccc32)c2ccc(N(C)C)cc2)CC1 ZINC000023907581 557124436 /nfs/dbraw/zinc/12/44/36/557124436.db2.gz NGEZKGNFMZHMJM-HYBUGGRVSA-N 1 0 447.627 3.508 50 0 IHAARO CCN1CCN(C(=O)[C@H](C)[NH2+]C[C@@H](c2c[nH]c3ccccc32)c2ccc(N(C)C)cc2)CC1 ZINC000023907584 557124541 /nfs/dbraw/zinc/12/45/41/557124541.db2.gz NGEZKGNFMZHMJM-GBXCKJPGSA-N 1 0 447.627 3.508 50 0 IHAARO C[C@@H](NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000024572638 557151568 /nfs/dbraw/zinc/15/15/68/557151568.db2.gz QWEPIRRBZOQCGP-AJTFRIOCSA-N 1 0 435.612 3.519 50 0 IHAARO Cc1ccc(NC(=O)[C@H]([NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)c2ccccc2)cc1 ZINC000025672252 557221174 /nfs/dbraw/zinc/22/11/74/557221174.db2.gz RBYMEWREEWPKJW-OAQYLSRUSA-N 1 0 434.540 3.519 50 0 IHAARO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000100156152 557244446 /nfs/dbraw/zinc/24/44/46/557244446.db2.gz QOIYETZYJBJHNJ-GOSISDBHSA-N 1 0 435.307 3.634 50 0 IHAARO CSCC[C@@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)[C@@]2([NH2+]1)C(=O)Nc1ccc(Cl)cc12 ZINC000106807734 557532665 /nfs/dbraw/zinc/53/26/65/557532665.db2.gz JOHRRPUZINTVMC-LDBYXDLTSA-N 1 0 433.936 3.996 50 0 IHAARO COc1cccc(-c2nnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2Cc2ccccc2)c1OC ZINC000239366928 557844258 /nfs/dbraw/zinc/84/42/58/557844258.db2.gz AGUDQAWLMIOHIC-FQEVSTJZSA-N 1 0 433.556 3.685 50 0 IHAARO Cc1ccc(CS(=O)(=O)Cc2ccc(C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)o2)cc1 ZINC000002966680 562931310 /nfs/dbraw/zinc/93/13/10/562931310.db2.gz XDHRPRFPIIXOAF-WOJBJXKFSA-N 1 0 446.613 3.801 50 0 IHAARO Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)o1 ZINC000003006098 562931492 /nfs/dbraw/zinc/93/14/92/562931492.db2.gz RDILKWROSMTLEO-OALUTQOASA-N 1 0 446.613 3.801 50 0 IHAARO CC[NH+](CC)CCCNC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1c1ccccc1n2C ZINC000008595776 562953653 /nfs/dbraw/zinc/95/36/53/562953653.db2.gz MHJFEBSHNMNCBD-UHFFFAOYSA-N 1 0 445.567 3.648 50 0 IHAARO O=C(NCc1cccnc1)[C@H]1CCC[N@H+](Cc2cnn(-c3ccccc3)c2-n2cccc2)C1 ZINC000008670658 562960709 /nfs/dbraw/zinc/96/07/09/562960709.db2.gz HHGRKBSBKSWTSK-QFIPXVFZSA-N 1 0 440.551 3.586 50 0 IHAARO CCc1cc(=O)oc2cc(C)cc(OCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c12 ZINC000009058689 562966761 /nfs/dbraw/zinc/96/67/61/562966761.db2.gz POFTVZXAWLFISM-UHFFFAOYSA-N 1 0 434.536 3.823 50 0 IHAARO CC[NH+](CC)CCCn1c2c(c(SCC(=O)Nc3cccc(C)c3C)nc1=O)CCC2 ZINC000009746348 562976492 /nfs/dbraw/zinc/97/64/92/562976492.db2.gz ONXJIYCOXDMYQQ-UHFFFAOYSA-N 1 0 442.629 3.812 50 0 IHAARO Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c2)cc1 ZINC000009816364 562977275 /nfs/dbraw/zinc/97/72/75/562977275.db2.gz IETNCYZQDAAJLS-UHFFFAOYSA-N 1 0 443.613 3.859 50 0 IHAARO C[NH+](C)CCCN(C(=O)CCOc1ccccc1)c1nc2cc3c(cc2s1)OCO3 ZINC000010068116 562978406 /nfs/dbraw/zinc/97/84/06/562978406.db2.gz KFQVOVJBOPYFFJ-UHFFFAOYSA-N 1 0 427.526 3.779 50 0 IHAARO COc1cccc(CN2CC[N@@H+](C3CCN(c4cccc(C)c4C)CC3)C[C@H]2CCO)c1 ZINC000038149268 563096531 /nfs/dbraw/zinc/09/65/31/563096531.db2.gz YAEUAZNKYXGVKH-RUZDIDTESA-N 1 0 437.628 3.850 50 0 IHAARO COc1cccc(C[N@H+](C[C@H](O)COCC(C)C)C[C@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000104984784 568623389 /nfs/dbraw/zinc/62/33/89/568623389.db2.gz GQIYZWJBAHIZBS-LADGPHEKSA-N 1 0 444.547 3.863 50 0 IHAARO C[NH+]1CCC2(CC1)C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)c1ccccc1O2 ZINC000031583802 568740700 /nfs/dbraw/zinc/74/07/00/568740700.db2.gz AWXQVUPFELIPBB-QGZVFWFLSA-N 1 0 440.487 3.972 50 0 IHAARO COc1ccc(NC(=O)C(=O)NCC2CC[NH+](Cc3cc(C)oc3C)CC2)cc1Cl ZINC000043941138 568743749 /nfs/dbraw/zinc/74/37/49/568743749.db2.gz LIXUHKRTBPYXHK-UHFFFAOYSA-N 1 0 433.936 3.525 50 0 IHAARO C[NH+](C)CCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015672894 568803264 /nfs/dbraw/zinc/80/32/64/568803264.db2.gz QTUQQAUWFYRRSI-QHCPKHFHSA-N 1 0 430.618 3.708 50 0 IHAARO CC[NH+](CC)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1cccc(OC)c1OC ZINC000004292053 568808179 /nfs/dbraw/zinc/80/81/79/568808179.db2.gz XOEDFNHWLWTHFV-NRFANRHFSA-N 1 0 425.529 3.732 50 0 IHAARO COc1ccc(C[N@@H+]2CCN(Cc3c[nH]nc3-c3ccccc3)C[C@H]2CCO)c(C)c1C ZINC000104488672 568837349 /nfs/dbraw/zinc/83/73/49/568837349.db2.gz MBBYZTWOBHBYSX-XMMPIXPASA-N 1 0 434.584 3.771 50 0 IHAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000085876631 568838258 /nfs/dbraw/zinc/83/82/58/568838258.db2.gz BHWZQWQSFXDICP-PZJWPPBQSA-N 1 0 435.524 3.662 50 0 biogenic IHAARO COc1ccc(OC)c([C@@H]2CCCN2[C@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 ZINC000102433125 568884784 /nfs/dbraw/zinc/88/47/84/568884784.db2.gz CKFNCTQNTBZRJH-DYVFJYSZSA-N 1 0 443.569 3.517 50 0 IHAARO CC(C)[N@H+](CCCNC(=O)CN1c2ccccc2SCCC1=O)Cc1ccccc1 ZINC000006805657 568892809 /nfs/dbraw/zinc/89/28/09/568892809.db2.gz ITTPYJYOXQBNNW-UHFFFAOYSA-N 1 0 425.598 3.932 50 0 IHAARO CCn1c(SCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nnc1-c1cccs1 ZINC000013010138 568899748 /nfs/dbraw/zinc/89/97/48/568899748.db2.gz VDATXUAKAJHTPL-QGZVFWFLSA-N 1 0 427.599 3.509 50 0 IHAARO C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000241160512 568912077 /nfs/dbraw/zinc/91/20/77/568912077.db2.gz JXXCWRCDPROSNO-URXFXBBRSA-N 1 0 449.595 3.718 50 0 IHAARO COc1ccc2[nH]cc(CC[NH2+]C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@@H](O)[C@H]34)c2c1 ZINC000001820056 568915633 /nfs/dbraw/zinc/91/56/33/568915633.db2.gz BJRTZLZJYHGJHK-HVZAGSAUSA-N 1 0 438.568 3.594 50 0 biogenic IHAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)CSc1ncc(-c2ccccc2)nn1 ZINC000248086900 568918881 /nfs/dbraw/zinc/91/88/81/568918881.db2.gz SVHHEBYMWQCPJF-DENIHFKCSA-N 1 0 431.565 3.774 50 0 IHAARO CC1CCN(c2ccc(-c3noc(C(=O)NCCC[NH+]4CCCCCC4)n3)cc2)CC1 ZINC000064746426 568949537 /nfs/dbraw/zinc/94/95/37/568949537.db2.gz BYDSJVKVOFISGF-UHFFFAOYSA-N 1 0 425.577 3.969 50 0 IHAARO Cc1ccccc1Cc1c(C)nc(C)nc1N1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000036340116 569078794 /nfs/dbraw/zinc/07/87/94/569078794.db2.gz YJUDIAKMCXPJJE-RUZDIDTESA-N 1 0 430.596 3.718 50 0 IHAARO Cc1ccc(-n2cc3c(c(C(=O)NCC[N@H+]4CCCC[C@@H]4C)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000480 569086045 /nfs/dbraw/zinc/08/60/45/569086045.db2.gz CCKJHTMXRTTZQW-IBGZPJMESA-N 1 0 449.595 3.905 50 0 IHAARO O=C(NCC[NH+]1CCCCC1)c1cc2c(s1)CCN(C(=O)c1ccc(Cl)cc1)C2 ZINC000065201501 569116222 /nfs/dbraw/zinc/11/62/22/569116222.db2.gz STGDRNKSHVJPIB-UHFFFAOYSA-N 1 0 431.989 3.816 50 0 IHAARO Cc1ccc(C(=O)N2CCC[C@]3(C2)Nc2cccnc2[NH+]=C3NCc2ccccc2)cn1 ZINC000065265683 569127143 /nfs/dbraw/zinc/12/71/43/569127143.db2.gz JDTQADFPPWWRMN-RUZDIDTESA-N 1 0 426.524 3.705 50 0 biogenic IHAARO O=C(CCC1CCN(c2cc(NC3CC3)ncn2)CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000065274148 569128441 /nfs/dbraw/zinc/12/84/41/569128441.db2.gz LHJJIHWFIXJTPV-UHFFFAOYSA-N 1 0 440.636 3.524 50 0 IHAARO CC1CCN(C(=O)c2cc3c(s2)CC[C@@H](C(=O)N2CC[NH+](C4CCCC4)CC2)C3)CC1 ZINC000065272649 569129129 /nfs/dbraw/zinc/12/91/29/569129129.db2.gz YOKLUUMLGAOWQK-LJQANCHMSA-N 1 0 443.657 3.812 50 0 IHAARO Cc1nc(-c2ccc(S(=O)(=O)NCC3CCN(c4cc[nH+]c(C)c4)CC3)cc2)co1 ZINC000240122662 569140626 /nfs/dbraw/zinc/14/06/26/569140626.db2.gz WFTGAJVCNJYSDP-UHFFFAOYSA-N 1 0 426.542 3.548 50 0 IHAARO Cc1cc(Cl)cc(NC(=O)CSC2=N[C@@H](c3c[nH]c4ccccc43)NC(=[NH2+])N2)c1 ZINC000013579215 569156140 /nfs/dbraw/zinc/15/61/40/569156140.db2.gz TVBRBBHLACZBOG-SFHVURJKSA-N 1 0 426.933 3.774 50 0 IHAARO Cc1c(Cl)cccc1NC(=O)CSC1=N[C@@H](c2c[nH]c3ccccc32)NC(=[NH2+])N1 ZINC000013579106 569156144 /nfs/dbraw/zinc/15/61/44/569156144.db2.gz WNGUNUSJLRSIEZ-SFHVURJKSA-N 1 0 426.933 3.774 50 0 IHAARO Cc1c(Cl)cccc1NC(=O)CSC1=N[C@H](c2c[nH]c3ccccc32)NC(=[NH2+])N1 ZINC000013579107 569156146 /nfs/dbraw/zinc/15/61/46/569156146.db2.gz WNGUNUSJLRSIEZ-GOSISDBHSA-N 1 0 426.933 3.774 50 0 IHAARO COc1ccc(Cl)cc1NC(=O)Cn1cc(OC)c(=O)cc1C[NH+]1CCCCCC1 ZINC000016959591 569167865 /nfs/dbraw/zinc/16/78/65/569167865.db2.gz OJAHTXRJYZPEJQ-UHFFFAOYSA-N 1 0 433.936 3.534 50 0 IHAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3cccc(Br)c3)CC2)[nH+]1 ZINC000017012431 569170646 /nfs/dbraw/zinc/17/06/46/569170646.db2.gz BSARVYXEXHGDNJ-UHFFFAOYSA-N 1 0 444.377 3.500 50 0 IHAARO C[NH+]1CCN(c2nc3nn(-c4cccc(F)c4)c(N)c3c(-c3cccc(Cl)c3)n2)CC1 ZINC000037358970 569176843 /nfs/dbraw/zinc/17/68/43/569176843.db2.gz SAUDNDQLMXJQIO-UHFFFAOYSA-N 1 0 437.910 3.609 50 0 IHAARO Cc1ncnc(C)c1C(=O)N1CCC([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000252489778 569186810 /nfs/dbraw/zinc/18/68/10/569186810.db2.gz KAECCNQSXBVGEJ-UHFFFAOYSA-N 1 0 447.505 3.539 50 0 IHAARO CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)cc1 ZINC000065782852 569189703 /nfs/dbraw/zinc/18/97/03/569189703.db2.gz BEKJBJSRSMKBFB-QHCPKHFHSA-N 1 0 429.992 3.985 50 0 IHAARO COc1ccc(-n2nc(C)c(CCC(=O)NCC[NH+](C)C)c2Oc2ccc(C)cc2)cc1 ZINC000037546857 569200247 /nfs/dbraw/zinc/20/02/47/569200247.db2.gz KZPWFIZPZJCYRK-UHFFFAOYSA-N 1 0 436.556 3.900 50 0 IHAARO Cc1cccc(N2CC[N@@H+](C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@H](O)[C@H]34)C[C@H]2C)c1 ZINC000252695300 569211115 /nfs/dbraw/zinc/21/11/15/569211115.db2.gz XZCQJZYHYNIVDU-VHHNWKQMSA-N 1 0 438.612 3.791 50 0 biogenic IHAARO CC(C)CN1CC[NH+]([C@H]2CCOC3(CCN(C(=O)Nc4ccccc4F)CC3)C2)CC1 ZINC000581819752 569211622 /nfs/dbraw/zinc/21/16/22/569211622.db2.gz IGAOWZFHPYCIIC-FQEVSTJZSA-N 1 0 432.584 3.645 50 0 IHAARO O=C(CCC1CCCC1)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccn3)CC1)CCO2 ZINC000581820212 569211695 /nfs/dbraw/zinc/21/16/95/569211695.db2.gz YECQYOLQFQCBRM-HSZRJFAPSA-N 1 0 440.632 3.714 50 0 IHAARO CC[NH+](CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OC)c(OC)c1 ZINC000002405616 569300091 /nfs/dbraw/zinc/30/00/91/569300091.db2.gz LZDCYYMRLODENZ-JOCHJYFZSA-N 1 0 436.508 3.697 50 0 IHAARO CC[NH+](CC)CCNC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)Oc2ccccc21 ZINC000020180655 569355126 /nfs/dbraw/zinc/35/51/26/569355126.db2.gz VMLMOGUFZWBEEV-RCCKNPSSSA-N 1 0 427.932 3.565 50 0 IHAARO C[NH+]1CCN(CCCNC(=O)CSc2c3cc(Cl)ccc3nc3c2CCCC3)CC1 ZINC000020239248 569357619 /nfs/dbraw/zinc/35/76/19/569357619.db2.gz IAWFDIFXUPRDNU-UHFFFAOYSA-N 1 0 447.048 3.613 50 0 IHAARO COc1ccccc1-c1nn(CCC(=O)NCCC[NH+]2CCCC2)c2nc(C)cc(C)c12 ZINC000020437716 569365594 /nfs/dbraw/zinc/36/55/94/569365594.db2.gz UDNGKQFKJWJAGE-UHFFFAOYSA-N 1 0 435.572 3.716 50 0 IHAARO CC[C@@H](O)C[NH+]1CCC(Nc2nc(-c3cnccn3)nc3sc4c(c32)CCCC4)CC1 ZINC000095443241 569366827 /nfs/dbraw/zinc/36/68/27/569366827.db2.gz DQZBWCFCACRVBP-MRXNPFEDSA-N 1 0 438.601 3.674 50 0 IHAARO CC[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)c1ccccc1)c1cccc(S(N)(=O)=O)c1 ZINC000095462598 569370191 /nfs/dbraw/zinc/37/01/91/569370191.db2.gz RIOCCWZQNOPFOE-HSZRJFAPSA-N 1 0 437.565 3.608 50 0 IHAARO O=C(c1cccc(I)c1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000028037938 569398153 /nfs/dbraw/zinc/39/81/53/569398153.db2.gz QRHPHVNEMWTJKJ-UHFFFAOYSA-N 1 0 426.323 3.701 50 0 IHAARO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CN(CCO)C1CC[NH+](C)CC1 ZINC000097020242 569402758 /nfs/dbraw/zinc/40/27/58/569402758.db2.gz FTRJPGAYMJYYDM-UHFFFAOYSA-N 1 0 430.902 3.741 50 0 IHAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1ccccc1-n1cnc2ccccc2c1=O ZINC000299754353 569408991 /nfs/dbraw/zinc/40/89/91/569408991.db2.gz CITZPTFMUNOEFX-CVDCTZTESA-N 1 0 430.552 3.722 50 0 biogenic IHAARO C[NH+](C)[C@H](CNC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 ZINC000002655963 569415338 /nfs/dbraw/zinc/41/53/38/569415338.db2.gz BESIFJHYILWMDG-HXUWFJFHSA-N 1 0 439.560 3.930 50 0 IHAARO C[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)C1 ZINC000230075873 569433379 /nfs/dbraw/zinc/43/33/79/569433379.db2.gz ARPVPDNHDJLZID-WTNAPCKOSA-N 1 0 425.598 3.897 50 0 IHAARO COc1ccc(CC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c(OC)c1OC ZINC000031201634 569454818 /nfs/dbraw/zinc/45/48/18/569454818.db2.gz SVUADDHPFDLHJQ-UHFFFAOYSA-N 1 0 426.557 3.803 50 0 IHAARO CC[NH+](CC)[C@H](CNC(=O)CN1C(=O)CSc2ccccc21)c1ccccc1Cl ZINC000032316753 569461161 /nfs/dbraw/zinc/46/11/61/569461161.db2.gz WPSSOSDNVKTMOL-LJQANCHMSA-N 1 0 431.989 3.978 50 0 IHAARO O=C(c1cnc2ccc(Cl)cc2c1N1CC[NH+](C2CCCCC2)CC1)N1CCOCC1 ZINC000067288046 569467376 /nfs/dbraw/zinc/46/73/76/569467376.db2.gz GQLZVMSTTNLBJQ-UHFFFAOYSA-N 1 0 442.991 3.815 50 0 IHAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000008749927 569473315 /nfs/dbraw/zinc/47/33/15/569473315.db2.gz ATBCIMUXDAZQPU-XMMPIXPASA-N 1 0 437.547 3.998 50 0 IHAARO COc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000008768326 569474940 /nfs/dbraw/zinc/47/49/40/569474940.db2.gz LBMHNXGVVAIYRL-HXUWFJFHSA-N 1 0 442.899 3.570 50 0 IHAARO C[NH+](C)[C@H](CNC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ccsc1 ZINC000040120906 569489484 /nfs/dbraw/zinc/48/94/84/569489484.db2.gz PATDIKZLVLUMPJ-SJLPKXTDSA-N 1 0 439.503 3.535 50 0 IHAARO Cc1occc1C(=O)Nc1nc(CC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)cs1 ZINC000040134043 569490495 /nfs/dbraw/zinc/49/04/95/569490495.db2.gz XLRWRYCKRBCIIJ-IBGZPJMESA-N 1 0 432.590 3.712 50 0 IHAARO CCCC[NH+](CCCC)CCCN1CC(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000008964541 569491242 /nfs/dbraw/zinc/49/12/42/569491242.db2.gz QLGVVZPFPFYHNQ-SANMLTNESA-N 1 0 438.616 3.902 50 0 biogenic IHAARO CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000040149619 569492558 /nfs/dbraw/zinc/49/25/58/569492558.db2.gz LHKGYABLQQHGOD-LPHOPBHVSA-N 1 0 428.964 3.825 50 0 IHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(=O)c(OCc2ccccc2F)co1 ZINC000040284104 569497940 /nfs/dbraw/zinc/49/79/40/569497940.db2.gz YGHCLOUMKMQFDT-UHFFFAOYSA-N 1 0 436.483 3.752 50 0 IHAARO C[NH+](C)C1CCN(C(=O)c2csc(NC(=O)c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000040355599 569499794 /nfs/dbraw/zinc/49/97/94/569499794.db2.gz WPUYTOSFKICPLT-UHFFFAOYSA-N 1 0 426.464 3.580 50 0 IHAARO CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@H]1CCCO1 ZINC000245327080 569503737 /nfs/dbraw/zinc/50/37/37/569503737.db2.gz IRBVFSQTUWEQPF-FCHUYYIVSA-N 1 0 443.588 3.710 50 0 IHAARO CC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)CC1CC1 ZINC000245327913 569503869 /nfs/dbraw/zinc/50/38/69/569503869.db2.gz LHBOCAIWZLPEJU-DENIHFKCSA-N 1 0 428.598 3.736 50 0 IHAARO O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCCC1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000069923004 569523900 /nfs/dbraw/zinc/52/39/00/569523900.db2.gz VGUXDHGVXTYXJK-OXJNMPFZSA-N 1 0 440.510 3.928 50 0 IHAARO CC1CC[NH+](Cc2ccc(CNC(=O)CCCn3nnc(-c4ccccc4)n3)cc2)CC1 ZINC000069927009 569524032 /nfs/dbraw/zinc/52/40/32/569524032.db2.gz FAHDLOODPKSTLR-UHFFFAOYSA-N 1 0 432.572 3.669 50 0 IHAARO CCOC(=O)c1cc2cc(NC(=O)NC[C@H]([C@@H]3CCOC3)[NH+]3CCCC3)ccc2s1 ZINC000069951176 569525333 /nfs/dbraw/zinc/52/53/33/569525333.db2.gz WRWOQKVVLPKIGZ-CRAIPNDOSA-N 1 0 431.558 3.700 50 0 IHAARO CC[NH+](CC)CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1cccs1 ZINC000009432581 569534416 /nfs/dbraw/zinc/53/44/16/569534416.db2.gz INKUILVFSICMBI-YADHBBJMSA-N 1 0 443.613 3.523 50 0 IHAARO CN(C)S(=O)(=O)c1ccc(NC(=O)C[N@H+](Cc2ccc(F)cc2)C2CCCCC2)cc1 ZINC000009593813 569550460 /nfs/dbraw/zinc/55/04/60/569550460.db2.gz YNYXLFLGRXCYES-UHFFFAOYSA-N 1 0 447.576 3.849 50 0 IHAARO O=c1c(Cl)c(NCc2ccccc2C[NH+]2CCCC2)cnn1-c1nc2ccccc2[nH]1 ZINC000009712308 569562268 /nfs/dbraw/zinc/56/22/68/569562268.db2.gz ZGUHYHSPWGRMEL-UHFFFAOYSA-N 1 0 434.931 3.970 50 0 IHAARO COc1cc(CNc2[nH+]cc(-c3ccc4c(c3)OCO4)n2C)cc(Br)c1O ZINC000009805818 569568797 /nfs/dbraw/zinc/56/87/97/569568797.db2.gz CLQNERHODUUYGP-UHFFFAOYSA-N 1 0 432.274 3.905 50 0 IHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000009816989 569569286 /nfs/dbraw/zinc/56/92/86/569569286.db2.gz SCNGJXAXULNKCV-UHFFFAOYSA-N 1 0 438.531 3.912 50 0 IHAARO O=c1c(Cl)c(NC2CC[NH+](Cc3ccccc3)CC2)cnn1-c1nc2ccccc2[nH]1 ZINC000009969045 569576017 /nfs/dbraw/zinc/57/60/17/569576017.db2.gz FLEZMAVSUFXLJT-UHFFFAOYSA-N 1 0 434.931 3.839 50 0 IHAARO COc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000010233109 569579495 /nfs/dbraw/zinc/57/94/95/569579495.db2.gz RDSHIZOGBXRTCI-QFIPXVFZSA-N 1 0 436.508 3.534 50 0 IHAARO CCNC(=O)N1CCC[C@@H](c2cccc(C(=O)N3CCC([NH+]4CCCCC4)CC3)c2)C1 ZINC000033264085 569587420 /nfs/dbraw/zinc/58/74/20/569587420.db2.gz CRLDATNDOBCIAH-JOCHJYFZSA-N 1 0 426.605 3.686 50 0 IHAARO Cc1cccc(N2CC[N@H+]([C@@H]3CCCC[C@@H]3NS(=O)(=O)c3ccccc3)C[C@@H]2C)c1 ZINC000006804181 132279319 /nfs/dbraw/zinc/27/93/19/132279319.db2.gz YVBYTYWPSWCLGU-NKKJXINNSA-N 1 0 427.614 3.795 50 0 IHAARO CC[NH+]1CCN(c2ncnc3sc(C(=O)Nc4cc(C)ccc4OC)c(C)c32)CC1 ZINC000009742594 132328063 /nfs/dbraw/zinc/32/80/63/132328063.db2.gz PKTKOYHLFPOWMY-UHFFFAOYSA-N 1 0 425.558 3.711 50 0 IHAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccccc2Br)CC1 ZINC000009934592 132332065 /nfs/dbraw/zinc/33/20/65/132332065.db2.gz BMXHBHMNRUOWGH-UHFFFAOYSA-N 1 0 446.345 3.630 50 0 IHAARO COc1ccc(OCC[NH+]2CCN(c3nc(C(F)(F)F)nc4ccccc43)CC2)cc1 ZINC000013163399 132346036 /nfs/dbraw/zinc/34/60/36/132346036.db2.gz ZHQDVAWERWOELY-UHFFFAOYSA-N 1 0 432.446 3.858 50 0 IHAARO CC(C)CCN1C(=O)N(CCCc2ccncc2)C(=O)C12CC[NH+](Cc1ccoc1)CC2 ZINC000014534733 519652768 /nfs/dbraw/zinc/65/27/68/519652768.db2.gz YKCSXCPFRMHMPS-UHFFFAOYSA-N 1 0 438.572 3.952 50 0 IHAARO CC(C)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]21 ZINC000016012914 519806720 /nfs/dbraw/zinc/80/67/20/519806720.db2.gz OBUYDIXKFNSQRN-ORGXJRBJSA-N 1 0 444.318 3.574 50 0 IHAARO CC(C)c1c(C(=O)NCC(C)(C)C[NH+](C)C)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000012453250 519830754 /nfs/dbraw/zinc/83/07/54/519830754.db2.gz SCYKEQPQAHPONB-UHFFFAOYSA-N 1 0 438.551 3.909 50 0 IHAARO CCOC(=O)C1CC[NH+](C[C@@H](O)COc2ccc3cc(Br)ccc3c2)CC1 ZINC000015879595 520577455 /nfs/dbraw/zinc/57/74/55/520577455.db2.gz AQDFFXPXIYYFSL-LJQANCHMSA-N 1 0 436.346 3.617 50 0 IHAARO CC[NH+](CC)[C@H](CNC(=O)C[C@H]1Sc2ccccc2NC1=O)c1cccc(OC)c1 ZINC000022700922 520862804 /nfs/dbraw/zinc/86/28/04/520862804.db2.gz DBCOHNAFJVEPFS-TZIWHRDSSA-N 1 0 427.570 3.697 50 0 IHAARO CC1CC[NH+](Cc2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)cc2)CC1 ZINC000021881061 521025079 /nfs/dbraw/zinc/02/50/79/521025079.db2.gz PTDJWAQDHQJQOP-UHFFFAOYSA-N 1 0 427.570 3.994 50 0 IHAARO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2cn(CC(N)=O)c3ccccc23)C1 ZINC000012387779 521184306 /nfs/dbraw/zinc/18/43/06/521184306.db2.gz OFMHFGVHAHXCSQ-AREMUKBSSA-N 1 0 433.552 3.515 50 0 IHAARO CCOC(=O)[C@H]1CCCN(C(=O)C2CC[NH+](Cc3cn(C)c4ccc(Cl)cc34)CC2)C1 ZINC000021711233 521287793 /nfs/dbraw/zinc/28/77/93/521287793.db2.gz SRYYXVDYUJCOAX-SFHVURJKSA-N 1 0 445.991 3.845 50 0 IHAARO CCN(Cc1ccccc1OCCO)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012716545 521386044 /nfs/dbraw/zinc/38/60/44/521386044.db2.gz GPASWASNZDZEQE-HSZRJFAPSA-N 1 0 426.601 3.843 50 0 IHAARO CCOC(=O)c1noc2nc(C)nc(NCC3CC[NH+](Cc4ccc(F)cc4)CC3)c21 ZINC000021539146 521607576 /nfs/dbraw/zinc/60/75/76/521607576.db2.gz BTUQPMHGEYULBZ-UHFFFAOYSA-N 1 0 427.480 3.566 50 0 IHAARO CC[NH+]1CCN(Cc2cc3ccc(Cl)cc3n(CCOc3ccccc3)c2=O)CC1 ZINC000020452578 521687586 /nfs/dbraw/zinc/68/75/86/521687586.db2.gz NWKBSOAHFYOTRK-UHFFFAOYSA-N 1 0 425.960 3.871 50 0 IHAARO CC[NH+]1CCN([C@H](c2c(C)c(C)sc2NC(C)=O)c2ccc(C(=O)OC)cc2)CC1 ZINC000021670000 521694686 /nfs/dbraw/zinc/69/46/86/521694686.db2.gz WJTKHOYLVOJQGA-NRFANRHFSA-N 1 0 429.586 3.837 50 0 IHAARO COc1cc(Br)c(OC)c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000012759294 522025103 /nfs/dbraw/zinc/02/51/03/522025103.db2.gz GJDWAWRFJGFWJO-KRWDZBQOSA-N 1 0 425.298 3.638 50 0 IHAARO COc1cc(NC(=O)c2ccc(SCC[NH+]3CCCCC3)nc2)cc(OC)c1OC ZINC000015869391 522724388 /nfs/dbraw/zinc/72/43/88/522724388.db2.gz XMRYUGSMPVMQDN-UHFFFAOYSA-N 1 0 431.558 3.938 50 0 IHAARO COc1cc2cc(C[NH2+]C[C@@H]3COCCO3)c(OCc3ccc(C)cc3)nc2cc1OC ZINC000012218367 523058782 /nfs/dbraw/zinc/05/87/82/523058782.db2.gz VGKXGYYCOYKGCQ-OAQYLSRUSA-N 1 0 438.524 3.644 50 0 IHAARO CO[C@@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2cnn(C(C)C)c2)CC1)c1ccccc1 ZINC000012467381 523337886 /nfs/dbraw/zinc/33/78/86/523337886.db2.gz CKHWLDQCZFFKSZ-HSZRJFAPSA-N 1 0 436.560 3.824 50 0 IHAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(F)c1)C(c1ccc(F)cc1)=N2 ZINC000035372757 523788987 /nfs/dbraw/zinc/78/89/87/523788987.db2.gz ZBBAIMLHEAVBHP-UHFFFAOYSA-N 1 0 428.508 3.960 50 0 IHAARO CCc1ccc(C[NH+]2CCC([C@@]3(C)NC(=O)N(C4Cc5ccccc5C4)C3=O)CC2)cc1 ZINC000012099031 523923774 /nfs/dbraw/zinc/92/37/74/523923774.db2.gz SCYRNKUOGTYDGJ-HHHXNRCGSA-N 1 0 431.580 3.939 50 0 IHAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+]([C@@H](C)Cc2ccccc2F)CC1 ZINC000012713912 523926516 /nfs/dbraw/zinc/92/65/16/523926516.db2.gz ZMJXNZYOPGNTRY-SFHVURJKSA-N 1 0 444.547 3.685 50 0 IHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(CN2C(=O)CSc3ncccc32)cc1 ZINC000021872496 524105484 /nfs/dbraw/zinc/10/54/84/524105484.db2.gz PVMDAWPLSREZRW-GOSISDBHSA-N 1 0 438.597 3.715 50 0 IHAARO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)CCCc3cccs3)C2)CC1 ZINC000020535462 524561955 /nfs/dbraw/zinc/56/19/55/524561955.db2.gz SJWRUSXCRHYMCI-FQEVSTJZSA-N 1 0 427.614 3.893 50 0 IHAARO COc1ccc(NC(=O)NCc2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)cc1OC ZINC000020927177 524569894 /nfs/dbraw/zinc/56/98/94/524569894.db2.gz BRTQKAAYTXBNIU-UHFFFAOYSA-N 1 0 426.542 3.866 50 0 IHAARO C[C@@H]1CCc2c(sc3nc(CCC(=O)N4CC[NH+](C5CCCCC5)CC4)[nH]c(=O)c23)C1 ZINC000021882433 524725922 /nfs/dbraw/zinc/72/59/22/524725922.db2.gz IQNBQQUZEGHTDK-MRXNPFEDSA-N 1 0 442.629 3.519 50 0 IHAARO COc1ccc(OC)c(-c2cc3c(c(Cl)c2)O[C@@H](CNC(=O)C[NH+]2CCCC2)C3)c1 ZINC000014992832 524790737 /nfs/dbraw/zinc/79/07/37/524790737.db2.gz HTOAPJUBPIBNDW-GOSISDBHSA-N 1 0 430.932 3.540 50 0 IHAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCCOc2cccnc2)c1 ZINC000012308498 524925413 /nfs/dbraw/zinc/92/54/13/524925413.db2.gz PHGLDNZUTQTSOI-UHFFFAOYSA-N 1 0 439.556 3.685 50 0 IHAARO C[C@@H](NC(=O)C1CC1)c1nnc2n1CC[N@@H+](Cc1ccc(-c3ccc(Cl)cc3)o1)CC2 ZINC000020451440 525063562 /nfs/dbraw/zinc/06/35/62/525063562.db2.gz SEOXIORNYROARY-OAHLLOKOSA-N 1 0 439.947 3.837 50 0 IHAARO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035844122 525590307 /nfs/dbraw/zinc/59/03/07/525590307.db2.gz WFAMEJVXXNEJOG-NRGSMNHXSA-N 1 0 449.938 3.696 50 0 IHAARO Cc1c(C(=O)NCC2([NH+]3CCCCC3)CCCC2)sc2ncnc(N[C@@H]3CCOC3)c12 ZINC000012281960 525606835 /nfs/dbraw/zinc/60/68/35/525606835.db2.gz VSSGIXRTDFCWLG-QGZVFWFLSA-N 1 0 443.617 3.729 50 0 IHAARO Cc1c(C(=O)NCCc2cccs2)sc2ncnc(NCC[NH+]3CCCCC3)c12 ZINC000012279716 525617504 /nfs/dbraw/zinc/61/75/04/525617504.db2.gz SCRPDHFUUFEJRD-UHFFFAOYSA-N 1 0 429.615 3.932 50 0 IHAARO Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)NCCC[NH+]4CCC(C)CC4)C3)nn2)cc1 ZINC000035398120 525752826 /nfs/dbraw/zinc/75/28/26/525752826.db2.gz NXCZHZJYYABYSN-QHCPKHFHSA-N 1 0 435.616 3.907 50 0 IHAARO COc1cccc(Cn2ncc3ccc(C(=O)NCC[N@H+](C)Cc4ccccc4)cc32)c1 ZINC000035559988 526112477 /nfs/dbraw/zinc/11/24/77/526112477.db2.gz OUHZTJMLBFKPIE-UHFFFAOYSA-N 1 0 428.536 3.955 50 0 IHAARO O[C@]1(c2ccc(Br)cc2)CN2CCCCCC2=[N+]1c1ccc2c(c1)OCO2 ZINC000017160367 526320607 /nfs/dbraw/zinc/32/06/07/526320607.db2.gz HWASZKFFFPILFJ-NRFANRHFSA-N 1 0 430.322 3.828 50 0 IHAARO Fc1ccc(N2CCN([C@@H]3CCC[N@H+](Cc4cnc(N5CCCC5)s4)C3)CC2)cc1 ZINC000020562443 526352591 /nfs/dbraw/zinc/35/25/91/526352591.db2.gz MBCPIJZHABJKRN-OAQYLSRUSA-N 1 0 429.609 3.669 50 0 IHAARO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1nn2cc(Br)cnc2c1Cl ZINC000012428321 526422971 /nfs/dbraw/zinc/42/29/71/526422971.db2.gz UPZBPJXOSSLKCU-DGCLKSJQSA-N 1 0 427.730 3.567 50 0 IHAARO O=C(CCCn1c(=O)c2cccn2c2ccccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000020489747 526470070 /nfs/dbraw/zinc/47/00/70/526470070.db2.gz CXVXLOFBWZCISL-UHFFFAOYSA-N 1 0 442.563 3.815 50 0 IHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000022751440 526493013 /nfs/dbraw/zinc/49/30/13/526493013.db2.gz SKKBPTGDORZDMR-NRFANRHFSA-N 1 0 434.540 3.673 50 0 IHAARO O=C(CC[C@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1)N1CCN(c2ccccn2)CC1 ZINC000012308882 526570034 /nfs/dbraw/zinc/57/00/34/526570034.db2.gz UDTUBQARCGIMDY-JOCHJYFZSA-N 1 0 443.595 3.971 50 0 IHAARO O=C(CCN1C(=S)N=NC1c1cccs1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000012740300 526670189 /nfs/dbraw/zinc/67/01/89/526670189.db2.gz XRQOMICNIUFQJP-KRWDZBQOSA-N 1 0 427.599 3.639 50 0 IHAARO O=C(c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)N1CCCC[C@@H]1CCCO ZINC000012315057 526707339 /nfs/dbraw/zinc/70/73/39/526707339.db2.gz AZQXOVZIGGRBDL-HSZRJFAPSA-N 1 0 437.584 3.892 50 0 IHAARO O=C(CN1CC[NH+](CCc2ccccc2)CC1)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000022242950 526771863 /nfs/dbraw/zinc/77/18/63/526771863.db2.gz XQAFKYPYYIJJDE-UHFFFAOYSA-N 1 0 442.535 3.887 50 0 IHAARO O=C(c1cn(C(c2ccccc2)c2ccccc2)nn1)N1CCC[C@@H](C[NH+]2CCCC2)C1 ZINC000012596892 526863772 /nfs/dbraw/zinc/86/37/72/526863772.db2.gz AVNQALCVQATHSX-NRFANRHFSA-N 1 0 429.568 3.864 50 0 IHAARO Cn1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 ZINC000022822100 527055398 /nfs/dbraw/zinc/05/53/98/527055398.db2.gz XSDVECNBQRMNEB-UHFFFAOYSA-N 1 0 449.599 3.636 50 0 IHAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2cc(Br)ccc2OCc2ccccn2)N1 ZINC000012520469 527138430 /nfs/dbraw/zinc/13/84/30/527138430.db2.gz YOWHELYWFZNZRH-IBGZPJMESA-N 1 0 449.312 3.869 50 0 IHAARO O=c1c2c(ncn1Cc1ccccn1)sc1c2CC[C@H]([NH2+]CCc2ccccc2F)C1 ZINC000012219255 527456981 /nfs/dbraw/zinc/45/69/81/527456981.db2.gz NPYWJSVUBQOVFL-KRWDZBQOSA-N 1 0 434.540 3.730 50 0 IHAARO O=C(NC1CCCC1)c1ccc(N2CCC([NH2+]Cc3cnn(-c4ccccc4)n3)CC2)cc1 ZINC000012098100 527510494 /nfs/dbraw/zinc/51/04/94/527510494.db2.gz GXCBYDYPDKNOFI-UHFFFAOYSA-N 1 0 444.583 3.698 50 0 IHAARO O=C(/C=C/c1ccccc1)N1CCC(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000012772106 527631461 /nfs/dbraw/zinc/63/14/61/527631461.db2.gz VMQXKYIUDYVPFM-VAWYXSNFSA-N 1 0 431.580 3.719 50 0 IHAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1cc2ccc3cccnc3c2[nH]1 ZINC000020575465 527667730 /nfs/dbraw/zinc/66/77/30/527667730.db2.gz SEMZIGSDEALYEV-UHFFFAOYSA-N 1 0 431.515 3.797 50 0 IHAARO Cc1nn(C)cc1C[N@H+](C)[C@H](Cc1ccccc1)C1CCN(C(=O)c2ocnc2C)CC1 ZINC000020451624 527692463 /nfs/dbraw/zinc/69/24/63/527692463.db2.gz ZWNWVYULSVFELY-HSZRJFAPSA-N 1 0 435.572 3.620 50 0 IHAARO CCCC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(C)c(Cl)c3)co2)CC1 ZINC000034677573 555796090 /nfs/dbraw/zinc/79/60/90/555796090.db2.gz IJLMDPMPZVASPW-GOSISDBHSA-N 1 0 434.968 3.557 50 0 IHAARO CCC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@@H]1C ZINC000034830500 555911777 /nfs/dbraw/zinc/91/17/77/555911777.db2.gz WSCHBVZXJZMYCN-XDHUDOTRSA-N 1 0 443.588 3.694 50 0 IHAARO CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1)C(=O)CC(C)C ZINC000034831267 555912246 /nfs/dbraw/zinc/91/22/46/555912246.db2.gz NTKWWSWWWFXPSH-UHFFFAOYSA-N 1 0 429.584 3.856 50 0 IHAARO CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)C1CC1 ZINC000034835497 555913825 /nfs/dbraw/zinc/91/38/25/555913825.db2.gz LQPXQSCGGNHOKW-UHFFFAOYSA-N 1 0 427.568 3.610 50 0 IHAARO COc1c(C)cc(S(=O)(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c(C)c1C ZINC000005013864 556028235 /nfs/dbraw/zinc/02/82/35/556028235.db2.gz LVXCVBPCSMMULW-UHFFFAOYSA-N 1 0 432.630 3.896 50 0 IHAARO Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000002780635 556141595 /nfs/dbraw/zinc/14/15/95/556141595.db2.gz RYAHHFMMJPIXOY-LLVKDONJSA-N 1 0 425.293 3.523 50 0 IHAARO CCOc1cc(C[NH2+][C@@H](CC)CO)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000008437948 556173907 /nfs/dbraw/zinc/17/39/07/556173907.db2.gz KCWVIOPBCGLGSZ-KRWDZBQOSA-N 1 0 440.462 3.982 50 0 IHAARO CC[NH+](CC)CCn1c(=N)n(CC(=O)c2ccc(Br)s2)c2ccccc21 ZINC000009008932 556240601 /nfs/dbraw/zinc/24/06/01/556240601.db2.gz POANTKOHXPOYEB-UHFFFAOYSA-N 1 0 435.391 3.971 50 0 IHAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=S)Nc2ccc(Nc3ccccc3)cc2)CC1 ZINC000009161070 556249897 /nfs/dbraw/zinc/24/98/97/556249897.db2.gz ZDKKJICIDSXDHZ-UHFFFAOYSA-N 1 0 437.613 3.933 50 0 IHAARO Cc1c2c(nn1-c1ccccc1)c(SCC(=O)NCC[NH+]1CCCCCC1)nnc2C ZINC000009224486 556258060 /nfs/dbraw/zinc/25/80/60/556258060.db2.gz HHGMMWIRLKFIHL-UHFFFAOYSA-N 1 0 438.601 3.517 50 0 IHAARO CC[NH+](CC)CCNC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c(C)[nH]c2ccccc21 ZINC000013945796 556343071 /nfs/dbraw/zinc/34/30/71/556343071.db2.gz CYOQDMYDKUUJCU-RUZDIDTESA-N 1 0 432.568 3.870 50 0 IHAARO O=C(CCc1ccncc1)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000011665531 556346061 /nfs/dbraw/zinc/34/60/61/556346061.db2.gz PBNZLJCGJAGAEG-HHHXNRCGSA-N 1 0 447.623 3.901 50 0 IHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000014047931 556358525 /nfs/dbraw/zinc/35/85/25/556358525.db2.gz CGMGQEHNZKWGFB-SFHVURJKSA-N 1 0 436.478 3.863 50 0 IHAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)CCn2cccn2)CC1 ZINC000011821867 556363372 /nfs/dbraw/zinc/36/33/72/556363372.db2.gz GPQHZWVRYQCUTP-UHFFFAOYSA-N 1 0 431.584 3.918 50 0 IHAARO COc1ccc(C(=O)N(C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)o1 ZINC000011880052 556372215 /nfs/dbraw/zinc/37/22/15/556372215.db2.gz WJWNHDLONXGARM-HSZRJFAPSA-N 1 0 438.568 3.789 50 0 IHAARO COc1ccc(CCN2C(=O)CC[C@@H]2CC[NH2+]Cc2cc3c(cc2Cl)OCO3)cc1 ZINC000011967308 556382066 /nfs/dbraw/zinc/38/20/66/556382066.db2.gz AYDMPYWWRTZDTI-GOSISDBHSA-N 1 0 430.932 3.791 50 0 IHAARO COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC(=O)N(c4ccccc4C(F)(F)F)C3=O)c2c1 ZINC000012371447 556403620 /nfs/dbraw/zinc/40/36/20/556403620.db2.gz ANVOYXQBOQUTPT-GOSISDBHSA-N 1 0 431.414 3.660 50 0 IHAARO COc1ccc(C)cc1N1C[C@H](C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1=O ZINC000014254523 556410350 /nfs/dbraw/zinc/41/03/50/556410350.db2.gz IIJDYTMBDUINCZ-JOCHJYFZSA-N 1 0 435.568 3.659 50 0 IHAARO Cc1ccc2c(c1)C(=O)N(CCCC(=O)NCc1ccc(C[NH+]3CCCCC3)cc1)C2=O ZINC000012997373 556431850 /nfs/dbraw/zinc/43/18/50/556431850.db2.gz OYOXMGWPBOOPRP-UHFFFAOYSA-N 1 0 433.552 3.674 50 0 IHAARO Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCc3ccccc3)C[N@H+](Cc3ccncc3)C2)cn1 ZINC000014742401 556439464 /nfs/dbraw/zinc/43/94/64/556439464.db2.gz YUHFYAFGQDOFII-LOSJGSFVSA-N 1 0 444.579 3.661 50 0 IHAARO CCn1nc(C(=O)NCc2ccncc2)c2c1CC[C@H]([N@H+]1CC=C(c3ccccc3)CC1)C2 ZINC000014747468 556441803 /nfs/dbraw/zinc/44/18/03/556441803.db2.gz RQNVVKYTNZNRKW-QHCPKHFHSA-N 1 0 441.579 3.875 50 0 IHAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(CSc2nccn2C)o1 ZINC000028105121 556443942 /nfs/dbraw/zinc/44/39/42/556443942.db2.gz XYPPLVNXUCGIQM-UHFFFAOYSA-N 1 0 425.558 3.618 50 0 IHAARO O=C(CSc1nnc(C2CC2)[nH]1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000014846495 556449809 /nfs/dbraw/zinc/44/98/09/556449809.db2.gz SCNYSPPEJKRGOD-UHFFFAOYSA-N 1 0 448.596 3.735 50 0 IHAARO CCN1CCN(C(=O)c2ccc(N3CCC([NH2+][C@@H](C)Cc4ccsc4)CC3)cc2)CC1 ZINC000014879984 556453180 /nfs/dbraw/zinc/45/31/80/556453180.db2.gz GRXMQQKEXLPUPR-FQEVSTJZSA-N 1 0 440.657 3.715 50 0 IHAARO C[C@H](NC(=O)C1CC1)c1nnc2n1CC[N@@H+](Cc1ccc(N(C)c3ccccc3)cc1)CC2 ZINC000014882250 556454151 /nfs/dbraw/zinc/45/41/51/556454151.db2.gz DSLCARDMFCIFDQ-IBGZPJMESA-N 1 0 444.583 3.692 50 0 IHAARO COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@@H+](C/C=C/C(C)C)CC3)o1 ZINC000014883215 556454733 /nfs/dbraw/zinc/45/47/33/556454733.db2.gz ARQPRWHVKWWJIA-ROUKRRSUSA-N 1 0 443.592 3.605 50 0 IHAARO COc1cc(NC(=O)CC[C@@H]2CCC[N@H+](Cc3cnc(N(C)C)s3)C2)cc(OC)c1 ZINC000014953656 556461626 /nfs/dbraw/zinc/46/16/26/556461626.db2.gz ZTORBCGENKERTP-INIZCTEOSA-N 1 0 432.590 3.857 50 0 IHAARO COc1ccc([C@@H](CNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)[NH+](C)C)cc1 ZINC000028932335 556464106 /nfs/dbraw/zinc/46/41/06/556464106.db2.gz ZOMANXYAYBGNLA-MJGOQNOKSA-N 1 0 433.961 3.571 50 0 IHAARO Cc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1C ZINC000014989860 556474364 /nfs/dbraw/zinc/47/43/64/556474364.db2.gz OJWQSCSMBLIHOW-NRFANRHFSA-N 1 0 431.584 3.763 50 0 IHAARO O=c1c2c(ncn1Cc1ccccn1)sc1c2CC[C@@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000015002180 556480126 /nfs/dbraw/zinc/48/01/26/556480126.db2.gz CIFBOGCELHPAGS-GOSISDBHSA-N 1 0 428.561 3.516 50 0 IHAARO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000072289635 556484260 /nfs/dbraw/zinc/48/42/60/556484260.db2.gz MNONSUIXZSLUGE-PXNSSMCTSA-N 1 0 440.554 3.643 50 0 IHAARO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4ccc5c(c4)no[n+]5[O-])C3)C2)cc1 ZINC000015072736 556496966 /nfs/dbraw/zinc/49/69/66/556496966.db2.gz PFVPTYRBVZXSNP-RUZDIDTESA-N 1 0 434.540 3.713 50 0 IHAARO CCOc1cc(Br)c(CC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1OCC ZINC000072311469 556583873 /nfs/dbraw/zinc/58/38/73/556583873.db2.gz MCUGRCPMUBIGML-AWEZNQCLSA-N 1 0 429.399 3.882 50 0 IHAARO C[NH+](C)[C@H](CNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)c1cccc(F)c1 ZINC000032983597 556603474 /nfs/dbraw/zinc/60/34/74/556603474.db2.gz VFIVIOUZLVSOMF-HSZRJFAPSA-N 1 0 444.510 3.617 50 0 IHAARO O=C(CCCn1c(=O)oc2ccccc21)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000032988519 556608758 /nfs/dbraw/zinc/60/87/58/556608758.db2.gz KRCBYBIMAZFHCF-HXUWFJFHSA-N 1 0 427.932 3.981 50 0 IHAARO C[N@H+](CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)[C@H]1CCCc2ccccc21 ZINC000016699095 556629147 /nfs/dbraw/zinc/62/91/47/556629147.db2.gz RZOXPHAJAHPADT-YVUGPFRESA-N 1 0 449.576 3.849 50 0 IHAARO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000011859535 556664070 /nfs/dbraw/zinc/66/40/70/556664070.db2.gz ZZWYZLNJNDRWLP-UHFFFAOYSA-N 1 0 433.883 3.911 50 0 IHAARO O[C@@]1(c2ccc(Br)cc2)CN2CCCCCC2=[N+]1c1ccc2c(c1)OCO2 ZINC000017160364 556670587 /nfs/dbraw/zinc/67/05/87/556670587.db2.gz HWASZKFFFPILFJ-OAQYLSRUSA-N 1 0 430.322 3.828 50 0 IHAARO CC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856971 556672859 /nfs/dbraw/zinc/67/28/59/556672859.db2.gz TXPIKZWXWIXGMF-QHCPKHFHSA-N 1 0 428.598 3.878 50 0 IHAARO CC(C)Cc1nnc(C(=O)Nc2cccc(C(=O)NCCC[NH+]3CCCCC3)c2)s1 ZINC000033022915 556688212 /nfs/dbraw/zinc/68/82/12/556688212.db2.gz FOLUMKLJUSGLJI-UHFFFAOYSA-N 1 0 429.590 3.595 50 0 IHAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2cccc(NC(=O)c3nnc(C4CC4)s3)c2)C1 ZINC000033023062 556691518 /nfs/dbraw/zinc/69/15/18/556691518.db2.gz JCTGMJVJIZMMBW-OAHLLOKOSA-N 1 0 427.574 3.520 50 0 IHAARO COc1cc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)ccc1F ZINC000019148331 556707252 /nfs/dbraw/zinc/70/72/52/556707252.db2.gz LIKORLGPJMAEIR-FQEVSTJZSA-N 1 0 440.563 3.570 50 0 IHAARO CC[N@@H+]1CCC[C@H](CN(C)Cc2cnc(S(=O)(=O)CC(C)C)n2Cc2ccccc2)C1 ZINC000019227955 556717449 /nfs/dbraw/zinc/71/74/49/556717449.db2.gz LQHYUFCHWIIQLZ-JOCHJYFZSA-N 1 0 446.661 3.525 50 0 IHAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)N4CCc5ccccc5C4)c(C)c32)CC1 ZINC000033048423 556744987 /nfs/dbraw/zinc/74/49/87/556744987.db2.gz FLLFRDWKWGIZOF-UHFFFAOYSA-N 1 0 435.597 3.730 50 0 IHAARO CCCSCCCNC(=O)c1sc2ncnc(N3CC[NH+](CCC)CC3)c2c1C ZINC000033048481 556745066 /nfs/dbraw/zinc/74/50/66/556745066.db2.gz MBMIDFALIUKBBB-UHFFFAOYSA-N 1 0 435.663 3.795 50 0 IHAARO CC[N@@H+]1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3ccc(C)cc3F)c(=O)c2C1 ZINC000062007158 556765496 /nfs/dbraw/zinc/76/54/96/556765496.db2.gz NSARSVXDLOXWFY-UHFFFAOYSA-N 1 0 438.478 3.514 50 0 IHAARO COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000058167934 556767296 /nfs/dbraw/zinc/76/72/96/556767296.db2.gz IYEMUYOUHJAGCQ-FFXXTYGZSA-N 1 0 449.595 3.906 50 0 IHAARO Cc1nn([C@@H]2CCS(=O)(=O)C2)c2ncc(C[NH2+][C@@H](C)c3ccc4c(c3)CCCC4)cc12 ZINC000058172269 556768475 /nfs/dbraw/zinc/76/84/75/556768475.db2.gz MZBGMNCHULERMF-KSFYIVLOSA-N 1 0 438.597 3.829 50 0 IHAARO CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000059057582 556794588 /nfs/dbraw/zinc/79/45/88/556794588.db2.gz AJDUPXGDEZQTMY-RTBURBONSA-N 1 0 428.598 3.888 50 0 IHAARO COc1ccc(NC(=O)[C@H](C)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1OC ZINC000060036477 556806122 /nfs/dbraw/zinc/80/61/22/556806122.db2.gz MDGOPZUQICULAH-SFHVURJKSA-N 1 0 438.572 3.675 50 0 IHAARO C[N@H+](CCCNC(=O)c1nnc(C(=O)Nc2cccc(Cl)c2)s1)Cc1ccccc1 ZINC000033060337 556816771 /nfs/dbraw/zinc/81/67/71/556816771.db2.gz QMZICXXASXXBRB-UHFFFAOYSA-N 1 0 443.960 3.696 50 0 IHAARO CC[NH+](CC)CCNC(=O)c1ccc2ccnc(N3CCN(c4ccccc4F)CC3)c2c1 ZINC000065002358 556830554 /nfs/dbraw/zinc/83/05/54/556830554.db2.gz VHUITJXLSNOBRO-UHFFFAOYSA-N 1 0 449.574 3.772 50 0 IHAARO Cc1nnc(SCC(=O)N(Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)o1 ZINC000067643381 556845397 /nfs/dbraw/zinc/84/53/97/556845397.db2.gz FTIDDXVCMQSOGY-FQEVSTJZSA-N 1 0 443.617 3.939 50 0 IHAARO C[N@H+](CCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)C1CCCCC1 ZINC000033131261 556871697 /nfs/dbraw/zinc/87/16/97/556871697.db2.gz FVJBXNGGWVYYNY-UHFFFAOYSA-N 1 0 442.025 3.509 50 0 IHAARO COc1ccc(-n2cc(C[NH2+]CCN3CCOCC3)c(-c3ccccc3Cl)n2)cc1 ZINC000019732190 556876769 /nfs/dbraw/zinc/87/67/69/556876769.db2.gz YCMGINMNBXETEF-UHFFFAOYSA-N 1 0 426.948 3.623 50 0 IHAARO COc1cc(C(=O)O[C@@H]2CC[N@H+](CCCC(=O)c3ccc(F)cc3)C2)cc(OC)c1OC ZINC000071769294 556887891 /nfs/dbraw/zinc/88/78/91/556887891.db2.gz HQQZFTYLAGVMLP-LJQANCHMSA-N 1 0 445.487 3.746 50 0 IHAARO CC[NH+]1CCN([C@@H](CNC(=O)c2ccc(Br)cc2)c2ccc(OC)cc2)CC1 ZINC000019902088 556942318 /nfs/dbraw/zinc/94/23/18/556942318.db2.gz IQYHNGVYUSNANQ-NRFANRHFSA-N 1 0 446.389 3.566 50 0 IHAARO OCC[C@@H]1CN(C2CCN(c3ccccc3F)CC2)CC[N@@H+]1CCCc1ccccc1 ZINC000020255048 557003717 /nfs/dbraw/zinc/00/37/17/557003717.db2.gz MBTPYOJVLTYDPO-XMMPIXPASA-N 1 0 425.592 3.796 50 0 IHAARO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000023127440 557011820 /nfs/dbraw/zinc/01/18/20/557011820.db2.gz WBUHQMBHLOZMAS-UHFFFAOYSA-N 1 0 435.446 3.552 50 0 IHAARO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+]([C@@H](C)Cn2nc(C)cc2C)CC1 ZINC000020419234 557015194 /nfs/dbraw/zinc/01/51/94/557015194.db2.gz ZGIJMYKYGQNJPU-IBGZPJMESA-N 1 0 436.560 3.683 50 0 IHAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)NC(=O)Nc1ccccc1F ZINC000022920615 557047339 /nfs/dbraw/zinc/04/73/39/557047339.db2.gz DTZRGXLVLNVPEP-UHFFFAOYSA-N 1 0 446.526 3.881 50 0 IHAARO O=C(CC[N@@H+]1CCC[C@H]1c1ccsc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000048248807 557048332 /nfs/dbraw/zinc/04/83/32/557048332.db2.gz RHZJABRYROQGAM-FQEVSTJZSA-N 1 0 433.599 3.698 50 0 IHAARO C[NH+](C)CCN(Cc1ccccc1F)C(=O)COc1ccc(Br)cc1F ZINC000048309464 557059921 /nfs/dbraw/zinc/05/99/21/557059921.db2.gz MWRCYVACOFKZIV-UHFFFAOYSA-N 1 0 427.289 3.697 50 0 IHAARO CC[NH+](CC)[C@@H](CNC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)c1cccc(OC)c1 ZINC000023074853 557061805 /nfs/dbraw/zinc/06/18/05/557061805.db2.gz DSOCXWJSUIBEAE-QHCPKHFHSA-N 1 0 448.567 3.880 50 0 IHAARO c1cnn(-c2cncc(NCc3ccccc3C[NH+]3CCN(c4ccccc4)CC3)n2)c1 ZINC000048300525 557062351 /nfs/dbraw/zinc/06/23/51/557062351.db2.gz MPLSFCLYBJNNOU-UHFFFAOYSA-N 1 0 425.540 3.597 50 0 IHAARO COc1cc(Br)c(C[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1OC ZINC000048340973 557070429 /nfs/dbraw/zinc/07/04/29/557070429.db2.gz ZHLZTIZEJSZTOX-GFCCVEGCSA-N 1 0 443.363 3.689 50 0 IHAARO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000048344949 557071995 /nfs/dbraw/zinc/07/19/95/557071995.db2.gz HXGRLZKKKAMPGO-FQEVSTJZSA-N 1 0 429.561 3.626 50 0 IHAARO Cc1cccc(C[N@@H+]2CCc3nc(C)n(CC(=O)Nc4cc(C)ccc4C)c(=O)c3C2)c1 ZINC000049400938 557096765 /nfs/dbraw/zinc/09/67/65/557096765.db2.gz SZRKUSKYUDTSJM-UHFFFAOYSA-N 1 0 430.552 3.674 50 0 IHAARO Cc1nc2scc(-c3cccs3)c2c(NC[C@H]([C@@H]2CCOC2)[NH+]2CCOCC2)n1 ZINC000024204148 557140806 /nfs/dbraw/zinc/14/08/06/557140806.db2.gz YCCYODKOGVYWTI-NVXWUHKLSA-N 1 0 430.599 3.877 50 0 IHAARO C[C@H](NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000024572650 557151417 /nfs/dbraw/zinc/15/14/17/557151417.db2.gz QWEPIRRBZOQCGP-CUNXSJBXSA-N 1 0 435.612 3.519 50 0 IHAARO c1cnc2c(c1)cccc2C[N@H+]1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000095347220 557156835 /nfs/dbraw/zinc/15/68/35/557156835.db2.gz ZMPAYUWWKLNPQM-DEOSSOPVSA-N 1 0 444.579 3.746 50 0 IHAARO COC(=O)c1c(C)[nH]c(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1C ZINC000024842891 557173634 /nfs/dbraw/zinc/17/36/34/557173634.db2.gz LWZPYPCYQODYQX-UHFFFAOYSA-N 1 0 437.462 3.785 50 0 IHAARO CCCn1c2ccccc2n(CCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1=O ZINC000018233282 557253362 /nfs/dbraw/zinc/25/33/62/557253362.db2.gz JYBOBRVHAPTVRK-UHFFFAOYSA-N 1 0 434.584 3.905 50 0 IHAARO CCCN(CC(=O)Nc1ccccc1OC)[C@H](C)C(=O)N[C@H](C)CCc1ccccc1 ZINC000102396337 557320596 /nfs/dbraw/zinc/32/05/96/557320596.db2.gz GVBHHWBHTLZXFM-WOJBJXKFSA-N 1 0 425.573 3.872 50 0 IHAARO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccccc1-c1nc(-c2cccc(F)c2)no1 ZINC000033307196 557333441 /nfs/dbraw/zinc/33/34/41/557333441.db2.gz MPQVCICHDHRVRZ-INIZCTEOSA-N 1 0 444.532 3.695 50 0 IHAARO CSCC[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000004872200 557399878 /nfs/dbraw/zinc/39/98/78/557399878.db2.gz DYEZODKJFRWBRH-BIXPGCQOSA-N 1 0 425.683 3.535 50 0 IHAARO Cc1cc(N2CC[C@]3(O)CCCC[C@@H]3C2)nc([C@H](C)N2CC[C@@]3(O)CCCC[C@@H]3C2)n1 ZINC000108151197 557541453 /nfs/dbraw/zinc/54/14/53/557541453.db2.gz BZEVBUNFRZVASC-KJOYFNOOSA-N 1 0 428.621 3.604 50 0 IHAARO CN(C(=O)NCc1cccnc1OCC(F)F)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000225526222 557736217 /nfs/dbraw/zinc/73/62/17/557736217.db2.gz RYZJCCARDYCFJE-UHFFFAOYSA-N 1 0 434.487 3.546 50 0 IHAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCC2([NH+](C)C)CCCCC2)cc1 ZINC000002645895 562929190 /nfs/dbraw/zinc/92/91/90/562929190.db2.gz QJMASTQMRRLSPK-UHFFFAOYSA-N 1 0 443.613 3.896 50 0 IHAARO Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)o1 ZINC000003006099 562931509 /nfs/dbraw/zinc/93/15/09/562931509.db2.gz RDILKWROSMTLEO-RTBURBONSA-N 1 0 446.613 3.801 50 0 IHAARO Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000009671625 562975159 /nfs/dbraw/zinc/97/51/59/562975159.db2.gz PWLSSSMPMVFUFZ-HSZRJFAPSA-N 1 0 437.565 3.829 50 0 IHAARO COc1ccc(C)c2sc(N(CCC[NH+](C)C)C(=O)c3ccc4c(c3)OCCO4)nc21 ZINC000010068650 562978392 /nfs/dbraw/zinc/97/83/92/562978392.db2.gz GNERZWOWHNEPQY-UHFFFAOYSA-N 1 0 441.553 3.983 50 0 IHAARO COc1cccc(C[N@H+](C[C@H](O)COCC(C)C)C[C@H]2CC(c3ccccc3)=NO2)c1 ZINC000104984599 568623412 /nfs/dbraw/zinc/62/34/12/568623412.db2.gz VSUOEWAHGMWLOZ-LADGPHEKSA-N 1 0 426.557 3.724 50 0 IHAARO O[C@@H](COCc1ccco1)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104985232 568623543 /nfs/dbraw/zinc/62/35/43/568623543.db2.gz WDTGGJSRMKQODF-IFMALSPDSA-N 1 0 438.499 3.992 50 0 IHAARO COc1ccc(-c2nc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)cs2)cc1OC ZINC000018948041 568628986 /nfs/dbraw/zinc/62/89/86/568628986.db2.gz MQLHIROFDPKNEL-UHFFFAOYSA-N 1 0 438.553 3.831 50 0 IHAARO COc1ccc(F)cc1S(=O)(=O)NCC1CC[NH+](Cc2ccccc2SC)CC1 ZINC000043959614 568744506 /nfs/dbraw/zinc/74/45/06/568744506.db2.gz MUTQWFOYPVSROW-UHFFFAOYSA-N 1 0 438.590 3.747 50 0 IHAARO Cc1cccn2cc(CN3C(=O)CC[C@@H]3CC[NH2+]Cc3cc4c(cc3Cl)OCO4)nc12 ZINC000299763963 568756208 /nfs/dbraw/zinc/75/62/08/568756208.db2.gz ZOHPRKMUUYZIKV-GOSISDBHSA-N 1 0 440.931 3.696 50 0 IHAARO CSc1ccc2cc(C[NH2+]C[C@@H]3COc4ccccc4O3)c(N3CCOCC3)nc2c1 ZINC000299794119 568757633 /nfs/dbraw/zinc/75/76/33/568757633.db2.gz JHJRVWAXUYBJMN-LJQANCHMSA-N 1 0 437.565 3.723 50 0 IHAARO COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccn4c[nH+]cc4c3)ccc2C)cc1 ZINC000084190106 568796002 /nfs/dbraw/zinc/79/60/02/568796002.db2.gz DKBIIGDABUVDFH-UHFFFAOYSA-N 1 0 436.493 3.704 50 0 IHAARO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000084687071 568799995 /nfs/dbraw/zinc/79/99/95/568799995.db2.gz BBCHSWCDTLTDGD-YKSBVNFPSA-N 1 0 434.584 3.613 50 0 IHAARO CCCOc1ccc(CN(CCC[NH+](C)C)C(=O)[C@@H](C)n2nc(C)cc2C)cc1OC ZINC000084758594 568801158 /nfs/dbraw/zinc/80/11/58/568801158.db2.gz WBIBTAUXBFGMBL-HXUWFJFHSA-N 1 0 430.593 3.839 50 0 IHAARO C[C@@H]1CCC[N@H+](CCCNC(=O)CN2c3cc(Cl)ccc3Oc3ncccc3C2=O)C1 ZINC000015679984 568805855 /nfs/dbraw/zinc/80/58/55/568805855.db2.gz DBIBEJXZEXADJI-MRXNPFEDSA-N 1 0 442.947 3.726 50 0 IHAARO CC[N@H+](CCCNS(=O)(=O)c1ccc2c(c1)NC(=O)C[C@H](C)S2)Cc1ccccc1 ZINC000015730932 568814386 /nfs/dbraw/zinc/81/43/86/568814386.db2.gz RVKHNKVVEVJPIU-KRWDZBQOSA-N 1 0 447.626 3.700 50 0 IHAARO Cc1cc2c(cc1S(=O)(=O)NCC[NH+]1CCC(C)CC1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000015733772 568815998 /nfs/dbraw/zinc/81/59/98/568815998.db2.gz ZEXODNMZWBBHLH-UHFFFAOYSA-N 1 0 431.602 3.642 50 0 IHAARO O=C(Nc1ccccc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1)C1=CSCCO1 ZINC000015774178 568823015 /nfs/dbraw/zinc/82/30/15/568823015.db2.gz RPSMKXNGDZPKBE-UHFFFAOYSA-N 1 0 437.565 3.624 50 0 IHAARO COc1ccc(CC[NH+]2CCC(CNC(=O)c3[nH]nc4c3CCc3ccccc3-4)CC2)cc1 ZINC000015772843 568823111 /nfs/dbraw/zinc/82/31/11/568823111.db2.gz OWOZWPQXCQBKQW-UHFFFAOYSA-N 1 0 444.579 3.868 50 0 IHAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1cc2ccc3cccnc3c2[nH]1 ZINC000085577824 568825578 /nfs/dbraw/zinc/82/55/78/568825578.db2.gz QRRSKEJPAUNFRQ-UHFFFAOYSA-N 1 0 427.552 3.654 50 0 IHAARO COc1ccc2c(c1)C[C@@H](NC(=O)NCCC[NH+]1CCC(Cc3ccccc3)CC1)CO2 ZINC000015820929 568839880 /nfs/dbraw/zinc/83/98/80/568839880.db2.gz JNYHNYPGAOOIPV-HSZRJFAPSA-N 1 0 437.584 3.643 50 0 IHAARO NC(=O)[C@@H]1CCCN(Cc2cc(Br)cc3c2O[C@@H](c2ccccc2)OC3)C1 ZINC000229703192 568886880 /nfs/dbraw/zinc/88/68/80/568886880.db2.gz KMVNPNULZZJUFA-VFNWGFHPSA-N 1 0 431.330 3.754 50 0 IHAARO Cc1nc(-n2cccc2)cc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)[nH+]1 ZINC000090607875 568890423 /nfs/dbraw/zinc/89/04/23/568890423.db2.gz UYYPJTFSEGOAQY-UHFFFAOYSA-N 1 0 430.434 3.949 50 0 IHAARO C[C@@H](C(=O)N1c2ccccc2NC(=O)C1(C)C)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000240626690 568911819 /nfs/dbraw/zinc/91/18/19/568911819.db2.gz HINGKRMEOHQUMK-LPHOPBHVSA-N 1 0 435.524 3.747 50 0 IHAARO CC[N@@H+]1CCC[C@H]1CN1CC(=O)C(c2nc(-c3ccc(OC)c(OC)c3)cs2)=C1N ZINC000245257269 568914158 /nfs/dbraw/zinc/91/41/58/568914158.db2.gz YGIADBNFBPDFDB-HNNXBMFYSA-N 1 0 428.558 3.874 50 0 IHAARO Cc1nc2cc(C(=O)NCCC[N@H+]3CCC[C@@H](C)C3)ccc2n(Cc2ccccc2)c1=O ZINC000064859443 568972429 /nfs/dbraw/zinc/97/24/29/568972429.db2.gz KTJMOOVNIYBIDG-LJQANCHMSA-N 1 0 432.568 3.605 50 0 IHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036256876 568985214 /nfs/dbraw/zinc/98/52/14/568985214.db2.gz FFZFHXXZJAAICC-ZJSXRUAMSA-N 1 0 448.696 3.506 50 0 IHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036256881 568985238 /nfs/dbraw/zinc/98/52/38/568985238.db2.gz FFZFHXXZJAAICC-XUZZJYLKSA-N 1 0 448.696 3.506 50 0 IHAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C[C@@H](O)CC ZINC000036309304 568995786 /nfs/dbraw/zinc/99/57/86/568995786.db2.gz DBTGVEJIBLUZCK-AVRDEDQJSA-N 1 0 446.613 3.744 50 0 IHAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@@H](C)O ZINC000036309409 568995953 /nfs/dbraw/zinc/99/59/53/568995953.db2.gz HOPWGRLGVUXMSR-CTNGQTDRSA-N 1 0 430.614 3.963 50 0 IHAARO Cc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@@H](C)O)CC2CC2)c1 ZINC000036309514 568996109 /nfs/dbraw/zinc/99/61/09/568996109.db2.gz XLQGADHTANDDRT-GCJKJVERSA-N 1 0 428.598 3.654 50 0 IHAARO CC(C)(O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)CC1CC1 ZINC000036310321 568996701 /nfs/dbraw/zinc/99/67/01/568996701.db2.gz GGPICERIAQICKB-OAQYLSRUSA-N 1 0 446.588 3.875 50 0 IHAARO Cc1ccccc1Cc1c(C)nc(C)nc1N1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000036340117 569078797 /nfs/dbraw/zinc/07/87/97/569078797.db2.gz YJUDIAKMCXPJJE-VWLOTQADSA-N 1 0 430.596 3.718 50 0 IHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccccc3OC)C[C@H]2c2cc(C)ccc2C)CC1 ZINC000036344672 569080283 /nfs/dbraw/zinc/08/02/83/569080283.db2.gz KXWOFYMASZJJPD-DEOSSOPVSA-N 1 0 434.584 3.627 50 0 IHAARO O=C(NCC[NH+]1CCCCCC1)c1ccc2c(c1)Sc1ncccc1C(=O)N2C1CC1 ZINC000065241496 569121003 /nfs/dbraw/zinc/12/10/03/569121003.db2.gz GSOYVCOPWOVDBY-UHFFFAOYSA-N 1 0 436.581 3.961 50 0 IHAARO Cc1cc(OCC(=O)Nc2ccc(OCC[NH+](C)C)cc2)c2c3c(c(=O)oc2c1)CCC3 ZINC000524734779 569127841 /nfs/dbraw/zinc/12/78/41/569127841.db2.gz MUTFAPBCXXZKCO-UHFFFAOYSA-N 1 0 436.508 3.548 50 0 IHAARO Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000065329748 569136989 /nfs/dbraw/zinc/13/69/89/569136989.db2.gz KPXWNYCUEJTOCU-FQEVSTJZSA-N 1 0 436.556 3.514 50 0 IHAARO Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000170598033 569142300 /nfs/dbraw/zinc/14/23/00/569142300.db2.gz CQHVHDMTEFOKNT-OAQYLSRUSA-N 1 0 431.584 3.604 50 0 IHAARO CCOc1c(Cl)cc(C(=O)N2C[C@@H](CC)[N@H+](CC(C)(C)O)C[C@H]2CC)cc1OC ZINC000170606125 569143940 /nfs/dbraw/zinc/14/39/40/569143940.db2.gz HHMJEINRTCKCGO-IAGOWNOFSA-N 1 0 426.985 3.833 50 0 IHAARO O=C(CCc1ccccc1)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000581820188 569211744 /nfs/dbraw/zinc/21/17/44/569211744.db2.gz WWQMETZCGUPINT-SANMLTNESA-N 1 0 447.623 3.982 50 0 IHAARO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000002256270 569216854 /nfs/dbraw/zinc/21/68/54/569216854.db2.gz PRFPPIFJFDAJKJ-GASCZTMLSA-N 1 0 431.533 3.668 50 0 IHAARO C[NH+](C)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Br)cc1 ZINC000002428112 569302763 /nfs/dbraw/zinc/30/27/63/569302763.db2.gz NPYWQLDQNBCNII-GOSISDBHSA-N 1 0 427.298 3.662 50 0 IHAARO COC(=O)[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@H]1c1ccc(Cl)cc1 ZINC000328593021 569317345 /nfs/dbraw/zinc/31/73/45/569317345.db2.gz JQYLKVCRNYOVOP-FCHUYYIVSA-N 1 0 426.944 3.965 50 0 IHAARO CCCc1cc(=O)oc2cc(C)cc(OCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c12 ZINC000079191627 569328155 /nfs/dbraw/zinc/32/81/55/569328155.db2.gz ZYPFZMQDZAFTQZ-VQTJNVASSA-N 1 0 426.557 3.813 50 0 biogenic IHAARO COc1cc(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)ccc1OCc1cscn1 ZINC000095463207 569370273 /nfs/dbraw/zinc/37/02/73/569370273.db2.gz GBLADRYTIJTCQP-KRWDZBQOSA-N 1 0 425.554 3.981 50 0 IHAARO CCOc1cc(C[NH2+]C[C@@H]2COC3(CCCCC3)O2)ccc1OCC(=O)N1CCCCC1 ZINC000095463775 569370438 /nfs/dbraw/zinc/37/04/38/569370438.db2.gz WZCTZZHUJXXMMY-OAQYLSRUSA-N 1 0 446.588 3.642 50 0 IHAARO CCOc1ccc(C[C@H](C[NH2+]Cc2ccccc2OC[C@H]2CCCO2)C(=O)OC)cc1 ZINC000095467747 569371232 /nfs/dbraw/zinc/37/12/32/569371232.db2.gz PJXUKEBVCJHWAX-FYYLOGMGSA-N 1 0 427.541 3.765 50 0 IHAARO O=C(C[C@H]1COc2ccccc2N1Cc1ccc(F)cc1)NCC[NH+]1CCCCCC1 ZINC000096323068 569394975 /nfs/dbraw/zinc/39/49/75/569394975.db2.gz ABCXDVNQWAOLJO-QFIPXVFZSA-N 1 0 425.548 3.976 50 0 IHAARO C[N@H+](CCNC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)C1CCC1)CC3)C1CCCCC1 ZINC000096363739 569397765 /nfs/dbraw/zinc/39/77/65/569397765.db2.gz MKYMPTQFMCCMAR-UHFFFAOYSA-N 1 0 436.600 3.847 50 0 IHAARO CCC(CC)[NH+]1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CN(C(=O)C2CCC2)CC4)CC1 ZINC000096363750 569397776 /nfs/dbraw/zinc/39/77/76/569397776.db2.gz ZNBXHJVEUFEKHT-UHFFFAOYSA-N 1 0 436.600 3.799 50 0 IHAARO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC([N@@H+]2CCc3sccc3C2)CC1 ZINC000225690198 569407116 /nfs/dbraw/zinc/40/71/16/569407116.db2.gz YHVMTGAAWRCIHP-UHFFFAOYSA-N 1 0 446.516 3.858 50 0 IHAARO CCC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)oc2C)C1 ZINC000670434332 569443262 /nfs/dbraw/zinc/44/32/62/569443262.db2.gz PMKBOQUCJKCFQX-ZDUSSCGKSA-N 1 0 435.468 3.662 50 0 IHAARO NC(=O)c1ccccc1OCc1cccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000058016907 569445028 /nfs/dbraw/zinc/44/50/28/569445028.db2.gz MQJPULOAJYNYIJ-DEOSSOPVSA-N 1 0 443.547 3.931 50 0 IHAARO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)/C=C/c2ccc3c(c2)OCO3)CC1 ZINC000058150990 569448907 /nfs/dbraw/zinc/44/89/07/569448907.db2.gz WUXGMAPRIXVLEN-HFTQHKIXSA-N 1 0 425.504 3.587 50 0 IHAARO O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000003432788 569450868 /nfs/dbraw/zinc/45/08/68/569450868.db2.gz BBXLCHHFEUJSPT-UHFFFAOYSA-N 1 0 438.568 3.966 50 0 IHAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000031338972 569456031 /nfs/dbraw/zinc/45/60/31/569456031.db2.gz XFGAAYKMSNYRQN-DEOSSOPVSA-N 1 0 441.575 3.867 50 0 IHAARO Cc1cccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@H](O)[C@H]34)CC2)c1C ZINC000059409686 569461213 /nfs/dbraw/zinc/46/12/13/569461213.db2.gz IYVNGAUMUARQSV-MIUQLTIPSA-N 1 0 438.612 3.710 50 0 biogenic IHAARO COc1c2c(c(CNC(=O)COc3cc(C)ccc3C(C)C)c3c1C[N@H+](C)CC3)OCO2 ZINC000008765268 569474727 /nfs/dbraw/zinc/47/47/27/569474727.db2.gz BHRIYBAJCAMDCF-UHFFFAOYSA-N 1 0 440.540 3.539 50 0 biogenic IHAARO Cc1ccc([C@H](NC(=O)CN2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c2cccs2)cc1 ZINC000245225232 569499548 /nfs/dbraw/zinc/49/95/48/569499548.db2.gz PXZFBPRVZMVVDZ-SMISUXHESA-N 1 0 441.641 3.836 50 0 IHAARO Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@H](C)O)C2CC2)c(C)c1 ZINC000245328736 569503957 /nfs/dbraw/zinc/50/39/57/569503957.db2.gz PEBKOSGAWPWCHE-GHTZIAJQSA-N 1 0 428.598 3.715 50 0 IHAARO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000009376827 569527406 /nfs/dbraw/zinc/52/74/06/569527406.db2.gz XIUADDOWFNJCCH-UHFFFAOYSA-N 1 0 442.025 3.509 50 0 IHAARO NC(=O)C1CC[NH+](CCOc2ccc3cc(-c4ccc(Cl)cc4)c(=O)oc3c2)CC1 ZINC000009435873 569534891 /nfs/dbraw/zinc/53/48/91/569534891.db2.gz ZRWYAQADZIDLRE-UHFFFAOYSA-N 1 0 426.900 3.690 50 0 IHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000009711847 569562063 /nfs/dbraw/zinc/56/20/63/569562063.db2.gz SPRKVBCXDRMPIL-OAQYLSRUSA-N 1 0 428.492 3.546 50 0 IHAARO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)C1CCN(C(=O)c2cc3sccc3n2C)CC1 ZINC000009847810 569571188 /nfs/dbraw/zinc/57/11/88/569571188.db2.gz PKQGZZUECBCKNX-ROUUACIJSA-N 1 0 444.645 3.861 50 0 IHAARO CC[NH+](CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@H]1c1ccc(OC)cc1 ZINC000010233212 569579588 /nfs/dbraw/zinc/57/95/88/569579588.db2.gz YRJJNARATNYEGQ-JOCHJYFZSA-N 1 0 436.508 3.697 50 0 IHAARO COc1cc(COCC2CC[NH+](CC(=O)NCc3ccccc3Cl)CC2)cc(OC)c1 ZINC000077191440 569585952 /nfs/dbraw/zinc/58/59/52/569585952.db2.gz JVFARXIYNLUSKN-UHFFFAOYSA-N 1 0 446.975 3.902 50 0 IHAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)COc2cccc3c2OC(C)(C)C3)CC1 ZINC000009353517 132314209 /nfs/dbraw/zinc/31/42/09/132314209.db2.gz SFISUZAKMQAABC-UHFFFAOYSA-N 1 0 429.948 3.823 50 0 IHAARO COc1ccc(NC(=O)c2sc3ncnc(N4CC[NH+](C)CC4)c3c2C)cc1Cl ZINC000009742522 132328095 /nfs/dbraw/zinc/32/80/95/132328095.db2.gz GSQIAQIQINSODU-UHFFFAOYSA-N 1 0 431.949 3.666 50 0 IHAARO COc1ccc(NC(=S)NCCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1Cl ZINC000009850598 132330271 /nfs/dbraw/zinc/33/02/71/132330271.db2.gz JBWWJPMGZIYNEA-UHFFFAOYSA-N 1 0 436.984 3.986 50 0 IHAARO CC(C)(C)C[NH+]1CCC(Oc2ccc(C(=O)N3CCC[C@@H](C(N)=O)C3)cc2Cl)CC1 ZINC000012297148 518663642 /nfs/dbraw/zinc/66/36/42/518663642.db2.gz ASLPPXGOHHVGER-QGZVFWFLSA-N 1 0 435.996 3.567 50 0 IHAARO CC(C)(C)c1ccc(OCCOC[C@@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000022466179 519042743 /nfs/dbraw/zinc/04/27/43/519042743.db2.gz XPIDTUQNYCBJCL-DEOSSOPVSA-N 1 0 426.601 3.558 50 0 IHAARO CC(C)Cc1nnc(C(=O)Nc2ccc(C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)cc2)s1 ZINC000033011334 519465951 /nfs/dbraw/zinc/46/59/51/519465951.db2.gz NPLRQPZATPZBEU-KRWDZBQOSA-N 1 0 443.617 3.841 50 0 IHAARO CCn1c2ccc(C(=O)NC[C@@H](c3cccc(OC)c3)[NH+](CC)CC)cc2nc(C)c1=O ZINC000022700625 520838514 /nfs/dbraw/zinc/83/85/14/520838514.db2.gz NJTZRLBTIRRTTE-QHCPKHFHSA-N 1 0 436.556 3.546 50 0 IHAARO CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1cccc(OC)c1 ZINC000022700918 520861507 /nfs/dbraw/zinc/86/15/07/520861507.db2.gz DBCOHNAFJVEPFS-CTNGQTDRSA-N 1 0 427.570 3.697 50 0 IHAARO CC[N@H+](CCCNS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)CS2)Cc1ccccc1 ZINC000015731147 521021899 /nfs/dbraw/zinc/02/18/99/521021899.db2.gz FXNYRLXZKLGKHB-KRWDZBQOSA-N 1 0 447.626 3.557 50 0 IHAARO CCCn1c(CN2CC[NH+](CC)CC2)nc2cc(NC(=O)COc3cccc(C)c3)ccc21 ZINC000020678068 521629614 /nfs/dbraw/zinc/62/96/14/521629614.db2.gz NYVLPXFWMODWMI-UHFFFAOYSA-N 1 0 449.599 3.910 50 0 IHAARO CO[C@@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2ccc3nonc3c2)CC1)c1ccccc1 ZINC000012577006 523335733 /nfs/dbraw/zinc/33/57/33/523335733.db2.gz IYPADUNBLAJCPZ-HSZRJFAPSA-N 1 0 446.511 3.583 50 0 IHAARO C[N@@H+]1CCCCC[C@H]1C(=O)N1CCC(n2nccc2NC(=O)Nc2cccc(F)c2)CC1 ZINC000012315870 523790305 /nfs/dbraw/zinc/79/03/05/523790305.db2.gz YSROQXVXIRZACE-FQEVSTJZSA-N 1 0 442.539 3.704 50 0 IHAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+]([C@H](C)Cc2ccccc2F)CC1 ZINC000012713918 523926105 /nfs/dbraw/zinc/92/61/05/523926105.db2.gz ZMJXNZYOPGNTRY-GOSISDBHSA-N 1 0 444.547 3.685 50 0 IHAARO COCCNC(=O)c1ccc(OC2CC[NH+]([C@@H](C)Cc3ccc(O)cc3)CC2)c(Cl)c1 ZINC000015076133 523926741 /nfs/dbraw/zinc/92/67/41/523926741.db2.gz NPVNGULFUJIERO-KRWDZBQOSA-N 1 0 446.975 3.896 50 0 IHAARO COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3ccc4c(c3)OCO4)C2)c(F)c1 ZINC000012281896 524038553 /nfs/dbraw/zinc/03/85/53/524038553.db2.gz HNEMRSYKXPZDLI-NQIIRXRSSA-N 1 0 426.488 3.576 50 0 IHAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3ccc4nonc4c3)C2)c(OC)c1 ZINC000012571177 524048368 /nfs/dbraw/zinc/04/83/68/524048368.db2.gz GMVZKVCEJQZJLL-KRWDZBQOSA-N 1 0 438.528 3.549 50 0 IHAARO C[NH+](C)CCCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2c(cc(F)cc2F)s1 ZINC000012141022 524053623 /nfs/dbraw/zinc/05/36/23/524053623.db2.gz LULSYDIQDTZJTK-UHFFFAOYSA-N 1 0 433.480 3.944 50 0 IHAARO CCc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CN2CC[NH+](CC)CC2)cc1 ZINC000020784663 524056648 /nfs/dbraw/zinc/05/66/48/524056648.db2.gz BGFKNALBIOFMDI-MHZLTWQESA-N 1 0 430.596 3.842 50 0 IHAARO COc1ccc(C[NH2+]Cc2cccn2-c2nnc(N3CCC(C)CC3)s2)c(OC)c1 ZINC000020576438 524073201 /nfs/dbraw/zinc/07/32/01/524073201.db2.gz UJOVWSCQXABXIP-UHFFFAOYSA-N 1 0 427.574 3.872 50 0 IHAARO Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000022804275 524122112 /nfs/dbraw/zinc/12/21/12/524122112.db2.gz RRHCEWHLJYMUMT-UHFFFAOYSA-N 1 0 443.595 3.701 50 0 IHAARO C[C@H](CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)c(Cl)c1)c1ccccc1 ZINC000035421905 524303354 /nfs/dbraw/zinc/30/33/54/524303354.db2.gz DTLIIHIPEXQZPN-QGZVFWFLSA-N 1 0 431.939 3.547 50 0 IHAARO Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000022058115 524307411 /nfs/dbraw/zinc/30/74/11/524307411.db2.gz LWXUXIDLCWPHIW-GSDHBNRESA-N 1 0 446.591 3.731 50 0 IHAARO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]3CCC[N@@H+]3[C@@]23c2cc(C)cc(C)c2NC3=O)c1 ZINC000035828148 524864460 /nfs/dbraw/zinc/86/44/60/524864460.db2.gz LLXSEQNQXCDXQL-GSQWSPMESA-N 1 0 435.524 3.591 50 0 IHAARO COc1ccc([C@H](CNC(=O)c2ccccc2OCc2cn3ccccc3n2)[NH+](C)C)cc1 ZINC000012582893 525358287 /nfs/dbraw/zinc/35/82/87/525358287.db2.gz GAWVFAVISUGDHP-QHCPKHFHSA-N 1 0 444.535 3.955 50 0 IHAARO Cc1cnc(C[NH2+][C@H]2CCc3c(sc4ncn(CCc5cccc(F)c5)c(=O)c34)C2)cn1 ZINC000020909589 526048565 /nfs/dbraw/zinc/04/85/65/526048565.db2.gz MNWXQYBDJBHOPL-SFHVURJKSA-N 1 0 449.555 3.585 50 0 IHAARO Cc1cc(-n2cccn2)ccc1C[N@@H+]1CCC[C@@H](CNC(=O)c2[nH]nc3ccccc32)C1 ZINC000012207811 526072204 /nfs/dbraw/zinc/07/22/04/526072204.db2.gz QMTKKZSNUDKKBB-IBGZPJMESA-N 1 0 428.540 3.699 50 0 IHAARO Cc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](Cc2ccc(C(C)C)cc2)CC3)cc1 ZINC000012098045 526172215 /nfs/dbraw/zinc/17/22/15/526172215.db2.gz YLEUSJNLRWTPIY-UHFFFAOYSA-N 1 0 431.584 3.741 50 0 IHAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CSc1ncc(-c2ccccc2)nn1 ZINC000012462577 526213286 /nfs/dbraw/zinc/21/32/86/526213286.db2.gz SVHHEBYMWQCPJF-KNQAVFIVSA-N 1 0 431.565 3.774 50 0 IHAARO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022919005 526216269 /nfs/dbraw/zinc/21/62/69/526216269.db2.gz HFJCJAQVBAABFY-FQEVSTJZSA-N 1 0 442.563 3.721 50 0 IHAARO O=C(NCCc1ccccn1)[C@@H]1CC12CC[NH+](Cc1ccc(Oc3ncccn3)cc1)CC2 ZINC000012149527 526433274 /nfs/dbraw/zinc/43/32/74/526433274.db2.gz GBFZMKRESOWEKO-QHCPKHFHSA-N 1 0 443.551 3.625 50 0 IHAARO O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000012875626 526581101 /nfs/dbraw/zinc/58/11/01/526581101.db2.gz ULDJZODPCCYPEU-HYBUGGRVSA-N 1 0 431.536 3.663 50 0 IHAARO O=C(c1n[nH]c2c1CCC2)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012437667 526911953 /nfs/dbraw/zinc/91/19/53/526911953.db2.gz FUNNFBTXRCWBNB-HXUWFJFHSA-N 1 0 440.563 3.571 50 0 IHAARO O=S(=O)(Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)c1ccc(Cl)cc1 ZINC000035598042 527247732 /nfs/dbraw/zinc/24/77/32/527247732.db2.gz QJBAJRJDSYJPPZ-UHFFFAOYSA-N 1 0 442.972 3.858 50 0 IHAARO O=C(Cn1cccn1)N1CCC[C@H](COc2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)C1 ZINC000012207171 527387148 /nfs/dbraw/zinc/38/71/48/527387148.db2.gz RMWXLZXGRBAZJR-QHCPKHFHSA-N 1 0 444.579 3.759 50 0 IHAARO O=c1c2c(ncn1C1Cc3ccccc3C1)sc1c2CC[C@H]([NH2+]CCc2cccnc2)C1 ZINC000012217518 527456072 /nfs/dbraw/zinc/45/60/72/527456072.db2.gz MPSOFFFFJDSBLP-FQEVSTJZSA-N 1 0 442.588 3.883 50 0 IHAARO O=c1cc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)nc2ccc(Br)cn12 ZINC000012567478 527476873 /nfs/dbraw/zinc/47/68/73/527476873.db2.gz CGFCZLKHVCWCMD-KRWDZBQOSA-N 1 0 442.313 3.565 50 0 IHAARO Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]Cc1cc(-c3ccccc3)on1)C2 ZINC000014733413 527540557 /nfs/dbraw/zinc/54/05/57/527540557.db2.gz PSAYSFSOWDCFJD-IBGZPJMESA-N 1 0 433.556 3.738 50 0 IHAARO Cn1ncc2c1nc(N1CC[NH+](C3CCCCC3)CC1)nc2NCCc1cccs1 ZINC000021930279 527581644 /nfs/dbraw/zinc/58/16/44/527581644.db2.gz VEJHUDGGCMXHJC-UHFFFAOYSA-N 1 0 425.606 3.534 50 0 IHAARO CCCC[N@H+](C)CCCNC(=O)CN1C(=O)/C(=C\c2cccc(F)c2)Oc2ccccc21 ZINC000003057048 535217602 /nfs/dbraw/zinc/21/76/02/535217602.db2.gz MUDSDZNSBWJXFY-HAVVHWLPSA-N 1 0 439.531 3.830 50 0 IHAARO COc1ccc2c(c1)c(C1=C(c3c[nH]c4ccccc43)C(=O)NC1=O)cn2CCC[NH+](C)C ZINC000002526562 555785875 /nfs/dbraw/zinc/78/58/75/555785875.db2.gz LLJJDLHGZUOMQP-UHFFFAOYSA-N 1 0 442.519 3.650 50 0 in-vitro IHAARO O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccco2)cc1)NCC[NH+]1CCCC1 ZINC000034679796 555790359 /nfs/dbraw/zinc/79/03/59/555790359.db2.gz OHAJCCADAQQKOH-UHFFFAOYSA-N 1 0 431.536 3.881 50 0 IHAARO O[C@]1(c2ccc(OC(F)F)cc2)CN2CCCCCC2=[N+]1c1ccc2c(c1)OCCO2 ZINC000004528729 555999576 /nfs/dbraw/zinc/99/95/76/555999576.db2.gz BPFACMBHTCRBEH-QHCPKHFHSA-N 1 0 431.459 3.710 50 0 IHAARO Cc1cc(O[C@H](C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c2c3c(c(=O)oc2c1)CCC3 ZINC000005246189 556039584 /nfs/dbraw/zinc/03/95/84/556039584.db2.gz RWWMFOMLJZFXKP-OAHLLOKOSA-N 1 0 426.557 3.783 50 0 IHAARO CC[C@@H](CO)[NH2+]Cc1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000008437919 556173901 /nfs/dbraw/zinc/17/39/01/556173901.db2.gz TUKANFPNYZAMKT-INIZCTEOSA-N 1 0 426.435 3.592 50 0 IHAARO CCc1ccc([C@H](CNC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)[NH+](C)C)cc1 ZINC000032734050 556305538 /nfs/dbraw/zinc/30/55/38/556305538.db2.gz GJAROOXLKXSQPM-GMAHTHKFSA-N 1 0 425.548 3.659 50 0 IHAARO Cc1cc(C)c(NC(=O)CSc2nc3ccccc3c(=O)n2CC[NH+](C)C)c(Cl)c1 ZINC000032747192 556315565 /nfs/dbraw/zinc/31/55/65/556315565.db2.gz XXUAGTMDWYJPIK-UHFFFAOYSA-N 1 0 444.988 3.959 50 0 IHAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3cccc4c3OCO4)CC2)c1 ZINC000011661218 556343030 /nfs/dbraw/zinc/34/30/30/556343030.db2.gz YYFUJJVWTKVPRW-UHFFFAOYSA-N 1 0 438.524 3.703 50 0 IHAARO O=C(c1cc(C2CC2)n[nH]1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000011664632 556345351 /nfs/dbraw/zinc/34/53/51/556345351.db2.gz PIXRCOIQWFPHRD-DEOSSOPVSA-N 1 0 448.611 3.788 50 0 IHAARO C[N@@H+]1CCC[C@@H](C(=O)N2CCC(n3nccc3NC(=O)Nc3ccccc3Cl)CC2)C1 ZINC000011816412 556359136 /nfs/dbraw/zinc/35/91/36/556359136.db2.gz QEMRMHSYTPMXOA-MRXNPFEDSA-N 1 0 444.967 3.686 50 0 IHAARO Cc1ccc2occ(C[N@@H+]3CCC[C@H](CNC(=O)c4[nH]nc5ccccc54)C3)c(=O)c2c1 ZINC000011819271 556360866 /nfs/dbraw/zinc/36/08/66/556360866.db2.gz JTBZNAODSHWJSR-QGZVFWFLSA-N 1 0 430.508 3.620 50 0 IHAARO COc1ccc2c(c1)C=C([C@@H]1C[C@H]3CN(CCc4ccccc4)C(=O)[C@]34CCC[N@H+]14)CO2 ZINC000011843030 556366354 /nfs/dbraw/zinc/36/63/54/556366354.db2.gz MYKDAKUACWNMOS-DPPGTGKWSA-N 1 0 430.548 3.779 50 0 IHAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](CC2=CC[C@H]3C[C@@H]2C3(C)C)CC1 ZINC000011879121 556371759 /nfs/dbraw/zinc/37/17/59/556371759.db2.gz KEXRVOOCYCXZQR-CVDCTZTESA-N 1 0 442.600 3.907 50 0 IHAARO CC[C@H](O)C1CCN(C(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)CC1 ZINC000011937125 556379085 /nfs/dbraw/zinc/37/90/85/556379085.db2.gz ANPWNWZIXYMHEQ-VWLOTQADSA-N 1 0 437.584 3.748 50 0 IHAARO C[C@@H](Oc1ccccc1)C(=O)NC[C@@H]1CCC2(CC[NH+](Cc3ccccc3F)CC2)O1 ZINC000011964766 556381476 /nfs/dbraw/zinc/38/14/76/556381476.db2.gz BHJYHDZBNCPCRF-KNQAVFIVSA-N 1 0 426.532 3.923 50 0 IHAARO CC[C@H](C)C(=O)NCc1nnc2n1CC[N@@H+](Cc1ccc(-c3ccccc3C)cc1)CC2 ZINC000011983223 556383437 /nfs/dbraw/zinc/38/34/37/556383437.db2.gz NYQASJGHEVZOMJ-IBGZPJMESA-N 1 0 431.584 3.974 50 0 IHAARO CCOC(=O)N1CCC(NC(=O)[C@@H]2CC23CC[NH+](Cc2cc4ccccc4[nH]2)CC3)CC1 ZINC000011997015 556384192 /nfs/dbraw/zinc/38/41/92/556384192.db2.gz WLEKBGZHVIZRQJ-NRFANRHFSA-N 1 0 438.572 3.507 50 0 IHAARO CC(C)[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccc2c(c1)OCCO2 ZINC000014186180 556386079 /nfs/dbraw/zinc/38/60/79/556386079.db2.gz QIMLBAXRNPUCGI-JOCHJYFZSA-N 1 0 441.919 3.617 50 0 IHAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CCOc4ccccc4)C3)C2)c1OC ZINC000012023716 556387527 /nfs/dbraw/zinc/38/75/27/556387527.db2.gz YMQKOGKZLHKZLM-AREMUKBSSA-N 1 0 438.568 3.987 50 0 IHAARO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000012089955 556401999 /nfs/dbraw/zinc/40/19/99/556401999.db2.gz OZMHVWYHDNHRTQ-UHFFFAOYSA-N 1 0 425.525 3.854 50 0 IHAARO CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000032674834 556415502 /nfs/dbraw/zinc/41/55/02/556415502.db2.gz DWTGYUIJOCFICN-NJSNPTHGSA-N 1 0 437.628 3.734 50 0 IHAARO CCc1ccc(C[NH+]2CCC3(CC2)C(=O)N(CCOC)C(=O)N3Cc2ccccc2)cc1 ZINC000014532295 556420994 /nfs/dbraw/zinc/42/09/94/556420994.db2.gz XEQZSVUTRXNIAB-UHFFFAOYSA-N 1 0 435.568 3.694 50 0 IHAARO CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](C/C=C/c1ccccc1)CC2 ZINC000014533808 556422234 /nfs/dbraw/zinc/42/22/34/556422234.db2.gz MKPLPYADRKPIDB-KPKJPENVSA-N 1 0 432.568 3.846 50 0 IHAARO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000012986766 556427333 /nfs/dbraw/zinc/42/73/33/556427333.db2.gz GYYGSIPXACFLGY-KRWDZBQOSA-N 1 0 425.554 3.688 50 0 IHAARO C[N@H+](CCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)Cc1ccccc1 ZINC000032841720 556427394 /nfs/dbraw/zinc/42/73/94/556427394.db2.gz FPMQFQGYHQHFAV-NRFANRHFSA-N 1 0 427.976 3.831 50 0 IHAARO CN1C(=O)N(Cc2ccccc2)C2(CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)C1=O ZINC000014742315 556438974 /nfs/dbraw/zinc/43/89/74/556438974.db2.gz HUZXPCCEQSXPMQ-UHFFFAOYSA-N 1 0 429.524 3.506 50 0 IHAARO C[C@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCC2(CC1)C(=O)N(C)C(=O)N2Cc1ccccc1 ZINC000014743610 556439746 /nfs/dbraw/zinc/43/97/46/556439746.db2.gz LYTIHONHMBMDAJ-LJQANCHMSA-N 1 0 449.551 3.523 50 0 IHAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H]([NH2+]Cc1ccccc1C(F)(F)F)CC2 ZINC000014744402 556440360 /nfs/dbraw/zinc/44/03/60/556440360.db2.gz UARATEBPQGKUCI-MRXNPFEDSA-N 1 0 446.473 3.951 50 0 IHAARO COc1ccc2ccccc2c1C[NH2+][C@@H]1CCc2c(c(C(=O)N3CCCCC3)nn2C)C1 ZINC000014744395 556440439 /nfs/dbraw/zinc/44/04/39/556440439.db2.gz JEJXSOHTWDEFPG-LJQANCHMSA-N 1 0 432.568 3.855 50 0 IHAARO C[NH+]1CCC(NC(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CCC4)c2C2CC2)CC1 ZINC000014879768 556453226 /nfs/dbraw/zinc/45/32/26/556453226.db2.gz ROUIYOZGDDGQAI-UHFFFAOYSA-N 1 0 442.567 3.519 50 0 IHAARO COc1cccc([C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c2nccn2C)c1 ZINC000028391264 556453465 /nfs/dbraw/zinc/45/34/65/556453465.db2.gz HIKBENFUAUGLFF-QHCPKHFHSA-N 1 0 433.556 3.613 50 0 IHAARO O=c1c2c(ncn1Cc1ccccc1F)sc1c2CC[C@H]([NH2+]CCc2cccnc2)C1 ZINC000014981237 556470941 /nfs/dbraw/zinc/47/09/41/556470941.db2.gz OWKKHXTXBPIQQG-SFHVURJKSA-N 1 0 434.540 3.730 50 0 IHAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3cnc(N(C)C)s3)C2)c(OC)c1 ZINC000014981366 556470951 /nfs/dbraw/zinc/47/09/51/556470951.db2.gz YCKHEYLPZRZNLJ-KRWDZBQOSA-N 1 0 446.617 3.535 50 0 IHAARO C[NH+](C)CCNC(=O)[C@@H]1C[C@H](Sc2ccc(F)cc2)CN1Cc1cccc(Cl)c1 ZINC000014993830 556476580 /nfs/dbraw/zinc/47/65/80/556476580.db2.gz APHMTVDLDDPSGS-SFTDATJTSA-N 1 0 435.996 3.892 50 0 IHAARO O=c1c2c(ncn1Cc1ccc(F)cc1)sc1c2CC[C@H]([NH2+]CCc2cccnc2)C1 ZINC000015002893 556480394 /nfs/dbraw/zinc/48/03/94/556480394.db2.gz PNKWWEZWKLROFY-IBGZPJMESA-N 1 0 434.540 3.730 50 0 IHAARO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000072289634 556484251 /nfs/dbraw/zinc/48/42/51/556484251.db2.gz MNONSUIXZSLUGE-FXAWDEMLSA-N 1 0 440.554 3.643 50 0 IHAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CCn3c(CO)nc4ccccc43)C2)cc1 ZINC000015062918 556491041 /nfs/dbraw/zinc/49/10/41/556491041.db2.gz CRMDLQOFKYQQSF-QHCPKHFHSA-N 1 0 448.611 3.898 50 0 IHAARO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)Cc3ccc(SC)cc3)C2)CC1 ZINC000015073128 556497323 /nfs/dbraw/zinc/49/73/23/556497323.db2.gz SUOCSXPLHYQSAP-OAQYLSRUSA-N 1 0 439.625 3.773 50 0 IHAARO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCC([C@H](C)[NH+]2CCOCC2)CC1 ZINC000015077725 556499942 /nfs/dbraw/zinc/49/99/42/556499942.db2.gz RNLMYWQICYBEFT-HNNXBMFYSA-N 1 0 447.963 3.965 50 0 IHAARO Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3ccc(C[NH+](C)C)cc3)cc2)cc1 ZINC000015140290 556506195 /nfs/dbraw/zinc/50/61/95/556506195.db2.gz MEWISSBWDGQEOC-UHFFFAOYSA-N 1 0 437.565 3.787 50 0 IHAARO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(NC(=O)c4ccco4)cc3)CC2)cc1 ZINC000032879993 556507924 /nfs/dbraw/zinc/50/79/24/556507924.db2.gz XDUVZRQRFVIEIX-UHFFFAOYSA-N 1 0 433.508 3.889 50 0 IHAARO CC1(C)CC(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CC(C)(C)[NH2+]1 ZINC000030898124 556514998 /nfs/dbraw/zinc/51/49/98/556514998.db2.gz ICBKQYWGKWDLCJ-QFIPXVFZSA-N 1 0 437.584 3.950 50 0 IHAARO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](C(C)C)[NH2+][C@]23C(=O)Nc2c3cccc2Cl)c1 ZINC000013592325 556530403 /nfs/dbraw/zinc/53/04/03/556530403.db2.gz FWLWZNRQCPFTRS-YAEBDLLGSA-N 1 0 443.931 3.777 50 0 IHAARO CCOC(=O)C1CC[NH+](C[C@H](O)COc2ccc3cc(Br)ccc3c2)CC1 ZINC000015879597 556560641 /nfs/dbraw/zinc/56/06/41/556560641.db2.gz AQDFFXPXIYYFSL-IBGZPJMESA-N 1 0 436.346 3.617 50 0 IHAARO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000016001813 556572764 /nfs/dbraw/zinc/57/27/64/556572764.db2.gz WFAMEJVXXNEJOG-YMGHSFPGSA-N 1 0 449.938 3.696 50 0 IHAARO CC(C)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]21 ZINC000016010421 556573940 /nfs/dbraw/zinc/57/39/40/556573940.db2.gz RKWRQWSKJNYACK-ORGXJRBJSA-N 1 0 444.318 3.574 50 0 IHAARO O[C@@H](COc1ccc(F)cc1)C[NH+](Cc1ccccc1)C[C@@H](O)COc1ccc(F)cc1 ZINC000002075169 556574812 /nfs/dbraw/zinc/57/48/12/556574812.db2.gz WXLXXHNBLHFYHB-DHIUTWEWSA-N 1 0 443.490 3.647 50 0 IHAARO O[C@@H](COCc1ccccc1Cl)C[N@H+](CCCN1CCOCC1)Cc1cccs1 ZINC000016043576 556578419 /nfs/dbraw/zinc/57/84/19/556578419.db2.gz WFSYPFPGNPDUTF-HXUWFJFHSA-N 1 0 439.021 3.504 50 0 IHAARO O=C(NCCC[NH+]1CCCC1)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)O2 ZINC000032984004 556603187 /nfs/dbraw/zinc/60/31/87/556603187.db2.gz GENIKXIHBCKSSI-KGENOOAVSA-N 1 0 425.916 3.928 50 0 IHAARO COc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OCc1ccc2c(c1)n(C)c(=O)n2C ZINC000016363963 556603401 /nfs/dbraw/zinc/60/34/01/556603401.db2.gz MLHQSVYKKYIXPB-UHFFFAOYSA-N 1 0 449.526 3.936 50 0 IHAARO COc1cc(OC)cc([C@@H](CC(=O)NCC[NH+]2CCCC2)c2cn(C)c3ccccc23)c1 ZINC000033713881 556625802 /nfs/dbraw/zinc/62/58/02/556625802.db2.gz DUPZTOIUFROGMW-HSZRJFAPSA-N 1 0 435.568 3.930 50 0 IHAARO COc1ccccc1/C=[N+]1/NC(=O)[C@H](NC(=O)c2cccc(C)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000033747003 556629831 /nfs/dbraw/zinc/62/98/31/556629831.db2.gz MYVQODHDBOYLTR-GMUDSQLASA-O 1 0 448.930 3.673 50 0 IHAARO CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000032999426 556653019 /nfs/dbraw/zinc/65/30/19/556653019.db2.gz GOPNTBMHETXBOT-UHFFFAOYSA-N 1 0 443.613 3.941 50 0 IHAARO Cc1nc2ccccc2n(Cc2ccc(C(=O)NCCC[N@H+]3CCC[C@H](C)C3)cc2)c1=O ZINC000033005909 556655228 /nfs/dbraw/zinc/65/52/28/556655228.db2.gz AYQCSTMKUAQYPQ-IBGZPJMESA-N 1 0 432.568 3.605 50 0 IHAARO CCCCOc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2ccc(C)cc2)cc1 ZINC000045966606 556688725 /nfs/dbraw/zinc/68/87/25/556688725.db2.gz KDATYKQUFBPTQU-UHFFFAOYSA-N 1 0 437.584 3.638 50 0 IHAARO CCOC(=O)c1sc(NC(=O)C[NH+](CC(C)C)CC(C)C)c(C(=O)OCC)c1C ZINC000005214672 556739941 /nfs/dbraw/zinc/73/99/41/556739941.db2.gz QJZZVSALRPWXQX-UHFFFAOYSA-N 1 0 426.579 3.962 50 0 IHAARO CCC[NH+]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cc(OC)ccc2OC)CC1 ZINC000058140741 556761108 /nfs/dbraw/zinc/76/11/08/556761108.db2.gz FSVINODPFWGZJC-UHFFFAOYSA-N 1 0 434.540 3.724 50 0 IHAARO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2ccc(C(=O)NC)cc2C)CC1 ZINC000058357006 556782757 /nfs/dbraw/zinc/78/27/57/556782757.db2.gz GZGLZCSNNLQDKQ-QGZVFWFLSA-N 1 0 441.551 3.518 50 0 IHAARO CN(C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000058440050 556788608 /nfs/dbraw/zinc/78/86/08/556788608.db2.gz SSZWURJPJXWKJU-JOCHJYFZSA-N 1 0 444.417 3.875 50 0 IHAARO CC[NH+](CC)CCNC(=O)c1ccc2ccnc(N3CCN(c4ccccc4)CC3)c2c1 ZINC000064473399 556824470 /nfs/dbraw/zinc/82/44/70/556824470.db2.gz DDXPENWZUPSBHE-UHFFFAOYSA-N 1 0 431.584 3.633 50 0 IHAARO COc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3cccc(-n4cccn4)c3)C2)CC1 ZINC000019837433 556928477 /nfs/dbraw/zinc/92/84/77/556928477.db2.gz AZWGTWNJOKAOTG-DEOSSOPVSA-N 1 0 431.584 3.668 50 0 IHAARO O[C@H](COCc1ccco1)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146650 556994002 /nfs/dbraw/zinc/99/40/02/556994002.db2.gz WDTGGJSRMKQODF-UNMCSNQZSA-N 1 0 438.499 3.992 50 0 IHAARO Cc1cc(O)c([C@H](c2cccc(Cl)c2)N2CC[NH+](C)CC2)c(=O)n1Cc1ccccc1 ZINC000023086395 556997310 /nfs/dbraw/zinc/99/73/10/556997310.db2.gz UVNOXGJCTANMOV-DEOSSOPVSA-N 1 0 437.971 3.901 50 0 IHAARO C[NH+]1CCN(c2ccc(NC(=O)CCCOc3ccc(Br)cc3)cc2)CC1 ZINC000023134161 557066732 /nfs/dbraw/zinc/06/67/32/557066732.db2.gz IREXZQRBLKTUDT-UHFFFAOYSA-N 1 0 432.362 3.999 50 0 IHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2cccc(CS(C)(=O)=O)c2)C1 ZINC000048340001 557070095 /nfs/dbraw/zinc/07/00/95/557070095.db2.gz OLARBZWORBYQPL-KDURUIRLSA-N 1 0 428.598 3.639 50 0 IHAARO CC(C)[NH+]1CCC(N2CCN(Cc3ccc(OC4CCCC4)cc3)C[C@@H]2CCO)CC1 ZINC000023358926 557087364 /nfs/dbraw/zinc/08/73/64/557087364.db2.gz ZAFFDEJQLXOYHV-DEOSSOPVSA-N 1 0 429.649 3.749 50 0 IHAARO OCC[C@H]1CN(Cc2ccc(Oc3ncccn3)cc2)CC[N@@H+]1CCCc1ccccc1 ZINC000023359005 557087506 /nfs/dbraw/zinc/08/75/06/557087506.db2.gz MHSVUFCHHQPMTI-DEOSSOPVSA-N 1 0 432.568 3.770 50 0 IHAARO Cc1ccc(C)c(Sc2cc(N3CCC(C(=O)NCC[NH+]4CCCC4)CC3)ncn2)c1 ZINC000049402028 557097396 /nfs/dbraw/zinc/09/73/96/557097396.db2.gz ORONHENALKNTLH-UHFFFAOYSA-N 1 0 439.629 3.673 50 0 IHAARO Cc1sc2nc(CN3CCOCC3)nc(N[C@@H](C[NH+](C)C)c3ccccc3)c2c1C ZINC000023936933 557126798 /nfs/dbraw/zinc/12/67/98/557126798.db2.gz TXWAGWFRAIUVLI-IBGZPJMESA-N 1 0 425.602 3.855 50 0 IHAARO COc1ccc([C@@H](CNC(=O)CCc2nc(-c3ccc(C)cc3)no2)[NH+]2CCCC2)cc1 ZINC000017911894 557128323 /nfs/dbraw/zinc/12/83/23/557128323.db2.gz AUMVAORDQWBZJW-JOCHJYFZSA-N 1 0 434.540 3.940 50 0 IHAARO COc1ccccc1[C@@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1CCC[NH+](C)C ZINC000011614682 557211166 /nfs/dbraw/zinc/21/11/66/557211166.db2.gz ATGZLBBBNOPAFG-HXUWFJFHSA-N 1 0 426.900 3.952 50 0 IHAARO O[C@H](COCc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000025664398 557220735 /nfs/dbraw/zinc/22/07/35/557220735.db2.gz VEXOBJRUMPTMPY-MSOLQXFVSA-N 1 0 426.538 3.782 50 0 IHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000027335735 557260360 /nfs/dbraw/zinc/26/03/60/557260360.db2.gz PAOHINXOAMFVOV-FQEVSTJZSA-N 1 0 425.916 3.710 50 0 IHAARO Cc1ccnn1CCC(=O)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000014971447 557266587 /nfs/dbraw/zinc/26/65/87/557266587.db2.gz UUKRETOUTBWGNO-HSZRJFAPSA-N 1 0 442.579 3.641 50 0 IHAARO CN1c2ccccc2[C@@]2(Nc3ccccc3C(=O)N2C[C@@H](c2cccs2)[NH+](C)C)C1=O ZINC000101643054 557292120 /nfs/dbraw/zinc/29/21/20/557292120.db2.gz CJWHWJASGPDMJK-RDPSFJRHSA-N 1 0 432.549 3.748 50 0 IHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)NC(=O)[C@@H](N2CCCCC2)S3)C1 ZINC000102045295 557309213 /nfs/dbraw/zinc/30/92/13/557309213.db2.gz IDTSOTQCVWNYBM-GGUMNFRJSA-N 1 0 444.645 3.641 50 0 IHAARO COc1ccc([C@H](CNC(=O)c2ccc3c(c2)NC(=O)CCS3)[NH+]2CCCC2)cc1 ZINC000014183860 557314231 /nfs/dbraw/zinc/31/42/31/557314231.db2.gz YPTMPCVKZYUYOE-FQEVSTJZSA-N 1 0 425.554 3.696 50 0 IHAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CC1CCN(C(=O)c2[nH]c(C)c(C)c2C)CC1 ZINC000033024415 557321270 /nfs/dbraw/zinc/32/12/70/557321270.db2.gz RCGHDEMPSRDLJK-JOCHJYFZSA-N 1 0 430.637 3.953 50 0 IHAARO COc1cccc2c(O)c(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)cnc12 ZINC000257198868 557395441 /nfs/dbraw/zinc/39/54/41/557395441.db2.gz KLBWCGJSKVOXMZ-KUIWHINRSA-N 1 0 433.552 3.984 50 0 IHAARO O=C(NCc1ccccc1)[C@H]1Cc2ccccc2N2CC[N@H+](CCc3ccccc3)C[C@H]12 ZINC000104915991 557464768 /nfs/dbraw/zinc/46/47/68/557464768.db2.gz JFFQKHVYNGGCSQ-AHKZPQOWSA-N 1 0 425.576 3.909 50 0 IHAARO Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@H](C)O)C2CC2)c(C)c1 ZINC000105003921 557471146 /nfs/dbraw/zinc/47/11/46/557471146.db2.gz PEBKOSGAWPWCHE-RXVVDRJESA-N 1 0 428.598 3.715 50 0 IHAARO Cc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](CC(C)C)C[C@H](C)O ZINC000105004203 557471164 /nfs/dbraw/zinc/47/11/64/557471164.db2.gz VEJMHTJVNLMTDS-PZJWPPBQSA-N 1 0 430.614 3.900 50 0 IHAARO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000106535187 557529757 /nfs/dbraw/zinc/52/97/57/557529757.db2.gz UOUDTJKJGXFWJA-GBWYYYKWSA-N 1 0 449.938 3.696 50 0 IHAARO C[N@H+](CC1CC1)C[C@@H]1CCN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)C1 ZINC000106922620 557533515 /nfs/dbraw/zinc/53/35/15/557533515.db2.gz NVRMVWKLVWAEII-AZUAARDMSA-N 1 0 426.586 3.683 50 0 IHAARO Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]Cc2cnc(C)cn2)C4)cc1 ZINC000014999369 557841289 /nfs/dbraw/zinc/84/12/89/557841289.db2.gz VXAFNRKBQFMKGN-SFHVURJKSA-N 1 0 431.565 3.560 50 0 IHAARO CCc1ccc(-c2nc(C[S@@](=O)CC(=O)NCCC[NH+]3CCC(C)CC3)c(C)o2)cc1 ZINC000008878419 562965687 /nfs/dbraw/zinc/96/56/87/562965687.db2.gz MWUQFOCZXKPSSG-HKBQPEDESA-N 1 0 445.629 3.699 50 0 IHAARO Cc1c(C)c(=O)oc2cc(O[C@@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc12 ZINC000009187400 562967986 /nfs/dbraw/zinc/96/79/86/562967986.db2.gz YCHZXHRQRLSWIZ-IBGZPJMESA-N 1 0 434.536 3.958 50 0 IHAARO C[NH+](C)CCCn1c2c(c(SCC(=O)Nc3cccc4ccccc43)nc1=O)CCC2 ZINC000009745894 562976526 /nfs/dbraw/zinc/97/65/26/562976526.db2.gz KCDJJGBVIBDGQQ-UHFFFAOYSA-N 1 0 436.581 3.568 50 0 IHAARO CCn1c2ccccc2c2cc(C[NH2+][C@@H]3C[C@@H](C(=O)NCCOC)N(C(C)C)C3)ccc21 ZINC000023374100 568613898 /nfs/dbraw/zinc/61/38/98/568613898.db2.gz GMIJNUDJMOYNFJ-NLFFAJNJSA-N 1 0 436.600 3.518 50 0 IHAARO COc1cccc(C[N@H+](C[C@H](O)COC(C)C)C[C@H]2CC(c3ccccc3F)=NO2)c1 ZINC000104983496 568623885 /nfs/dbraw/zinc/62/38/85/568623885.db2.gz ROOVOJIONBWZSN-PZJWPPBQSA-N 1 0 430.520 3.615 50 0 IHAARO Cn1c(SCc2ccncc2)nnc1C1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000299783586 568757224 /nfs/dbraw/zinc/75/72/24/568757224.db2.gz VVJRBITXRJYLFC-UHFFFAOYSA-N 1 0 437.569 3.653 50 0 IHAARO CCCOc1ccc(CN(CCC[NH+](C)C)C(=O)[C@H](C)n2nc(C)cc2C)cc1OC ZINC000084758596 568801127 /nfs/dbraw/zinc/80/11/27/568801127.db2.gz WBIBTAUXBFGMBL-FQEVSTJZSA-N 1 0 430.593 3.839 50 0 IHAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2cccn2-c2nnc(N3CCCCCC3)s2)C1 ZINC000015671820 568802799 /nfs/dbraw/zinc/80/27/99/568802799.db2.gz UWBBTJWOEBRWNX-GOSISDBHSA-N 1 0 430.622 3.561 50 0 IHAARO Cc1ccc(-n2ncc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2C2CC[NH2+]CC2)cc1 ZINC000015772737 568822905 /nfs/dbraw/zinc/82/29/05/568822905.db2.gz LPQQHYTTZFGDOF-UHFFFAOYSA-N 1 0 447.558 3.749 50 0 IHAARO CCOc1ccc(CN2CCc3nc(Nc4ccc5c(c4)OCO5)ncc3C2)cc1OC ZINC000015779142 568824659 /nfs/dbraw/zinc/82/46/59/568824659.db2.gz FTCGPOIQEDCLGR-UHFFFAOYSA-N 1 0 434.496 3.915 50 0 IHAARO COc1ccc(OC)c(Nc2ncc3c(n2)CCN(Cc2ccc(OC)cc2OC)C3)c1 ZINC000015779065 568824725 /nfs/dbraw/zinc/82/47/25/568824725.db2.gz UHMLLSCNAXLWKT-UHFFFAOYSA-N 1 0 436.512 3.813 50 0 IHAARO C[NH+](C)CCCNc1ccc2c3c1cccc3C(=O)N(CCc1ccc3c(c1)OCO3)C2=O ZINC000526061651 568851147 /nfs/dbraw/zinc/85/11/47/568851147.db2.gz ACOYDEZACFFCPN-UHFFFAOYSA-N 1 0 445.519 3.771 50 0 IHAARO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H](CC(C)C)[NH2+][C@@]23C(=O)Nc2ccc(C)cc23)cc1 ZINC000016026657 568864687 /nfs/dbraw/zinc/86/46/87/568864687.db2.gz VORDSJCBYIFJSS-BNIKKZEQSA-N 1 0 449.551 3.982 50 0 IHAARO Cc1nc(-n2cccc2)cc(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)[nH+]1 ZINC000090607831 568890412 /nfs/dbraw/zinc/89/04/12/568890412.db2.gz JZDMKXREUGRSCE-UHFFFAOYSA-N 1 0 446.338 3.610 50 0 IHAARO CCN(CC)C(=O)C[N@@H+]1CCCN(c2ncnc3scc(-c4ccc(F)cc4)c32)CC1 ZINC000013013159 568901444 /nfs/dbraw/zinc/90/14/44/568901444.db2.gz AWQQXKNVWGIWOF-UHFFFAOYSA-N 1 0 441.576 3.878 50 0 IHAARO COc1ccc2[nH]cc(CC[NH2+]C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@H](O)[C@H]34)c2c1 ZINC000001820058 568915587 /nfs/dbraw/zinc/91/55/87/568915587.db2.gz BJRTZLZJYHGJHK-FKFVAWLLSA-N 1 0 438.568 3.594 50 0 biogenic IHAARO Cc1ccc(-c2nc3cnccn3c2NCCC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000064758589 568951540 /nfs/dbraw/zinc/95/15/40/568951540.db2.gz BMNCWKNQHQXBIM-UHFFFAOYSA-N 1 0 446.599 3.984 50 0 IHAARO O[C@@H](COCc1ccccc1)C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1ccco1 ZINC000036147384 568962533 /nfs/dbraw/zinc/96/25/33/568962533.db2.gz CACSYLKMKUVIIP-JOCHJYFZSA-N 1 0 433.508 3.952 50 0 IHAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](C)O ZINC000036306023 568995443 /nfs/dbraw/zinc/99/54/43/568995443.db2.gz NWYDEUCEFLAJGX-GOSISDBHSA-N 1 0 425.529 3.717 50 0 IHAARO Cc1nc(C)c(Cc2ccccc2F)c(N2CC[NH+](C[C@H](O)Cc3ccccc3)CC2)n1 ZINC000036340368 569078814 /nfs/dbraw/zinc/07/88/14/569078814.db2.gz YVVPAWNERUNHQA-HSZRJFAPSA-N 1 0 434.559 3.549 50 0 IHAARO Cc1nc(C)c(Cc2cccc(F)c2)c(N2CC[NH+](C[C@@H](O)Cc3ccccc3)CC2)n1 ZINC000036340171 569078817 /nfs/dbraw/zinc/07/88/17/569078817.db2.gz HGWYWHHXQADGRP-DEOSSOPVSA-N 1 0 434.559 3.549 50 0 IHAARO CCc1nc(C)nc(N2CC[NH+](C[C@@H](O)Cc3ccccc3)CC2)c1Cc1cccc(C)c1 ZINC000036340673 569078925 /nfs/dbraw/zinc/07/89/25/569078925.db2.gz DIURFOHAYJEJSD-VWLOTQADSA-N 1 0 444.623 3.972 50 0 IHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2ccc(OC)cc2)CC1 ZINC000036341173 569079095 /nfs/dbraw/zinc/07/90/95/569079095.db2.gz VJIZMASMJIPKMT-HSZRJFAPSA-N 1 0 440.975 3.664 50 0 IHAARO CC(C)c1cc(N2CCCC2)nc(SCc2cccc(C(=O)NCC[NH+](C)C)c2)n1 ZINC000006869083 569092858 /nfs/dbraw/zinc/09/28/58/569092858.db2.gz VLPXTVCHGMUBHU-UHFFFAOYSA-N 1 0 427.618 3.784 50 0 IHAARO CCCNc1cc(N2CCC[C@H](CCC(=O)N3CCC[C@@H](C[NH+]4CCCC4)C3)C2)ncn1 ZINC000169783608 569104212 /nfs/dbraw/zinc/10/42/12/569104212.db2.gz SPEMXOVPDVJQFC-YADHBBJMSA-N 1 0 442.652 3.630 50 0 IHAARO Cc1oc2ccn(Cc3ccc(F)cc3)c(=O)c2c1C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000065230412 569118247 /nfs/dbraw/zinc/11/82/47/569118247.db2.gz IOXKCXHGAPUZRN-UHFFFAOYSA-N 1 0 425.504 3.504 50 0 IHAARO COc1cccc(C[NH2+][C@@H]2CCN(c3ccc(C(=O)Nc4ccccc4)cn3)C2)c1OC ZINC000065257031 569123310 /nfs/dbraw/zinc/12/33/10/569123310.db2.gz RHDUBIHVVGDQAC-OAQYLSRUSA-N 1 0 432.524 3.720 50 0 IHAARO CCn1ncc(-c2noc3nc(C4CC4)cc(C(=O)N[C@@H](C)C[NH+]4CCCCC4)c32)c1C ZINC000036619156 569124746 /nfs/dbraw/zinc/12/47/46/569124746.db2.gz PYKBXEJMOPBSMI-HNNXBMFYSA-N 1 0 436.560 3.896 50 0 IHAARO COc1cc(OC)c(NC(=O)NCCNc2nc(N3CCCCC3)cc(C)[nH+]2)cc1Cl ZINC000036708133 569134919 /nfs/dbraw/zinc/13/49/19/569134919.db2.gz LMLOQQKDNNALIT-UHFFFAOYSA-N 1 0 448.955 3.680 50 0 IHAARO Cc1cccc(-c2n[nH]cc2C(=O)NC2CCN(c3nc(C)nc4c3CCCC4)CC2)c1 ZINC000238963944 569138137 /nfs/dbraw/zinc/13/81/37/569138137.db2.gz YTTJVIUQOFBMBM-UHFFFAOYSA-N 1 0 430.556 3.761 50 0 IHAARO C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000065614860 569140298 /nfs/dbraw/zinc/14/02/98/569140298.db2.gz KENPWTLHNAMDGH-FQEVSTJZSA-N 1 0 434.367 3.976 50 0 IHAARO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCNc2cccc(Br)c2)cc1 ZINC000170593090 569141179 /nfs/dbraw/zinc/14/11/79/569141179.db2.gz ALFOLYFZMHYFMB-AWEZNQCLSA-N 1 0 426.380 3.973 50 0 IHAARO C[NH+](C)CC1(C(=O)NCCCN(Cc2cccnc2)C(=O)OC(C)(C)C)CCCCC1 ZINC000170595775 569141750 /nfs/dbraw/zinc/14/17/50/569141750.db2.gz YFHVZHPGSLCSQX-UHFFFAOYSA-N 1 0 432.609 3.837 50 0 IHAARO C[NH+]1CCC(N(c2ccc(Br)cc2)S(=O)(=O)c2cccc(F)c2)CC1 ZINC000170617401 569147329 /nfs/dbraw/zinc/14/73/29/569147329.db2.gz NZQXAKUZHVFKSD-UHFFFAOYSA-N 1 0 427.339 3.878 50 0 IHAARO COc1cccc(NC(=O)COc2ccc(C(=O)NCC(C)(C)[NH+]3CCCCC3)cc2)c1 ZINC000014060688 569157683 /nfs/dbraw/zinc/15/76/83/569157683.db2.gz SNDYDKNCURDJDN-UHFFFAOYSA-N 1 0 439.556 3.707 50 0 IHAARO C[NH+](C)[C@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cccc(F)c1 ZINC000014072509 569157687 /nfs/dbraw/zinc/15/76/87/569157687.db2.gz QNRSVASYNLYNAX-LJQANCHMSA-N 1 0 438.469 3.875 50 0 IHAARO CC[NH+](CC)CCCN1CC(=O)N2[C@H](c3ccccc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002105314 569181003 /nfs/dbraw/zinc/18/10/03/569181003.db2.gz ZCMGVGMZTFOTAP-JYFHCDHNSA-N 1 0 444.579 3.585 50 0 biogenic IHAARO CCOCCOCc1cccc(NC(=O)N2C[C@H](CC)[N@H+](CC(C)(C)O)C[C@H]2CC)c1 ZINC000252515698 569189177 /nfs/dbraw/zinc/18/91/77/569189177.db2.gz MWMKNYZIZPTRMX-FCHUYYIVSA-N 1 0 435.609 3.717 50 0 IHAARO COc1ccccc1C[NH+]1CCC(NC(=O)COc2ccc(Br)cc2)CC1 ZINC000170649068 569189455 /nfs/dbraw/zinc/18/94/55/569189455.db2.gz AOCYJMYZEMZXTK-UHFFFAOYSA-N 1 0 433.346 3.617 50 0 IHAARO Cc1cccc(N2CCN(C(=O)c3cccnc3N3CC[NH2+][C@@H](c4ccccc4)C3)CC2)c1 ZINC000065255821 569263296 /nfs/dbraw/zinc/26/32/96/569263296.db2.gz RCZLSJXWOFHEPF-RUZDIDTESA-N 1 0 441.579 3.503 50 0 IHAARO CN([C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000253370181 569264153 /nfs/dbraw/zinc/26/41/53/569264153.db2.gz NISHWYGBUXMQHC-RTBURBONSA-N 1 0 447.567 3.663 50 0 IHAARO CCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000002407950 569300373 /nfs/dbraw/zinc/30/03/73/569300373.db2.gz VDCOLNYJQPPPGN-QFIPXVFZSA-N 1 0 436.508 3.697 50 0 IHAARO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccc(-c2ccccc2)cc1 ZINC000013113109 569310679 /nfs/dbraw/zinc/31/06/79/569310679.db2.gz MRBNTRMQHFRSKC-ZWKOTPCHSA-N 1 0 437.565 3.529 50 0 IHAARO Cc1c(OCC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc2c3c(c(=O)oc12)CCCC3 ZINC000079190438 569327924 /nfs/dbraw/zinc/32/79/24/569327924.db2.gz AKTPBSFLMVSNAN-PGRDOPGGSA-N 1 0 438.568 3.740 50 0 biogenic IHAARO C[C@H]1C[N@H+](CCc2cccc(NC(=O)[C@@H](c3ccccc3F)N3CCOCC3)c2)C[C@H]1C ZINC000095464924 569370644 /nfs/dbraw/zinc/37/06/44/569370644.db2.gz OQEVALRCYGSVKT-OHUGHZGNSA-N 1 0 439.575 3.968 50 0 IHAARO CS[C@H]1CN(C(=O)Nc2cccc(COCCOc3ccccc3)c2)C[C@H]1[NH+](C)C ZINC000095996498 569378757 /nfs/dbraw/zinc/37/87/57/569378757.db2.gz CWXTUUJFTIGVFC-YADHBBJMSA-N 1 0 429.586 3.792 50 0 IHAARO C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CC(=O)Nc1ccccc1C(N)=O ZINC000095995955 569378818 /nfs/dbraw/zinc/37/88/18/569378818.db2.gz BFLSPJCRCZULNB-ZMZPIMSZSA-N 1 0 434.359 3.559 50 0 IHAARO Cc1c(OCC(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc2c3c(c(=O)oc12)CCCC3 ZINC000096343564 569396892 /nfs/dbraw/zinc/39/68/92/569396892.db2.gz AKTPBSFLMVSNAN-XMSQKQJNSA-N 1 0 438.568 3.740 50 0 IHAARO Cc1cccc(-n2c(CC(=O)N3CCC([NH+]4CCCCC4)CC3)c3[nH]cccc-3c2=O)c1 ZINC000096386999 569398783 /nfs/dbraw/zinc/39/87/83/569398783.db2.gz VWBQTGNXMQHAFO-QHCPKHFHSA-N 1 0 432.568 3.959 50 0 IHAARO CC(C)C[NH+]1CCN(C(=O)[C@@H]2CCc3sc(C(=O)N4CCCCCC4)cc3C2)CC1 ZINC000096398423 569399695 /nfs/dbraw/zinc/39/96/95/569399695.db2.gz GZKZGOMTQREIPV-LJQANCHMSA-N 1 0 431.646 3.669 50 0 IHAARO COc1ccc2[nH]cc(/C=C(\NC(=O)c3ccccc3)C(=O)N(C)C3CC[NH+](C)CC3)c2c1 ZINC000215699746 569412411 /nfs/dbraw/zinc/41/24/11/569412411.db2.gz JOIHOPNQIWFBBN-IWIPYMOSSA-N 1 0 446.551 3.500 50 0 IHAARO CC[NH+](CC)[C@H](CNC(=O)NCCc1ccc(OC)c(OC)c1)c1cccc(OC)c1 ZINC000029321333 569429572 /nfs/dbraw/zinc/42/95/72/569429572.db2.gz PMLXVULQEKPBER-OAQYLSRUSA-N 1 0 429.561 3.637 50 0 IHAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(F)cc3)C[C@H]1[C@H](C(=O)NCc1ccco1)C2 ZINC000230128958 569438884 /nfs/dbraw/zinc/43/88/84/569438884.db2.gz FJCDEONHGRMNGD-NOZRDPDXSA-N 1 0 449.526 3.607 50 0 IHAARO C[C@@H](NC(=O)c1cc(Br)ccc1F)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000058159518 569449084 /nfs/dbraw/zinc/44/90/84/569449084.db2.gz ZNILFNPMZNAQBO-CYBMUJFWSA-N 1 0 438.316 3.970 50 0 IHAARO CCCC[N@H+](CC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000003657956 569455886 /nfs/dbraw/zinc/45/58/86/569455886.db2.gz FIBQMZRWOABZQK-BJKOFHAPSA-N 1 0 437.584 3.844 50 0 IHAARO CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1 ZINC000031557212 569456759 /nfs/dbraw/zinc/45/67/59/569456759.db2.gz IELVBGVRIZAFBM-FQEVSTJZSA-N 1 0 443.544 3.844 50 0 IHAARO NC(=[NH2+])SCC(=O)Nc1c(Br)cc(Br)cc1Br ZINC000004015672 569458214 /nfs/dbraw/zinc/45/82/14/569458214.db2.gz IWCFNBUVADIOEZ-UHFFFAOYSA-N 1 0 445.962 3.539 50 0 IHAARO CCCC[N@H+](CC)CCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008813432 569476681 /nfs/dbraw/zinc/47/66/81/569476681.db2.gz XGHSFJCXAUPFAW-UHFFFAOYSA-N 1 0 449.592 3.546 50 0 IHAARO COC(=O)c1ccc(N2CCCC2)c(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000040104488 569488175 /nfs/dbraw/zinc/48/81/75/569488175.db2.gz PQLVAFNJRWLJTL-HXUWFJFHSA-N 1 0 426.517 3.625 50 0 IHAARO COc1ccc([C@@H](CNC(=O)c2csc(-c3cnn(C)c3)n2)[NH+]2CCCCC2)cc1 ZINC000040143482 569491979 /nfs/dbraw/zinc/49/19/79/569491979.db2.gz YWTUFVZMYBFUMN-HXUWFJFHSA-N 1 0 425.558 3.509 50 0 IHAARO CC[NH+]1CCN(c2ccc(CNC(=O)c3cccnc3Sc3ccccc3)cn2)CC1 ZINC000040151643 569493279 /nfs/dbraw/zinc/49/32/79/569493279.db2.gz XJZLMJXNOPBDRS-UHFFFAOYSA-N 1 0 433.581 3.700 50 0 IHAARO Cc1cc(-c2ccc(C)c(S(=O)(=O)NCC3CC[NH+](Cc4ccco4)CC3)c2)on1 ZINC000009268728 569517590 /nfs/dbraw/zinc/51/75/90/569517590.db2.gz XSJVIRZMNHQNBU-UHFFFAOYSA-N 1 0 429.542 3.742 50 0 IHAARO CC[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000070036669 569529330 /nfs/dbraw/zinc/52/93/30/569529330.db2.gz UOTBZEZQXGAJDS-QZTJIDSGSA-N 1 0 444.992 3.959 50 0 IHAARO O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000009638256 569554995 /nfs/dbraw/zinc/55/49/95/569554995.db2.gz BRGZNQYDBKPRTO-UHFFFAOYSA-N 1 0 438.509 3.792 50 0 IHAARO CC[NH+](CC)CCn1c2ccccc2n(CC(=O)c2cccc(Br)c2)c1=N ZINC000009680336 569560100 /nfs/dbraw/zinc/56/01/00/569560100.db2.gz PHDZJUXLRABRGU-UHFFFAOYSA-N 1 0 429.362 3.909 50 0 IHAARO Cc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1NC(=O)C1=CSCCO1 ZINC000009739479 569564993 /nfs/dbraw/zinc/56/49/93/569564993.db2.gz BGSJMJWZVGTERC-UHFFFAOYSA-N 1 0 429.586 3.629 50 0 IHAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(C(=O)c2cc3sccc3n2C)CC1 ZINC000009847791 569571166 /nfs/dbraw/zinc/57/11/66/569571166.db2.gz RHMAWQSYYZXOEJ-IBGZPJMESA-N 1 0 444.645 3.863 50 0 IHAARO CSCC[C@@H]1C[C@H](C(=O)Nc2ccc(F)cc2)[C@]2([NH2+]1)C(=O)Nc1ccc(Cl)cc12 ZINC000071333830 569575688 /nfs/dbraw/zinc/57/56/88/569575688.db2.gz JOHRRPUZINTVMC-CEQIKUNHSA-N 1 0 433.936 3.996 50 0 IHAARO COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1cccc2ccccc21)[NH+](C)C ZINC000010333783 569581000 /nfs/dbraw/zinc/58/10/00/569581000.db2.gz OMPKBZHWNKFAHG-HXUWFJFHSA-N 1 0 425.916 3.859 50 0 IHAARO COc1ccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)[NH+](C)C)cc1Cl ZINC000010333692 569581059 /nfs/dbraw/zinc/58/10/59/569581059.db2.gz CSNLYFZRNSQPNK-HXUWFJFHSA-N 1 0 425.916 3.859 50 0 IHAARO CC[NH+]1CCN(c2nc3sc4c(c3c(=O)n2-c2ccc(OC)cc2)CCCCC4)CC1 ZINC000002215609 132249062 /nfs/dbraw/zinc/24/90/62/132249062.db2.gz JLPNYBCUPIHVAG-UHFFFAOYSA-N 1 0 438.597 3.867 50 0 IHAARO CC[NH+]1CCN(c2nc(SCc3cccc(C(=O)NC(C)C)c3)nc(C)c2C)CC1 ZINC000006765358 132278656 /nfs/dbraw/zinc/27/86/56/132278656.db2.gz XYKKQJQNFYHJJS-UHFFFAOYSA-N 1 0 427.618 3.666 50 0 IHAARO Cc1ccc2onc(CNC(=O)NCCC[NH+]3CCN(c4cc(C)ccc4C)CC3)c2c1 ZINC000009117007 132304212 /nfs/dbraw/zinc/30/42/12/132304212.db2.gz RJQZRFBZXQRRKS-UHFFFAOYSA-N 1 0 435.572 3.765 50 0 IHAARO CSc1ncc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)n1-c1ccc(F)cc1 ZINC000009647235 132324859 /nfs/dbraw/zinc/32/48/59/132324859.db2.gz LDJRWTSZGCOEKP-UHFFFAOYSA-N 1 0 425.533 3.737 50 0 IHAARO CC[NH+]1CCN(c2ccc(NC(=O)Cn3c4ccccc4nc3-c3cscn3)cc2)CC1 ZINC000009909356 132331737 /nfs/dbraw/zinc/33/17/37/132331737.db2.gz QDVOHALKUILUTC-UHFFFAOYSA-N 1 0 446.580 3.940 50 0 IHAARO CC(=O)N1CCC([NH+]2CCC(Oc3ccc(C(=O)NC4CCCC4)cc3Cl)CC2)CC1 ZINC000012593243 519510821 /nfs/dbraw/zinc/51/08/21/519510821.db2.gz QVSHFMIKVGYQBN-UHFFFAOYSA-N 1 0 448.007 3.867 50 0 IHAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cnn(-c3nccc(-c4cccs4)n3)c2C2CC2)C1 ZINC000012328500 520845381 /nfs/dbraw/zinc/84/53/81/520845381.db2.gz STICOMPSAPTNSA-QGZVFWFLSA-N 1 0 436.585 3.825 50 0 IHAARO CCN(CC)c1cc(C(F)(F)F)nc(SCc2ccc(C(=O)NCC[NH+](C)C)o2)n1 ZINC000036038751 520875780 /nfs/dbraw/zinc/87/57/80/520875780.db2.gz NFKVTGMGORVOOS-UHFFFAOYSA-N 1 0 445.511 3.518 50 0 IHAARO CC[N@H+](CCNC(=O)C1CCN(c2ccc(-c3ccccc3)nn2)CC1)Cc1ccccc1 ZINC000035398349 521052251 /nfs/dbraw/zinc/05/22/51/521052251.db2.gz PQBICGBPZBAPPI-UHFFFAOYSA-N 1 0 443.595 3.998 50 0 IHAARO CCC(CC)[C@@H](CNC(=O)CCn1c(=S)[nH]nc1-c1cccc(C)c1)[NH+]1CCOCC1 ZINC000022898873 521603097 /nfs/dbraw/zinc/60/30/97/521603097.db2.gz SPWQZXABBFNIPG-HXUWFJFHSA-N 1 0 445.633 3.559 50 0 IHAARO CC[NH+]1CCN(Cc2nc3cc(NC(=O)COc4ccccc4)ccc3n2C(C)C)CC1 ZINC000020608864 521689625 /nfs/dbraw/zinc/68/96/25/521689625.db2.gz ZJXIMGDTTLIPFJ-UHFFFAOYSA-N 1 0 435.572 3.772 50 0 IHAARO COc1cc(CN(C)Cc2c(C)n[nH]c2C)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012593492 522350114 /nfs/dbraw/zinc/35/01/14/522350114.db2.gz GBRJUWDRSTZZQI-QFIPXVFZSA-N 1 0 444.620 3.671 50 0 IHAARO COc1cc(CN(C)Cc2c(C)n[nH]c2C)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012593497 522352241 /nfs/dbraw/zinc/35/22/41/522352241.db2.gz GBRJUWDRSTZZQI-JOCHJYFZSA-N 1 0 444.620 3.671 50 0 IHAARO COc1cc(C[NH+]2CCC(Oc3cc(C(=O)NC4CC4)ccc3OC)CC2)cc(OC)c1 ZINC000012431818 522370430 /nfs/dbraw/zinc/37/04/30/522370430.db2.gz WAYQIWFJOTZTTG-UHFFFAOYSA-N 1 0 440.540 3.648 50 0 IHAARO COC[C@@H]1CCCC[N@@H+]1Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12 ZINC000020866627 522443906 /nfs/dbraw/zinc/44/39/06/522443906.db2.gz QIXPSAFYGQGRMP-QFIPXVFZSA-N 1 0 434.584 3.958 50 0 IHAARO CC[C@H](O)C[N@H+](CCN1CCOCC1)Cc1cccn1Cc1ccc(C(C)(C)C)cc1 ZINC000022584469 522807473 /nfs/dbraw/zinc/80/74/73/522807473.db2.gz SDRSPBVQGDOULT-VWLOTQADSA-N 1 0 427.633 3.739 50 0 IHAARO C[NH+]1CCC(N2CCN(c3ncccc3-c3nnc(-c4ccc(Cl)cc4)o3)CC2)CC1 ZINC000035527947 523770133 /nfs/dbraw/zinc/77/01/33/523770133.db2.gz XBTZXUULVMUUBA-UHFFFAOYSA-N 1 0 438.963 3.668 50 0 IHAARO CCc1ccc([C@H](CNC(=O)c2ccccc2SCC(=O)N2CCCC2)[NH+](C)C)cc1 ZINC000036062963 524049198 /nfs/dbraw/zinc/04/91/98/524049198.db2.gz IFFRYGLNLARGOL-QFIPXVFZSA-N 1 0 439.625 3.996 50 0 IHAARO Cc1cc(C)c(C[N@@H+]2CCC[C@H](CNC(=O)c3ccc4c(c3)OCO4)C2)c(-n2cccn2)c1 ZINC000012459723 524259632 /nfs/dbraw/zinc/25/96/32/524259632.db2.gz LFLTWMDKJNMFTP-HXUWFJFHSA-N 1 0 446.551 3.860 50 0 IHAARO C[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2C[NH2+]CC[C@@H]2C[C@@H]3C=C[C@H]2C3)C[C@H](C)O1 ZINC000012305869 524884986 /nfs/dbraw/zinc/88/49/86/524884986.db2.gz JBUNRZLMPXYWAU-MTHXSQLBSA-N 1 0 442.991 3.929 50 0 IHAARO COc1ncccc1C(=O)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012761548 525034828 /nfs/dbraw/zinc/03/48/28/525034828.db2.gz UNNSDFCWIHNGGU-OAQYLSRUSA-N 1 0 441.547 3.763 50 0 IHAARO C[C@@H](NC(=O)C1CC1)c1nnc2n1CC[N@@H+](Cc1ccc(-c3cccc(Cl)c3)o1)CC2 ZINC000020909041 525062836 /nfs/dbraw/zinc/06/28/36/525062836.db2.gz RRNIDSLXLTVNCX-OAHLLOKOSA-N 1 0 439.947 3.837 50 0 IHAARO C[C@@H](NC(=O)c1ccc(N2CCC([NH2+]CCCN3CCCC3=O)CC2)cc1)c1ccccc1 ZINC000012218881 525330090 /nfs/dbraw/zinc/33/00/90/525330090.db2.gz GRGBYFPSFXOQAS-OAQYLSRUSA-N 1 0 448.611 3.749 50 0 IHAARO Cc1c(C(=O)NCCC[NH+]2[C@@H](C)CCC[C@@H]2C)sc2nc3n(c(=O)c12)CCCCC3 ZINC000020902330 525610281 /nfs/dbraw/zinc/61/02/81/525610281.db2.gz PYUPMCOGYRCAGM-HOTGVXAUSA-N 1 0 430.618 3.876 50 0 IHAARO Cc1cc2cc(C[NH2+]Cc3c(C(=O)N4C[C@@H](C)O[C@@H](C)C4)nc4sccn34)ccc2[nH]1 ZINC000012441465 525638882 /nfs/dbraw/zinc/63/88/82/525638882.db2.gz HTJBCZZEJJYLPV-IYBDPMFKSA-N 1 0 437.569 3.725 50 0 IHAARO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000057381171 525659349 /nfs/dbraw/zinc/65/93/49/525659349.db2.gz FVLLPSGGVACGMG-VXGBXAGGSA-N 1 0 445.919 3.546 50 0 IHAARO Cc1ccc(-n2cc(C3=CCN(CC(=O)N4CCC([NH+]5CCCCC5)CC4)CC3)cn2)cc1 ZINC000035403815 525906855 /nfs/dbraw/zinc/90/68/55/525906855.db2.gz XNXDLWHXSKLCBS-UHFFFAOYSA-N 1 0 447.627 3.747 50 0 IHAARO Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)NCCC[NH+]1CCCCC1 ZINC000020417023 525992456 /nfs/dbraw/zinc/99/24/56/525992456.db2.gz CNLNFGBAUYQTQC-UHFFFAOYSA-N 1 0 449.599 3.576 50 0 IHAARO O=C(CN1CCC[C@H](c2nc3ccccc3s2)C1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012913617 526757439 /nfs/dbraw/zinc/75/74/39/526757439.db2.gz ZVTHZKNSRZHPIO-LEWJYISDSA-N 1 0 434.609 3.866 50 0 IHAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N1CCc2ccccc2C1 ZINC000022030717 526767318 /nfs/dbraw/zinc/76/73/18/526767318.db2.gz UABXAYFNKZACQX-UHFFFAOYSA-N 1 0 425.576 3.979 50 0 IHAARO Cc1occc1C(=O)N[C@H](C)c1nnc2n1CC[N@@H+](Cc1ccc(CC(C)C)cc1)CC2 ZINC000012196872 526813794 /nfs/dbraw/zinc/81/37/94/526813794.db2.gz IDCOPNYQLPHMHT-GOSISDBHSA-N 1 0 435.572 3.927 50 0 IHAARO O=C1CSc2sc3c(ncn(C[C@H](c4cccs4)[NH+]4CCCCC4)c3=O)c2N1 ZINC000035671613 527017788 /nfs/dbraw/zinc/01/77/88/527017788.db2.gz DZXCCMKINDNGGH-GFCCVEGCSA-N 1 0 432.596 3.791 50 0 IHAARO O=C1C[C@@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1Cc1cccs1 ZINC000022800280 527018546 /nfs/dbraw/zinc/01/85/46/527018546.db2.gz KOHBOWIMKVJTCB-HSZRJFAPSA-N 1 0 445.588 3.783 50 0 IHAARO NS(=O)(=O)c1ccc(CC[NH2+][C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000022089605 527311488 /nfs/dbraw/zinc/31/14/88/527311488.db2.gz GLJNFDHGTNKTJR-HSZRJFAPSA-N 1 0 433.533 3.572 50 0 IHAARO NS(=O)(=O)c1ccc(CC[NH2+][C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000013126473 527312204 /nfs/dbraw/zinc/31/22/04/527312204.db2.gz GLJNFDHGTNKTJR-QHCPKHFHSA-N 1 0 433.533 3.572 50 0 IHAARO O=C(NC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000035871205 527493912 /nfs/dbraw/zinc/49/39/12/527493912.db2.gz CQGUBYASTKGIBU-UNMCSNQZSA-N 1 0 429.486 3.847 50 0 IHAARO Cn1ncc2c1nc(N1CCC([NH+]3CCCCC3)CC1)nc2NCCc1cccs1 ZINC000021930284 527582305 /nfs/dbraw/zinc/58/23/05/527582305.db2.gz HZVWIRHCLLXLKY-UHFFFAOYSA-N 1 0 425.606 3.534 50 0 IHAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cnn(-c2cccc(F)c2)c1-n1cccc1 ZINC000020980712 527674444 /nfs/dbraw/zinc/67/44/44/527674444.db2.gz QOGLHMSWKDDHKP-UHFFFAOYSA-N 1 0 443.526 3.980 50 0 IHAARO Cc1nn(C)cc1C[N@H+](C)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2ocnc2C)CC1 ZINC000020451622 527691783 /nfs/dbraw/zinc/69/17/83/527691783.db2.gz ZWNWVYULSVFELY-QHCPKHFHSA-N 1 0 435.572 3.620 50 0 IHAARO O=S(=O)(NCC[NH2+]C/C=C/c1ccc(Br)cc1)c1cccc2cnccc21 ZINC000002043204 555728233 /nfs/dbraw/zinc/72/82/33/555728233.db2.gz ZKZXNDJNWUTGDK-NSCUHMNNSA-N 1 0 446.370 3.579 50 0 in-vivo IHAARO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N[C@@H](c1ccccc1)[C@@H]([NH3+])c1ccccc1)C(=O)C2 ZINC000002553982 555787297 /nfs/dbraw/zinc/78/72/97/555787297.db2.gz ITNLZZDQOMWQDT-LKFPXLSTSA-N 1 0 426.582 3.743 50 0 IHAARO CCC(=O)N1CCC(c2nc(C)ccc2C(=O)N(CC[NH+](C)C)Cc2ccccc2)CC1 ZINC000034723971 555864204 /nfs/dbraw/zinc/86/42/04/555864204.db2.gz MMXUDJQKEMKACX-UHFFFAOYSA-N 1 0 436.600 3.710 50 0 IHAARO CCCC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830292 555911707 /nfs/dbraw/zinc/91/17/07/555911707.db2.gz RJARQQYINIACDN-DVECYGJZSA-N 1 0 439.625 3.863 50 0 IHAARO C[NH+]1CCC(NC(=O)c2cnc(-c3ccc4c(c3)OCO4)nc2Nc2ccccc2F)CC1 ZINC000034921959 555932327 /nfs/dbraw/zinc/93/23/27/555932327.db2.gz OIMAIRKOCOWQPF-UHFFFAOYSA-N 1 0 449.486 3.579 50 0 IHAARO CNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)CN1Cc1cccc(Cl)c1 ZINC000032561887 556338296 /nfs/dbraw/zinc/33/82/96/556338296.db2.gz ADRHTRAKMBMTOO-OALUTQOASA-N 1 0 425.882 3.838 50 0 IHAARO COc1ccccc1-n1cc(C[N@@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3F)C2)cn1 ZINC000011768804 556349681 /nfs/dbraw/zinc/34/96/81/556349681.db2.gz VKWPJFGBVKWBOT-XMMPIXPASA-N 1 0 427.495 3.976 50 0 IHAARO COCCN(Cc1cnc(SC)nc1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011816304 556358826 /nfs/dbraw/zinc/35/88/26/556358826.db2.gz FHKDYRXWCUZBPA-IBGZPJMESA-N 1 0 426.630 3.526 50 0 IHAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3cccc4nonc43)C2)c(OC)c1 ZINC000011946854 556380378 /nfs/dbraw/zinc/38/03/78/556380378.db2.gz NYXZAQJNSVEDAW-KRWDZBQOSA-N 1 0 438.528 3.549 50 0 IHAARO CC(C)[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccc2c(c1)OCCO2 ZINC000014186182 556386028 /nfs/dbraw/zinc/38/60/28/556386028.db2.gz QIMLBAXRNPUCGI-QFIPXVFZSA-N 1 0 441.919 3.617 50 0 IHAARO C[NH+](C)C1(CNC(=O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)CCCCC1 ZINC000014189631 556387218 /nfs/dbraw/zinc/38/72/18/556387218.db2.gz AFHYHVLSGMTVCV-UHFFFAOYSA-N 1 0 442.560 3.645 50 0 IHAARO COc1cc2cc(C[N@H+](C)CCn3cccn3)c(=O)n(Cc3ccc(C)cc3)c2cc1OC ZINC000012040259 556390875 /nfs/dbraw/zinc/39/08/75/556390875.db2.gz HGBAZMQZTJXRKB-UHFFFAOYSA-N 1 0 446.551 3.704 50 0 IHAARO CC(C)(CNC(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)[NH+]1CCCCC1 ZINC000014232104 556398220 /nfs/dbraw/zinc/39/82/20/556398220.db2.gz DSRPHJIYERUUII-UHFFFAOYSA-N 1 0 442.560 3.645 50 0 IHAARO CC(C)CN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1ccc(O)cc1)CC2 ZINC000014538005 556424389 /nfs/dbraw/zinc/42/43/89/556424389.db2.gz QBNXKXFJAPUYBH-UHFFFAOYSA-N 1 0 447.579 3.814 50 0 IHAARO COc1ccccc1[C@H](CNC(=O)CCc1nc(-c2ccsc2)no1)[NH+]1CCCC1 ZINC000032841473 556427041 /nfs/dbraw/zinc/42/70/41/556427041.db2.gz KGQJUYYAUKXUKL-SFHVURJKSA-N 1 0 426.542 3.693 50 0 IHAARO C[NH+]1CCN(c2ccccc2NC(=O)Cc2csc3nc(-c4ccccc4)cn23)CC1 ZINC000032843375 556428344 /nfs/dbraw/zinc/42/83/44/556428344.db2.gz XLQNTFJTLGGJHQ-UHFFFAOYSA-N 1 0 431.565 3.996 50 0 IHAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]Cc1cccc(OC)c1OC)C2 ZINC000014754841 556444675 /nfs/dbraw/zinc/44/46/75/556444675.db2.gz BWRVWERLCQQRFY-IBGZPJMESA-N 1 0 440.588 3.584 50 0 IHAARO COc1ccccc1[C@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CCCCC1)[NH+]1CCCCC1 ZINC000072272711 556447197 /nfs/dbraw/zinc/44/71/97/556447197.db2.gz YWKJMAUFUWKFFU-GOTSBHOMSA-N 1 0 441.616 3.910 50 0 IHAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1ccc3ccccc3c1)CC2)C1CCCCC1 ZINC000014878606 556452260 /nfs/dbraw/zinc/45/22/60/556452260.db2.gz PNMDIZKFEWTVSG-UHFFFAOYSA-N 1 0 431.584 3.729 50 0 IHAARO Cc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](C[C@H](C)c2ccccc2)CC3)c(C)c1 ZINC000014882102 556454196 /nfs/dbraw/zinc/45/41/96/556454196.db2.gz IDVGXIWVSYIIIZ-NRFANRHFSA-N 1 0 431.584 3.529 50 0 IHAARO COc1ccc([C@@H](CNC(=O)C[C@@H]2Sc3ccccc3NC2=O)[NH+]2CCCCC2)cc1 ZINC000013102645 556461299 /nfs/dbraw/zinc/46/12/99/556461299.db2.gz DNTPXIOEQBRZRW-IRLDBZIGSA-N 1 0 439.581 3.842 50 0 IHAARO COCCNC(=O)c1ccc(OC2CC[NH+](C[C@@H]3CCOC(C)(C)C3)CC2)c(Cl)c1 ZINC000014955292 556461939 /nfs/dbraw/zinc/46/19/39/556461939.db2.gz RBDRSSKWIYFRBC-QGZVFWFLSA-N 1 0 438.996 3.765 50 0 IHAARO CC(C)(C)NC(=O)CN1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000029196364 556469950 /nfs/dbraw/zinc/46/99/50/556469950.db2.gz CBIHQHTVLXBCRJ-UHFFFAOYSA-N 1 0 445.611 3.962 50 0 IHAARO CC[NH+](CC)[C@@H](C(=O)NCc1ccc(-n2cccn2)nc1)c1cccc(C(F)(F)F)c1 ZINC000072283607 556474300 /nfs/dbraw/zinc/47/43/00/556474300.db2.gz WTSLDTUVRNRSLD-HXUWFJFHSA-N 1 0 431.462 3.985 50 0 IHAARO Cc1c(C[NH2+][C@@H]2CCc3c(sc4ncn(CC5CCCCC5)c(=O)c34)C2)cnn1C ZINC000014993109 556476126 /nfs/dbraw/zinc/47/61/26/556476126.db2.gz WSYKDKUPBFVMDW-GOSISDBHSA-N 1 0 425.602 3.727 50 0 IHAARO C[C@@H](Cc1ccccc1F)[NH2+]Cc1cc(NC(=O)c2ccccn2)cc(C(=O)N(C)C)c1 ZINC000014994092 556476789 /nfs/dbraw/zinc/47/67/89/556476789.db2.gz HALFDGHQOHGZNZ-KRWDZBQOSA-N 1 0 434.515 3.896 50 0 IHAARO C[NH+](C)Cc1cc(-c2ncccn2)ccc1OCC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000014997293 556478275 /nfs/dbraw/zinc/47/82/75/556478275.db2.gz DERWZPZIAMCOTP-UHFFFAOYSA-N 1 0 444.457 3.919 50 0 IHAARO C[NH+]1CCN(c2ccc(CNC(=O)N[C@H](Cc3ccccc3)c3ccccc3)cn2)CC1 ZINC000029733092 556480971 /nfs/dbraw/zinc/48/09/71/556480971.db2.gz FJLRUUQIBLNWRG-XMMPIXPASA-N 1 0 429.568 3.617 50 0 IHAARO CCn1nc(C)c(C[NH+]2CCC(n3nccc3NC(=O)c3ccccc3OC)CC2)c1C ZINC000015073560 556497628 /nfs/dbraw/zinc/49/76/28/556497628.db2.gz IZKVSTMNGRRGEF-UHFFFAOYSA-N 1 0 436.560 3.814 50 0 IHAARO CCOc1ccccc1OCCCC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000072295382 556520032 /nfs/dbraw/zinc/52/00/32/556520032.db2.gz CJJMXIAOAPHDJI-OAQYLSRUSA-N 1 0 425.573 3.571 50 0 IHAARO Cc1oc2ncnc(N3CCC[C@@H](C(=O)N4CC[NH+](C5CCCCC5)CC4)C3)c2c1C ZINC000032959953 556553610 /nfs/dbraw/zinc/55/36/10/556553610.db2.gz PNQONZRZARCSQD-LJQANCHMSA-N 1 0 425.577 3.533 50 0 IHAARO CC[NH+](CC)CCOC1CCN(CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000072305615 556553982 /nfs/dbraw/zinc/55/39/82/556553982.db2.gz NEEVLHXGCPMHNJ-DEOSSOPVSA-N 1 0 447.620 3.916 50 0 IHAARO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)c1 ZINC000072308763 556567341 /nfs/dbraw/zinc/56/73/41/556567341.db2.gz LAHSKUYYSZVPHW-XMMPIXPASA-N 1 0 437.584 3.869 50 0 IHAARO CC(=O)NCCCCCC(=O)O[C@@H]1CCC[C@H]1[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000072310695 556576724 /nfs/dbraw/zinc/57/67/24/556576724.db2.gz ANRZWFBCFHVQGE-FGZHOGPDSA-N 1 0 435.996 3.623 50 0 IHAARO C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000016045383 556579244 /nfs/dbraw/zinc/57/92/44/556579244.db2.gz ZWJFFQSEQWJLSV-OAHLLOKOSA-N 1 0 433.474 3.502 50 0 IHAARO CC[NH+]1CCN(CCNC(=O)CCc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)CC1 ZINC000032974941 556596694 /nfs/dbraw/zinc/59/66/94/556596694.db2.gz QYEUODKAHBVBMF-UHFFFAOYSA-N 1 0 445.611 3.534 50 0 IHAARO O=C(CCCn1c(=O)oc2ccccc21)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000032988522 556608691 /nfs/dbraw/zinc/60/86/91/556608691.db2.gz KRCBYBIMAZFHCF-FQEVSTJZSA-N 1 0 427.932 3.981 50 0 IHAARO C[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C(=O)CNC(=O)/C=C/c2cccc(Cl)c2)CC1 ZINC000005057782 556628050 /nfs/dbraw/zinc/62/80/50/556628050.db2.gz HFXXTNQBBOELEE-GAPZJSMVSA-N 1 0 432.008 3.971 50 0 IHAARO CC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2F)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856993 556672799 /nfs/dbraw/zinc/67/27/99/556672799.db2.gz TXCANIUBIGTSAX-QFIPXVFZSA-N 1 0 432.561 3.709 50 0 IHAARO C[NH+]1CCN(Cc2ccc(CNC(=O)c3ccccc3COc3ccccc3)cc2)CC1 ZINC000032932409 556675656 /nfs/dbraw/zinc/67/56/56/556675656.db2.gz XMUQMUHXSPTLRY-UHFFFAOYSA-N 1 0 429.564 3.943 50 0 IHAARO O=C(CC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1)N1CCN(c2ccccn2)CC1 ZINC000019148675 556707298 /nfs/dbraw/zinc/70/72/98/556707298.db2.gz QTGNNFIWGVXBJC-LJQANCHMSA-N 1 0 428.527 3.701 50 0 IHAARO CCOc1ccc(CN2CCC[C@H]([N@H+](C)CCc3ccc(OC)c(OC)c3)C2)cc1CO ZINC000019224430 556716681 /nfs/dbraw/zinc/71/66/81/556716681.db2.gz XYUFAQHWQPANRN-QHCPKHFHSA-N 1 0 442.600 3.734 50 0 IHAARO CCOc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NCC[NH+](C)C)c3)C2)cc1 ZINC000033035090 556717735 /nfs/dbraw/zinc/71/77/35/556717735.db2.gz XIWNMJVTDAPNON-NRFANRHFSA-N 1 0 438.572 3.788 50 0 IHAARO COc1cccc(OCC[NH+]2CCN(c3cc(C)nc4c(-c5ccccc5)cnn43)CC2)c1 ZINC000054274619 556729754 /nfs/dbraw/zinc/72/97/54/556729754.db2.gz FKPHXFQWZRXMSA-UHFFFAOYSA-N 1 0 443.551 3.914 50 0 IHAARO Cc1cc(C)c(CN2CCC([NH+]3CCC(C(=O)NC[C@H]4CCCO4)CC3)CC2)cc1C ZINC000055107770 556734978 /nfs/dbraw/zinc/73/49/78/556734978.db2.gz VFYPJBSMZCXCAL-RUZDIDTESA-N 1 0 427.633 3.583 50 0 IHAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1cc3ccccc3s1)CC2)c1ccc(F)cc1 ZINC000019300015 556734947 /nfs/dbraw/zinc/73/49/47/556734947.db2.gz NDHWWRWDXJVYLZ-UHFFFAOYSA-N 1 0 449.555 3.663 50 0 IHAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)c3cccc(-c4ncc[nH]4)c3)C2)CC1 ZINC000055326496 556739976 /nfs/dbraw/zinc/73/99/76/556739976.db2.gz XVGVGMUEZNBOEH-HSZRJFAPSA-N 1 0 429.568 3.812 50 0 IHAARO CC[N@@H+](Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12)C[C@@H]1CCCO1 ZINC000055414843 556741077 /nfs/dbraw/zinc/74/10/77/556741077.db2.gz MVHZUDLDUHTFDG-QFIPXVFZSA-N 1 0 434.584 3.958 50 0 IHAARO O=C(Cn1c(=O)nc(-c2ccccc2)c2ccccc21)N1CC[NH+](C2CCCCC2)CC1 ZINC000033048957 556746179 /nfs/dbraw/zinc/74/61/79/556746179.db2.gz YIHIGSVKVCFOTF-UHFFFAOYSA-N 1 0 430.552 3.540 50 0 IHAARO O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000058289446 556777483 /nfs/dbraw/zinc/77/74/83/556777483.db2.gz DGEQSYKBYKMGAO-QGZVFWFLSA-N 1 0 426.483 3.634 50 0 IHAARO COc1ccccc1[C@@H](CNC(=O)CCCc1nc2ccccc2c(=O)[nH]1)[NH+]1CCCCC1 ZINC000059782454 556804471 /nfs/dbraw/zinc/80/44/71/556804471.db2.gz SLHFEZPQAXITRQ-JOCHJYFZSA-N 1 0 448.567 3.598 50 0 IHAARO COc1ccc(CN2C(=O)c3cccc(N4CC[NH+](Cc5ccccc5)CC4)c3C2=O)cc1 ZINC000064083862 556822731 /nfs/dbraw/zinc/82/27/31/556822731.db2.gz VRHKYEQNCHIWHJ-UHFFFAOYSA-N 1 0 441.531 3.814 50 0 IHAARO O=C(CCc1nc(C2=CCN(Cc3ccc(Cl)cc3)CC2)no1)NCc1cccnc1 ZINC000033069214 556850711 /nfs/dbraw/zinc/85/07/11/556850711.db2.gz MXUCKBVPTJDUSA-UHFFFAOYSA-N 1 0 437.931 3.656 50 0 IHAARO O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000020137863 556988783 /nfs/dbraw/zinc/98/87/83/556988783.db2.gz OLXHJRBQZQLCPW-GOSISDBHSA-N 1 0 425.754 3.664 50 0 IHAARO CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2cc3c(cc2Br)NC(=O)CO3)cc1 ZINC000097161951 556993867 /nfs/dbraw/zinc/99/38/67/556993867.db2.gz XTDXEWLZHZQKQJ-LBPRGKRZSA-N 1 0 432.318 3.632 50 0 IHAARO C[C@@H](C(=O)NCCC[N@H+](C)C1CCCCC1)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944867 557027749 /nfs/dbraw/zinc/02/77/49/557027749.db2.gz ZVOGXSMILYOAIJ-HNNXBMFYSA-N 1 0 438.494 3.747 50 0 IHAARO COc1cn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(C[NH+]2CCC(C)CC2)cc1=O ZINC000017245997 557044422 /nfs/dbraw/zinc/04/44/22/557044422.db2.gz XVNPAFHGEVNHLD-UHFFFAOYSA-N 1 0 437.462 3.746 50 0 IHAARO CN1CC[NH+](C2(CNC(=O)c3ccc4nc(-n5cccc5)sc4c3)CCCCC2)CC1 ZINC000022935505 557052317 /nfs/dbraw/zinc/05/23/17/557052317.db2.gz IVQLJYXQYZXHRH-UHFFFAOYSA-N 1 0 437.613 3.767 50 0 IHAARO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cnn(C)c1)[NH+](C)C ZINC000048309434 557059960 /nfs/dbraw/zinc/05/99/60/557059960.db2.gz RSTMJSFSHLABPE-GOSISDBHSA-N 1 0 433.405 3.504 50 0 IHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2cccc(CS(C)(=O)=O)c2)C1 ZINC000048340007 557070196 /nfs/dbraw/zinc/07/01/96/557070196.db2.gz OLARBZWORBYQPL-RTBURBONSA-N 1 0 428.598 3.639 50 0 IHAARO CCn1ncc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)c1C ZINC000023231805 557075713 /nfs/dbraw/zinc/07/57/13/557075713.db2.gz GNXJFAFXXXITRA-XMMPIXPASA-N 1 0 437.632 3.548 50 0 IHAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)CN1Cc1ccccc1 ZINC000023362476 557087950 /nfs/dbraw/zinc/08/79/50/557087950.db2.gz DHIGFOJAUUCUCU-RSXGOPAZSA-N 1 0 429.564 3.744 50 0 IHAARO CC(C)c1ccc(N2CCN(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000049026385 557088257 /nfs/dbraw/zinc/08/82/57/557088257.db2.gz BRPZTZJUQUIDNJ-UHFFFAOYSA-N 1 0 434.584 3.833 50 0 IHAARO CCc1cccc(-n2nnc(C(=O)N3CCC([NH+]4CCCCC4)CC3)c2-c2cccnc2)c1 ZINC000049003707 557091773 /nfs/dbraw/zinc/09/17/73/557091773.db2.gz IQZMSNLKVOWMJY-UHFFFAOYSA-N 1 0 444.583 3.982 50 0 IHAARO COc1cc(Br)c(OC)c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000023445377 557092386 /nfs/dbraw/zinc/09/23/86/557092386.db2.gz ZMEDMSFTGKFLQW-UHFFFAOYSA-N 1 0 433.346 3.992 50 0 IHAARO Cc1nc2scc(-c3cccs3)c2c(NC[C@H]([C@H]2CCOC2)[NH+]2CCOCC2)n1 ZINC000024204159 557140821 /nfs/dbraw/zinc/14/08/21/557140821.db2.gz YCCYODKOGVYWTI-DOTOQJQBSA-N 1 0 430.599 3.877 50 0 IHAARO O=C(CCCn1cnc2ccccc2c1=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000025058449 557192949 /nfs/dbraw/zinc/19/29/49/557192949.db2.gz RVMQWLNTVHMRGR-UHFFFAOYSA-N 1 0 438.959 3.611 50 0 IHAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)CCCN2CCOCC2)c(F)c1 ZINC000096806824 557205552 /nfs/dbraw/zinc/20/55/52/557205552.db2.gz SEBPBDBDYDHAEA-UHFFFAOYSA-N 1 0 438.547 3.841 50 0 IHAARO O=C(/C=C/c1ccccc1)N1CCC(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000025384359 557206677 /nfs/dbraw/zinc/20/66/77/557206677.db2.gz OYWGSKNWCALNBB-NELJVSICSA-N 1 0 437.609 3.953 50 0 IHAARO Cc1ccc(NC(=O)[C@@H]([NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)c2ccccc2)cc1 ZINC000025672248 557221328 /nfs/dbraw/zinc/22/13/28/557221328.db2.gz RBYMEWREEWPKJW-NRFANRHFSA-N 1 0 434.540 3.519 50 0 IHAARO C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@]4(O)[C@@H](C[C@H]5[C@@H]4C[C@@H](O)[C@H]4C[C@H](O)CC[C@]54C)[C@@H]3C[N@@H+]2C1 ZINC000100152295 557243799 /nfs/dbraw/zinc/24/37/99/557243799.db2.gz NQGYOUYEGZOZBN-CVRHRUSYSA-N 1 0 431.661 3.678 50 0 biogenic IHAARO Cc1ccnn1CCC(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000014971442 557268763 /nfs/dbraw/zinc/26/87/63/557268763.db2.gz UUKRETOUTBWGNO-QHCPKHFHSA-N 1 0 442.579 3.641 50 0 IHAARO O=c1occ(C[NH+]2CCN(c3ccccc3)CC2)c([O-])c1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000101373663 557280694 /nfs/dbraw/zinc/28/06/94/557280694.db2.gz XNFOGJBUODMBFK-JOCHJYFZSA-N 1 0 445.563 3.657 50 0 IHAARO CCC[NH+]1CCN([C@H](C)CCCN(C(=O)[C@@H]2CCCN(c3nccs3)C2)C2CC2)CC1 ZINC000072305492 557284961 /nfs/dbraw/zinc/28/49/61/557284961.db2.gz NOJYUJDIGHHQLA-NHCUHLMSSA-N 1 0 447.693 3.547 50 0 IHAARO COc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](CC(C)C)C[C@H](C)O ZINC000105004174 557471209 /nfs/dbraw/zinc/47/12/09/557471209.db2.gz BDYWWGJTTAKZBT-AZUAARDMSA-N 1 0 446.613 3.600 50 0 IHAARO CC(C)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C[C@H](C)O ZINC000105003940 557471213 /nfs/dbraw/zinc/47/12/13/557471213.db2.gz RVOIEJHYSPVKGM-LAUBAEHRSA-N 1 0 434.577 3.731 50 0 IHAARO CSCC[C@@H]1C[C@H](C(=O)Nc2ccc(F)cc2)[C@@]2([NH2+]1)C(=O)Nc1ccc(Cl)cc12 ZINC000106807729 557532724 /nfs/dbraw/zinc/53/27/24/557532724.db2.gz JOHRRPUZINTVMC-QLVMHMETSA-N 1 0 433.936 3.996 50 0 IHAARO COc1cccc(NC(=O)COc2ccc(C(=O)NCC[N@@H+]3CCCC(C)(C)C3)cc2)c1 ZINC000225529103 557737031 /nfs/dbraw/zinc/73/70/31/557737031.db2.gz YDWCDPFNCZPTTI-UHFFFAOYSA-N 1 0 439.556 3.565 50 0 IHAARO CO[C@H]1[C@H](NC(=O)CSC)c2ccccc2C12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000014989245 557835576 /nfs/dbraw/zinc/83/55/76/557835576.db2.gz LNBXNAPZJUUFJS-PKTZIBPZSA-N 1 0 428.573 3.908 50 0 IHAARO COc1cccc(-c2nnc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2Cc2ccccc2)c1OC ZINC000239366931 557844337 /nfs/dbraw/zinc/84/43/37/557844337.db2.gz AGUDQAWLMIOHIC-HXUWFJFHSA-N 1 0 433.556 3.685 50 0 IHAARO C[NH+](C)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Br)c1 ZINC000002410217 562927436 /nfs/dbraw/zinc/92/74/36/562927436.db2.gz FTNXQDJBKPYHEB-SFHVURJKSA-N 1 0 427.298 3.662 50 0 IHAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CN1c2cc(C)ccc2Oc2ncccc2C1=O ZINC000008590311 562951614 /nfs/dbraw/zinc/95/16/14/562951614.db2.gz LXHDEMCRAJWESX-IBGZPJMESA-N 1 0 436.556 3.913 50 0 IHAARO CCCn1c2ccccc2c2cnn(CC(=O)NCCC[NH+]3[C@@H](C)CCC[C@@H]3C)c(=O)c21 ZINC000009153433 562967955 /nfs/dbraw/zinc/96/79/55/562967955.db2.gz NXGXAXBRCLUEFB-OALUTQOASA-N 1 0 437.588 3.530 50 0 IHAARO CC1(C)CC(NC(=O)COc2cc3oc(=O)c4c(c3cc2Cl)CCC4)CC(C)(C)[NH2+]1 ZINC000009488435 562971862 /nfs/dbraw/zinc/97/18/62/562971862.db2.gz GCKNRXAFOUHCRK-UHFFFAOYSA-N 1 0 432.948 3.739 50 0 IHAARO COc1cccc(/C=C2/Sc3ccc(C(=O)NCCC[NH+]4CCCC4)cc3NC2=O)c1 ZINC000015880021 563018223 /nfs/dbraw/zinc/01/82/23/563018223.db2.gz MROUMGHYRREOGE-PXLXIMEGSA-N 1 0 437.565 3.996 50 0 IHAARO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982486 568622632 /nfs/dbraw/zinc/62/26/32/568622632.db2.gz GVYBIILDKXIMDE-FCHUYYIVSA-N 1 0 428.504 3.525 50 0 IHAARO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982484 568622691 /nfs/dbraw/zinc/62/26/91/568622691.db2.gz GVYBIILDKXIMDE-FGZHOGPDSA-N 1 0 428.504 3.525 50 0 IHAARO CCOC[C@@H](O)C[N@@H+](Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983034 568623842 /nfs/dbraw/zinc/62/38/42/568623842.db2.gz YEHOHOVGEQICLD-RBBKRZOGSA-N 1 0 432.948 3.741 50 0 IHAARO COc1cc(C[NH2+]C[C@@H](c2cccs2)N2CCOCC2)cc(OC)c1OC(F)F ZINC000025261355 568649610 /nfs/dbraw/zinc/64/96/10/568649610.db2.gz RGXSBJJHBFEZJE-HNNXBMFYSA-N 1 0 428.501 3.530 50 0 IHAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2CCc2nc3cc(Cl)ccc3[nH]2)c1 ZINC000299788671 568757747 /nfs/dbraw/zinc/75/77/47/568757747.db2.gz ZHIBYDWMLYCMTJ-SFHVURJKSA-N 1 0 426.948 3.938 50 0 IHAARO CN(C)S(=O)(=O)c1cccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)c1 ZINC000083852283 568783027 /nfs/dbraw/zinc/78/30/27/568783027.db2.gz SDDXZIYNIZVFET-JOCHJYFZSA-N 1 0 430.595 3.734 50 0 IHAARO C[C@]1(C(=O)NC2CCCC2)Cn2c3ccsc3cc2C(=O)N1CC[NH+]1CCCCCC1 ZINC000015672709 568803234 /nfs/dbraw/zinc/80/32/34/568803234.db2.gz JKQNGXCUWDGQAG-XMMPIXPASA-N 1 0 442.629 3.852 50 0 IHAARO C[NH+](C)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015678246 568804794 /nfs/dbraw/zinc/80/47/94/568804794.db2.gz NTVDOEUKRRBIPQ-VWLOTQADSA-N 1 0 440.588 3.753 50 0 IHAARO C[C@H](C(=O)NCC1CC[NH+](Cc2cccc(Cl)c2)CC1)N1Cc2ccccc2C1=O ZINC000015679155 568805450 /nfs/dbraw/zinc/80/54/50/568805450.db2.gz ZWBAJXNTQUQSFC-QGZVFWFLSA-N 1 0 425.960 3.713 50 0 IHAARO O=C(C1CCN(c2ccc(-c3cccs3)nn2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000015734796 568816493 /nfs/dbraw/zinc/81/64/93/568816493.db2.gz IGFJKTCWVPQITA-UHFFFAOYSA-N 1 0 439.629 3.898 50 0 IHAARO CCOC(=O)c1nc2ccccc2c(NCCC[NH+]2CCN(c3ccc(F)cc3)CC2)n1 ZINC000015784066 568826777 /nfs/dbraw/zinc/82/67/77/568826777.db2.gz IXWHONIARBXOBJ-UHFFFAOYSA-N 1 0 437.519 3.570 50 0 IHAARO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H](C(C)C)[NH2+][C@@]23C(=O)Nc2c3cccc2Cl)c1 ZINC000015973351 568861537 /nfs/dbraw/zinc/86/15/37/568861537.db2.gz FWLWZNRQCPFTRS-XSSDXNQZSA-N 1 0 443.931 3.777 50 0 IHAARO C[NH+](C)CCNC(=O)c1coc(CN(Cc2ccccc2)Cc2cccc(Cl)c2)n1 ZINC000036072290 568946078 /nfs/dbraw/zinc/94/60/78/568946078.db2.gz NJOLSOISZZQVOC-UHFFFAOYSA-N 1 0 426.948 3.822 50 0 IHAARO CCOC(=O)C1C(C[N@@H+]2CC[C@H](c3ccc(C)cc3)C2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000036155617 568966338 /nfs/dbraw/zinc/96/63/38/568966338.db2.gz JQWZHDIXPODQQK-RDPSFJRHSA-N 1 0 449.551 3.664 50 0 IHAARO Cc1nc2cc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)ccc2n(Cc2ccccc2)c1=O ZINC000064859395 568972473 /nfs/dbraw/zinc/97/24/73/568972473.db2.gz SVJCMVLMHCXHKJ-IBGZPJMESA-N 1 0 432.568 3.748 50 0 IHAARO CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681033 568991478 /nfs/dbraw/zinc/99/14/78/568991478.db2.gz UNUUSPPVXPCZOS-FPOVZHCZSA-N 1 0 435.465 3.844 50 0 IHAARO Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@@H](C)O)C2CC2)c(C)c1 ZINC000036309393 568995837 /nfs/dbraw/zinc/99/58/37/568995837.db2.gz PEBKOSGAWPWCHE-WIYYLYMNSA-N 1 0 428.598 3.715 50 0 IHAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C[C@H](C)O ZINC000036309286 568995920 /nfs/dbraw/zinc/99/59/20/568995920.db2.gz LWWJOYCBEKARIC-JXFKEZNVSA-N 1 0 437.005 3.999 50 0 IHAARO O=C(c1cc2n(n1)C[C@@H](c1ccc(Cl)cc1)OC2)N1CC[NH+](C2CCCCC2)CC1 ZINC000169759577 569094070 /nfs/dbraw/zinc/09/40/70/569094070.db2.gz FZZNMPPGFUTVFH-QFIPXVFZSA-N 1 0 428.964 3.899 50 0 IHAARO COc1cccc2cc(C(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)c(=O)oc21 ZINC000036393747 569098588 /nfs/dbraw/zinc/09/85/88/569098588.db2.gz SNVLOPWAHAGDBP-UHFFFAOYSA-N 1 0 426.900 3.849 50 0 IHAARO CCc1cccc(-n2nnc(C(=O)N3CCC([NH+]4CCCCC4)CC3)c2-c2ccncc2)c1 ZINC000065083199 569102195 /nfs/dbraw/zinc/10/21/95/569102195.db2.gz FYZOONGMSXPLRF-UHFFFAOYSA-N 1 0 444.583 3.982 50 0 IHAARO COc1cc(C[NH+]2CCC(C(=O)NC[C@@H]3CCCO3)CC2)ccc1OCc1ccccc1 ZINC000006906973 569105973 /nfs/dbraw/zinc/10/59/73/569105973.db2.gz VXIUYMIGNBAROM-QHCPKHFHSA-N 1 0 438.568 3.781 50 0 IHAARO COc1ccc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000065153606 569111966 /nfs/dbraw/zinc/11/19/66/569111966.db2.gz ZEUXMTPJQNLYFL-UHFFFAOYSA-N 1 0 446.551 3.572 50 0 IHAARO CCn1ncc(-c2noc3nc(C4CC4)cc(C(=O)N[C@H](C)C[NH+]4CCCCC4)c32)c1C ZINC000036619157 569124679 /nfs/dbraw/zinc/12/46/79/569124679.db2.gz PYKBXEJMOPBSMI-OAHLLOKOSA-N 1 0 436.560 3.896 50 0 IHAARO Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)NCC[N@H+](Cc1ccco1)C1CCCC1 ZINC000065329728 569136946 /nfs/dbraw/zinc/13/69/46/569136946.db2.gz WTAOERMZYOXEAC-UHFFFAOYSA-N 1 0 440.544 3.722 50 0 IHAARO COc1cc(OC)c(NC(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1Cl ZINC000065566509 569139373 /nfs/dbraw/zinc/13/93/73/569139373.db2.gz SMNAMPKCTASXSY-HUUCEWRRSA-N 1 0 425.957 3.710 50 0 IHAARO Cc1cccc(-c2nnc(-c3ccc(C(=O)N4CCC[N@H+](CC(C)(C)O)CC4)cc3)o2)c1 ZINC000170602442 569143304 /nfs/dbraw/zinc/14/33/04/569143304.db2.gz JXLLDBGMAGQURV-UHFFFAOYSA-N 1 0 434.540 3.631 50 0 IHAARO C[C@](O)(CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F)c1ccc(F)cc1F ZINC000170614653 569146355 /nfs/dbraw/zinc/14/63/55/569146355.db2.gz GEEZRRSRBUBAPW-MMOPVJDHSA-N 1 0 442.428 3.599 50 0 IHAARO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(N2CCCC2=O)ccc1F ZINC000089977227 569169410 /nfs/dbraw/zinc/16/94/10/569169410.db2.gz XWKKFGAZXXLKHU-HXUWFJFHSA-N 1 0 439.531 3.785 50 0 IHAARO C[NH+]1CCN(c2nc3nn(Cc4ccccc4)c(N)c3c(-c3cccc(Cl)c3)n2)CC1 ZINC000037359590 569177711 /nfs/dbraw/zinc/17/77/11/569177711.db2.gz LIWGVRAOEBGDNX-UHFFFAOYSA-N 1 0 433.947 3.529 50 0 IHAARO CCOC(=O)C1([C@@H](C)[NH2+]CC[C@@](C)(O)c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000252504218 569188198 /nfs/dbraw/zinc/18/81/98/569188198.db2.gz VIIZRUZVQXGLLA-NTKDMRAZSA-N 1 0 448.604 3.843 50 0 IHAARO Cc1noc(C)c1C(=O)N1CCC([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000252510194 569188514 /nfs/dbraw/zinc/18/85/14/569188514.db2.gz ZDKLRSWZAUIXOK-UHFFFAOYSA-N 1 0 436.478 3.737 50 0 IHAARO Cc1oc(-c2ccccc2F)nc1C[S@@](=O)CC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000037407919 569195203 /nfs/dbraw/zinc/19/52/03/569195203.db2.gz DZLBCKZQEUSZIH-KEGLGMRESA-N 1 0 449.592 3.522 50 0 IHAARO Cc1oc(-c2ccccc2F)nc1C[S@@](=O)CC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000037407920 569195252 /nfs/dbraw/zinc/19/52/52/569195252.db2.gz DZLBCKZQEUSZIH-AAFFQKGLSA-N 1 0 449.592 3.522 50 0 IHAARO CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000195529363 569204242 /nfs/dbraw/zinc/20/42/42/569204242.db2.gz LHKGYABLQQHGOD-QFBILLFUSA-N 1 0 428.964 3.825 50 0 IHAARO CCC[N@H+](CC(=O)Nc1cccc(I)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000252679846 569210651 /nfs/dbraw/zinc/21/06/51/569210651.db2.gz SAZXOMCXQUIHQK-NXHRZFHOSA-N 1 0 442.341 3.755 50 0 IHAARO O=C(NC1CCCCC1)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000581820106 569211725 /nfs/dbraw/zinc/21/17/25/569211725.db2.gz RHBXDKSPQBJZGV-DEOSSOPVSA-N 1 0 440.632 3.865 50 0 IHAARO COCCOc1ccc(CNc2ccc(CN3CC[NH+](C)CC3)c(Br)c2)cc1 ZINC000253428068 569267547 /nfs/dbraw/zinc/26/75/47/569267547.db2.gz GRRNXZRWVIZZHF-UHFFFAOYSA-N 1 0 448.405 3.834 50 0 IHAARO CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)cc1OCC ZINC000002431284 569303331 /nfs/dbraw/zinc/30/33/31/569303331.db2.gz KGIWAVQQZHESFF-QFIPXVFZSA-N 1 0 436.508 3.697 50 0 IHAARO COc1ccc(CN2CCN(Cc3ccc(C[NH+]4CCCC4)s3)C[C@@H]2CCO)cc1C ZINC000019301026 569317573 /nfs/dbraw/zinc/31/75/73/569317573.db2.gz IJNMQTVMEAXFOU-QFIPXVFZSA-N 1 0 443.657 3.730 50 0 IHAARO CC[NH+](CC)CCNC(=O)CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21 ZINC000020181151 569355331 /nfs/dbraw/zinc/35/53/31/569355331.db2.gz CFMMUCPEDIJCSR-QNGOZBTKSA-N 1 0 427.545 3.764 50 0 IHAARO CCOc1ccccc1/C=C/C(=O)NCC(=O)N1CCC([N@H+](C)C2CCCCCC2)CC1 ZINC000020241425 569357887 /nfs/dbraw/zinc/35/78/87/569357887.db2.gz QJSOQSPHXWUTHG-CCEZHUSRSA-N 1 0 441.616 3.860 50 0 IHAARO Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000095427337 569366005 /nfs/dbraw/zinc/36/60/05/569366005.db2.gz BAAGPUPMJNWUNK-LOSJGSFVSA-N 1 0 444.579 3.955 50 0 IHAARO COc1ccc(C[N@@H+]2CCCN(Cc3cc(OC)c(O)cc3Br)CC2)cc1 ZINC000095453788 569368204 /nfs/dbraw/zinc/36/82/04/569368204.db2.gz CJURILNEKWSWNK-UHFFFAOYSA-N 1 0 435.362 3.880 50 0 IHAARO C[NH+](C)C1CCN(c2ccc(NC(=O)Cc3cc(Cl)c4c(c3)OCCO4)cc2)CC1 ZINC000095460130 569369606 /nfs/dbraw/zinc/36/96/06/569369606.db2.gz KQCFGWNTLJOWCI-UHFFFAOYSA-N 1 0 429.948 3.823 50 0 IHAARO CCOc1ccc(C[C@@H](C[NH2+]Cc2ccccc2OC[C@H]2CCCO2)C(=O)OC)cc1 ZINC000095467746 569371220 /nfs/dbraw/zinc/37/12/20/569371220.db2.gz PJXUKEBVCJHWAX-JTHBVZDNSA-N 1 0 427.541 3.765 50 0 IHAARO Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N4CC[C@@H]5CC[N@@H+](C)C[C@@H]54)cc3)ccc12 ZINC000095995831 569378735 /nfs/dbraw/zinc/37/87/35/569378735.db2.gz PHHBXESXRAPPAS-CVDCTZTESA-N 1 0 432.520 3.847 50 0 IHAARO CCC[NH+](CCC)CCCNC(=O)c1nn(-c2ccccc2OC)c(=O)c2ccccc21 ZINC000002943904 569426890 /nfs/dbraw/zinc/42/68/90/569426890.db2.gz DNHRQRQGFNVNTQ-UHFFFAOYSA-N 1 0 436.556 3.636 50 0 IHAARO O=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1c(F)cccc1F ZINC000029155544 569427662 /nfs/dbraw/zinc/42/76/62/569427662.db2.gz JVRYEECTSNGSLZ-UHFFFAOYSA-N 1 0 427.417 3.926 50 0 IHAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)CCN2C(=O)COc3ccccc32)cc1 ZINC000031078109 569453226 /nfs/dbraw/zinc/45/32/26/569453226.db2.gz BUADPDMQGGNUEY-UHFFFAOYSA-N 1 0 443.547 3.847 50 0 IHAARO CCOc1cc(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(-c2ccccc2)c1OC ZINC000032297475 569461116 /nfs/dbraw/zinc/46/11/16/569461116.db2.gz UYOMLRJTDLRRAZ-KDURUIRLSA-N 1 0 426.557 3.990 50 0 IHAARO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2NC(=O)CCc2ccc3c(c2)OCO3)CC1 ZINC000040017342 569482641 /nfs/dbraw/zinc/48/26/41/569482641.db2.gz QBIOJNBKSYKAIH-UHFFFAOYSA-N 1 0 435.446 3.757 50 0 IHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1occc1CS(=O)(=O)c1ccccc1 ZINC000040019883 569482694 /nfs/dbraw/zinc/48/26/94/569482694.db2.gz OLGYYKLPLOLFNO-UHFFFAOYSA-N 1 0 438.549 3.779 50 0 IHAARO CCn1c2ccc(C(=O)NCc3ccc(C[NH+]4CCC(C)CC4)cc3)cc2nc(C)c1=O ZINC000040060384 569484867 /nfs/dbraw/zinc/48/48/67/569484867.db2.gz NZBVVAPJFWCEGM-UHFFFAOYSA-N 1 0 432.568 3.887 50 0 IHAARO CCOC(=O)C[C@H](c1ccccc1)C1CC[NH+](CC(=O)NC(=O)NC2CCCCC2)CC1 ZINC000040139331 569490808 /nfs/dbraw/zinc/49/08/08/569490808.db2.gz GNNHFBGLUKPGIE-JOCHJYFZSA-N 1 0 443.588 3.594 50 0 IHAARO CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCc2cccc(C[NH+](CC)CC)c2)c1 ZINC000040139415 569490875 /nfs/dbraw/zinc/49/08/75/569490875.db2.gz DXJPTVDRCSHADZ-UHFFFAOYSA-N 1 0 445.629 3.797 50 0 IHAARO C[C@H](CNC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)C[NH+]1CCCCC1 ZINC000040157534 569494314 /nfs/dbraw/zinc/49/43/14/569494314.db2.gz ZQGRVIBRTJOMRZ-CXAGYDPISA-N 1 0 429.508 3.747 50 0 IHAARO CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1 ZINC000040160691 569495118 /nfs/dbraw/zinc/49/51/18/569495118.db2.gz GZNFRCKLBVELQI-VWNXMTODSA-N 1 0 430.564 3.526 50 0 IHAARO C[NH+](C)[C@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cccs1 ZINC000069352408 569502217 /nfs/dbraw/zinc/50/22/17/569502217.db2.gz HPLOVMKAUMESAU-XJKSGUPXSA-N 1 0 425.476 3.539 50 0 IHAARO CC1=C(C(=O)Nc2ccccc2C(=O)N2CCC([NH+]3CCCCC3)CC2)SCCO1 ZINC000009115087 569502710 /nfs/dbraw/zinc/50/27/10/569502710.db2.gz DSLIFMPOPHJTGQ-UHFFFAOYSA-N 1 0 429.586 3.711 50 0 IHAARO COc1ccc([C@H](CNC(=O)CNC(=O)c2sc3ccccc3c2Cl)[NH+](C)C)cc1 ZINC000009126044 569504825 /nfs/dbraw/zinc/50/48/25/569504825.db2.gz JQLCHURVHRLVRY-KRWDZBQOSA-N 1 0 445.972 3.712 50 0 IHAARO COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(C1CC(C)(C)[NH2+]C(C)(C)C1)C3 ZINC000009134832 569507096 /nfs/dbraw/zinc/50/70/96/569507096.db2.gz LXGJKACOQSEBDF-UHFFFAOYSA-N 1 0 442.556 3.586 50 0 IHAARO COC(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3c(cc(F)cc3F)s2)cc1 ZINC000009151944 569507681 /nfs/dbraw/zinc/50/76/81/569507681.db2.gz SIHHNVRCEROIEK-UHFFFAOYSA-N 1 0 433.480 3.960 50 0 IHAARO C[C@@H](Oc1ccc(C(=O)NCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cn1)c1ccccc1 ZINC000069621358 569509884 /nfs/dbraw/zinc/50/98/84/569509884.db2.gz XAQUWSHPQWWRIG-PXDATVDWSA-N 1 0 444.579 3.940 50 0 IHAARO CCOC(=O)c1cc2cc(NC(=O)NC[C@@H]([C@@H]3CCOC3)[NH+]3CCCC3)ccc2s1 ZINC000069951175 569525343 /nfs/dbraw/zinc/52/53/43/569525343.db2.gz WRWOQKVVLPKIGZ-QAPCUYQASA-N 1 0 431.558 3.700 50 0 IHAARO COc1ccc(Cl)c2sc(N(CC[NH+](C)C)C(=O)Cc3ccc4c(c3)OCO4)nc21 ZINC000009521175 569544427 /nfs/dbraw/zinc/54/44/27/569544427.db2.gz DEFZDFXYRVELOH-UHFFFAOYSA-N 1 0 447.944 3.824 50 0 IHAARO Cc1cccc(C)c1-n1nnnc1SCC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000009620375 569553418 /nfs/dbraw/zinc/55/34/18/569553418.db2.gz DOWWNZHOHFRNLZ-UHFFFAOYSA-N 1 0 442.633 3.676 50 0 IHAARO CCCC[N@H+](CC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000009835806 569570696 /nfs/dbraw/zinc/57/06/96/569570696.db2.gz FIBQMZRWOABZQK-DNQXCXABSA-N 1 0 437.584 3.844 50 0 IHAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)CCc1c(C)nc2cc(C)nn2c1C ZINC000057766241 569583940 /nfs/dbraw/zinc/58/39/40/569583940.db2.gz BLQNABXKARVLAT-UHFFFAOYSA-N 1 0 447.587 3.917 50 0 IHAARO Cn1cc([C@H](CNS(=O)(=O)c2cccc(C(F)(F)F)c2)[NH+](C)C)c2ccccc21 ZINC000077171694 569585757 /nfs/dbraw/zinc/58/57/57/569585757.db2.gz MCLQNSDDRNQTAT-IBGZPJMESA-N 1 0 425.476 3.778 50 0 IHAARO COc1cc2[nH]c3c(ncnc3N3CC[NH+](C/C=C/c4ccccc4)CC3)c2cc1OC ZINC000002417590 132254149 /nfs/dbraw/zinc/25/41/49/132254149.db2.gz DDHCTMXZQBYMSE-RMKNXTFCSA-N 1 0 429.524 3.964 50 0 IHAARO CCOC(=O)c1c(C)oc2nc(C)nc(NCCC[NH+]3CCN(c4ccccc4)CC3)c21 ZINC000008597032 132285554 /nfs/dbraw/zinc/28/55/54/132285554.db2.gz RVQBJYSSFNOIHV-UHFFFAOYSA-N 1 0 437.544 3.641 50 0 IHAARO O=C(c1cnn(-c2ccccc2)c1C1CC[NH2+]CC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000009227340 132309896 /nfs/dbraw/zinc/30/98/96/132309896.db2.gz YZEQJAZAADOQCV-UHFFFAOYSA-N 1 0 449.986 3.955 50 0 IHAARO CC(C)[NH+]1CCC(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)CC1 ZINC000012797111 519672592 /nfs/dbraw/zinc/67/25/92/519672592.db2.gz WESMAHIQQQYQMG-UHFFFAOYSA-N 1 0 435.977 3.743 50 0 IHAARO CC(C)[C@H]([NH2+][C@@H](C)C(=O)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000012606185 519821410 /nfs/dbraw/zinc/82/14/10/519821410.db2.gz IDMYFKWBUNGMFA-CPJSRVTESA-N 1 0 437.584 3.872 50 0 IHAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc3c(c2)CN(Cc2ccco2)CCO3)C1 ZINC000012167944 520539287 /nfs/dbraw/zinc/53/92/87/520539287.db2.gz FENWKXCDZNOOOS-NRFANRHFSA-N 1 0 425.573 3.755 50 0 IHAARO CC[NH+](CC)CCNC(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000021212760 520679027 /nfs/dbraw/zinc/67/90/27/520679027.db2.gz KRSADPPNCPPIKC-OAHLLOKOSA-N 1 0 444.626 3.731 50 0 IHAARO CC[NH+](CC)[C@@H](CNC(=O)CNC(=O)c1ccc2ccccc2c1)c1cccc(OC)c1 ZINC000022700669 520831940 /nfs/dbraw/zinc/83/19/40/520831940.db2.gz CEAPOQSKSINANA-DEOSSOPVSA-N 1 0 433.552 3.778 50 0 IHAARO CC1=C(CC[N@H+]2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)C(C)(C)CCC1 ZINC000012165637 520840736 /nfs/dbraw/zinc/84/07/36/520840736.db2.gz ZHRZWKHLMZVDQX-LJQANCHMSA-N 1 0 443.636 3.657 50 0 IHAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2cnn(-c3nccc(-c4ccc(C)o4)n3)c2C2CC2)C1 ZINC000012192509 520872376 /nfs/dbraw/zinc/87/23/76/520872376.db2.gz CWSXRKORCXLCDX-SFHVURJKSA-N 1 0 434.544 3.664 50 0 IHAARO CCOc1ccc(C[NH+]2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cc1CO ZINC000012590322 520969356 /nfs/dbraw/zinc/96/93/56/520969356.db2.gz LAIUVXCWKZRGGH-UHFFFAOYSA-N 1 0 438.568 3.857 50 0 IHAARO CC[N@H+](CCCNC(=O)c1cccn1-c1nnc(N2CCCC2)s1)Cc1ccccc1 ZINC000021535234 521022435 /nfs/dbraw/zinc/02/24/35/521022435.db2.gz IQWGVHCRRCYFKB-UHFFFAOYSA-N 1 0 438.601 3.571 50 0 IHAARO CCOC(=O)[C@H]1CCC[N@H+](C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000036046345 521299078 /nfs/dbraw/zinc/29/90/78/521299078.db2.gz ZVKLRSXGRVQHCN-UGKGYDQZSA-N 1 0 433.495 3.707 50 0 IHAARO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@H+](Cc2ccccc2OCCO)C1 ZINC000015063132 521353921 /nfs/dbraw/zinc/35/39/21/521353921.db2.gz LDBWEYVJMGUJGD-VWLOTQADSA-N 1 0 427.541 3.672 50 0 IHAARO CCOC(=O)c1[nH]c(C)c(C(=O)N(C)CC2CC[NH+](CCc3ccc(F)cc3)CC2)c1C ZINC000012431152 521362684 /nfs/dbraw/zinc/36/26/84/521362684.db2.gz PIJOZMQJUOKIOH-UHFFFAOYSA-N 1 0 443.563 3.974 50 0 IHAARO CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000014531145 521527924 /nfs/dbraw/zinc/52/79/24/521527924.db2.gz IFRFSJSNMVUKTE-UHFFFAOYSA-N 1 0 425.504 3.653 50 0 IHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2nccc(-c3ccccc3F)n2)c1C1CC1 ZINC000012131618 521639555 /nfs/dbraw/zinc/63/95/55/521639555.db2.gz FESXOTOJFWSPHA-QGZVFWFLSA-N 1 0 434.519 3.560 50 0 IHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1C1CC1 ZINC000012122662 521656978 /nfs/dbraw/zinc/65/69/78/521656978.db2.gz LZUVGJZUIYMRMO-FQEVSTJZSA-N 1 0 442.567 3.519 50 0 IHAARO CC[NH+]1CCN(c2ccc(NC(=O)CCc3c(C)nc(SC)nc3C)cc2C)CC1 ZINC000012741886 521698334 /nfs/dbraw/zinc/69/83/34/521698334.db2.gz MQOMESCPASAXJA-UHFFFAOYSA-N 1 0 427.618 3.837 50 0 IHAARO COC(=O)c1ccc(C[NH+]2CCC(n3nccc3NC(=O)c3ccccc3OC)CC2)cc1 ZINC000012431938 522007004 /nfs/dbraw/zinc/00/70/04/522007004.db2.gz ADCMQRPHFSMGJJ-UHFFFAOYSA-N 1 0 448.523 3.768 50 0 IHAARO C[NH+](C)[C@H](CNC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1)c1cccc(F)c1 ZINC000022754771 522084304 /nfs/dbraw/zinc/08/43/04/522084304.db2.gz RSNWLXWFLKUCMT-HSZRJFAPSA-N 1 0 430.483 3.558 50 0 IHAARO COCC(=O)N1C[C@H](C[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](c2ccccc2OC)C1 ZINC000034698551 522757057 /nfs/dbraw/zinc/75/70/57/522757057.db2.gz VKGUOYYXVPIHIL-ZCYQVOJMSA-N 1 0 436.596 3.838 50 0 IHAARO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1N1CCOCC1)c1ccc(Br)cc1 ZINC000012555192 522816459 /nfs/dbraw/zinc/81/64/59/522816459.db2.gz VXMKRJJJQOLCNT-GOSISDBHSA-N 1 0 432.362 3.965 50 0 IHAARO COC(=O)CCCC(=O)N(Cc1cccnc1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000012308214 522952851 /nfs/dbraw/zinc/95/28/51/522952851.db2.gz GPTCWCMKUPSJKO-UHFFFAOYSA-N 1 0 437.584 3.974 50 0 IHAARO COc1cc2c(cc1OC)C[N@@H+](C1CCN(Cc3nc(-c4cccs4)no3)CC1)CC2 ZINC000012591506 523031494 /nfs/dbraw/zinc/03/14/94/523031494.db2.gz AKVNPFVILRRQSM-UHFFFAOYSA-N 1 0 440.569 3.838 50 0 IHAARO COc1ccc(-c2nc(C[NH+]3CCC(C(=O)N4CCCCC4)CC3)c(C)o2)cc1OC ZINC000012589359 523199836 /nfs/dbraw/zinc/19/98/36/523199836.db2.gz QJRIOSLXMKIJCH-UHFFFAOYSA-N 1 0 427.545 3.892 50 0 IHAARO COc1ccc(-n2nc3nc(NCC[NH+]4CCCC4)nc(-c4ccccc4)c3c2N)cc1 ZINC000035929450 523351073 /nfs/dbraw/zinc/35/10/73/523351073.db2.gz ZHORZGYBDFRTFX-UHFFFAOYSA-N 1 0 429.528 3.581 50 0 IHAARO CC[C@](C)(C(=O)Nc1cc(OC)cc(OC)c1)N(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(C)=O ZINC000033435687 523452129 /nfs/dbraw/zinc/45/21/29/523452129.db2.gz POZFQCFCTQXDEA-HFRGRHLUSA-N 1 0 445.604 3.924 50 0 IHAARO C[NH+]1CCC(N2CCC[C@@H](NC(=O)c3cccc4c3C(=O)c3cc(Cl)ccc3-4)C2)CC1 ZINC000012594843 523767285 /nfs/dbraw/zinc/76/72/85/523767285.db2.gz MVVUBVPCFJMPAZ-QGZVFWFLSA-N 1 0 437.971 3.840 50 0 IHAARO COc1ccc(CC(=O)Nc2ccc(N3CCC([NH2+]CC4CCOCC4)CC3)cc2)cc1 ZINC000012218357 523908297 /nfs/dbraw/zinc/90/82/97/523908297.db2.gz LTIWKCHFUTXSIE-UHFFFAOYSA-N 1 0 437.584 3.861 50 0 IHAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(Cc3nc(-c4ccccc4)no3)C2)cc1OC ZINC000020598747 523940422 /nfs/dbraw/zinc/94/04/22/523940422.db2.gz ZXTCJWGCOWPODW-OAQYLSRUSA-N 1 0 436.556 3.893 50 0 IHAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3c(C)nn(C)c3Cl)C2)c(OC)c1 ZINC000012709602 524048154 /nfs/dbraw/zinc/04/81/54/524048154.db2.gz BOCDJFUHENGPHO-KRWDZBQOSA-N 1 0 448.995 3.708 50 0 IHAARO C[C@@H]1CCC[N@H+](CCCNC(=O)CCC(=O)N2Cc3ccccc3Oc3ncccc32)C1 ZINC000020944273 524222081 /nfs/dbraw/zinc/22/20/81/524222081.db2.gz SHWADGJQERKLSW-LJQANCHMSA-N 1 0 436.556 3.739 50 0 IHAARO Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@@H+](Cc2cccnc2)CC3)c1 ZINC000012097626 524369788 /nfs/dbraw/zinc/36/97/88/524369788.db2.gz UYJXWMFHOROHQH-HSZRJFAPSA-N 1 0 446.599 3.865 50 0 IHAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)CCn2cnc3ccccc32)CC1 ZINC000012449209 524408193 /nfs/dbraw/zinc/40/81/93/524408193.db2.gz AXRUSMHQBYEYAH-UHFFFAOYSA-N 1 0 434.584 3.848 50 0 IHAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2cccc(-n3cccn3)c2)C1 ZINC000012757298 524408438 /nfs/dbraw/zinc/40/84/38/524408438.db2.gz TTWBRIJJYOULPG-OAQYLSRUSA-N 1 0 432.568 3.908 50 0 IHAARO Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NC3CC[NH+](C(C)C)CC3)cc2)c1C ZINC000012584613 524689590 /nfs/dbraw/zinc/68/95/90/524689590.db2.gz PPCDPRINCGPAQE-UHFFFAOYSA-N 1 0 429.586 3.707 50 0 IHAARO COc1ccccc1[C@H](CNC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C)[NH+]1CCCC1 ZINC000012791918 524790497 /nfs/dbraw/zinc/79/04/97/524790497.db2.gz FTDLFNIQEUXUTD-GMAHTHKFSA-N 1 0 441.547 3.542 50 0 IHAARO COc1ccc(OC)c(CC(=O)NC[C@H]2CCC3(CC[NH+](Cc4ccccc4)CC3)O2)c1 ZINC000011969593 524814581 /nfs/dbraw/zinc/81/45/81/524814581.db2.gz LLLBQGCYKXGTEM-HSZRJFAPSA-N 1 0 438.568 3.576 50 0 IHAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)c3cc(-c4ccsc4)n[nH]3)C2)CC1 ZINC000020598600 525222863 /nfs/dbraw/zinc/22/28/63/525222863.db2.gz XWKCVXHJQFGLKD-HXUWFJFHSA-N 1 0 435.597 3.873 50 0 IHAARO COc1ccc([C@H](CNC(=O)c2cccc(CN3CCCC3=O)c2)[NH+]2CCCCC2)cc1 ZINC000012911286 525358989 /nfs/dbraw/zinc/35/89/89/525358989.db2.gz AQXIJHMJPNCONF-DEOSSOPVSA-N 1 0 435.568 3.775 50 0 IHAARO Cc1ccn(CC(=O)N(Cc2cccnc2)CC2CC[NH+](Cc3ccccc3C)CC2)n1 ZINC000012304593 525594171 /nfs/dbraw/zinc/59/41/71/525594171.db2.gz BMUCFBBYVZTORM-UHFFFAOYSA-N 1 0 431.584 3.836 50 0 IHAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4cccc(N(C)C)c4)C3)C2)c1OC ZINC000012207516 525942368 /nfs/dbraw/zinc/94/23/68/525942368.db2.gz CCYBUJWXFCSQPY-SANMLTNESA-N 1 0 437.584 3.898 50 0 IHAARO Cc1ccc(C(=O)N2CCC(Oc3ccc(C(=O)NCC[NH+](C)C)cc3Cl)CC2)cc1 ZINC000014949032 526086863 /nfs/dbraw/zinc/08/68/63/526086863.db2.gz WRASTHJUGSAKTK-UHFFFAOYSA-N 1 0 443.975 3.623 50 0 IHAARO COc1cccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(C)cc2)c1 ZINC000035372941 526178709 /nfs/dbraw/zinc/17/87/09/526178709.db2.gz LENJFWIAOQJDBT-UHFFFAOYSA-N 1 0 436.581 3.999 50 0 IHAARO O=C(NCC[NH+]1CCCCC1)[C@@H]1CS[C@H](C2CCCCC2)N1C(=O)c1cccc(F)c1 ZINC000035703446 526307756 /nfs/dbraw/zinc/30/77/56/526307756.db2.gz MBZMDVZBNTXRPQ-XUZZJYLKSA-N 1 0 447.620 3.892 50 0 IHAARO Cc1nnsc1C(=O)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012440606 526440108 /nfs/dbraw/zinc/44/01/08/526440108.db2.gz NDYXMCDDPQDPEQ-LJQANCHMSA-N 1 0 432.565 3.519 50 0 IHAARO O=C([C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000035398665 526469902 /nfs/dbraw/zinc/46/99/02/526469902.db2.gz LVHAQLFKNLYQSC-JOCHJYFZSA-N 1 0 433.600 3.837 50 0 IHAARO O=C(CC[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1)NCc1cn2c(n1)SCC2 ZINC000020991914 526496547 /nfs/dbraw/zinc/49/65/47/526496547.db2.gz DWPNGUUCOTWYBI-JOCHJYFZSA-N 1 0 434.565 3.631 50 0 IHAARO O=C(c1ccc(N2CCC([NH2+]Cc3cccc(F)c3F)CC2)cc1)N1CCC[C@H](CO)C1 ZINC000012162461 526697585 /nfs/dbraw/zinc/69/75/85/526697585.db2.gz HZRIVVRJNILXNF-SFHVURJKSA-N 1 0 443.538 3.568 50 0 IHAARO O=C(CN1CCC[C@@H](c2nc3ccccc3s2)C1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012913613 526752320 /nfs/dbraw/zinc/75/23/20/526752320.db2.gz ZVTHZKNSRZHPIO-NHCUHLMSSA-N 1 0 434.609 3.866 50 0 IHAARO Cn1cc(CCNC(=O)c2ccc(OC3CC[NH+](CC(C)(C)C)CC3)c(Cl)c2)cn1 ZINC000012314145 527192314 /nfs/dbraw/zinc/19/23/14/527192314.db2.gz QUTASFAYXFBBCY-UHFFFAOYSA-N 1 0 432.996 3.935 50 0 IHAARO Cn1nnnc1SCC[NH2+]Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl ZINC000012763496 527660084 /nfs/dbraw/zinc/66/00/84/527660084.db2.gz SDNXUJPVVNSOEK-UHFFFAOYSA-N 1 0 443.939 3.737 50 0 IHAARO O=C(NCCC[NH+]1CCCCC1)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2 ZINC000021166999 527665058 /nfs/dbraw/zinc/66/50/58/527665058.db2.gz YCFLTJUPHMCVQN-UHFFFAOYSA-N 1 0 439.002 3.962 50 0 IHAARO COc1ccccc1N(C[C@H](O)C[NH+](CC(C)C)CC(C)C)S(=O)(=O)c1ccccc1 ZINC000002202194 555757437 /nfs/dbraw/zinc/75/74/37/555757437.db2.gz KHJXYZPJFVWUAI-OAQYLSRUSA-N 1 0 448.629 3.865 50 0 IHAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000002413946 555777091 /nfs/dbraw/zinc/77/70/91/555777091.db2.gz DXIZLNWLGWAYDJ-QFIPXVFZSA-N 1 0 448.519 3.857 50 0 IHAARO CCC[NH2+]Cc1cc(OC)c(OCC(=O)NCCc2ccccc2)cc1Br ZINC000002741172 555807458 /nfs/dbraw/zinc/80/74/58/555807458.db2.gz JSYGLVYJSUOLGW-UHFFFAOYSA-N 1 0 435.362 3.695 50 0 IHAARO COc1ccc(C[NH+]2CCC(N(C(C)=O)c3ccc(OC)c(OC)c3)CC2)c(OC)c1 ZINC000034682853 555817549 /nfs/dbraw/zinc/81/75/49/555817549.db2.gz PKGZLJVDJHEYHE-UHFFFAOYSA-N 1 0 428.529 3.739 50 0 IHAARO Brc1cccc(-c2nnc3sc(C[NH+]4CCC5(CC4)OCCO5)cn32)c1 ZINC000002467018 556110171 /nfs/dbraw/zinc/11/01/71/556110171.db2.gz XALBMQVNOHJKGF-UHFFFAOYSA-N 1 0 435.347 3.559 50 0 IHAARO COc1ccc(OC)c([N+]2=C3CCCCCN3[C@](O)(c3ccc(OC(F)F)cc3)C2)c1 ZINC000002974547 556152802 /nfs/dbraw/zinc/15/28/02/556152802.db2.gz SIANYSSKNPKONY-HSZRJFAPSA-N 1 0 433.475 3.956 50 0 IHAARO Cc1ccc2occ(C[N@@H+]3CCC[C@@H](CNC(=O)c4[nH]nc5ccccc54)C3)c(=O)c2c1 ZINC000011819270 556360948 /nfs/dbraw/zinc/36/09/48/556360948.db2.gz JTBZNAODSHWJSR-KRWDZBQOSA-N 1 0 430.508 3.620 50 0 IHAARO O=C(Nc1cccc(N2CCC([NH2+]C[C@H]3COc4ccccc4O3)CC2)c1)c1cccnc1 ZINC000011912767 556375545 /nfs/dbraw/zinc/37/55/45/556375545.db2.gz ZWZHNXFHSTZZHB-QHCPKHFHSA-N 1 0 444.535 3.732 50 0 IHAARO COc1ccccc1CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc3nsnc3c1)CC2 ZINC000011968043 556382198 /nfs/dbraw/zinc/38/21/98/556382198.db2.gz HGBUFMHWYSNPOO-IBGZPJMESA-N 1 0 436.581 3.661 50 0 IHAARO COc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2CCCN2CCCC2=O)C1 ZINC000011998671 556384891 /nfs/dbraw/zinc/38/48/91/556384891.db2.gz QYRFPBOTCQWPRS-QPPBQGQZSA-N 1 0 449.595 3.674 50 0 IHAARO CCn1nc(C)cc1C(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012030880 556388947 /nfs/dbraw/zinc/38/89/47/556388947.db2.gz JHLPMEGGCZKCCP-QFIPXVFZSA-N 1 0 442.579 3.884 50 0 IHAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CCC4)c2C)C1 ZINC000012052176 556392718 /nfs/dbraw/zinc/39/27/18/556392718.db2.gz PNHWAENXUNNNLE-NRFANRHFSA-N 1 0 444.583 3.683 50 0 IHAARO COCCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(SC)cc2)CN1Cc1ccc(Cl)cc1 ZINC000032577629 556404479 /nfs/dbraw/zinc/40/44/79/556404479.db2.gz BIVUAFRUMRDAHR-UNMCSNQZSA-N 1 0 448.032 3.557 50 0 IHAARO COc1ccc([C@H](CNC(=O)c2[nH]c(C)c(C(=O)OC(C)C)c2C)[NH+]2CCCC2)cc1 ZINC000014251825 556409268 /nfs/dbraw/zinc/40/92/68/556409268.db2.gz YKSYVAZMNNIRAH-FQEVSTJZSA-N 1 0 427.545 3.772 50 0 IHAARO CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+]([C@H]1CCc3ccccc3C1)CC2 ZINC000014532994 556421650 /nfs/dbraw/zinc/42/16/50/556421650.db2.gz QAVRSDKFGGLHOR-DEOSSOPVSA-N 1 0 446.595 3.894 50 0 IHAARO CC(C)CCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1ccsc1)CC2 ZINC000014536980 556423748 /nfs/dbraw/zinc/42/37/48/556423748.db2.gz BYCFRWXHMAJBFR-UHFFFAOYSA-N 1 0 426.586 3.988 50 0 IHAARO C[C@@H]([NH2+]CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cccc2ccccc21 ZINC000012995934 556431128 /nfs/dbraw/zinc/43/11/28/556431128.db2.gz CYCADOGFLYTUHA-LJQANCHMSA-N 1 0 431.536 3.564 50 0 IHAARO CC(C)CCN1C(=O)N(CCCc2ccncc2)C(=O)C12CC[NH+](Cc1ccncc1)CC2 ZINC000014746864 556441537 /nfs/dbraw/zinc/44/15/37/556441537.db2.gz APAOMHGBZJAQLR-UHFFFAOYSA-N 1 0 449.599 3.754 50 0 IHAARO COc1ccccc1CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cccc3nccnc13)CC2 ZINC000014882752 556454492 /nfs/dbraw/zinc/45/44/92/556454492.db2.gz OGTSVQUYJAVUSD-NRFANRHFSA-N 1 0 430.552 3.599 50 0 IHAARO C[NH+](C)Cc1ccccc1CNC(=O)Cn1c(COc2ccccc2)nc2ccccc21 ZINC000028643334 556457802 /nfs/dbraw/zinc/45/78/02/556457802.db2.gz CMOGGFWFZQVFHV-UHFFFAOYSA-N 1 0 428.536 3.993 50 0 IHAARO Cc1cnc(C[NH2+][C@H]2CCc3c(sc4ncn(CCCc5ccccc5)c(=O)c43)C2)cn1 ZINC000014955093 556461909 /nfs/dbraw/zinc/46/19/09/556461909.db2.gz BWCKNVZMBQVXLA-IBGZPJMESA-N 1 0 445.592 3.836 50 0 IHAARO COc1cc2cc(C[NH2+]Cc3cn(C)nc3C)c(=O)n(CC3CCCCC3)c2cc1OC ZINC000014983358 556471743 /nfs/dbraw/zinc/47/17/43/556471743.db2.gz USVXZMAEWDAJAD-UHFFFAOYSA-N 1 0 438.572 3.931 50 0 IHAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(C)c4C)C3)c(C)c2)CC1 ZINC000029374109 556473738 /nfs/dbraw/zinc/47/37/38/556473738.db2.gz WIQWTLZQEMYJFS-OAQYLSRUSA-N 1 0 434.584 3.745 50 0 IHAARO Cc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc12 ZINC000013557488 556517611 /nfs/dbraw/zinc/51/76/11/556517611.db2.gz WEQOPNJBCITECF-LJQANCHMSA-N 1 0 434.536 3.958 50 0 IHAARO CCC[NH+]1CCN(CCNC(=O)c2cccc(Nc3ccc(-c4ccccc4)nn3)c2)CC1 ZINC000033258021 556557446 /nfs/dbraw/zinc/55/74/46/556557446.db2.gz AUWSSXLBTMFWPV-UHFFFAOYSA-N 1 0 444.583 3.645 50 0 IHAARO COc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)cc1Cl ZINC000033326838 556562067 /nfs/dbraw/zinc/56/20/67/556562067.db2.gz RVDDMJNCLNDDOU-UHFFFAOYSA-N 1 0 444.967 3.791 50 0 IHAARO C[N@H+](CC1CC1)C[C@@H]1CCN(CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)C1 ZINC000072308995 556569131 /nfs/dbraw/zinc/56/91/31/556569131.db2.gz NVRMVWKLVWAEII-ICSRJNTNSA-N 1 0 426.586 3.683 50 0 IHAARO C[NH+](C)Cc1ccc(-c2ccccc2CNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000032909235 556572864 /nfs/dbraw/zinc/57/28/64/556572864.db2.gz CPVRHFWDIQGMIU-UHFFFAOYSA-N 1 0 449.576 3.778 50 0 IHAARO CCC[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)CC1 ZINC000022938998 556581652 /nfs/dbraw/zinc/58/16/52/556581652.db2.gz LKJBAPGLAIJNQO-UHFFFAOYSA-N 1 0 438.597 3.551 50 0 IHAARO CCN(Cc1cccn1C)Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1 ZINC000034836530 556583110 /nfs/dbraw/zinc/58/31/10/556583110.db2.gz OCXACUFRYZOCAN-UHFFFAOYSA-N 1 0 438.595 3.822 50 0 IHAARO CCOc1ccc(NC(=O)c2c(NC(=O)C[NH2+]C[C@H]3CCCO3)sc3c2CCC3)cc1 ZINC000016193290 556589062 /nfs/dbraw/zinc/58/90/62/556589062.db2.gz LYBZPSUHESOXIC-QGZVFWFLSA-N 1 0 443.569 3.595 50 0 IHAARO Cc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000016374509 556603585 /nfs/dbraw/zinc/60/35/85/556603585.db2.gz DBVNFZHYENEDFS-IBGZPJMESA-N 1 0 429.586 3.629 50 0 IHAARO COc1ccccc1N1CCC(N2CC[N@H+](CCCc3ccccc3)[C@H](CCO)C2)CC1 ZINC000039442147 556628829 /nfs/dbraw/zinc/62/88/29/556628829.db2.gz QIQMJLVVWDXKFF-RUZDIDTESA-N 1 0 437.628 3.665 50 0 IHAARO CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000011714155 556643471 /nfs/dbraw/zinc/64/34/71/556643471.db2.gz FDGZQTQTONOWBN-IBGZPJMESA-N 1 0 428.404 3.986 50 0 IHAARO Cc1nc2ccccc2n(Cc2ccc(C(=O)NCCC[N@H+]3CCC[C@@H](C)C3)cc2)c1=O ZINC000033005907 556655239 /nfs/dbraw/zinc/65/52/39/556655239.db2.gz AYQCSTMKUAQYPQ-LJQANCHMSA-N 1 0 432.568 3.605 50 0 IHAARO CC[NH+]1CCC(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2cccc(C)c2)CC1 ZINC000011877995 556668339 /nfs/dbraw/zinc/66/83/39/556668339.db2.gz LVTNBPJDJVLFQJ-UHFFFAOYSA-N 1 0 449.624 3.859 50 0 IHAARO COc1cc(CN(C)Cc2c(C)n[nH]c2C)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000011954416 556676820 /nfs/dbraw/zinc/67/68/20/556676820.db2.gz FNYMTRXHHPYWJD-QFIPXVFZSA-N 1 0 444.620 3.673 50 0 IHAARO COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC(=O)N(c4cccc(Cl)c4Cl)C3=O)c2c1 ZINC000018088190 556683621 /nfs/dbraw/zinc/68/36/21/556683621.db2.gz JHRMTWKOXWFCNZ-QGZVFWFLSA-N 1 0 432.307 3.948 50 0 IHAARO CCN1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2cnn3c2nc(C)cc3C)C[C@@]1(C)CO ZINC000055132144 556735679 /nfs/dbraw/zinc/73/56/79/556735679.db2.gz XAKKQBYZCWAYOJ-UCFCWBNQSA-N 1 0 442.007 3.923 50 0 IHAARO O=C(CSc1n[nH]c(-c2ccc(Cl)cc2)n1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000019317258 556736182 /nfs/dbraw/zinc/73/61/82/556736182.db2.gz NZFIJMBHFYGWFP-SFHVURJKSA-N 1 0 427.961 3.608 50 0 IHAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)NCCCc4ccccc4)c(C)c32)CC1 ZINC000033048438 556745105 /nfs/dbraw/zinc/74/51/05/556745105.db2.gz PEWBFBUKKKTIOR-UHFFFAOYSA-N 1 0 437.613 3.894 50 0 IHAARO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CCN1CC[NH+](C2CCCCC2)CC1 ZINC000019372091 556748725 /nfs/dbraw/zinc/74/87/25/556748725.db2.gz YPYUWNOPFTYCJU-UHFFFAOYSA-N 1 0 426.561 3.542 50 0 IHAARO COc1cc(CCC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000058129642 556759989 /nfs/dbraw/zinc/75/99/89/556759989.db2.gz KQBIHBUJSCLGHD-NRFANRHFSA-N 1 0 426.557 3.673 50 0 IHAARO CCOC(=O)c1ccc(N2CCC[N@H+](Cc3cc(=O)oc4cc(CC)ccc34)CC2)nc1 ZINC000058156664 556762812 /nfs/dbraw/zinc/76/28/12/556762812.db2.gz GLRGDCCETCROKQ-UHFFFAOYSA-N 1 0 435.524 3.639 50 0 IHAARO Cc1c(C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)sc2cccc(F)c12 ZINC000060093328 556806357 /nfs/dbraw/zinc/80/63/57/556806357.db2.gz VZGPTSWSBGLVNW-UHFFFAOYSA-N 1 0 433.593 3.905 50 0 IHAARO O=C(NCCC[NH+]1CCCCC1)C1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000062369390 556819037 /nfs/dbraw/zinc/81/90/37/556819037.db2.gz RMPOROHEPNJXLE-UHFFFAOYSA-N 1 0 440.510 3.942 50 0 IHAARO Cc1nonc1[C@H]1CCCN1C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000067472863 556842707 /nfs/dbraw/zinc/84/27/07/556842707.db2.gz IOTRAVIGNVEOPV-HSZRJFAPSA-N 1 0 447.539 3.794 50 0 IHAARO CCNc1cc(N2CCN(C(=O)c3c(C)onc3-c3ccccc3Cl)CC2)nc(C)[nH+]1 ZINC000067603638 556843659 /nfs/dbraw/zinc/84/36/59/556843659.db2.gz TWNMIWLRSJJYQV-UHFFFAOYSA-N 1 0 440.935 3.796 50 0 IHAARO CCc1cc2c(ncnc2N2CCC[C@H](C(=O)NCC[N@H+](C)Cc3ccccc3)C2)s1 ZINC000033078394 556853459 /nfs/dbraw/zinc/85/34/59/556853459.db2.gz MYJDTEDVZWSZQE-IBGZPJMESA-N 1 0 437.613 3.718 50 0 IHAARO CCOc1cc(CNC(=O)[C@H]2CCCN(c3cc[nH+]cc3)C2)cc(OCC)c1OCC ZINC000033128808 556865697 /nfs/dbraw/zinc/86/56/97/556865697.db2.gz LNWQTXHZCUSMBN-IBGZPJMESA-N 1 0 427.545 3.811 50 0 IHAARO O=C1C[C@@H](N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000019848239 556930170 /nfs/dbraw/zinc/93/01/70/556930170.db2.gz DBEPJJYQQWIPPP-WWKNUYBVSA-N 1 0 427.976 3.558 50 0 IHAARO CCCOc1cc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1Br ZINC000019909468 556942902 /nfs/dbraw/zinc/94/29/02/556942902.db2.gz ZPYPIUJRUKFZND-UHFFFAOYSA-N 1 0 433.412 3.825 50 0 IHAARO Cc1nc2ccccc2nc1C[NH+]1CCC(C(=O)Nc2ccc(-n3cccn3)cc2)CC1 ZINC000019957763 556954894 /nfs/dbraw/zinc/95/48/94/556954894.db2.gz NLOYKMKPZALUKG-UHFFFAOYSA-N 1 0 426.524 3.975 50 0 IHAARO COc1ccc(C[N@@H+]2CCN(Cc3c[nH]nc3-c3cccc(F)c3)C[C@@H]2CCO)cc1C ZINC000076837683 556993531 /nfs/dbraw/zinc/99/35/31/556993531.db2.gz XLVYXBDWDWIEFP-QHCPKHFHSA-N 1 0 438.547 3.602 50 0 IHAARO COc1ccc(Cn2c(C)cc(O)c([C@H](c3ccc(C)cc3)N3CC[NH+](C)CC3)c2=O)cc1 ZINC000023086497 556997288 /nfs/dbraw/zinc/99/72/88/556997288.db2.gz PZPDYEKUPFUZKJ-SANMLTNESA-N 1 0 447.579 3.564 50 0 IHAARO CC(C)COC(=O)N1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000097234048 557009135 /nfs/dbraw/zinc/00/91/35/557009135.db2.gz VXGCKYASIGVDRB-GOSISDBHSA-N 1 0 428.360 3.945 50 0 IHAARO COc1cc2c(cc1C(=O)Nc1ccc(OCC[NH+]3CCCCC3)cc1)OCCCO2 ZINC000046077944 557033621 /nfs/dbraw/zinc/03/36/21/557033621.db2.gz AEVRJTCNQUMOGF-UHFFFAOYSA-N 1 0 426.513 3.974 50 0 IHAARO O=C(CN1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1)Nc1ccc(Br)cc1 ZINC000023095814 557063180 /nfs/dbraw/zinc/06/31/80/557063180.db2.gz KYNAIMVRJCTGOY-UHFFFAOYSA-N 1 0 432.406 3.974 50 0 IHAARO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000033307153 557086479 /nfs/dbraw/zinc/08/64/79/557086479.db2.gz NMSPXCZTDNVHOJ-INIZCTEOSA-N 1 0 444.532 3.695 50 0 IHAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+](C)CCN2CCOCC2)cc1F ZINC000023358442 557087001 /nfs/dbraw/zinc/08/70/01/557087001.db2.gz COQDMVANMGVCRH-UHFFFAOYSA-N 1 0 438.547 3.759 50 0 IHAARO CN(C)C(=O)c1ccc(N2CCC([NH2+]CCN3CCC[C@H](c4ccccc4)C3)CC2)cc1 ZINC000023362991 557087966 /nfs/dbraw/zinc/08/79/66/557087966.db2.gz PZZWJVCJTUNSNF-DEOSSOPVSA-N 1 0 434.628 3.826 50 0 IHAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2OC)CN1Cc1ccccc1Cl ZINC000023362874 557087992 /nfs/dbraw/zinc/08/79/92/557087992.db2.gz WJNWRAHIGPBILH-FPOVZHCZSA-N 1 0 445.991 3.534 50 0 IHAARO O=C(NCc1cccnc1)C1CC[NH+](C2CCN(Cc3cc4ccccc4[nH]3)CC2)CC1 ZINC000023431062 557092195 /nfs/dbraw/zinc/09/21/95/557092195.db2.gz VSFCXJANEXZKNS-UHFFFAOYSA-N 1 0 431.584 3.556 50 0 IHAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CC1(n2cccc2)CCOCC1 ZINC000409413459 557109300 /nfs/dbraw/zinc/10/93/00/557109300.db2.gz AZFUFZQUASCBKN-XZOQPEGZSA-N 1 0 431.621 3.514 50 0 biogenic IHAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCn1ccc2cccc(OC)c21 ZINC000409414496 557110024 /nfs/dbraw/zinc/11/00/24/557110024.db2.gz SPTNEQWEJPIDRG-FCHUYYIVSA-N 1 0 427.589 3.780 50 0 biogenic IHAARO CC(C)(C)c1ccc(OCCOC[C@@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000023224721 557116278 /nfs/dbraw/zinc/11/62/78/557116278.db2.gz HAPWMXZGOYFQOT-QHCPKHFHSA-N 1 0 430.564 3.702 50 0 IHAARO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000023961904 557127962 /nfs/dbraw/zinc/12/79/62/557127962.db2.gz AXPLXPIJOLYTTF-FQEVSTJZSA-N 1 0 434.005 3.570 50 0 IHAARO CC1(C)CC(NC(=O)CCNS(=O)(=O)c2ccc(C3CCCCC3)cc2)CC(C)(C)[NH2+]1 ZINC000011423417 557145538 /nfs/dbraw/zinc/14/55/38/557145538.db2.gz MJBBCRNPZXMNIH-UHFFFAOYSA-N 1 0 449.661 3.828 50 0 IHAARO COc1ccccc1[C@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1CCC[NH+](C)C ZINC000011614681 557211188 /nfs/dbraw/zinc/21/11/88/557211188.db2.gz ATGZLBBBNOPAFG-FQEVSTJZSA-N 1 0 426.900 3.952 50 0 IHAARO CN1c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc2C(=O)N2CCCCC[C@H]12 ZINC000583648977 557241952 /nfs/dbraw/zinc/24/19/52/557241952.db2.gz GZSJEXRZRYEQRV-RUZDIDTESA-N 1 0 446.595 3.873 50 0 IHAARO CCc1ccc(S(=O)(=O)Nc2cc(Br)ccc2N2CC[NH+](C)CC2)cc1 ZINC000072270845 557262482 /nfs/dbraw/zinc/26/24/82/557262482.db2.gz WNRLLJXUQMVGKR-UHFFFAOYSA-N 1 0 438.391 3.564 50 0 IHAARO COc1ccccc1[C@@H](CNC(=O)c1cccc(NC(=O)c2cccnc2)c1)[NH+]1CCCC1 ZINC000070010988 557266013 /nfs/dbraw/zinc/26/60/13/557266013.db2.gz WHRGSGGJWIGBGC-HSZRJFAPSA-N 1 0 444.535 3.909 50 0 IHAARO CC1CC[NH+]([C@H](CNC(=O)CN2C(=O)COc3ccc(Cl)cc32)c2cccs2)CC1 ZINC000027575446 557266170 /nfs/dbraw/zinc/26/61/70/557266170.db2.gz MODCBIADEMJZPC-GOSISDBHSA-N 1 0 447.988 3.716 50 0 IHAARO Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000027593052 557267211 /nfs/dbraw/zinc/26/72/11/557267211.db2.gz SPJARLJIXSHKLC-IBGZPJMESA-N 1 0 427.549 3.864 50 0 IHAARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000101408575 557284132 /nfs/dbraw/zinc/28/41/32/557284132.db2.gz YPCHADOSNDGCAG-IQXSCUCBSA-N 1 0 437.499 3.579 50 0 IHAARO C[N@H+](CC1CC1)C[C@H]1CCN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)C1 ZINC000106922622 557533646 /nfs/dbraw/zinc/53/36/46/557533646.db2.gz NVRMVWKLVWAEII-UYAOXDASSA-N 1 0 426.586 3.683 50 0 IHAARO CC[NH+](CC)CCOc1ccc(NC(=O)/C=C/c2cc(OC)c3c(c2)OCCO3)cc1 ZINC000040042969 557677673 /nfs/dbraw/zinc/67/76/73/557677673.db2.gz SCPAOUCIYOVRKL-IZZDOVSWSA-N 1 0 426.513 3.839 50 0 IHAARO Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]Cc2cnc(C)cn2)C4)cc1 ZINC000014999372 557841279 /nfs/dbraw/zinc/84/12/79/557841279.db2.gz VXAFNRKBQFMKGN-GOSISDBHSA-N 1 0 431.565 3.560 50 0 IHAARO Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CC[N@@H+]5CCC[C@H]5C4)cc3n2)cc1 ZINC000000998742 562919953 /nfs/dbraw/zinc/91/99/53/562919953.db2.gz XLHRMMKTNCDVRQ-INIZCTEOSA-N 1 0 429.446 3.644 50 0 IHAARO N=c1n(CC[NH+]2CCCCC2)c2ccccc2n1C[C@@H](O)c1cccc(Br)c1 ZINC000001157903 562920664 /nfs/dbraw/zinc/92/06/64/562920664.db2.gz BGNXMDRDUPEAQZ-OAQYLSRUSA-N 1 0 443.389 3.904 50 0 IHAARO O=C(NCc1cccnc1)[C@@H]1CCC[N@H+](Cc2cnn(-c3ccccc3)c2-n2cccc2)C1 ZINC000008670659 562960715 /nfs/dbraw/zinc/96/07/15/562960715.db2.gz HHGRKBSBKSWTSK-JOCHJYFZSA-N 1 0 440.551 3.586 50 0 IHAARO Cc1c(C)c(=O)oc2cc(O[C@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc12 ZINC000009187403 562968042 /nfs/dbraw/zinc/96/80/42/562968042.db2.gz YCHZXHRQRLSWIZ-LJQANCHMSA-N 1 0 434.536 3.958 50 0 IHAARO CC[NH+](CC)CCn1c(=O)nc(SCC(=O)Nc2ccccc2Cl)c2c1CCCC2 ZINC000009747210 562976507 /nfs/dbraw/zinc/97/65/07/562976507.db2.gz QTQXSZMKSSLEGQ-UHFFFAOYSA-N 1 0 449.020 3.848 50 0 IHAARO COc1ccc(CNC(=S)Nc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)cc1 ZINC000018946975 568629003 /nfs/dbraw/zinc/62/90/03/568629003.db2.gz HJSFPXCQELJMTI-UHFFFAOYSA-N 1 0 438.519 3.952 50 0 IHAARO COC(=O)c1ccc(NC(=O)CN(Cc2ccc(OC(F)F)c(OC)c2)C2CC2)cc1 ZINC000015036251 568633396 /nfs/dbraw/zinc/63/33/96/568633396.db2.gz ZJMFSKZEWJGVGF-UHFFFAOYSA-N 1 0 434.439 3.686 50 0 IHAARO CCOc1c(Cl)cc(C[NH2+]C[C@@H](c2ccc(OC)cc2)N2CCOCC2)cc1OC ZINC000025262064 568649542 /nfs/dbraw/zinc/64/95/42/568649542.db2.gz BSRIMDAANLZALJ-NRFANRHFSA-N 1 0 434.964 3.919 50 0 IHAARO CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000043954061 568744311 /nfs/dbraw/zinc/74/43/11/568744311.db2.gz PHPNXLIKOKAOOM-UHFFFAOYSA-N 1 0 435.615 3.533 50 0 IHAARO COc1cc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)ccc1O ZINC000003655668 568753362 /nfs/dbraw/zinc/75/33/62/568753362.db2.gz JTJLYBYDNKCQDR-QFIPXVFZSA-N 1 0 436.508 3.621 50 0 IHAARO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2cccc(NC(=O)CCCc3ccccc3)c2)CC1 ZINC000299759551 568755708 /nfs/dbraw/zinc/75/57/08/568755708.db2.gz UNGIWNXVHRDEBF-DEOSSOPVSA-N 1 0 434.584 3.567 50 0 IHAARO Cc1cc(C)n(CC[NH2+]Cc2cc3cc4c(cc3n(Cc3ccccn3)c2=O)CCC4)n1 ZINC000299802598 568758141 /nfs/dbraw/zinc/75/81/41/568758141.db2.gz ZPOYIXBKUDKYBU-UHFFFAOYSA-N 1 0 427.552 3.537 50 0 IHAARO Cc1nn(-c2ccc(Cl)cc2)cc1-c1noc(C(=O)NCCC[N@H+]2CCC[C@H](C)C2)n1 ZINC000015729774 568813674 /nfs/dbraw/zinc/81/36/74/568813674.db2.gz LTRSLHYPMJKTMG-HNNXBMFYSA-N 1 0 442.951 3.736 50 0 IHAARO Cc1c(OCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000006659853 568944371 /nfs/dbraw/zinc/94/43/71/568944371.db2.gz MGRLAFRCVOOOMK-UHFFFAOYSA-N 1 0 426.557 3.784 50 0 IHAARO COc1cccc(C[N@H+]2CC=C(C(=O)N3CCN(c4ccccc4Cl)CC3)CC2)c1 ZINC000064817997 568965125 /nfs/dbraw/zinc/96/51/25/568965125.db2.gz CAFWGBRLRDUSDA-UHFFFAOYSA-N 1 0 425.960 3.830 50 0 IHAARO CCn1c2c(C(=O)NC3CCCCCC3)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2 ZINC000064835898 568968889 /nfs/dbraw/zinc/96/88/89/568968889.db2.gz AGWOSKIFRMPOJR-UHFFFAOYSA-N 1 0 447.583 3.527 50 0 IHAARO CC[C@@H](C(=O)NCC[NH+]1CCCCCC1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000006799363 568989944 /nfs/dbraw/zinc/98/99/44/568989944.db2.gz QNXRLGLAYKOUPL-SFHVURJKSA-N 1 0 426.586 3.863 50 0 IHAARO Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000064947165 568995190 /nfs/dbraw/zinc/99/51/90/568995190.db2.gz RTFDWKLZJSEEBX-UHFFFAOYSA-N 1 0 442.560 3.571 50 0 IHAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C[C@H](O)CC ZINC000036309303 568995881 /nfs/dbraw/zinc/99/58/81/568995881.db2.gz DBTGVEJIBLUZCK-GCJKJVERSA-N 1 0 446.613 3.744 50 0 IHAARO CCNC(=S)N(CC[NH+](C)C)Cc1c(-c2ccccc2)noc1N1CCCC[C@@H]1C ZINC000036312919 568998046 /nfs/dbraw/zinc/99/80/46/568998046.db2.gz JUYQWRPFYCORRP-SFHVURJKSA-N 1 0 429.634 3.978 50 0 IHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2ccccc2Cl)CC1 ZINC000036341038 569079179 /nfs/dbraw/zinc/07/91/79/569079179.db2.gz BDEWEAMUYHMWMV-QHCPKHFHSA-N 1 0 440.975 3.664 50 0 IHAARO CCCCN(CC)C(=O)c1cc(NC(=O)c2ccc(Cl)cc2)cnc1N1CC[NH2+]CC1 ZINC000065025444 569090651 /nfs/dbraw/zinc/09/06/51/569090651.db2.gz IQQNAIUMLGCONH-UHFFFAOYSA-N 1 0 443.979 3.659 50 0 IHAARO Cc1ccc(CN2CCN(C(=O)c3cccc4[nH]cc(C[NH+]5CCSCC5)c43)CC2)cc1 ZINC000065135854 569110875 /nfs/dbraw/zinc/11/08/75/569110875.db2.gz ODCZUSFQZRGIQY-UHFFFAOYSA-N 1 0 448.636 3.983 50 0 IHAARO CC(C)Oc1ccc(CNC(=O)c2cccnc2N2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000065255864 569123050 /nfs/dbraw/zinc/12/30/50/569123050.db2.gz ZBTZLLDTUQOWBP-XMMPIXPASA-N 1 0 430.552 3.950 50 0 IHAARO Cc1noc(C)c1CC(=O)N1CCC[C@]2(C1)Nc1cccnc1[NH+]=C2NCc1ccccc1 ZINC000065265703 569127153 /nfs/dbraw/zinc/12/71/53/569127153.db2.gz BALKMMQOMOYTQA-RUZDIDTESA-N 1 0 444.539 3.536 50 0 biogenic IHAARO C[NH+](C)CCN(C(=O)CCCN1C(=O)c2ccccc2C1=O)c1cccc(Cl)c1Cl ZINC000170610484 569145060 /nfs/dbraw/zinc/14/50/60/569145060.db2.gz WLRGOXDIGMMNSB-UHFFFAOYSA-N 1 0 448.350 3.964 50 0 IHAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CCc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000014671270 569161655 /nfs/dbraw/zinc/16/16/55/569161655.db2.gz AIWJQVAMNWXKAR-UHFFFAOYSA-N 1 0 443.910 3.852 50 0 IHAARO CC[NH+](CC)[C@@H](CNC(=O)COC(=O)CCCc1nc2ccccc2s1)c1ccco1 ZINC000089967796 569169191 /nfs/dbraw/zinc/16/91/91/569169191.db2.gz RGOJDUHXORYMMX-SFHVURJKSA-N 1 0 443.569 3.955 50 0 IHAARO COc1ccccc1-c1nc(NCC[NH+]2CCCCC2)nc2nn(-c3ccccc3)c(N)c21 ZINC000037358166 569176027 /nfs/dbraw/zinc/17/60/27/569176027.db2.gz SBSHREZYGQZMKG-UHFFFAOYSA-N 1 0 443.555 3.971 50 0 IHAARO Cc1ccc(NC(=O)N2CCC3(CC2)C[C@H]([NH+]2CCN(C(C)C)CC2)CCO3)cc1C ZINC000581819678 569211454 /nfs/dbraw/zinc/21/14/54/569211454.db2.gz AYHHWMNBVBAAML-HSZRJFAPSA-N 1 0 428.621 3.875 50 0 IHAARO Cc1cccc(N2CCN(C(=O)c3cccnc3N3CC[NH2+][C@H](c4ccccc4)C3)CC2)c1 ZINC000065255820 569263306 /nfs/dbraw/zinc/26/33/06/569263306.db2.gz RCZLSJXWOFHEPF-VWLOTQADSA-N 1 0 441.579 3.503 50 0 IHAARO CC[NH+](CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000002405615 569300111 /nfs/dbraw/zinc/30/01/11/569300111.db2.gz LZDCYYMRLODENZ-QFIPXVFZSA-N 1 0 436.508 3.697 50 0 IHAARO O[C@@H](COc1ccccc1F)C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccccc1F ZINC000013149378 569312132 /nfs/dbraw/zinc/31/21/32/569312132.db2.gz FKJSKAPZBGYQLJ-OYRHEFFESA-N 1 0 443.490 3.647 50 0 IHAARO CC[C@@H]1C[N@H+](Cc2ccccc2)[C@H](CC)CN1C(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000078869834 569319604 /nfs/dbraw/zinc/31/96/04/569319604.db2.gz KVLQSJKAYDQHFE-DNQXCXABSA-N 1 0 440.632 3.816 50 0 IHAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)N(C)CCc4ccccn4)ccc3n2)CC1 ZINC000020153565 569353603 /nfs/dbraw/zinc/35/36/03/569353603.db2.gz RLWORQCECPMHFI-UHFFFAOYSA-N 1 0 448.640 3.951 50 0 IHAARO CCOC(CNC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccc(CC)cc3)oc2C)C1)OCC ZINC000020240917 569357716 /nfs/dbraw/zinc/35/77/16/569357716.db2.gz CJLMRLFZQZRZQE-NRFANRHFSA-N 1 0 443.588 3.940 50 0 IHAARO O=S(=O)(c1cccc(-c2ccc(Cl)cc2)c1)N1CCC([N@H+]2CCC[C@@H]2CO)CC1 ZINC000096099766 569381732 /nfs/dbraw/zinc/38/17/32/569381732.db2.gz ZRGQBNYUDUEOKZ-OAQYLSRUSA-N 1 0 434.989 3.617 50 0 IHAARO Cc1ccsc1CN(Cc1nc(C(=O)NCC[NH+](C)C)co1)Cc1ccc(F)cc1 ZINC000096280024 569389602 /nfs/dbraw/zinc/38/96/02/569389602.db2.gz XNVIJCFCUQOXJZ-UHFFFAOYSA-N 1 0 430.549 3.677 50 0 IHAARO CC(C)C[NH+]1CCN(C(=O)c2csc(N3CCN(c4cccc(Cl)c4)CC3)n2)CC1 ZINC000096386365 569398570 /nfs/dbraw/zinc/39/85/70/569398570.db2.gz XYHSXUUBXHVYEE-UHFFFAOYSA-N 1 0 448.036 3.537 50 0 IHAARO C[NH+]1CCC2(CC1)C[C@H](NC(=O)CC[C@@H]1Cc3ccccc3NC1=O)c1ccccc1O2 ZINC000096997612 569402804 /nfs/dbraw/zinc/40/28/04/569402804.db2.gz ANOOBBDKNIDLQQ-KNQAVFIVSA-N 1 0 433.552 3.682 50 0 IHAARO O=C(Cn1cnc2ccccc21)N1CCC([N@@H+]2CCC[C@@H]2COCc2ccccc2)CC1 ZINC000225631183 569406227 /nfs/dbraw/zinc/40/62/27/569406227.db2.gz XJEITTHDJFIAMS-HSZRJFAPSA-N 1 0 432.568 3.709 50 0 IHAARO CCc1ccc([C@@H]2NC(=O)N=C(C[NH+]3CCC(Cc4ccccc4)CC3)C2C(=O)OC)cc1 ZINC000057415158 569434068 /nfs/dbraw/zinc/43/40/68/569434068.db2.gz PQRSQJSSGCSWLR-VWLOTQADSA-N 1 0 447.579 3.985 50 0 IHAARO CC[NH+](CC)CCCNC(=O)c1ccc(CS(=O)(=O)Cc2cccc(Cl)c2)o1 ZINC000003056931 569439400 /nfs/dbraw/zinc/43/94/00/569439400.db2.gz RELPMOZSQANWSY-UHFFFAOYSA-N 1 0 426.966 3.510 50 0 IHAARO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1cc(C(F)(F)F)ccc1Cl ZINC000670444927 569452789 /nfs/dbraw/zinc/45/27/89/569452789.db2.gz KZFPBPSZOQPPAR-YOMPXFNTSA-N 1 0 449.904 3.656 50 0 IHAARO CCOC(=O)C[C@H](c1ccc(F)cc1)C1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1 ZINC000031557211 569456705 /nfs/dbraw/zinc/45/67/05/569456705.db2.gz IELVBGVRIZAFBM-HXUWFJFHSA-N 1 0 443.544 3.844 50 0 IHAARO CC[NH+](CC)CCCNC(=O)C1CCN(c2nc(C(F)(F)F)nc3ccccc32)CC1 ZINC000058913336 569458060 /nfs/dbraw/zinc/45/80/60/569458060.db2.gz UMSWBLVRQAIMHP-UHFFFAOYSA-N 1 0 437.510 3.713 50 0 IHAARO CC(=O)c1cc(-c2ccccc2)n(CC(=O)N2CCC([N@H+](C)C[C@H]3CCCO3)CC2)c1C ZINC000008911528 569484871 /nfs/dbraw/zinc/48/48/71/569484871.db2.gz MNLOECPZXLBKEH-HSZRJFAPSA-N 1 0 437.584 3.768 50 0 IHAARO CCOC(=O)C1=C(CN2CC[C@@H](c3ccc(C)cc3)C2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000245257657 569501613 /nfs/dbraw/zinc/50/16/13/569501613.db2.gz BWYPKTLLUSNBCF-XXBNENTESA-N 1 0 437.515 3.795 50 0 IHAARO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cccs1 ZINC000069352405 569502181 /nfs/dbraw/zinc/50/21/81/569502181.db2.gz HPLOVMKAUMESAU-CJNGLKHVSA-N 1 0 425.476 3.539 50 0 IHAARO CC1CC[NH+](CCCNS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)CC1 ZINC000009268807 569517592 /nfs/dbraw/zinc/51/75/92/569517592.db2.gz SBZSWQLNVIFSIQ-UHFFFAOYSA-N 1 0 437.509 3.822 50 0 IHAARO CC[NH+](CC)CCCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12 ZINC000009289190 569519528 /nfs/dbraw/zinc/51/95/28/569519528.db2.gz PIMWFPVRDXQRQB-RUZDIDTESA-N 1 0 432.568 3.572 50 0 IHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000009337488 569523606 /nfs/dbraw/zinc/52/36/06/569523606.db2.gz SMRQPNWKJDKOIK-HXUWFJFHSA-N 1 0 429.948 3.739 50 0 IHAARO Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NCCC[NH+]3CCCCC3)c2)c1 ZINC000009338396 569523664 /nfs/dbraw/zinc/52/36/64/569523664.db2.gz OTKKPYFZBPSCCW-UHFFFAOYSA-N 1 0 429.586 3.710 50 0 IHAARO COc1ccc(-n2cc(C(=O)NCC[N@H+](C)Cc3ccccc3)c3ccccc3c2=O)cc1 ZINC000009433744 569534657 /nfs/dbraw/zinc/53/46/57/569534657.db2.gz VKJOEIQLPQISKT-UHFFFAOYSA-N 1 0 441.531 3.861 50 0 IHAARO O=C(COc1ccc2c(c1)oc(=O)c1c2CCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000009448522 569536082 /nfs/dbraw/zinc/53/60/82/569536082.db2.gz QGAVQLAMGNIPJH-UHFFFAOYSA-N 1 0 446.547 3.831 50 0 IHAARO CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc12 ZINC000009510495 569542749 /nfs/dbraw/zinc/54/27/49/569542749.db2.gz XMAVRFPIJCTQJU-SFHVURJKSA-N 1 0 434.536 3.904 50 0 IHAARO O=C(CSc1nnnn1-c1ccc(Cl)cc1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000009596264 569550727 /nfs/dbraw/zinc/55/07/27/569550727.db2.gz IWCDGATXUZDSJN-UHFFFAOYSA-N 1 0 449.024 3.713 50 0 IHAARO O=C(Cn1c(=O)oc2cc(Cl)ccc21)NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009688586 569560807 /nfs/dbraw/zinc/56/08/07/569560807.db2.gz PONNAMCEXBFVKG-UHFFFAOYSA-N 1 0 448.350 3.930 50 0 IHAARO CCn1c(SCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)nnc1-c1cccs1 ZINC000009714003 569562710 /nfs/dbraw/zinc/56/27/10/569562710.db2.gz FEOKUKTXDVZMHM-UHFFFAOYSA-N 1 0 441.626 3.899 50 0 IHAARO CC[NH+](CC)CCCn1c2c(c(SCC(=O)Nc3cccc(Cl)c3)nc1=O)CCC2 ZINC000009746145 569565720 /nfs/dbraw/zinc/56/57/20/569565720.db2.gz UOKWNAUVNIAMHL-UHFFFAOYSA-N 1 0 449.020 3.848 50 0 IHAARO CC[NH+](CC)CCn1c(=O)nc(SCC(=O)Nc2cccc(Cl)c2)c2c1CCCC2 ZINC000009747034 569565769 /nfs/dbraw/zinc/56/57/69/569565769.db2.gz WJUAVARZFVWKOP-UHFFFAOYSA-N 1 0 449.020 3.848 50 0 IHAARO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009917520 569573494 /nfs/dbraw/zinc/57/34/94/569573494.db2.gz NBIDVGDVTMVWJD-UHFFFAOYSA-N 1 0 441.528 3.618 50 0 IHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000010030606 569577355 /nfs/dbraw/zinc/57/73/55/569577355.db2.gz OHJQYKSUYUVEEP-QUCCMNQESA-N 1 0 429.948 3.739 50 0 IHAARO CCOc1ccc([C@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000010233224 569579578 /nfs/dbraw/zinc/57/95/78/569579578.db2.gz BSMIBAVMENUODS-QFIPXVFZSA-N 1 0 436.508 3.697 50 0 IHAARO COC(=O)c1sccc1NC(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000071775382 569580943 /nfs/dbraw/zinc/58/09/43/569580943.db2.gz QBASADZQEQZXJM-UHFFFAOYSA-N 1 0 449.576 3.880 50 0 IHAARO O=C(CCSc1ccccc1)Nc1cc(N2CC[NH+](Cc3ccccc3)CC2)ncn1 ZINC000077100904 569585507 /nfs/dbraw/zinc/58/55/07/569585507.db2.gz PBLWVQUBHPWYCU-UHFFFAOYSA-N 1 0 433.581 3.920 50 0 IHAARO CCOc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc(OCC)c1OCC ZINC000000803530 132230727 /nfs/dbraw/zinc/23/07/27/132230727.db2.gz TUZPZLZHXDYVLT-UHFFFAOYSA-N 1 0 427.545 3.887 50 0 IHAARO CC(C)C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](C/C=C/c1ccccc1)CC2 ZINC000012148916 519248896 /nfs/dbraw/zinc/24/88/96/519248896.db2.gz CNBZQMNEUZLLCA-VMLCMGRWSA-N 1 0 433.556 3.960 50 0 IHAARO CC(C)[C@@H]([NH2+][C@H](C)C(=O)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000012606187 519799654 /nfs/dbraw/zinc/79/96/54/519799654.db2.gz IDMYFKWBUNGMFA-CJFMBICVSA-N 1 0 437.584 3.872 50 0 IHAARO CCOC(=O)C1CCN(C(=O)C2CC[NH+](Cc3c(C)n(CC)c4ccccc34)CC2)CC1 ZINC000035457881 520556705 /nfs/dbraw/zinc/55/67/05/520556705.db2.gz ZYNOKPKEYILEDO-UHFFFAOYSA-N 1 0 439.600 3.983 50 0 IHAARO CC1=NN(c2ccccc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CC[N@@H+](C)C[C@@H]12 ZINC000036056321 520897288 /nfs/dbraw/zinc/89/72/88/520897288.db2.gz BFOGSGSBDUJOMY-IFMALSPDSA-N 1 0 439.357 3.535 50 0 biogenic IHAARO CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCC[N@H+](CCc1ccccc1)Cc1ccco1 ZINC000021018721 521167405 /nfs/dbraw/zinc/16/74/05/521167405.db2.gz NJEIQZUTDAILPN-RUZDIDTESA-N 1 0 445.563 3.808 50 0 IHAARO CCOC(=O)[C@@]1(Cc2ccccc2C)CCC[N@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000020599840 521182750 /nfs/dbraw/zinc/18/27/50/521182750.db2.gz SBBISBLIJOOZHU-XMMPIXPASA-N 1 0 443.613 3.676 50 0 IHAARO CCCCn1c(CN(C)C[C@H]2CC[N@H+](CC)C2)cnc1S(=O)(=O)CCCC(C)C ZINC000012301506 521362011 /nfs/dbraw/zinc/36/20/11/521362011.db2.gz IRWHLCHAUKYNHF-HXUWFJFHSA-N 1 0 426.671 3.667 50 0 IHAARO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H](CC(C)C)[NH2+][C@]23C(=O)Nc2ccc(C)cc23)cc1 ZINC000035877475 521509619 /nfs/dbraw/zinc/50/96/19/521509619.db2.gz VORDSJCBYIFJSS-DYRZZGSRSA-N 1 0 449.551 3.982 50 0 IHAARO CC[NH+]1CCN(CCCNC(=O)Cn2c(-c3cccs3)cc3cc(F)ccc32)CC1 ZINC000022795233 521679444 /nfs/dbraw/zinc/67/94/44/521679444.db2.gz ANHQTKVOJDYYKM-UHFFFAOYSA-N 1 0 428.577 3.653 50 0 IHAARO CC[NH+]1CCN(C[C@H](O)COc2ccc3c(c2)c(C(C)=O)c(C)n3-c2ccc(C)cc2)CC1 ZINC000021167992 521687245 /nfs/dbraw/zinc/68/72/45/521687245.db2.gz DCPXOLIPZRNJLJ-QHCPKHFHSA-N 1 0 449.595 3.827 50 0 IHAARO CC[NH+]1CCN([C@H](c2ccccc2Cl)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 ZINC000021098148 521695707 /nfs/dbraw/zinc/69/57/07/521695707.db2.gz CJMNGRMMYSGPRU-HSZRJFAPSA-N 1 0 441.959 3.884 50 0 IHAARO C[NH+](C)CCNC(=O)c1ccc(OC2CCN(C(=O)C3CCCCC3)CC2)c(Cl)c1 ZINC000012303310 521784458 /nfs/dbraw/zinc/78/44/58/521784458.db2.gz GUFGVKPPAZBGKD-UHFFFAOYSA-N 1 0 435.996 3.582 50 0 IHAARO COc1cc(-c2onc(C)c2C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc(OC)c1OC ZINC000022656219 521920468 /nfs/dbraw/zinc/92/04/68/521920468.db2.gz FGFYOTVOAZZPAU-HNNXBMFYSA-N 1 0 431.533 3.670 50 0 IHAARO COc1cc(CN(C)Cc2cc(C)no2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012710452 522351751 /nfs/dbraw/zinc/35/17/51/522351751.db2.gz CAVYOSBUPGKWCT-OAQYLSRUSA-N 1 0 431.577 3.628 50 0 IHAARO COc1cc(CNCc2csc(C)n2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012707475 522469747 /nfs/dbraw/zinc/46/97/47/522469747.db2.gz YDGYKZZLLFRJIK-NRFANRHFSA-N 1 0 433.618 3.754 50 0 IHAARO CCc1nn2c(nc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2=O)s1 ZINC000020962101 522707096 /nfs/dbraw/zinc/70/70/96/522707096.db2.gz OAVYYVIGYNIKKK-UHFFFAOYSA-N 1 0 445.592 3.621 50 0 IHAARO CCc1sc(C(=O)NCC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1C ZINC000012933187 523070025 /nfs/dbraw/zinc/07/00/25/523070025.db2.gz UATQOSFBJVFWDT-UHFFFAOYSA-N 1 0 434.005 3.783 50 0 IHAARO COc1ccc(-c2n[nH]c(=S)n2CCC(=O)NCC2([NH+](C)C)CCCCCC2)cc1 ZINC000021200816 523176801 /nfs/dbraw/zinc/17/68/01/523176801.db2.gz AJTYGMYHYIBEGP-UHFFFAOYSA-N 1 0 431.606 3.777 50 0 IHAARO CN(Cc1cc2cc(F)ccc2[nH]1)Cc1ccccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000012297708 523184809 /nfs/dbraw/zinc/18/48/09/523184809.db2.gz LRRQOVAYFKDRNX-JOCHJYFZSA-N 1 0 443.588 3.728 50 0 IHAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H]([NH2+]CCc1ccccc1Cl)CC2 ZINC000014743992 523436654 /nfs/dbraw/zinc/43/66/54/523436654.db2.gz XMUVDOHRSIUOTH-KRWDZBQOSA-N 1 0 426.948 3.628 50 0 IHAARO COc1ccc(C(=O)N(C)CC2CC[NH+](CCc3ccccc3F)CC2)c(OC)c1OC ZINC000012711694 523598537 /nfs/dbraw/zinc/59/85/37/523598537.db2.gz UVKXBEOVXQFGCO-UHFFFAOYSA-N 1 0 444.547 3.878 50 0 IHAARO COc1ccc(C(=O)NC[C@@H]2OCCc3ccccc32)cc1OC1CC[NH+](C(C)C)CC1 ZINC000012385252 523705463 /nfs/dbraw/zinc/70/54/63/523705463.db2.gz OGLVTTUVAJVCRH-VWLOTQADSA-N 1 0 438.568 3.991 50 0 IHAARO C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(n2c(CCc3ccccc3)nc3cccnc32)CC1 ZINC000012247406 523795763 /nfs/dbraw/zinc/79/57/63/523795763.db2.gz KFGIZQGJFRIANI-QHCPKHFHSA-N 1 0 431.584 3.864 50 0 IHAARO CN(C(=O)C[C@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1)C(C1CC1)C1CC1 ZINC000012227272 523844825 /nfs/dbraw/zinc/84/48/25/523844825.db2.gz SEMUSVVSLZMPPR-VWLOTQADSA-N 1 0 445.607 3.656 50 0 IHAARO C[NH+]1CCN(c2ccc(NC(=O)Cc3csc4nc(-c5ccccc5)cn34)cc2)CC1 ZINC000012535650 523925541 /nfs/dbraw/zinc/92/55/41/523925541.db2.gz GQPUMFFTKHHNNZ-UHFFFAOYSA-N 1 0 431.565 3.996 50 0 IHAARO COCCNC(=O)c1ccc(OC2CC[NH+]([C@@H](C)Cc3ccc(C)cn3)CC2)c(Cl)c1 ZINC000012299570 523926302 /nfs/dbraw/zinc/92/63/02/523926302.db2.gz FBHCUSITMYUNHN-SFHVURJKSA-N 1 0 445.991 3.894 50 0 IHAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)CCc2cn3ccccc3n2)cc1 ZINC000012317892 523940100 /nfs/dbraw/zinc/94/01/00/523940100.db2.gz QXNJUGATLZTNRD-UHFFFAOYSA-N 1 0 434.584 3.689 50 0 IHAARO COc1ccc(CCNC(=O)c2cnn(-c3ccc(C)cc3)c2C2CC[NH2+]CC2)c(OC)c1 ZINC000021018114 523972296 /nfs/dbraw/zinc/97/22/96/523972296.db2.gz QCSCRYNFQIKNRO-UHFFFAOYSA-N 1 0 448.567 3.637 50 0 IHAARO COc1cccc([C@H](CNC(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)[NH+]2CCCC2)c1 ZINC000012781632 524159372 /nfs/dbraw/zinc/15/93/72/524159372.db2.gz PSVKQBNKSJAMTB-XZOQPEGZSA-N 1 0 441.547 3.542 50 0 IHAARO Cc1cc(C)c(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)cc1C ZINC000020776114 524263956 /nfs/dbraw/zinc/26/39/56/524263956.db2.gz GWWZMTOVRYNYHY-OAQYLSRUSA-N 1 0 447.583 3.518 50 0 IHAARO COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CCc4[nH]nc(C)c4C)C3)C2)c1 ZINC000012433487 524274234 /nfs/dbraw/zinc/27/42/34/524274234.db2.gz OLZWOUAGYVMYDM-XMMPIXPASA-N 1 0 428.552 3.622 50 0 IHAARO C[C@H](CNC(=O)c1cc(-c2ccccc2)n[nH]1)Oc1cccc(C[NH+]2CCSCC2)c1 ZINC000012099117 524458466 /nfs/dbraw/zinc/45/84/66/524458466.db2.gz VURLUPHQSVGIQR-GOSISDBHSA-N 1 0 436.581 3.823 50 0 IHAARO Cc1cccc(N2CC[N@@H+](CCCNc3nnc4c5ccccc5n(C)c4n3)C[C@H]2C)c1 ZINC000020488450 524553866 /nfs/dbraw/zinc/55/38/66/524553866.db2.gz BFBFXTRIXNFGSS-LJQANCHMSA-N 1 0 429.572 3.838 50 0 IHAARO COc1ccccc1[C@H](CNC(=O)[C@H](NC(=O)c1ccccc1F)C(C)C)[NH+]1CCCC1 ZINC000012791927 524791583 /nfs/dbraw/zinc/79/15/83/524791583.db2.gz FTDLFNIQEUXUTD-JTHBVZDNSA-N 1 0 441.547 3.542 50 0 IHAARO COc1ccc([C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)N2CCOCC2)cc1 ZINC000022926840 525187547 /nfs/dbraw/zinc/18/75/47/525187547.db2.gz NKHJZZFSQQGZDN-JOCHJYFZSA-N 1 0 426.948 3.902 50 0 IHAARO Cc1ccc(NC(=O)[C@H](C)N2CC[NH+](CCc3ccccc3)CC2)c(Br)c1 ZINC000022912234 525211032 /nfs/dbraw/zinc/21/10/32/525211032.db2.gz CHWOYLAOQFMDMS-SFHVURJKSA-N 1 0 430.390 3.945 50 0 IHAARO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCC[NH+](C(C)C)C(C)C)ccc2C)cc1 ZINC000012760946 525296077 /nfs/dbraw/zinc/29/60/77/525296077.db2.gz BUNUCCFBNFCCBV-UHFFFAOYSA-N 1 0 431.602 3.953 50 0 IHAARO Cc1ccnc(N2CCC(C(=O)NCC3CC[NH+](Cc4cccc(Cl)c4)CC3)CC2)n1 ZINC000035454491 525664211 /nfs/dbraw/zinc/66/42/11/525664211.db2.gz UJHGDDAHSDFWQZ-UHFFFAOYSA-N 1 0 442.007 3.683 50 0 IHAARO Cc1ccnc(N2CCC[C@@H](C(=O)NCC3CC[NH+](Cc4ccccc4Cl)CC3)C2)n1 ZINC000035454390 525667941 /nfs/dbraw/zinc/66/79/41/525667941.db2.gz FLBLKYDYQNHXHW-OAQYLSRUSA-N 1 0 442.007 3.683 50 0 IHAARO COc1cccc(-c2noc(NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)n2)c1OC ZINC000021630966 525740452 /nfs/dbraw/zinc/74/04/52/525740452.db2.gz LVYKBWZZPQUBMF-UHFFFAOYSA-N 1 0 441.507 3.517 50 0 IHAARO Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)NCCC[NH+]4CCC(C)CC4)C3)nn2)cc1 ZINC000035398121 525751867 /nfs/dbraw/zinc/75/18/67/525751867.db2.gz NXCZHZJYYABYSN-HSZRJFAPSA-N 1 0 435.616 3.907 50 0 IHAARO Cc1ccc(C(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)c(=O)[nH]1 ZINC000012373085 526074327 /nfs/dbraw/zinc/07/43/27/526074327.db2.gz MNVJCISDBXVJNM-NRFANRHFSA-N 1 0 441.547 3.768 50 0 IHAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CSc1ncc(-c2ccccc2)nn1 ZINC000012462576 526194558 /nfs/dbraw/zinc/19/45/58/526194558.db2.gz SVHHEBYMWQCPJF-UGKGYDQZSA-N 1 0 431.565 3.774 50 0 IHAARO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022786840 526217463 /nfs/dbraw/zinc/21/74/63/526217463.db2.gz HFJCJAQVBAABFY-HXUWFJFHSA-N 1 0 442.563 3.721 50 0 IHAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1nn2cc(Br)cnc2c1Cl ZINC000012428320 526421512 /nfs/dbraw/zinc/42/15/12/526421512.db2.gz UPZBPJXOSSLKCU-WCQYABFASA-N 1 0 427.730 3.567 50 0 IHAARO O=C(CC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)NCc1cn2c(n1)SCC2 ZINC000020991912 526496191 /nfs/dbraw/zinc/49/61/91/526496191.db2.gz DWPNGUUCOTWYBI-QFIPXVFZSA-N 1 0 434.565 3.631 50 0 IHAARO Cc1ncc(CN(C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)s1 ZINC000069521605 527248001 /nfs/dbraw/zinc/24/80/01/527248001.db2.gz JCRPPQQUNHDLLT-UHFFFAOYSA-N 1 0 427.496 3.886 50 0 IHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000035447434 527530875 /nfs/dbraw/zinc/53/08/75/527530875.db2.gz SFLWZLHMZLBPHZ-OAQYLSRUSA-N 1 0 439.987 3.973 50 0 IHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1csc(NC(=O)c2cccc(F)c2)n1 ZINC000035819711 527531305 /nfs/dbraw/zinc/53/13/05/527531305.db2.gz KBJNYIIGJIQOKE-UHFFFAOYSA-N 1 0 438.528 3.929 50 0 IHAARO Cn1cnnc1[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000020865913 527532327 /nfs/dbraw/zinc/53/23/27/527532327.db2.gz VMBDXLIZKKEXAP-LJQANCHMSA-N 1 0 442.523 3.776 50 0 IHAARO O[C@@H]1CN(Cc2sc3ccccc3c2Cl)CC[C@H]1[NH+]1CCN(c2ccccn2)CC1 ZINC000012713715 527678777 /nfs/dbraw/zinc/67/87/77/527678777.db2.gz YWOFLDYFUIFTFI-RTBURBONSA-N 1 0 443.016 3.707 50 0 IHAARO COc1ccccc1CCNC(=O)c1cccc(CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000034684105 555819472 /nfs/dbraw/zinc/81/94/72/555819472.db2.gz XVLLXZOSNHRFSF-UHFFFAOYSA-N 1 0 443.591 3.986 50 0 IHAARO O=C(NCC[NH+]1CCCC1)[C@H]1C[C@H](c2ccccc2)CN(C(=O)Nc2ccccc2F)C1 ZINC000034710351 555824087 /nfs/dbraw/zinc/82/40/87/555824087.db2.gz BUADIPBBDULQLQ-SFTDATJTSA-N 1 0 438.547 3.675 50 0 IHAARO CC[NH+](CC)CCCNC(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000002915589 555862886 /nfs/dbraw/zinc/86/28/86/555862886.db2.gz QDJZBUAEVIYMDK-UHFFFAOYSA-N 1 0 425.480 3.938 50 0 IHAARO C[NH+]1CCC(NC(=O)c2cnc(-c3ccc4c(c3)OCO4)nc2Nc2cccc(F)c2)CC1 ZINC000034921979 555932378 /nfs/dbraw/zinc/93/23/78/555932378.db2.gz PYLNWFBSVXRJRD-UHFFFAOYSA-N 1 0 449.486 3.579 50 0 IHAARO CCC(=O)N1CCC([NH+]2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)CC1 ZINC000034912360 555934267 /nfs/dbraw/zinc/93/42/67/555934267.db2.gz NEZPJRYWGQGGIA-UHFFFAOYSA-N 1 0 425.617 3.581 50 0 IHAARO O=C(c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000004199811 555975653 /nfs/dbraw/zinc/97/56/53/555975653.db2.gz PKWHNERZGTZPHN-CQSZACIVSA-N 1 0 449.864 3.989 50 0 IHAARO CCOc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)ccc1Oc1nnnn1-c1ccccc1 ZINC000009356193 556285051 /nfs/dbraw/zinc/28/50/51/556285051.db2.gz NMUBJKWMVVHXBY-UHFFFAOYSA-N 1 0 445.479 3.872 50 0 IHAARO CCc1ccc([C@H](CNC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)[NH+](C)C)cc1 ZINC000032734517 556305669 /nfs/dbraw/zinc/30/56/69/556305669.db2.gz FJWCXDLZTIXRDF-RPWUZVMVSA-N 1 0 445.563 3.828 50 0 IHAARO CSCC[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000013844360 556318520 /nfs/dbraw/zinc/31/85/20/556318520.db2.gz DYEZODKJFRWBRH-FFCFBIEMSA-N 1 0 425.683 3.535 50 0 IHAARO C[C@@H](C(=O)NCCCN1CC[NH+](C)CC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000022923781 556341899 /nfs/dbraw/zinc/34/18/99/556341899.db2.gz FQEZPODEJOIHJM-SFHVURJKSA-N 1 0 439.991 3.671 50 0 IHAARO Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)NCC[NH+]1CCCC1 ZINC000013945778 556342998 /nfs/dbraw/zinc/34/29/98/556342998.db2.gz NZUKYKIXPWAZRO-RUZDIDTESA-N 1 0 430.552 3.624 50 0 IHAARO COc1ccc(CN(C)Cc2cccnc2)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000011662051 556343636 /nfs/dbraw/zinc/34/36/36/556343636.db2.gz PRNIKZOMNWNTLM-QHCPKHFHSA-N 1 0 427.589 3.728 50 0 IHAARO Cc1ccc([C@](O)(CCNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C(F)(F)F)o1 ZINC000032779441 556344769 /nfs/dbraw/zinc/34/47/69/556344769.db2.gz CHHUFPVZAOQIDT-OAQYLSRUSA-N 1 0 439.478 3.692 50 0 IHAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)[C@H](OC)c1ccccc1 ZINC000011769034 556349694 /nfs/dbraw/zinc/34/96/94/556349694.db2.gz SUICMGVIVGNIQJ-RUZDIDTESA-N 1 0 440.584 3.770 50 0 IHAARO O=C(Nc1ccnn1C1CC[NH+](C2Cc3ccccc3C2)CC1)c1ccc2c(c1)OCO2 ZINC000011838850 556363760 /nfs/dbraw/zinc/36/37/60/556363760.db2.gz ZEPKBJHQHQSTCP-UHFFFAOYSA-N 1 0 430.508 3.668 50 0 IHAARO Cc1ccc(-c2cccc3c2O[C@@H](CNC(=O)c2ccc(N4CC[NH+](C)CC4)cc2)C3)nc1 ZINC000011840519 556364644 /nfs/dbraw/zinc/36/46/44/556364644.db2.gz ZBYSWNSDNCTSRM-HSZRJFAPSA-N 1 0 442.563 3.542 50 0 IHAARO Cc1nc(C(=O)NC[C@@H]2CCC3(CC[NH+](Cc4ccc5cccnc5c4)CC3)O2)cs1 ZINC000011840428 556364800 /nfs/dbraw/zinc/36/48/00/556364800.db2.gz WLZFWGSYMWVXQF-FQEVSTJZSA-N 1 0 436.581 3.943 50 0 IHAARO COC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccc(NC(=O)CCc3ccccc3)cc2)CC1 ZINC000011912507 556375482 /nfs/dbraw/zinc/37/54/82/556375482.db2.gz GPIQZGVKYBUBBT-DEOSSOPVSA-N 1 0 435.568 3.864 50 0 IHAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000011933182 556376865 /nfs/dbraw/zinc/37/68/65/556376865.db2.gz ANCLOIUOWUZSSR-UHFFFAOYSA-N 1 0 438.524 3.861 50 0 IHAARO CO[C@@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)c1ccccc1 ZINC000012050451 556392130 /nfs/dbraw/zinc/39/21/30/556392130.db2.gz NHQDRPZEZXUDJV-RUZDIDTESA-N 1 0 446.551 3.981 50 0 IHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000032655470 556413939 /nfs/dbraw/zinc/41/39/39/556413939.db2.gz HJRLQYVNBVHBGK-UHFFFAOYSA-N 1 0 429.446 3.681 50 0 IHAARO Cc1cccc(C2N=NC(=S)N2CCC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000012971260 556418776 /nfs/dbraw/zinc/41/87/76/556418776.db2.gz UBHJZXOUVJQRPM-OAQYLSRUSA-N 1 0 435.597 3.886 50 0 IHAARO CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1c(F)cccc1F)CC2 ZINC000014531832 556420650 /nfs/dbraw/zinc/42/06/50/556420650.db2.gz MRCJKDHDVRUJBU-UHFFFAOYSA-N 1 0 442.510 3.815 50 0 IHAARO CN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+](Cc1cccc(O)c1)CC2 ZINC000014534420 556422628 /nfs/dbraw/zinc/42/26/28/556422628.db2.gz JDSQVGMBBZHNLU-UHFFFAOYSA-N 1 0 429.520 3.974 50 0 IHAARO C/C=C(\C)C[NH+]1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2CCc1ccccc1 ZINC000014538236 556424361 /nfs/dbraw/zinc/42/43/61/556424361.db2.gz ICLXHDHHNKUFOQ-WSVFEZOKSA-N 1 0 432.568 3.889 50 0 IHAARO CC(C)N1C[C@@H](OCc2ccc(OC(F)(F)F)cc2)CN(Cc2cccnc2)CC1=O ZINC000014748655 556442316 /nfs/dbraw/zinc/44/23/16/556442316.db2.gz YUUDGKAYCDSMEN-FQEVSTJZSA-N 1 0 437.462 3.618 50 0 IHAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)O1)[C@H]1CCCO1 ZINC000014879162 556452366 /nfs/dbraw/zinc/45/23/66/556452366.db2.gz MZBDLDWGPWRXOH-RTBURBONSA-N 1 0 426.479 3.514 50 0 IHAARO Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)cc2)cc1 ZINC000013096782 556457680 /nfs/dbraw/zinc/45/76/80/556457680.db2.gz FKLWGJHZWRAXCY-HSZRJFAPSA-N 1 0 437.565 3.829 50 0 IHAARO COc1ccccc1CN1C[C@@H]2C[C@@H](/C=C/c3ccc(O)c(OC)c3)[N@H+]3CCC[C@@]23C1=O ZINC000014955795 556462350 /nfs/dbraw/zinc/46/23/50/556462350.db2.gz UECPGVDJNUIKKT-ZITNQKITSA-N 1 0 434.536 3.688 50 0 IHAARO COCCN(Cc1cccn1-c1ncccn1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000014957761 556462937 /nfs/dbraw/zinc/46/29/37/556462937.db2.gz MKOQGZNQWLAWEK-JOCHJYFZSA-N 1 0 445.611 3.595 50 0 IHAARO COCCN(Cc1cccn1-c1ncccn1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000014957757 556463143 /nfs/dbraw/zinc/46/31/43/556463143.db2.gz MKOQGZNQWLAWEK-QFIPXVFZSA-N 1 0 445.611 3.595 50 0 IHAARO CC(C)Cc1ccc(C[N@H+]2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)cc1 ZINC000014987000 556473091 /nfs/dbraw/zinc/47/30/91/556473091.db2.gz RIBMITBEQXHAGL-UHFFFAOYSA-N 1 0 449.574 3.533 50 0 IHAARO O=C(CCCc1ccccc1)Nc1cccc(N2CCC([NH2+][C@H]3CCCCNC3=O)CC2)c1 ZINC000014991685 556475360 /nfs/dbraw/zinc/47/53/60/556475360.db2.gz FDVIQKCVOMKRIZ-VWLOTQADSA-N 1 0 448.611 3.875 50 0 IHAARO O=C(c1cc(C2CC2)n[nH]1)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000015075260 556498864 /nfs/dbraw/zinc/49/88/64/556498864.db2.gz VQFIHSRXJZKAIR-LJQANCHMSA-N 1 0 447.505 3.733 50 0 IHAARO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@H+](Cc2cccn2-c2ncccn2)C1 ZINC000015075838 556499176 /nfs/dbraw/zinc/49/91/76/556499176.db2.gz XPKNPRCXNJQSQP-VWLOTQADSA-N 1 0 434.540 3.882 50 0 IHAARO O=C(NCc1ccccc1)NC1(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCC1 ZINC000032907954 556563977 /nfs/dbraw/zinc/56/39/77/556563977.db2.gz JLCHJRHRZDWKQS-UHFFFAOYSA-N 1 0 434.584 3.711 50 0 IHAARO COc1ccc(NC(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000036311498 556596509 /nfs/dbraw/zinc/59/65/09/556596509.db2.gz ZTJGKZCJCZVCHK-QHCPKHFHSA-N 1 0 439.531 3.790 50 0 IHAARO Cc1nccn1CC[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000036385844 556597790 /nfs/dbraw/zinc/59/77/90/556597790.db2.gz SKVQWKVVWUKGFC-UHFFFAOYSA-N 1 0 429.524 3.964 50 0 IHAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)[nH+]1 ZINC000017012568 556652735 /nfs/dbraw/zinc/65/27/35/556652735.db2.gz DJZXTQBJNQUPIY-UHFFFAOYSA-N 1 0 433.478 3.757 50 0 IHAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(=O)n2c3cc(C)c(C)cc3nc2s1 ZINC000033009078 556656248 /nfs/dbraw/zinc/65/62/48/556656248.db2.gz BQBDIFYSNIKGNW-QGZVFWFLSA-N 1 0 426.586 3.910 50 0 IHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(NC(=O)c2nnc(C3CC3)s2)c1 ZINC000033023042 556691141 /nfs/dbraw/zinc/69/11/41/556691141.db2.gz HRWGPLQMBZFURC-OAHLLOKOSA-N 1 0 427.574 3.662 50 0 IHAARO CC(C)[NH+]1CCC(N2CCN(Cc3nc(-c4ccccc4)cs3)C[C@@H]2CCO)CC1 ZINC000019337068 556738756 /nfs/dbraw/zinc/73/87/56/556738756.db2.gz JCYQSDAEJATOLS-QFIPXVFZSA-N 1 0 428.646 3.552 50 0 IHAARO COc1cc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4)CC3)C2)c2ccccc2n1 ZINC000055383925 556740788 /nfs/dbraw/zinc/74/07/88/556740788.db2.gz IYMSHHGPROEBOX-NRFANRHFSA-N 1 0 430.552 3.670 50 0 IHAARO NC(=O)CCN(Cc1ccccc1)C(=O)C[NH2+]C1(c2ccc(Cl)cc2)CCCCC1 ZINC000060368007 556748864 /nfs/dbraw/zinc/74/88/64/556748864.db2.gz ZQXZSBYIEOBSLV-UHFFFAOYSA-N 1 0 427.976 3.993 50 0 IHAARO Cc1ccc(-c2cnc(CCC(=O)Nc3ccc4oc(=O)n(CC[NH+](C)C)c4c3)o2)cc1 ZINC000058110627 556759097 /nfs/dbraw/zinc/75/90/97/556759097.db2.gz CANVKAWFXLPJJC-UHFFFAOYSA-N 1 0 434.496 3.691 50 0 IHAARO Cc1csc2nc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCCN3C(=O)OC(C)(C)C)cc(=O)n12 ZINC000058133672 556760279 /nfs/dbraw/zinc/76/02/79/556760279.db2.gz FTFLKOBZRCPQIJ-MSOLQXFVSA-N 1 0 432.590 3.818 50 0 IHAARO CC[N@@H+]1CCc2nc(-c3ccccc3)n(CC(=O)Nc3cccc(Cl)c3C)c(=O)c2C1 ZINC000062007144 556765393 /nfs/dbraw/zinc/76/53/93/556765393.db2.gz DQGGHZOPKBWSFK-UHFFFAOYSA-N 1 0 436.943 3.889 50 0 IHAARO CC(C)C(=O)Nc1nc(CC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cs1 ZINC000058218821 556773316 /nfs/dbraw/zinc/77/33/16/556773316.db2.gz ZGWAQIPJSKSWOT-UHFFFAOYSA-N 1 0 428.602 3.973 50 0 IHAARO O=C(CCCc1nc2cccnc2n1Cc1ccc(F)cc1)NCCC[NH+]1CCCCC1 ZINC000033072897 556852601 /nfs/dbraw/zinc/85/26/01/556852601.db2.gz WLBRAVNRTRVZAW-UHFFFAOYSA-N 1 0 437.563 3.934 50 0 IHAARO COc1ccccc1N1CC[NH+](C[C@H](O)COCCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000019731849 556876670 /nfs/dbraw/zinc/87/66/70/556876670.db2.gz JCRGONLOGVHSQU-JHLQHZFVSA-N 1 0 428.617 3.801 50 0 IHAARO CCC(=O)Nc1nc2ccc(CC(=O)NCCC[N@@H+]3CCc4ccccc4C3)cc2s1 ZINC000033252494 556893169 /nfs/dbraw/zinc/89/31/69/556893169.db2.gz BWUWDTCXFCRRGL-UHFFFAOYSA-N 1 0 436.581 3.752 50 0 IHAARO CC[NH+](CC)CCNCc1cc(Br)ccc1OCC(=O)NCc1ccccc1 ZINC000019922790 556943889 /nfs/dbraw/zinc/94/38/89/556943889.db2.gz ZWZQZNZHLHYERY-UHFFFAOYSA-N 1 0 448.405 3.576 50 0 IHAARO Clc1cccc(N2CC[NH+]([C@H]3CCCN(Cc4ccc5c(c4)OCCO5)C3)CC2)c1 ZINC000019939940 556953224 /nfs/dbraw/zinc/95/32/24/556953224.db2.gz LVPYCHKFQADOOW-QFIPXVFZSA-N 1 0 427.976 3.898 50 0 IHAARO CCC(=O)Nc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)c(C)c1 ZINC000023127729 557012138 /nfs/dbraw/zinc/01/21/38/557012138.db2.gz MKPIRIYGRZXBTE-UHFFFAOYSA-N 1 0 435.615 3.596 50 0 IHAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000010815214 557029896 /nfs/dbraw/zinc/02/98/96/557029896.db2.gz NKIPNRURUFRWJI-UHFFFAOYSA-N 1 0 443.613 3.941 50 0 IHAARO COc1cc(CNC[C@@H](O)C[NH+]2CCCC2)ccc1OCc1ccc(Br)cc1 ZINC000048314619 557064772 /nfs/dbraw/zinc/06/47/72/557064772.db2.gz FUMQTOHXAHTTQX-HXUWFJFHSA-N 1 0 449.389 3.583 50 0 IHAARO C[C@H](C(=O)N1CCC[C@@H]2C[N@H+](Cc3ccsc3)CC[C@H]21)c1n[nH]c(=O)c2ccccc21 ZINC000023130691 557066836 /nfs/dbraw/zinc/06/68/36/557066836.db2.gz BZSQTBQJVCZHEW-YRISNDGFSA-N 1 0 436.581 3.601 50 0 IHAARO C[NH+](C)[C@H](CNc1nc(CN2CCOCC2)nc2sc3c(c21)CCC3)c1cccs1 ZINC000023744780 557113631 /nfs/dbraw/zinc/11/36/31/557113631.db2.gz VSYDNBVKNTYLMU-MRXNPFEDSA-N 1 0 443.642 3.789 50 0 IHAARO Cc1ccc([C@H](CN2CCOCC2)[NH2+]CC(=O)N(Cc2ccco2)Cc2ccccc2)cc1 ZINC000049592426 557114755 /nfs/dbraw/zinc/11/47/55/557114755.db2.gz QXMKZMYXRFQDCB-SANMLTNESA-N 1 0 447.579 3.780 50 0 IHAARO Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000024832998 557171279 /nfs/dbraw/zinc/17/12/79/557171279.db2.gz VEDLZWHHJJSNDR-UHFFFAOYSA-N 1 0 438.494 3.926 50 0 IHAARO COc1cccc([C@@H](CNC(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)[NH+](C)C)c1 ZINC000026244927 557238089 /nfs/dbraw/zinc/23/80/89/557238089.db2.gz JNTQQJLCXVYSDX-LJQANCHMSA-N 1 0 441.553 3.869 50 0 IHAARO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCn1ccc2cccc(OC)c21 ZINC000583648164 557241190 /nfs/dbraw/zinc/24/11/90/557241190.db2.gz SPTNEQWEJPIDRG-YADHBBJMSA-N 1 0 427.589 3.780 50 0 biogenic IHAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCn1ccc2cccc(OC)c21 ZINC000583648163 557241263 /nfs/dbraw/zinc/24/12/63/557241263.db2.gz SPTNEQWEJPIDRG-VXKWHMMOSA-N 1 0 427.589 3.780 50 0 biogenic IHAARO CCOc1ccc(N2C(=O)C[C@H](NCCC[NH+]3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000100981066 557280542 /nfs/dbraw/zinc/28/05/42/557280542.db2.gz RDGCKXWYERWUKS-VWLOTQADSA-N 1 0 449.595 3.652 50 0 IHAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](CCSC)NC(=O)C1CCC(C)CC1 ZINC000004827271 557314893 /nfs/dbraw/zinc/31/48/93/557314893.db2.gz JGICMXVBUHVFAV-NSKBAKJYSA-N 1 0 425.683 3.821 50 0 IHAARO COc1ccc2[nH]cc(CC[NH2+][C@H]3CC(=O)N(c4ccccc4C(F)(F)F)C3=O)c2c1 ZINC000100205505 557367540 /nfs/dbraw/zinc/36/75/40/557367540.db2.gz ANVOYXQBOQUTPT-SFHVURJKSA-N 1 0 431.414 3.660 50 0 IHAARO Cc1sc2nc(CN3CCOCC3)nc(NC[C@H](c3ccco3)[NH+]3CCCC3)c2c1C ZINC000023990920 557390025 /nfs/dbraw/zinc/39/00/25/557390025.db2.gz YZMNSQHJQOGTOD-GOSISDBHSA-N 1 0 441.601 3.982 50 0 IHAARO c1ccc(C[NH+]2CCN(c3nnc(-c4ccccn4)n3CCOc3ccccc3)CC2)cc1 ZINC000408524858 557413823 /nfs/dbraw/zinc/41/38/23/557413823.db2.gz MLFBURVLLNOXIH-UHFFFAOYSA-N 1 0 440.551 3.741 50 0 IHAARO O=C(NC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@H]12 ZINC000104915832 557464410 /nfs/dbraw/zinc/46/44/10/557464410.db2.gz LCCATPJKQSSUME-FYYLOGMGSA-N 1 0 443.513 3.890 50 0 IHAARO O=C(c1ccc(Cn2ccccc2=O)o1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000107525202 557536392 /nfs/dbraw/zinc/53/63/92/557536392.db2.gz RCTGAWVVXCJCAZ-JTHBVZDNSA-N 1 0 431.536 3.616 50 0 IHAARO COc1cc(CN(C)Cc2cc(C)no2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000014981595 557633437 /nfs/dbraw/zinc/63/34/37/557633437.db2.gz OVCJIGOJNADGFU-OAQYLSRUSA-N 1 0 431.577 3.629 50 0 IHAARO COc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000225467127 557726037 /nfs/dbraw/zinc/72/60/37/557726037.db2.gz HKEUMLVRKAYWLK-QZTJIDSGSA-N 1 0 431.577 3.808 50 0 IHAARO COc1cccc([C@H](C)[NH2+][C@H](C)C(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000225467088 557726054 /nfs/dbraw/zinc/72/60/54/557726054.db2.gz HKEUMLVRKAYWLK-ZWKOTPCHSA-N 1 0 431.577 3.808 50 0 IHAARO Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC3([NH+](C)C)CCCCC3)c2)cc1 ZINC000003382765 562935105 /nfs/dbraw/zinc/93/51/05/562935105.db2.gz IYIHKGOIBVSWMU-UHFFFAOYSA-N 1 0 429.586 3.790 50 0 IHAARO Cc1c(O[C@H](C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc2c3c(c(=O)oc12)CCC3 ZINC000006659144 562948122 /nfs/dbraw/zinc/94/81/22/562948122.db2.gz PLBJLUVIAZBMHI-OAHLLOKOSA-N 1 0 426.557 3.783 50 0 IHAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2nn(C)c3c2COc2ccccc2-3)cc1 ZINC000008587745 562950473 /nfs/dbraw/zinc/95/04/73/562950473.db2.gz DNBTYSQTPKVZSD-UHFFFAOYSA-N 1 0 448.523 3.730 50 0 IHAARO CCc1ccc(-c2nc(C[S@](=O)CC(=O)NCCC[NH+]3CCC(C)CC3)c(C)o2)cc1 ZINC000008878424 562965691 /nfs/dbraw/zinc/96/56/91/562965691.db2.gz MWUQFOCZXKPSSG-WJOKGBTCSA-N 1 0 445.629 3.699 50 0 IHAARO Cc1c(C)c(=O)oc2c(C)c(OCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc12 ZINC000008970951 562966412 /nfs/dbraw/zinc/96/64/12/562966412.db2.gz VRLLXNGICVPSCU-UHFFFAOYSA-N 1 0 434.536 3.878 50 0 IHAARO COc1ccc(CNC(=S)Nc2ccc3nc(N4CC[NH+](C)CC4)cc(C)c3c2)cc1 ZINC000015961479 563020518 /nfs/dbraw/zinc/02/05/18/563020518.db2.gz WYYHHQCZFQNMOC-UHFFFAOYSA-N 1 0 435.597 3.790 50 0 IHAARO O=C(CSc1nncn1-c1cccc(Cl)c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063272577 568738406 /nfs/dbraw/zinc/73/84/06/568738406.db2.gz ODLWQQPJHDFCPU-UHFFFAOYSA-N 1 0 434.009 3.784 50 0 IHAARO CC[NH+](CC)CCN(C)C(=O)c1cnn(-c2ncc(C)c(-c3cccs3)n2)c1C1CC1 ZINC000299794724 568757699 /nfs/dbraw/zinc/75/76/99/568757699.db2.gz NELCOLLYOQLILH-UHFFFAOYSA-N 1 0 438.601 3.990 50 0 IHAARO CCOC(=O)c1csc(N2[NH2+]C(C=Cc3ccc(OC)cc3)=C[C@]2(O)C(F)(F)F)n1 ZINC000001415775 568790605 /nfs/dbraw/zinc/79/06/05/568790605.db2.gz HRVVNVVFUDMUHY-UKTKYZJWSA-N 1 0 441.431 3.859 50 0 IHAARO Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H]3CC[N@@H+](CC(C)C)C3)c2)c1 ZINC000084211140 568796195 /nfs/dbraw/zinc/79/61/95/568796195.db2.gz MAIUFDRCDWILQU-FQEVSTJZSA-N 1 0 443.613 3.812 50 0 IHAARO CCOC(=O)c1ccc(NC(=O)c2cnn(-c3cccc(F)c3)c2C2CC[NH2+]CC2)cc1 ZINC000015727053 568812714 /nfs/dbraw/zinc/81/27/14/568812714.db2.gz BAXPRBRXXYQRIK-UHFFFAOYSA-N 1 0 436.487 3.907 50 0 IHAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(NC(=O)c2ccc(Cl)nc2)cc1 ZINC000085879480 568839173 /nfs/dbraw/zinc/83/91/73/568839173.db2.gz YHYBAOJYCJJWPR-FXAWDEMLSA-N 1 0 426.948 3.982 50 0 biogenic IHAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O ZINC000015883338 568857599 /nfs/dbraw/zinc/85/75/99/568857599.db2.gz YKLUVVOIBFKMPC-SFHVURJKSA-N 1 0 438.547 3.824 50 0 IHAARO O[C@@H](COCc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000025664390 568880652 /nfs/dbraw/zinc/88/06/52/568880652.db2.gz VEXOBJRUMPTMPY-QZTJIDSGSA-N 1 0 426.538 3.782 50 0 IHAARO CC1CC[NH+](CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000006725290 568888712 /nfs/dbraw/zinc/88/87/12/568888712.db2.gz NIYPDIVOZPQQCN-VXKWHMMOSA-N 1 0 425.598 3.897 50 0 IHAARO CC1CC[NH+](Cc2ccc(CNC(=O)Cc3csc(NC(=O)C4CC4)n3)cc2)CC1 ZINC000013012401 568901163 /nfs/dbraw/zinc/90/11/63/568901163.db2.gz WJXCVQQIIDEOFZ-UHFFFAOYSA-N 1 0 426.586 3.582 50 0 IHAARO O[C@@H](COCCOc1ccc(Cl)cc1)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000242273777 568912520 /nfs/dbraw/zinc/91/25/20/568912520.db2.gz YFWIKFAGWQBGJA-CTNGQTDRSA-N 1 0 433.932 3.705 50 0 IHAARO C[C@H](Oc1ccc(C(=O)NCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cn1)c1ccccc1 ZINC000242178764 568912548 /nfs/dbraw/zinc/91/25/48/568912548.db2.gz XAQUWSHPQWWRIG-OFVILXPXSA-N 1 0 444.579 3.940 50 0 IHAARO CC(C)[NH+]1CCC(CC(=O)N2CCc3c(c(-c4nc(-c5ccccc5)no4)nn3C)C2)CC1 ZINC000064566329 568933213 /nfs/dbraw/zinc/93/32/13/568933213.db2.gz ZCQAAPHGTSTSOC-UHFFFAOYSA-N 1 0 448.571 3.532 50 0 IHAARO Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000064947168 568995233 /nfs/dbraw/zinc/99/52/33/568995233.db2.gz OIVIGHWBSFEYAA-UHFFFAOYSA-N 1 0 438.597 3.740 50 0 IHAARO COCC[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@@H](O)COC(C)C ZINC000036312968 568998178 /nfs/dbraw/zinc/99/81/78/568998178.db2.gz JRLBPCQTHLFODS-OAQYLSRUSA-N 1 0 431.577 3.566 50 0 IHAARO CCc1nc(-c2ccccc2)nc(N2CC[NH+](C[C@H](C)O)CC2)c1Cc1ccccc1F ZINC000036340843 569078812 /nfs/dbraw/zinc/07/88/12/569078812.db2.gz IMFOBSWHDSPAMX-IBGZPJMESA-N 1 0 434.559 3.939 50 0 IHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3cccc(OC)c3)C[C@@H]2c2ccccc2Cl)CC1 ZINC000036341039 569079084 /nfs/dbraw/zinc/07/90/84/569079084.db2.gz BDEWEAMUYHMWMV-HSZRJFAPSA-N 1 0 440.975 3.664 50 0 IHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccccc3OC)C[C@@H]2c2ccccc2Cl)CC1 ZINC000036343903 569079825 /nfs/dbraw/zinc/07/98/25/569079825.db2.gz ZQGJKOMAMGJVLZ-JOCHJYFZSA-N 1 0 440.975 3.664 50 0 IHAARO CCC[NH+]1CCN(CCCNC(=O)c2ccc(-c3noc(-c4ccccc4)n3)s2)CC1 ZINC000065063037 569097801 /nfs/dbraw/zinc/09/78/01/569097801.db2.gz HVSUISAUXCZPKK-UHFFFAOYSA-N 1 0 439.585 3.613 50 0 IHAARO O=C(c1csc(N2CCN(c3ccccc3)CC2)n1)N1CC[NH+](C2CCCCC2)CC1 ZINC000065211474 569116448 /nfs/dbraw/zinc/11/64/48/569116448.db2.gz FGZPVLYJQLJWAS-UHFFFAOYSA-N 1 0 439.629 3.560 50 0 IHAARO CC(C)[NH+]1CCC(CC(=O)N2CC[C@@]3(C2)NCc2ccccc2NC3=NC(C)(C)C)CC1 ZINC000065266020 569127446 /nfs/dbraw/zinc/12/74/46/569127446.db2.gz HJVNSPDTPWOAMX-SANMLTNESA-N 1 0 439.648 3.690 50 0 IHAARO C[NH+](C)CCCNC(=O)C1CCN(c2nc3ccc(-c4cccc(F)c4)nc3s2)CC1 ZINC000065272035 569128950 /nfs/dbraw/zinc/12/89/50/569128950.db2.gz ABHXODJZQMYUJB-UHFFFAOYSA-N 1 0 441.576 3.782 50 0 IHAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000036703057 569135735 /nfs/dbraw/zinc/13/57/35/569135735.db2.gz VDSNERPRHTXNHV-NJSNPTHGSA-N 1 0 435.612 3.585 50 0 IHAARO C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000065614909 569140292 /nfs/dbraw/zinc/14/02/92/569140292.db2.gz YZLXTBYHJROBQO-FQEVSTJZSA-N 1 0 434.367 3.976 50 0 IHAARO Cc1noc(C)c1CC(=O)OC1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000170609426 569144695 /nfs/dbraw/zinc/14/46/95/569144695.db2.gz QDANJLXUXNHVRT-UHFFFAOYSA-N 1 0 437.334 3.683 50 0 IHAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)cc1 ZINC000071813641 569154567 /nfs/dbraw/zinc/15/45/67/569154567.db2.gz SGERWDRFCNOMBM-CJFIXGCPSA-N 1 0 430.618 3.725 50 0 IHAARO [NH2+]=C1NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=N[C@H](c2c[nH]c3ccccc32)N1 ZINC000013579230 569156142 /nfs/dbraw/zinc/15/61/42/569156142.db2.gz JKYNLLBGEKWRCM-QGZVFWFLSA-N 1 0 446.458 3.831 50 0 IHAARO Cc1cc(Cl)cc(NC(=O)CSC2=N[C@H](c3c[nH]c4ccccc43)NC(=[NH2+])N2)c1 ZINC000013579216 569156156 /nfs/dbraw/zinc/15/61/56/569156156.db2.gz TVBRBBHLACZBOG-GOSISDBHSA-N 1 0 426.933 3.774 50 0 IHAARO COC(=O)c1ccc(CCC(=O)Nc2c(C)cnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000089702555 569161929 /nfs/dbraw/zinc/16/19/29/569161929.db2.gz OBIXQJJAHHPBNQ-QHCPKHFHSA-N 1 0 446.551 3.996 50 0 IHAARO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH2+]C4CCN(Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000002102957 569177270 /nfs/dbraw/zinc/17/72/70/569177270.db2.gz NILKEYZRQOIGIQ-CSXHVWADSA-N 1 0 438.612 3.526 50 0 IHAARO CCOc1cc(/C=C/C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc(Cl)c1OC ZINC000252452411 569184188 /nfs/dbraw/zinc/18/41/88/569184188.db2.gz HCNXHAAQEFNLEU-ZMRAKXQBSA-N 1 0 436.980 3.861 50 0 IHAARO COc1ccc(NC(=O)C2CC[NH+](C3CCN(C(=O)c4ccc(F)cc4)CC3)CC2)cc1 ZINC000034912141 569189775 /nfs/dbraw/zinc/18/97/75/569189775.db2.gz FSHPLZCPTDXMTO-UHFFFAOYSA-N 1 0 439.531 3.790 50 0 IHAARO CN([C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000170690733 569195784 /nfs/dbraw/zinc/19/57/84/569195784.db2.gz NISHWYGBUXMQHC-OALUTQOASA-N 1 0 447.567 3.663 50 0 IHAARO Cc1ccc(NC(=O)N2CCC3(CC2)C[C@@H]([NH+]2CCN(C(C)C)CC2)CCO3)cc1C ZINC000581819679 569211456 /nfs/dbraw/zinc/21/14/56/569211456.db2.gz AYHHWMNBVBAAML-QHCPKHFHSA-N 1 0 428.621 3.875 50 0 IHAARO CC(C)N1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)CCCc4ccccc4)CC3)C2)CC1 ZINC000581819799 569211608 /nfs/dbraw/zinc/21/16/08/569211608.db2.gz LOZAPEAOPWCCID-XMMPIXPASA-N 1 0 427.633 3.576 50 0 IHAARO Cc1cccc(C(=O)N2CCC3(CC2)C[C@H]([NH+]2CCN(c4ccccc4)CC2)CCO3)c1 ZINC000581820127 569211704 /nfs/dbraw/zinc/21/17/04/569211704.db2.gz TZJKEDUYLZFTKZ-RUZDIDTESA-N 1 0 433.596 3.971 50 0 IHAARO Cc1cccc2c(=O)n(CCC(=O)NC[C@H](c3cccs3)[NH+]3CCC(C)CC3)cnc12 ZINC000027575328 569273935 /nfs/dbraw/zinc/27/39/35/569273935.db2.gz SMRNGJJOTBVSLE-HXUWFJFHSA-N 1 0 438.597 3.746 50 0 IHAARO CCn1c2ccccc2nc1SCC(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000079066885 569324307 /nfs/dbraw/zinc/32/43/07/569324307.db2.gz GWXZMROBSMRTAP-UHFFFAOYSA-N 1 0 438.597 3.991 50 0 IHAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=S)Nc2ccc3nc4n(c(=O)c3c2)CCCCC4)C1 ZINC000020105262 569334299 /nfs/dbraw/zinc/33/42/99/569334299.db2.gz PZXNMOFCKCUILJ-ROUUACIJSA-N 1 0 441.645 3.777 50 0 IHAARO CCOC(CNC(=O)C1CC[NH+](Cc2nc(-c3ccc(CC)cc3)oc2C)CC1)OCC ZINC000020240774 569357706 /nfs/dbraw/zinc/35/77/06/569357706.db2.gz YMCDQRPKHSOUFY-UHFFFAOYSA-N 1 0 443.588 3.940 50 0 IHAARO COc1ccc(OC)c(/C=C/C(=O)NCCN2CCC([N@H+](C)[C@@H]3CCCC[C@@H]3C)CC2)c1 ZINC000020241354 569357875 /nfs/dbraw/zinc/35/78/75/569357875.db2.gz JBHCMNNNKJNDTL-AMSUJESPSA-N 1 0 443.632 3.808 50 0 IHAARO CCOc1cc(C[N@H+](C)CCNC(=O)N(C)C)ccc1OCCOc1ccc(C)cc1 ZINC000095997201 569378901 /nfs/dbraw/zinc/37/89/01/569378901.db2.gz FPCILETYWSTIHY-UHFFFAOYSA-N 1 0 429.561 3.555 50 0 IHAARO COc1ccc2c(C)c(CCC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)c(=O)oc2c1C ZINC000096343539 569396887 /nfs/dbraw/zinc/39/68/87/569396887.db2.gz BNENPFSHOGSPLL-WIYYLYMNSA-N 1 0 426.557 3.732 50 0 IHAARO O=C(/C=C\c1ccccc1)N1CCC(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000096578948 569401562 /nfs/dbraw/zinc/40/15/62/569401562.db2.gz OYWGSKNWCALNBB-GMAFFVFYSA-N 1 0 437.609 3.953 50 0 IHAARO COc1ccc2[nH]cc(/C=C(\NC(=O)c3ccccc3)C(=O)NCC[NH+]3CCCCC3)c2c1 ZINC000215697949 569412405 /nfs/dbraw/zinc/41/24/05/569412405.db2.gz JKAGQBHRBFDLSG-JLPGSUDCSA-N 1 0 446.551 3.550 50 0 IHAARO CC[C@@H](C)[N@H+](CCNC(=O)Cn1c2ccccc2c2nc(=O)cc(C)n21)C1CCCCC1 ZINC000002947747 569427021 /nfs/dbraw/zinc/42/70/21/569427021.db2.gz XGVVKGGRFAYRCW-GOSISDBHSA-N 1 0 437.588 3.507 50 0 IHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3cccc(CS(C)(=O)=O)c3)cc2)C1 ZINC000057586888 569440003 /nfs/dbraw/zinc/44/00/03/569440003.db2.gz AWMIBCHHVNWZIZ-RTBURBONSA-N 1 0 428.598 3.639 50 0 IHAARO COc1ccccc1-n1cnn(CN(CCCc2ccccc2)CC[NH+](C)C)c1=S ZINC000058005057 569444612 /nfs/dbraw/zinc/44/46/12/569444612.db2.gz DOQYHSHJLRDOED-UHFFFAOYSA-N 1 0 425.602 3.866 50 0 IHAARO Cc1cccc2c(=O)n(CC(=O)NCc3ccccc3-c3ccc(C[NH+](C)C)cc3)cnc12 ZINC000031078616 569453217 /nfs/dbraw/zinc/45/32/17/569453217.db2.gz YSJAAFGLAXOPGG-UHFFFAOYSA-N 1 0 440.547 3.750 50 0 IHAARO Cc1sc2ncn(CC(=O)NCc3ccc(C[NH+]4CCC(C)CC4)cc3)c(=O)c2c1C ZINC000031200895 569454810 /nfs/dbraw/zinc/45/48/10/569454810.db2.gz ROWPWKDHCFSDGY-UHFFFAOYSA-N 1 0 438.597 3.623 50 0 IHAARO COc1ccc([C@@H]2[C@@H](C(=O)NCCC[NH+]3CCC(C)CC3)c3ccccc3C(=O)N2C)cc1 ZINC000003657953 569455843 /nfs/dbraw/zinc/45/58/43/569455843.db2.gz QUZIZVIOMDBHGG-LOSJGSFVSA-N 1 0 449.595 3.844 50 0 IHAARO COc1ccccc1-c1noc(CCC(=O)NCC[N@@H+]2CCC[C@H](c3ccccc3)C2)n1 ZINC000670451823 569456504 /nfs/dbraw/zinc/45/65/04/569456504.db2.gz GEXWDAGLPLTSBU-FQEVSTJZSA-N 1 0 434.540 3.674 50 0 IHAARO CC(C)(C)[C@@H]([C@H](Oc1ccc(Cl)cc1)n1cncn1)n1nnnc1C1([NH3+])CCCCC1 ZINC000008856705 569479781 /nfs/dbraw/zinc/47/97/81/569479781.db2.gz SQPWJJVBRGREJT-MSOLQXFVSA-N 1 0 444.971 3.901 50 0 IHAARO CC(C)(C)[C@H]([C@@H](Oc1ccc(Cl)cc1)n1cncn1)n1nnnc1C1([NH3+])CCCCC1 ZINC000008856709 569479800 /nfs/dbraw/zinc/47/98/00/569479800.db2.gz SQPWJJVBRGREJT-ZWKOTPCHSA-N 1 0 444.971 3.901 50 0 IHAARO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]3CCC[N@@H+]3[C@@]23c2ccc(C)c(C)c2NC3=O)cc1 ZINC000008876783 569481143 /nfs/dbraw/zinc/48/11/43/569481143.db2.gz CZPABDAHSHILDK-UTAZYMRLSA-N 1 0 447.535 3.751 50 0 biogenic IHAARO Cc1ccc(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1NS(C)(=O)=O ZINC000040107929 569488460 /nfs/dbraw/zinc/48/84/60/569488460.db2.gz OPJHEPXXXFAXDM-QGZVFWFLSA-N 1 0 429.586 3.528 50 0 IHAARO COc1ccc(NC(=O)[C@@H]2C[C@H](CCSC)[NH2+][C@]23C(=O)Nc2ccc(C)cc23)cc1 ZINC000008995773 569495725 /nfs/dbraw/zinc/49/57/25/569495725.db2.gz FAPYWKDYRHITMC-NVVBAYIOSA-N 1 0 425.554 3.521 50 0 IHAARO Cc1ccc([C@H](NC(=O)CN2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c2cccs2)cc1 ZINC000245225233 569499539 /nfs/dbraw/zinc/49/95/39/569499539.db2.gz PXZFBPRVZMVVDZ-VTKNMLBTSA-N 1 0 441.641 3.836 50 0 IHAARO CCC[C@@H](O)C[N@H+](CC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC ZINC000245281348 569502116 /nfs/dbraw/zinc/50/21/16/569502116.db2.gz XKQXBFCDSGDCQY-UYAOXDASSA-N 1 0 446.613 3.744 50 0 IHAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc(C(C)=O)cc2OC)CC1 ZINC000009255481 569516578 /nfs/dbraw/zinc/51/65/78/569516578.db2.gz UQGXSQRHLBFEMX-UHFFFAOYSA-N 1 0 445.947 3.711 50 0 IHAARO COc1ccc2c(c1)oc1c(c2=O)[C@H](c2ccc(OC(C)C)cc2)N(CC[NH+](C)C)C1=O ZINC000009302762 569520876 /nfs/dbraw/zinc/52/08/76/569520876.db2.gz LYCPCYIRSRPVEB-QFIPXVFZSA-N 1 0 436.508 3.696 50 0 IHAARO CC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccc4c(c3)OCCO4)=NN12 ZINC000009461554 569537090 /nfs/dbraw/zinc/53/70/90/569537090.db2.gz QUWOBYQWEHDVJA-HXUWFJFHSA-N 1 0 435.524 3.822 50 0 IHAARO CC(C)(C)NC(=O)C[N@@H+]1CCCN(c2ncnc3scc(-c4ccc(F)cc4)c32)CC1 ZINC000009781364 569567539 /nfs/dbraw/zinc/56/75/39/569567539.db2.gz HCAWUHAZYMDOAV-UHFFFAOYSA-N 1 0 441.576 3.924 50 0 IHAARO CC[NH+](CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@@H]1c1cccc(OC)c1 ZINC000010233211 569579540 /nfs/dbraw/zinc/57/95/40/569579540.db2.gz OOKXDWHYROBBFG-QFIPXVFZSA-N 1 0 436.508 3.697 50 0 IHAARO Cn1cc([C@@H](CNS(=O)(=O)c2cccc(C(F)(F)F)c2)[NH+](C)C)c2ccccc21 ZINC000077171693 569585834 /nfs/dbraw/zinc/58/58/34/569585834.db2.gz MCLQNSDDRNQTAT-LJQANCHMSA-N 1 0 425.476 3.778 50 0 IHAARO CCC(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C(C)C)CC1)C(C)C ZINC000034835670 569587644 /nfs/dbraw/zinc/58/76/44/569587644.db2.gz HPCCERZMZXAGAL-UHFFFAOYSA-N 1 0 429.584 3.997 50 0 IHAARO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CC[NH+]1CCN(c2ccccc2F)CC1 ZINC000002282886 132251237 /nfs/dbraw/zinc/25/12/37/132251237.db2.gz MPFDARWAIXWWFJ-UHFFFAOYSA-N 1 0 438.503 3.553 50 0 IHAARO CCOc1cc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc(OCC)c1OCC ZINC000002871265 132257811 /nfs/dbraw/zinc/25/78/11/132257811.db2.gz JKCYTUYSNBOOIE-UHFFFAOYSA-N 1 0 427.545 3.887 50 0 IHAARO CC[NH+]1CCN(c2ccc(-n3c(C)nc4c(cnn4-c4ccccc4Cl)c3=O)cc2)CC1 ZINC000003959468 132268394 /nfs/dbraw/zinc/26/83/94/132268394.db2.gz GLPGZIANWMCPGK-UHFFFAOYSA-N 1 0 448.958 3.675 50 0 IHAARO Cc1cc(N2CCN(c3nc(N4CCOCC4)nc4ccccc43)CC2)c2ccccc2[nH+]1 ZINC000004258710 132271457 /nfs/dbraw/zinc/27/14/57/132271457.db2.gz LESDLCWOPPOKFO-UHFFFAOYSA-N 1 0 440.551 3.650 50 0 IHAARO Cn1c(CC[NH+]2CCN(c3ccccn3)CC2)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000009187624 132307707 /nfs/dbraw/zinc/30/77/07/132307707.db2.gz BGCIGULQOVVAOS-UHFFFAOYSA-N 1 0 440.551 3.585 50 0 IHAARO Cc1ccc(N2CCN(C(=O)c3cnn(-c4ccccc4)c3C3CC[NH2+]CC3)CC2)c(C)c1 ZINC000009227343 132309902 /nfs/dbraw/zinc/30/99/02/132309902.db2.gz NQUIGKJHHLCCAW-UHFFFAOYSA-N 1 0 443.595 3.919 50 0 IHAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)COc2cccc(Br)c2)CC1 ZINC000009469343 132318649 /nfs/dbraw/zinc/31/86/49/132318649.db2.gz ILYSSYHXHRBPHV-UHFFFAOYSA-N 1 0 438.753 3.872 50 0 IHAARO C[NH+]1CCN(c2ccccc2NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC000009789700 132329180 /nfs/dbraw/zinc/32/91/80/132329180.db2.gz UPEYAJRPWPDDFB-UHFFFAOYSA-N 1 0 429.520 3.687 50 0 IHAARO CC(C)[NH+](CCNC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)C(C)C ZINC000012734748 519647768 /nfs/dbraw/zinc/64/77/68/519647768.db2.gz JQWQXWNMYSSADU-UHFFFAOYSA-N 1 0 443.613 3.677 50 0 IHAARO CC(C)CCNC(=O)[C@@]1(C)CCC(=O)N1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000021776502 519659916 /nfs/dbraw/zinc/65/99/16/519659916.db2.gz QRZOOGRMEMBKGV-AREMUKBSSA-N 1 0 427.633 3.875 50 0 IHAARO CCC[NH+]1CCN(c2nnc(-n3cccc3C(=O)Nc3ccc(Cl)cc3)s2)CC1 ZINC000021535376 519860975 /nfs/dbraw/zinc/86/09/75/519860975.db2.gz VTYQNDFTGLZWSS-UHFFFAOYSA-N 1 0 430.965 3.767 50 0 IHAARO CCOCCC[NH2+][C@@H]1CCc2c(sc3ncn(CCc4ccc(OC)cc4)c(=O)c32)C1 ZINC000012455545 519898441 /nfs/dbraw/zinc/89/84/41/519898441.db2.gz GDZKPEYWFULTMO-GOSISDBHSA-N 1 0 441.597 3.583 50 0 IHAARO CCCOc1ccc(OCC(=O)NC2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)cc1 ZINC000095365188 520404595 /nfs/dbraw/zinc/40/45/95/520404595.db2.gz JLWIFZOSPPEMTP-UHFFFAOYSA-N 1 0 430.520 3.783 50 0 IHAARO CC[NH+](CC)CCN1C(=O)c2cc3oc(C)cc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021810857 520662779 /nfs/dbraw/zinc/66/27/79/520662779.db2.gz JDYYEAODNDAOJS-XMMPIXPASA-N 1 0 428.577 3.548 50 0 IHAARO CC[NH+](CC)CCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021525971 520663645 /nfs/dbraw/zinc/66/36/45/520663645.db2.gz AMGWANNPTOUWBT-XCNDVJPKSA-N 1 0 444.645 3.954 50 0 IHAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cnn(-c3nccc(-c4ccc(C)o4)n3)c2C2CC2)C1 ZINC000012192499 520844726 /nfs/dbraw/zinc/84/47/26/520844726.db2.gz CWSXRKORCXLCDX-GOSISDBHSA-N 1 0 434.544 3.664 50 0 IHAARO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000012737679 520864829 /nfs/dbraw/zinc/86/48/29/520864829.db2.gz WEZVASVLRIONIU-OXQOHEQNSA-N 1 0 446.389 3.767 50 0 IHAARO CCC[C@@]1(C2CC[NH+](Cc3c[nH]c4ccccc34)CC2)NC(=O)N(C[C@@H]2CCCO2)C1=O ZINC000012154833 520955630 /nfs/dbraw/zinc/95/56/30/520955630.db2.gz XSWRQTSYYFUEJP-CPJSRVTESA-N 1 0 438.572 3.650 50 0 IHAARO CCOc1ccc(CNC(=O)C2=C(C)C(=O)OC23CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000021868435 520981322 /nfs/dbraw/zinc/98/13/22/520981322.db2.gz MGOJVXXQAQXSBE-UHFFFAOYSA-N 1 0 434.536 3.610 50 0 biogenic IHAARO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@H+](Cc2cccc(OCCO)c2)C1 ZINC000012711055 521181724 /nfs/dbraw/zinc/18/17/24/521181724.db2.gz NBGRHOQHVSXXFF-RUZDIDTESA-N 1 0 427.541 3.672 50 0 IHAARO CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CCN1CC[NH+](CC)CC1 ZINC000020478219 521373397 /nfs/dbraw/zinc/37/33/97/521373397.db2.gz WPVPHSLEAQWASZ-UHFFFAOYSA-N 1 0 445.585 3.567 50 0 IHAARO CCOC(=O)c1noc2ncnc(NCC3CC[NH+](Cc4cccc(Cl)c4)CC3)c21 ZINC000035538561 521608425 /nfs/dbraw/zinc/60/84/25/521608425.db2.gz GOWRHZFCTHGIKV-UHFFFAOYSA-N 1 0 429.908 3.772 50 0 IHAARO COc1c(Br)cc2oc(C)c(C(=O)OCC[NH+](C)C)c2c1Br ZINC000012372290 521777611 /nfs/dbraw/zinc/77/76/11/521777611.db2.gz HSRKBXFZRYZLLG-UHFFFAOYSA-N 1 0 435.112 3.993 50 0 IHAARO COC(=O)c1ccc(C[NH+]2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)cc1 ZINC000012443833 522006001 /nfs/dbraw/zinc/00/60/01/522006001.db2.gz BLAPSKKTRPSITL-UHFFFAOYSA-N 1 0 432.524 3.688 50 0 IHAARO CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000022759680 522082553 /nfs/dbraw/zinc/08/25/53/522082553.db2.gz BMQNGCWVSABPHS-HXUWFJFHSA-N 1 0 443.594 3.606 50 0 IHAARO COc1cc(CN2CCC[C@@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)cc(OC)c1O ZINC000020877969 522373425 /nfs/dbraw/zinc/37/34/25/522373425.db2.gz HIOZOSYIYYXXSJ-OAQYLSRUSA-N 1 0 445.991 3.849 50 0 IHAARO COc1cc(CN2CCC[C@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)cc(OC)c1O ZINC000020877972 522377261 /nfs/dbraw/zinc/37/72/61/522377261.db2.gz HIOZOSYIYYXXSJ-NRFANRHFSA-N 1 0 445.991 3.849 50 0 IHAARO CCn1cc(C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)c(=O)c2ccc(C)nc21 ZINC000012407645 523335443 /nfs/dbraw/zinc/33/54/43/523335443.db2.gz ZWFHUUWCPYDSOX-UHFFFAOYSA-N 1 0 432.568 3.757 50 0 IHAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)c1csc(C(C)=O)c1 ZINC000012713350 523688054 /nfs/dbraw/zinc/68/80/54/523688054.db2.gz LDAJHISYAOOEID-UHFFFAOYSA-N 1 0 444.597 3.960 50 0 IHAARO CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1ccc(O)c(Cl)c1)CC2 ZINC000014531549 523716860 /nfs/dbraw/zinc/71/68/60/523716860.db2.gz IXAMXFLQBHHDTH-UHFFFAOYSA-N 1 0 427.932 3.517 50 0 IHAARO C[NH+]1CCN(CCCNC(=O)Cn2c(-c3cccs3)cc3cc(Cl)ccc32)CC1 ZINC000022795239 523896214 /nfs/dbraw/zinc/89/62/14/523896214.db2.gz HYCRYZUOLLRUQA-UHFFFAOYSA-N 1 0 431.005 3.777 50 0 IHAARO CCc1ccc([C@@H](CNC(=O)c2ccccc2SCC(=O)N2CCCC2)[NH+](C)C)cc1 ZINC000036062961 524029899 /nfs/dbraw/zinc/02/98/99/524029899.db2.gz IFFRYGLNLARGOL-JOCHJYFZSA-N 1 0 439.625 3.996 50 0 IHAARO CN(C(=O)C[NH+](C)C)[C@H](Cc1ccccc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000012132769 524041455 /nfs/dbraw/zinc/04/14/55/524041455.db2.gz CZNKRRLRYWMEKT-LECGRMGRSA-N 1 0 433.596 3.570 50 0 IHAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1CCN(c2nccnc2Sc2ccccc2)CC1 ZINC000035461460 524108365 /nfs/dbraw/zinc/10/83/65/524108365.db2.gz UVTRYGOHBVLFIH-LJQANCHMSA-N 1 0 439.629 3.835 50 0 IHAARO COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2cccc(C)c2)[C@H]1c1ccc(Cl)cc1 ZINC000008396297 524326175 /nfs/dbraw/zinc/32/61/75/524326175.db2.gz MYVQODHDBOYLTR-VNGKGULCSA-O 1 0 448.930 3.673 50 0 IHAARO COc1ccccc1N1CC[NH+](CCCNC(=O)Nc2ccccc2Br)CC1 ZINC000021175148 524554058 /nfs/dbraw/zinc/55/40/58/524554058.db2.gz BQCYCTQFRNHHRU-UHFFFAOYSA-N 1 0 447.377 3.792 50 0 IHAARO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H](C(C)C)[NH2+][C@@]23C(=O)Nc2c3cccc2Cl)c1 ZINC000015973347 524861206 /nfs/dbraw/zinc/86/12/06/524861206.db2.gz FWLWZNRQCPFTRS-WSZRMNBISA-N 1 0 443.931 3.777 50 0 IHAARO C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(S(C)(=O)=O)cc1 ZINC000057383149 525308601 /nfs/dbraw/zinc/30/86/01/525308601.db2.gz IRXNRVONMTYWJZ-INIZCTEOSA-N 1 0 444.553 3.811 50 0 IHAARO Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCC[NH+](C(C)C)C(C)C)c2)cc1F ZINC000012777801 525611737 /nfs/dbraw/zinc/61/17/37/525611737.db2.gz LATHKGOXQGQGSK-UHFFFAOYSA-N 1 0 435.565 3.784 50 0 IHAARO Cc1ccsc1C(=O)N1CCC([NH+]2CCC(C(=O)NCCc3ccccc3)CC2)CC1 ZINC000020784369 525817676 /nfs/dbraw/zinc/81/76/76/525817676.db2.gz VBCIGTGJUXESRN-UHFFFAOYSA-N 1 0 439.625 3.732 50 0 IHAARO COc1cccc(NC(=O)[C@@H]([NH2+]CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c2ccccc2)c1 ZINC000022735033 526197262 /nfs/dbraw/zinc/19/72/62/526197262.db2.gz YKDJXAVLKTUHBD-YYDVJCTNSA-N 1 0 425.573 3.852 50 0 IHAARO Cc1nn(Cc2ccccc2)c2sc(C(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)cc12 ZINC000022764151 526295974 /nfs/dbraw/zinc/29/59/74/526295974.db2.gz CTFPIFIOLNGROH-IBGZPJMESA-N 1 0 426.586 3.541 50 0 IHAARO Fc1cc(F)cc(-n2ncc3c2CCC[C@H]3[NH2+]Cc2cnc(N3CCOCC3)s2)c1 ZINC000012592614 526307900 /nfs/dbraw/zinc/30/79/00/526307900.db2.gz MKSIRQJYWLSEEK-LJQANCHMSA-N 1 0 431.512 3.611 50 0 IHAARO O=C(NC[C@H]1CCC[N@H+](CCc2ccccc2)C1)c1cn(Cc2cccc(Cl)c2)nn1 ZINC000012706713 526594850 /nfs/dbraw/zinc/59/48/50/526594850.db2.gz UBVNXTGHGMBZAN-OAQYLSRUSA-N 1 0 437.975 3.664 50 0 IHAARO O=C(CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)NCCC[NH+]1CCCC1 ZINC000020728301 526706865 /nfs/dbraw/zinc/70/68/65/526706865.db2.gz WUFHPQNJRKCSBW-JWGURIENSA-N 1 0 439.556 3.908 50 0 IHAARO Cc1nc(CN(C)Cc2cccc(OC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)c2)cs1 ZINC000012703342 526842585 /nfs/dbraw/zinc/84/25/85/526842585.db2.gz FGZFLVJMGXEIHT-DEOSSOPVSA-N 1 0 437.609 3.882 50 0 IHAARO [NH3+]C1(C(=O)N2CC(=O)N(c3cccc(-c4ccccc4)c3)C[C@@H]2Cc2ccccc2)CC1 ZINC000091595745 527124778 /nfs/dbraw/zinc/12/47/78/527124778.db2.gz MQULDFTZTCOLME-DEOSSOPVSA-N 1 0 425.532 3.631 50 0 IHAARO O=S(=O)(c1ccc2nc(N3CC[NH+](C4CCCCC4)CC3)ccc2c1)N1CCCCC1 ZINC000021881912 527281365 /nfs/dbraw/zinc/28/13/65/527281365.db2.gz YQNVHQWDSRCLQS-UHFFFAOYSA-N 1 0 442.629 3.864 50 0 IHAARO O=C(NC1CCCC1)c1ccc(N2CCC([NH2+]C[C@@H]3COc4ccccc4O3)CC2)cc1 ZINC000012452460 527511024 /nfs/dbraw/zinc/51/10/24/527511024.db2.gz IUZAMOPHBFRFIH-HSZRJFAPSA-N 1 0 435.568 3.757 50 0 IHAARO Cc1nn(-c2ccc(Cl)cc2)cc1-c1noc(C(=O)NCCC[NH+]2CCC(C)CC2)n1 ZINC000015729771 527525142 /nfs/dbraw/zinc/52/51/42/527525142.db2.gz LUYUYZGKGQVFRG-UHFFFAOYSA-N 1 0 442.951 3.736 50 0 IHAARO Cc1c(C(=O)NC2CCCCCC2)nnn1-c1cccc2c1CC[N@@H+](C1CCOCC1)C2 ZINC000071890386 555744392 /nfs/dbraw/zinc/74/43/92/555744392.db2.gz BYROGKUOZWWMNL-UHFFFAOYSA-N 1 0 437.588 3.565 50 0 IHAARO Cc1ccc(N2C[C@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC2=O)cc1Cl ZINC000034915992 555930220 /nfs/dbraw/zinc/93/02/20/555930220.db2.gz MENAPANYDAXDDZ-LJQANCHMSA-N 1 0 425.960 3.782 50 0 IHAARO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3Br)cc2)CC1 ZINC000004123079 555965810 /nfs/dbraw/zinc/96/58/10/555965810.db2.gz VZIJQDXBLQXOIU-UHFFFAOYSA-N 1 0 447.402 3.718 50 0 IHAARO COc1cc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCCCC3)cc2)cc(OC)c1OC ZINC000006288998 556084270 /nfs/dbraw/zinc/08/42/70/556084270.db2.gz IGFJSSZXUDOADC-UHFFFAOYSA-N 1 0 443.569 3.825 50 0 IHAARO COc1ccc(-c2nc(CC(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)cs2)cc1OC ZINC000032729952 556283292 /nfs/dbraw/zinc/28/32/92/556283292.db2.gz QZJUXVOKQPECBI-LJQANCHMSA-N 1 0 443.544 3.928 50 0 IHAARO COc1ccc2c(c1)oc1c(c2=O)[C@H](c2cccc(Cl)c2)N(CCC[NH+](C)C)C1=O ZINC000009348659 556284019 /nfs/dbraw/zinc/28/40/19/556284019.db2.gz GEZFZWRRYYDGDJ-FQEVSTJZSA-N 1 0 426.900 3.952 50 0 IHAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000032740909 556302017 /nfs/dbraw/zinc/30/20/17/556302017.db2.gz YAVLHBQRGIQSAM-UHFFFAOYSA-N 1 0 443.547 3.806 50 0 IHAARO COCCN(Cc1cnc(SC)nc1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011816305 556358678 /nfs/dbraw/zinc/35/86/78/556358678.db2.gz FHKDYRXWCUZBPA-LJQANCHMSA-N 1 0 426.630 3.526 50 0 IHAARO O=C(c1nc2ccccn2c1C[NH2+][C@@H](CCn1ccnc1)c1ccccc1)N1CCCC1 ZINC000011819167 556360898 /nfs/dbraw/zinc/36/08/98/556360898.db2.gz UIKIQPAEPWFVOY-NRFANRHFSA-N 1 0 428.540 3.688 50 0 IHAARO O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000014139813 556376066 /nfs/dbraw/zinc/37/60/66/556376066.db2.gz NFXZQBJAQARFFD-DEOSSOPVSA-N 1 0 449.595 3.766 50 0 IHAARO O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000014139812 556376174 /nfs/dbraw/zinc/37/61/74/556376174.db2.gz NFXZQBJAQARFFD-XMMPIXPASA-N 1 0 449.595 3.766 50 0 IHAARO O=c1c2c(ncn1Cc1ccccc1F)sc1c2CC[C@@H]([NH2+]CCc2ccccn2)C1 ZINC000011913670 556376141 /nfs/dbraw/zinc/37/61/41/556376141.db2.gz MVIFQGMHFOUKKW-GOSISDBHSA-N 1 0 434.540 3.730 50 0 IHAARO CCOC(=O)N1CCC(NC(=O)[C@H]2CC23CC[NH+](Cc2cc4ccccc4[nH]2)CC3)CC1 ZINC000011997017 556384165 /nfs/dbraw/zinc/38/41/65/556384165.db2.gz WLEKBGZHVIZRQJ-OAQYLSRUSA-N 1 0 438.572 3.507 50 0 IHAARO CN(Cc1cscn1)C(=O)[C@H]1CC12CC[NH+](Cc1cnn(-c3ccc(F)cc3)c1)CC2 ZINC000012041365 556390997 /nfs/dbraw/zinc/39/09/97/556390997.db2.gz GPPQJVQDLFBERS-OAQYLSRUSA-N 1 0 439.560 3.729 50 0 IHAARO C[C@H](COc1ccccc1)[NH+]1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000012089895 556401976 /nfs/dbraw/zinc/40/19/76/556401976.db2.gz MEOXHABTLFAPBN-GOSISDBHSA-N 1 0 448.523 3.969 50 0 IHAARO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)CCCc3nnc(-c4ccccc4)o3)cc2)C[C@@H](C)O1 ZINC000032665576 556417136 /nfs/dbraw/zinc/41/71/36/556417136.db2.gz MNTNQUDCFHNEAB-WOJBJXKFSA-N 1 0 448.567 3.985 50 0 IHAARO COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](C/C=C/c1ccccc1)CC2 ZINC000014530886 556420358 /nfs/dbraw/zinc/42/03/58/556420358.db2.gz IAROWIQURNYGNX-MDWZMJQESA-N 1 0 447.579 3.688 50 0 IHAARO CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC3([NH+](C)C)CCCCC3)CC2)cc1 ZINC000012991947 556428750 /nfs/dbraw/zinc/42/87/50/556428750.db2.gz LISXNGBCORULFH-UHFFFAOYSA-N 1 0 449.661 3.591 50 0 IHAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000014749611 556442968 /nfs/dbraw/zinc/44/29/68/556442968.db2.gz FUZUIAFROKJQSZ-KRWDZBQOSA-N 1 0 446.473 3.951 50 0 IHAARO COc1ccccc1[C@@H](CNC(=O)[C@H]1CCCN1C(=O)C1CCCCC1)[NH+]1CCCCC1 ZINC000072272712 556447146 /nfs/dbraw/zinc/44/71/46/556447146.db2.gz YWKJMAUFUWKFFU-DHIUTWEWSA-N 1 0 441.616 3.910 50 0 IHAARO COC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C(=O)[C@@H](OC)c3ccccc3)C2)cc1 ZINC000014957265 556462730 /nfs/dbraw/zinc/46/27/30/556462730.db2.gz SJVYLDOMOSAZMX-SGNDLWITSA-N 1 0 436.552 3.674 50 0 IHAARO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)CCn3cnc4ccccc43)C2)CC1 ZINC000015062622 556491112 /nfs/dbraw/zinc/49/11/12/556491112.db2.gz IOBYFHFHVGHMEO-QFIPXVFZSA-N 1 0 431.584 3.548 50 0 IHAARO O=C(NCc1cccnc1)C1CC[NH+](C2CCN(Cc3ccc(Cl)s3)CC2)CC1 ZINC000015068124 556493833 /nfs/dbraw/zinc/49/38/33/556493833.db2.gz SDJJLYAWJSLZRG-UHFFFAOYSA-N 1 0 433.021 3.789 50 0 IHAARO CC[C@@H](C)C(=O)NCc1nnc2n1CC[N@@H+](Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000015068684 556494228 /nfs/dbraw/zinc/49/42/28/556494228.db2.gz IYBXHSHJBCAGFL-LJQANCHMSA-N 1 0 433.556 3.791 50 0 IHAARO COc1ccc(CCc2nnc(CCC(=O)N[C@H]3CCC[N@H+](Cc4ccccc4)C3)o2)cc1 ZINC000015070767 556495801 /nfs/dbraw/zinc/49/58/01/556495801.db2.gz URBJKBFUIDOMTJ-QFIPXVFZSA-N 1 0 448.567 3.577 50 0 IHAARO COc1ccc(NC(=O)NCCC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000032885622 556510170 /nfs/dbraw/zinc/51/01/70/556510170.db2.gz JQQIMWYAUSUJHI-OAQYLSRUSA-N 1 0 444.963 3.814 50 0 IHAARO CCCc1cc(=O)oc2cc(OCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc12 ZINC000013555774 556516461 /nfs/dbraw/zinc/51/64/61/556516461.db2.gz YDKBJUPATBRYEC-UHFFFAOYSA-N 1 0 434.536 3.905 50 0 IHAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]2CCCN2C(=O)c2ccco2)cc1 ZINC000032908751 556566091 /nfs/dbraw/zinc/56/60/91/556566091.db2.gz UVHZVWUCPWMAHP-HSZRJFAPSA-N 1 0 431.536 3.929 50 0 IHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(OC)cc3)C[C@@H]2c2ccccc2Cl)CC1 ZINC000036341011 556596854 /nfs/dbraw/zinc/59/68/54/556596854.db2.gz TYWBYJCSIFHHDM-HSZRJFAPSA-N 1 0 440.975 3.664 50 0 IHAARO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000016599222 556616753 /nfs/dbraw/zinc/61/67/53/556616753.db2.gz QYVJZEBCFRMZEI-AUSIDOKSSA-N 1 0 443.613 3.591 50 0 IHAARO C[NH+](C)CCOc1ccc(NC(=O)[C@H](c2ccccc2)N2Cc3ccccc3C2=O)cc1 ZINC000409414298 556639822 /nfs/dbraw/zinc/63/98/22/556639822.db2.gz KKBZLIJLEMQUHM-DEOSSOPVSA-N 1 0 429.520 3.963 50 0 IHAARO CC(C)Cc1nnc(C(=O)Nc2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2)s1 ZINC000033011317 556659857 /nfs/dbraw/zinc/65/98/57/556659857.db2.gz JLISJONMXISQSZ-UHFFFAOYSA-N 1 0 429.590 3.595 50 0 IHAARO COc1cc(/C=C2\CCCC3=C2[NH+]=C2N=CNN2[C@H]3c2ccc(O)c(OC)c2)ccc1O ZINC000001107116 556690778 /nfs/dbraw/zinc/69/07/78/556690778.db2.gz OZBRQVWXQQYJJR-VOCPSOEZSA-N 1 0 432.480 3.896 50 0 IHAARO Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)NCC[NH+]1CCCCCC1 ZINC000046141288 556692506 /nfs/dbraw/zinc/69/25/06/556692506.db2.gz CMTVNGIJCWYNLQ-UHFFFAOYSA-N 1 0 446.598 3.928 50 0 IHAARO COc1ccc(CN(C)Cc2nccs2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000055152983 556736305 /nfs/dbraw/zinc/73/63/05/556736305.db2.gz WCBCLKBNJJTPID-NRFANRHFSA-N 1 0 441.597 3.655 50 0 IHAARO CC[NH+](CC)CCCn1c2c(c(SCC(=O)Nc3ccc(C)cc3)nc1=O)CCC2 ZINC000005254343 556747415 /nfs/dbraw/zinc/74/74/15/556747415.db2.gz GAUAKDULJIIKRK-UHFFFAOYSA-N 1 0 428.602 3.503 50 0 IHAARO C[C@H](C(=O)Nc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1)n1cccn1 ZINC000072015526 556747807 /nfs/dbraw/zinc/74/78/07/556747807.db2.gz GJNUKAMJWQKADY-TZIWHRDSSA-N 1 0 431.540 3.934 50 0 IHAARO CC[N@@H+]1CCc2nc(-c3ccccc3)n(CC(=O)Nc3cccc(SC)c3)c(=O)c2C1 ZINC000062007132 556765465 /nfs/dbraw/zinc/76/54/65/556765465.db2.gz ZAFUKKFZXHADGD-UHFFFAOYSA-N 1 0 434.565 3.649 50 0 IHAARO Cc1nn(C)c(C)c1NC(=O)[C@H](C)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000058173777 556768912 /nfs/dbraw/zinc/76/89/12/556768912.db2.gz IAIXLBKGBXHOOB-FQEVSTJZSA-N 1 0 446.599 3.798 50 0 IHAARO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2ccc(C(=O)NC)cc2C)CC1 ZINC000058357007 556782751 /nfs/dbraw/zinc/78/27/51/556782751.db2.gz GZGLZCSNNLQDKQ-KRWDZBQOSA-N 1 0 441.551 3.518 50 0 IHAARO CSc1cccc(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCCCC4)n3)CC2)c1 ZINC000065364185 556835436 /nfs/dbraw/zinc/83/54/36/556835436.db2.gz HHUFXXARUBDPRD-UHFFFAOYSA-N 1 0 426.590 3.851 50 0 IHAARO CC(=O)Nc1ccc(C[NH+]2CCN(c3nc(-c4ccccc4)nc4c3CCC4)CC2)cc1 ZINC000019836474 556928352 /nfs/dbraw/zinc/92/83/52/556928352.db2.gz PQTVIMGXZBMJSX-UHFFFAOYSA-N 1 0 427.552 3.913 50 0 IHAARO COc1cccc(CN2CC[NH+]([C@H]3CCC(=O)N(Cc4ccc(F)cc4F)CC3)CC2)c1 ZINC000019837109 556928361 /nfs/dbraw/zinc/92/83/61/556928361.db2.gz GPOPBUYWCDVZQZ-QFIPXVFZSA-N 1 0 443.538 3.672 50 0 IHAARO CCOc1cc(C)c(Br)cc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000019909528 556942911 /nfs/dbraw/zinc/94/29/11/556942911.db2.gz NIFOGGXWCTWWJQ-UHFFFAOYSA-N 1 0 433.412 3.744 50 0 IHAARO CC[NH+](CC)CCN(C(=O)[C@H]1COc2ccccc2O1)c1nc2c(cccc2F)s1 ZINC000013958418 557015696 /nfs/dbraw/zinc/01/56/96/557015696.db2.gz VNRWBEKIXCUCCK-GOSISDBHSA-N 1 0 429.517 3.950 50 0 IHAARO COc1cn(CC(=O)Nc2ccccc2C(F)(F)F)c(C[NH+]2CCC(C)CC2)cc1=O ZINC000017246029 557044693 /nfs/dbraw/zinc/04/46/93/557044693.db2.gz LTNOCJYKURRAES-UHFFFAOYSA-N 1 0 437.462 3.746 50 0 IHAARO Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)NCC[NH+](C(C)C)C(C)C ZINC000048287466 557053246 /nfs/dbraw/zinc/05/32/46/557053246.db2.gz SCXZZRCRKQRRMB-UHFFFAOYSA-N 1 0 425.499 3.680 50 0 IHAARO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000048286315 557058453 /nfs/dbraw/zinc/05/84/53/557058453.db2.gz LOHHOWLCEFWUJV-LVCYWYKZSA-N 1 0 449.599 3.532 50 0 IHAARO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000048286317 557058514 /nfs/dbraw/zinc/05/85/14/557058514.db2.gz LOHHOWLCEFWUJV-UEXGIBASSA-N 1 0 449.599 3.532 50 0 IHAARO CCC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C[NH2+]CCCN1CCOCC1 ZINC000004747697 557070044 /nfs/dbraw/zinc/07/00/44/557070044.db2.gz PCIDNUIXIXMUBH-UHFFFAOYSA-N 1 0 429.586 3.567 50 0 IHAARO CC[NH+](CC)[C@H](CNC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2)Cc1ccccc1 ZINC000048366858 557075387 /nfs/dbraw/zinc/07/53/87/557075387.db2.gz QRPQBWBZNWCKPW-INIZCTEOSA-N 1 0 430.936 3.746 50 0 IHAARO CCn1ncc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)c1C ZINC000023231802 557075637 /nfs/dbraw/zinc/07/56/37/557075637.db2.gz GNXJFAFXXXITRA-DEOSSOPVSA-N 1 0 437.632 3.548 50 0 IHAARO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@H+](Cc2c(C)n(C)n(-c3ccccc3)c2=O)C1 ZINC000023340338 557085940 /nfs/dbraw/zinc/08/59/40/557085940.db2.gz CYZYKKXNTYZMBQ-GOSISDBHSA-N 1 0 437.515 3.727 50 0 IHAARO O=C(CC[C@H]1CCC[N@@H+](C2CSCCSC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000023379887 557088807 /nfs/dbraw/zinc/08/88/07/557088807.db2.gz OZFVJXCLMSUIEZ-JOCHJYFZSA-N 1 0 447.714 3.672 50 0 IHAARO O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023736087 557112145 /nfs/dbraw/zinc/11/21/45/557112145.db2.gz ZZYQLANOQAYZLR-XMMPIXPASA-N 1 0 449.595 3.699 50 0 IHAARO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]CC(=O)N(Cc2ccco2)Cc2ccccc2)cc1 ZINC000049592423 557114854 /nfs/dbraw/zinc/11/48/54/557114854.db2.gz QXMKZMYXRFQDCB-AREMUKBSSA-N 1 0 447.579 3.780 50 0 IHAARO c1cc2cc(c1)OCCOCCOCCOc1cccc(c1)C[NH2+][C@@H]1CCCC[C@H]1NC2 ZINC000095099916 557156063 /nfs/dbraw/zinc/15/60/63/557156063.db2.gz PRVQLIQFJVFWJA-CLJLJLNGSA-N 1 0 440.584 3.682 50 0 IHAARO CC[NH+](CC)[C@H](CNC(=O)CCC(=O)c1ccc(OC)c(OC)c1)c1cccc(OC)c1 ZINC000024841423 557173198 /nfs/dbraw/zinc/17/31/98/557173198.db2.gz GSONHUCWEGXZIM-OAQYLSRUSA-N 1 0 442.556 3.875 50 0 IHAARO CC1=NN(c2ccccc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CC[N@@H+](C)C[C@H]12 ZINC000025184535 557199438 /nfs/dbraw/zinc/19/94/38/557199438.db2.gz BFOGSGSBDUJOMY-RBBKRZOGSA-N 1 0 439.357 3.535 50 0 biogenic IHAARO CCOc1c(Br)cc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1OC ZINC000025329013 557204426 /nfs/dbraw/zinc/20/44/26/557204426.db2.gz LWHKJDYATIBUCI-OAHLLOKOSA-N 1 0 427.364 3.951 50 0 IHAARO CCOc1c(Br)cc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1OC ZINC000025329014 557204603 /nfs/dbraw/zinc/20/46/03/557204603.db2.gz LWHKJDYATIBUCI-HNNXBMFYSA-N 1 0 427.364 3.951 50 0 IHAARO COc1cc(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1OCc1ccccc1 ZINC000025973310 557231383 /nfs/dbraw/zinc/23/13/83/557231383.db2.gz VVEBGJHTCCNDTE-KDURUIRLSA-N 1 0 442.556 3.512 50 0 IHAARO O=C(CSc1ccccc1C(=O)N1CCC[N@H+](Cc2cccs2)CC1)N1CCCC1 ZINC000069981279 557248147 /nfs/dbraw/zinc/24/81/47/557248147.db2.gz LFSMNBBJFXAFAP-UHFFFAOYSA-N 1 0 443.638 3.811 50 0 IHAARO Cc1nn(-c2ccc(C(=O)NCc3ccccc3CN3CCOCC3)cc2)c(C)c1Cl ZINC000018214020 557252620 /nfs/dbraw/zinc/25/26/20/557252620.db2.gz LJMVFSNZQGEDFV-UHFFFAOYSA-N 1 0 438.959 3.905 50 0 IHAARO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000027674743 557271224 /nfs/dbraw/zinc/27/12/24/557271224.db2.gz MXODSKFZFFGHJB-IAGOWNOFSA-N 1 0 440.034 3.672 50 0 IHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](N1CCCCC1)S2 ZINC000103891380 557442268 /nfs/dbraw/zinc/44/22/68/557442268.db2.gz FDHSAMVGGYCYTJ-SBUREZEXSA-N 1 0 430.618 3.537 50 0 IHAARO C[C@H]1CC[C@@H]2[N@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5C[C@@H](O)CC[C@]45C)[C@@H]3CC[C@H]1[C@@]2(C)O ZINC000103931735 557442833 /nfs/dbraw/zinc/44/28/33/557442833.db2.gz IQDIERHFZVCNRZ-QUGCUGBHSA-N 1 0 429.645 3.886 50 0 IHAARO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000242302193 557847585 /nfs/dbraw/zinc/84/75/85/557847585.db2.gz YQIQWAGRBBNPKN-AFAVFJNCSA-N 1 0 431.346 3.996 50 0 IHAARO Cc1c(CCOC(=O)CC23CC4CC(CC(C4)C2)C3)sc[n+]1Cc1cnc(C)nc1N ZINC000008398853 562949318 /nfs/dbraw/zinc/94/93/18/562949318.db2.gz QZHVTDMGCHUGCM-UHFFFAOYSA-N 1 0 441.621 3.765 50 0 IHAARO CC1CC[NH+](CCCn2c(=O)c3ccccc3nc2SCC(=O)NC2CCCC2)CC1 ZINC000009472845 562971798 /nfs/dbraw/zinc/97/17/98/562971798.db2.gz XRHYRBBOMBTYJV-UHFFFAOYSA-N 1 0 442.629 3.669 50 0 IHAARO Cc1cc(C(=O)NC[C@@H]2CCC3(CC[NH+](Cc4ccc5ccccc5c4)CC3)O2)n(C)n1 ZINC000011910224 562979704 /nfs/dbraw/zinc/97/97/04/562979704.db2.gz WRFPLNSPRPNEPB-QHCPKHFHSA-N 1 0 432.568 3.825 50 0 IHAARO O=C(CCc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2ccc(OCCO)cc2)CC1 ZINC000012710983 562983002 /nfs/dbraw/zinc/98/30/02/562983002.db2.gz PDKHELWBOSLQOL-UHFFFAOYSA-N 1 0 448.567 3.663 50 0 IHAARO Cc1csc2nc(C[N@@H+]3CCCC[C@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)cc(=O)n12 ZINC000106172008 568624960 /nfs/dbraw/zinc/62/49/60/568624960.db2.gz FTFLKOBZRCPQIJ-ZWKOTPCHSA-N 1 0 432.590 3.818 50 0 IHAARO CCCCN(C)C(=O)COc1ccc(-c2ccc(F)cc2)cc1CN1CC[NH+](C)CC1 ZINC000299757181 568755532 /nfs/dbraw/zinc/75/55/32/568755532.db2.gz IVWMYVLONUCLRQ-UHFFFAOYSA-N 1 0 427.564 3.877 50 0 IHAARO Cc1c(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(=O)n(-c2ccccc2)n1C ZINC000084005336 568789721 /nfs/dbraw/zinc/78/97/21/568789721.db2.gz BFPXGAFMOWOYNV-CVDCTZTESA-N 1 0 447.583 3.859 50 0 IHAARO CCOC(=O)c1csc(N2[NH2+]C(C=Cc3ccc(OC)cc3)=C[C@@]2(O)C(F)(F)F)n1 ZINC000001415777 568790611 /nfs/dbraw/zinc/79/06/11/568790611.db2.gz HRVVNVVFUDMUHY-WEBJUUICSA-N 1 0 441.431 3.859 50 0 IHAARO CC(C)CCO[C@@H](C)C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000084510675 568798434 /nfs/dbraw/zinc/79/84/34/568798434.db2.gz LEWJPURUDAWITJ-KRWDZBQOSA-N 1 0 441.410 3.860 50 0 IHAARO CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000015773661 568823040 /nfs/dbraw/zinc/82/30/40/568823040.db2.gz YNTKYIKRRGCLJH-RUZDIDTESA-N 1 0 433.596 3.815 50 0 IHAARO COc1ccc(C[N@@H+]2CCN(Cc3c[nH]nc3-c3cccc(F)c3)C[C@H]2CCO)cc1C ZINC000107100184 568837503 /nfs/dbraw/zinc/83/75/03/568837503.db2.gz XLVYXBDWDWIEFP-HSZRJFAPSA-N 1 0 438.547 3.602 50 0 IHAARO Cc1c(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(=O)n(-c2ccccc2)n1C ZINC000239619582 568911709 /nfs/dbraw/zinc/91/17/09/568911709.db2.gz BFPXGAFMOWOYNV-AUSIDOKSSA-N 1 0 447.583 3.859 50 0 IHAARO O[C@H](COCCOc1ccc(Cl)cc1)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000242273778 568912594 /nfs/dbraw/zinc/91/25/94/568912594.db2.gz YFWIKFAGWQBGJA-FPOVZHCZSA-N 1 0 433.932 3.705 50 0 IHAARO CCc1ccc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(NC4CCCCC4)n3)CC2)cc1 ZINC000064814582 568964185 /nfs/dbraw/zinc/96/41/85/568964185.db2.gz WDHFVASXJMUFLL-UHFFFAOYSA-N 1 0 443.617 3.603 50 0 IHAARO CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681032 568991497 /nfs/dbraw/zinc/99/14/97/568991497.db2.gz UNUUSPPVXPCZOS-CTNGQTDRSA-N 1 0 435.465 3.844 50 0 IHAARO C[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)C1 ZINC000006875484 569095102 /nfs/dbraw/zinc/09/51/02/569095102.db2.gz ARPVPDNHDJLZID-ZPMCFJSWSA-N 1 0 425.598 3.897 50 0 IHAARO CC(C)c1nc2c(c(=O)n1CC(=O)N(C)c1ccccc1)C[N@H+](Cc1ccccc1)CC2 ZINC000065153610 569112061 /nfs/dbraw/zinc/11/20/61/569112061.db2.gz HOUPLXIFNQEPHK-UHFFFAOYSA-N 1 0 430.552 3.588 50 0 IHAARO O=C(c1csc(-c2ccc(N3CCCC3)nc2)n1)N1CC[NH+](C2CCCCC2)CC1 ZINC000065165136 569112936 /nfs/dbraw/zinc/11/29/36/569112936.db2.gz FDRIVUGYRRCVLR-UHFFFAOYSA-N 1 0 425.602 3.896 50 0 IHAARO Cc1ccc(C(=O)N2CCC[C@@]3(C2)Nc2cccnc2[NH+]=C3NCc2ccccc2)cn1 ZINC000065265684 569127078 /nfs/dbraw/zinc/12/70/78/569127078.db2.gz JDTQADFPPWWRMN-VWLOTQADSA-N 1 0 426.524 3.705 50 0 biogenic IHAARO Cc1occc1C(=O)Nc1nc(CC(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)cs1 ZINC000170599181 569142448 /nfs/dbraw/zinc/14/24/48/569142448.db2.gz AWVDFKLEANYAHF-UHFFFAOYSA-N 1 0 430.574 3.634 50 0 IHAARO COc1ccc([C@@H]([NH2+]CC2(OC)CCOCC2)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000170606850 569144084 /nfs/dbraw/zinc/14/40/84/569144084.db2.gz PGZCZZJPYAIFMH-LEWJYISDSA-N 1 0 434.577 3.921 50 0 IHAARO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(N2CCCC2=O)ccc1F ZINC000089977228 569169404 /nfs/dbraw/zinc/16/94/04/569169404.db2.gz XWKKFGAZXXLKHU-FQEVSTJZSA-N 1 0 439.531 3.785 50 0 IHAARO Cn1nc2nc(N3CC[NH+](Cc4ccccc4)CC3)nc(-c3ccc(Cl)cc3)c2c1N ZINC000037357996 569175650 /nfs/dbraw/zinc/17/56/50/569175650.db2.gz DNBAYDFWNXFKOS-UHFFFAOYSA-N 1 0 433.947 3.588 50 0 IHAARO CC(C)[NH+]1CCN(c2nc3nn(-c4cccc(F)c4)c(N)c3c(-c3cccc(F)c3)n2)CC1 ZINC000037359781 569181468 /nfs/dbraw/zinc/18/14/68/569181468.db2.gz RDFNRPDMQCFMKN-UHFFFAOYSA-N 1 0 449.509 3.873 50 0 IHAARO C[C@H]1CC[C@@H]2[N@@H+](C[C@@H]3[C@@H]4C[C@@H]5[C@H](CC(=O)[C@@H]6C[C@@H](O)CC[C@]56C)[C@H]4CC[C@H]3[C@]2(C)O)C1 ZINC000252441159 569183683 /nfs/dbraw/zinc/18/36/83/569183683.db2.gz IQDIERHFZVCNRZ-HVRRLTESSA-N 1 0 429.645 3.886 50 0 IHAARO Cc1cc(N2CC[C@]3(O)CCCC[C@@H]3C2)nc([C@H](C)N2CC[C@@]3(O)CCCC[C@H]3C2)n1 ZINC000252476810 569185723 /nfs/dbraw/zinc/18/57/23/569185723.db2.gz BZEVBUNFRZVASC-NEWSNEBISA-N 1 0 428.621 3.604 50 0 IHAARO C[NH+](C)CCNC(=O)Cc1cccc(N(Cc2ccc(F)cc2)C(=O)c2cccs2)c1 ZINC000037601069 569202288 /nfs/dbraw/zinc/20/22/88/569202288.db2.gz QUMGBJSJLWCDJD-UHFFFAOYSA-N 1 0 439.556 3.955 50 0 IHAARO CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000002214484 569202808 /nfs/dbraw/zinc/20/28/08/569202808.db2.gz FPNPKKNUBZDJTB-UJAPCULTSA-N 1 0 449.938 3.642 50 0 IHAARO Cc1cccc2c(=O)n(CCC(=O)NC[C@@H](c3cccs3)[NH+]3CCC(C)CC3)cnc12 ZINC000027575324 569273907 /nfs/dbraw/zinc/27/39/07/569273907.db2.gz SMRNGJJOTBVSLE-FQEVSTJZSA-N 1 0 438.597 3.746 50 0 IHAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cccn2c(=O)c3c(nc12)sc1c3CCCC1 ZINC000009677837 569297757 /nfs/dbraw/zinc/29/77/57/569297757.db2.gz FREJBXKCQKLHJZ-HZPDHXFCSA-N 1 0 438.597 3.781 50 0 IHAARO Cc1c(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)cnn1-c1ccc(Br)cc1 ZINC000225407303 569297974 /nfs/dbraw/zinc/29/79/74/569297974.db2.gz ZENVVZXTOQNRNR-OXQOHEQNSA-N 1 0 431.378 3.938 50 0 biogenic IHAARO Cn1c2cn(-c3ccc(C[NH+]4CCCCC4)cc3)c(-c3ccccc3)c2c(=O)n(C)c1=O ZINC000002418858 569301689 /nfs/dbraw/zinc/30/16/89/569301689.db2.gz YZQCGWPFHMHQGI-UHFFFAOYSA-N 1 0 428.536 3.681 50 0 IHAARO C[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccc(-c2ccccc2)cc1 ZINC000013113108 569310625 /nfs/dbraw/zinc/31/06/25/569310625.db2.gz MRBNTRMQHFRSKC-QZTJIDSGSA-N 1 0 437.565 3.529 50 0 IHAARO C[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccc(-c2ccccc2)cc1 ZINC000013113107 569310698 /nfs/dbraw/zinc/31/06/98/569310698.db2.gz MRBNTRMQHFRSKC-ROUUACIJSA-N 1 0 437.565 3.529 50 0 IHAARO CS(=O)(=O)Cc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)cc1 ZINC000078879439 569320037 /nfs/dbraw/zinc/32/00/37/569320037.db2.gz RXUWZAIMYQGVLG-UHFFFAOYSA-N 1 0 440.609 3.892 50 0 IHAARO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C2(Sc3ccccc3)CCCC2)CC1 ZINC000079025030 569322811 /nfs/dbraw/zinc/32/28/11/569322811.db2.gz QLNSTQHQYLJLIY-UHFFFAOYSA-N 1 0 431.646 3.834 50 0 IHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=S)Nc2ccc3nc4n(c(=O)c3c2)CCCCC4)C1 ZINC000020105257 569334301 /nfs/dbraw/zinc/33/43/01/569334301.db2.gz PZXNMOFCKCUILJ-QZTJIDSGSA-N 1 0 441.645 3.777 50 0 IHAARO CCn1c(=O)cc(OCC(=O)NCC2CC[NH+](Cc3cccc(C)c3)CC2)c2ccccc21 ZINC000020280351 569358628 /nfs/dbraw/zinc/35/86/28/569358628.db2.gz GVGPJCQUORPVOW-UHFFFAOYSA-N 1 0 447.579 3.737 50 0 IHAARO C[NH+](C)CCN(Cc1ccncc1)C(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O ZINC000095418261 569365459 /nfs/dbraw/zinc/36/54/59/569365459.db2.gz IDCYQNMDIBRXJS-UHFFFAOYSA-N 1 0 442.922 3.728 50 0 IHAARO C[N@H+](CC(=O)Nc1ccccc1Cl)C1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000095459845 569369517 /nfs/dbraw/zinc/36/95/17/569369517.db2.gz FJNYEYCXPANBJC-UHFFFAOYSA-N 1 0 449.382 3.967 50 0 IHAARO COc1cc(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)ccc1OCc1cscn1 ZINC000095463208 569370281 /nfs/dbraw/zinc/37/02/81/569370281.db2.gz GBLADRYTIJTCQP-QGZVFWFLSA-N 1 0 425.554 3.981 50 0 IHAARO C[N@@H+]1CC[C@@H]2CCN(c3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c43)[C@@H]2C1 ZINC000095466034 569370782 /nfs/dbraw/zinc/37/07/82/569370782.db2.gz PAONISKTPOCKSH-TZIWHRDSSA-N 1 0 449.624 3.721 50 0 IHAARO COc1ccc(C[NH+]2CCC(NC(=O)c3cccc(Nc4ncccn4)c3)CC2)cc1OC ZINC000095475552 569372731 /nfs/dbraw/zinc/37/27/31/569372731.db2.gz RUEWEBIKEDRDEC-UHFFFAOYSA-N 1 0 447.539 3.632 50 0 IHAARO FC(F)(F)c1nc2cc3c(cc2c(NCC2([NH+]4CCOCC4)CCCCC2)n1)OCO3 ZINC000095948921 569376518 /nfs/dbraw/zinc/37/65/18/569376518.db2.gz RDYZREIUPBJMTJ-UHFFFAOYSA-N 1 0 438.450 3.824 50 0 IHAARO Cc1ccc(-n2c(CC(=O)N3CCC([NH+]4CCCCC4)CC3)c3[nH]cccc-3c2=O)cc1 ZINC000096386910 569398725 /nfs/dbraw/zinc/39/87/25/569398725.db2.gz YYDVQTTYQMNUNO-HSZRJFAPSA-N 1 0 432.568 3.959 50 0 IHAARO Cc1ccc(-n2c(CC(=O)N3CC[NH+](C4CCCCC4)CC3)c3[nH]cccc-3c2=O)cc1 ZINC000096386954 569398794 /nfs/dbraw/zinc/39/87/94/569398794.db2.gz WPLCVRKYTCUFNV-HSZRJFAPSA-N 1 0 432.568 3.959 50 0 IHAARO CCOC(=O)C1=C(C)N(CC[NH+](C)C)C(C)=C(C(=O)OCC)C1c1ccccc1Cl ZINC000096562128 569401030 /nfs/dbraw/zinc/40/10/30/569401030.db2.gz OYKTUBCLEOTAMJ-UHFFFAOYSA-N 1 0 434.964 3.975 50 0 IHAARO CCC[NH+](CCC)CCNC(=O)c1nn(-c2ccc(OCC)cc2)c(=O)c2ccccc21 ZINC000002943937 569426900 /nfs/dbraw/zinc/42/69/00/569426900.db2.gz ZNDIMLNLNMWCNR-UHFFFAOYSA-N 1 0 436.556 3.636 50 0 IHAARO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)c1 ZINC000057335791 569431123 /nfs/dbraw/zinc/43/11/23/569431123.db2.gz IKPIKBCGMCIPBH-ZDUSSCGKSA-N 1 0 435.318 3.842 50 0 IHAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCN(C(=O)c4ccc(C)cc4)C3)CC2)cc1 ZINC000031225728 569454992 /nfs/dbraw/zinc/45/49/92/569454992.db2.gz BSRMBHQAFTZDNT-VWLOTQADSA-N 1 0 433.596 3.890 50 0 IHAARO Cc1ccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@H](O)[C@H]34)CC2)c(C)c1 ZINC000059415206 569461256 /nfs/dbraw/zinc/46/12/56/569461256.db2.gz SVKLPRDZURGQKV-VMAPLMQKSA-N 1 0 438.612 3.710 50 0 biogenic IHAARO CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1CCC[NH+](C)C ZINC000008132738 569462217 /nfs/dbraw/zinc/46/22/17/569462217.db2.gz ZCHTUOKCIUXQGL-QZTJIDSGSA-N 1 0 430.618 3.620 50 0 IHAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000008313015 569462538 /nfs/dbraw/zinc/46/25/38/569462538.db2.gz FCYFQDIQPPCDGF-UHFFFAOYSA-N 1 0 429.580 3.983 50 0 IHAARO CC[NH+](CC)CCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccccc2)C1=O ZINC000008917937 569486169 /nfs/dbraw/zinc/48/61/69/569486169.db2.gz ZCMGVGMZTFOTAP-OZXSUGGESA-N 1 0 444.579 3.585 50 0 biogenic IHAARO CCOC(=O)N1CCC([NH2+][C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)CC1 ZINC000008935745 569488034 /nfs/dbraw/zinc/48/80/34/569488034.db2.gz GFDUXAOFRSKSCC-QFIPXVFZSA-N 1 0 425.529 3.894 50 0 IHAARO CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1 ZINC000040160692 569495136 /nfs/dbraw/zinc/49/51/36/569495136.db2.gz GZNFRCKLBVELQI-UPVQGACJSA-N 1 0 430.564 3.526 50 0 IHAARO O=C(NCCC[NH+]1CCCC1)c1csc(NC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000040355524 569499825 /nfs/dbraw/zinc/49/98/25/569499825.db2.gz ZFTDGPGBPZSXHF-UHFFFAOYSA-N 1 0 427.357 3.918 50 0 IHAARO CC[NH+](CC)[C@H](CNC(=O)CCc1nc2ccccc2c(=O)n1C1CC1)c1ccccc1 ZINC000069367318 569502510 /nfs/dbraw/zinc/50/25/10/569502510.db2.gz WQBOUCGCRVLNJV-HSZRJFAPSA-N 1 0 432.568 3.863 50 0 IHAARO CCN(CC)S(=O)(=O)c1ccc(NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)nc1 ZINC000009120190 569503795 /nfs/dbraw/zinc/50/37/95/569503795.db2.gz LLZNMVSXIGGXMF-JOCHJYFZSA-N 1 0 446.617 3.760 50 0 IHAARO COc1ccc([C@H](CNC(=O)c2ccc3c(c2)NC(=O)CS3)[NH+]2CCCCC2)cc1 ZINC000009126057 569504784 /nfs/dbraw/zinc/50/47/84/569504784.db2.gz XNRGUBWPNQDPNR-FQEVSTJZSA-N 1 0 425.554 3.696 50 0 IHAARO C[N@H+](Cc1ccc(Br)cc1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000009155505 569508283 /nfs/dbraw/zinc/50/82/83/569508283.db2.gz CDRDIVWNDQMXOR-UHFFFAOYSA-N 1 0 437.135 3.852 50 0 IHAARO Nc1cc(N)[nH+]c(SCC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)n1 ZINC000009220942 569512624 /nfs/dbraw/zinc/51/26/24/569512624.db2.gz GTSCQBYKKYXTKC-UHFFFAOYSA-N 1 0 446.330 3.927 50 0 IHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000009337489 569523573 /nfs/dbraw/zinc/52/35/73/569523573.db2.gz SMRQPNWKJDKOIK-FQEVSTJZSA-N 1 0 429.948 3.739 50 0 IHAARO CCOC(=O)c1cc2cc(NC(=O)NC[C@H]([C@H]3CCOC3)[NH+]3CCCC3)ccc2s1 ZINC000069951178 569525363 /nfs/dbraw/zinc/52/53/63/569525363.db2.gz WRWOQKVVLPKIGZ-MAUKXSAKSA-N 1 0 431.558 3.700 50 0 IHAARO COc1cc2[nH]c3c(ncn(CC[NH+]4CCC(Cc5ccccc5)CC4)c3=O)c2cc1OC ZINC000009408649 569530656 /nfs/dbraw/zinc/53/06/56/569530656.db2.gz WOCKYSMIPKBIQC-UHFFFAOYSA-N 1 0 446.551 3.850 50 0 IHAARO COc1ccc(-n2cc(C(=O)NCCC[NH+]3CCC(C)CC3)c3ccccc3c2=O)cc1 ZINC000009433722 569534603 /nfs/dbraw/zinc/53/46/03/569534603.db2.gz MISVYVRLIMLXGZ-UHFFFAOYSA-N 1 0 433.552 3.851 50 0 IHAARO COc1ccc(-n2cc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c3ccccc3c2=O)cc1 ZINC000009433786 569534614 /nfs/dbraw/zinc/53/46/14/569534614.db2.gz JRYOZDKQHMTEKB-IBGZPJMESA-N 1 0 433.552 3.994 50 0 IHAARO CCOc1ccccc1C[NH+]1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1 ZINC000000795516 132230394 /nfs/dbraw/zinc/23/03/94/132230394.db2.gz MVMKRCSTSTXQEQ-UHFFFAOYSA-N 1 0 425.548 3.785 50 0 IHAARO CC[NH+](CC)CCCNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCC3 ZINC000002377248 132253252 /nfs/dbraw/zinc/25/32/52/132253252.db2.gz AUAKYKDIHOZETE-UHFFFAOYSA-N 1 0 440.617 3.709 50 0 IHAARO CCc1cc(N2CC[NH+](CC)CC2)nc(SCc2cccc(C(=O)NC(C)C)c2)n1 ZINC000006765146 132278727 /nfs/dbraw/zinc/27/87/27/132278727.db2.gz PXMSNPNLXFURDP-UHFFFAOYSA-N 1 0 427.618 3.611 50 0 IHAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)[C@H]2COc3ccccc3C2)CC1 ZINC000008610338 132288213 /nfs/dbraw/zinc/28/82/13/132288213.db2.gz WGIYBIKCIKDZQN-HXUWFJFHSA-N 1 0 427.976 3.528 50 0 IHAARO CC[N@H+](CCCNC(=O)CCC(=O)N1CCOc2ccc(Cl)cc21)Cc1ccccc1 ZINC000009286902 132312494 /nfs/dbraw/zinc/31/24/94/132312494.db2.gz HOYSJCQWTGBBGE-UHFFFAOYSA-N 1 0 443.975 3.874 50 0 IHAARO CC(=O)N(c1nc(/C=C/C(=O)N2CCN(c3cc[nH+]cc3)CC2)cs1)c1ccccc1 ZINC000009501008 132319542 /nfs/dbraw/zinc/31/95/42/132319542.db2.gz FXRCVPBALNBGNC-BQYQJAHWSA-N 1 0 433.537 3.585 50 0 IHAARO CCOC(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)c2cc(Cl)ccc2OC)c1 ZINC000009908031 132331646 /nfs/dbraw/zinc/33/16/46/132331646.db2.gz JWHUOWLIZYLIMD-UHFFFAOYSA-N 1 0 445.947 3.920 50 0 IHAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000010237637 132335135 /nfs/dbraw/zinc/33/51/35/132335135.db2.gz HSBHFDJYVNLPAK-UHFFFAOYSA-N 1 0 436.339 3.698 50 0 IHAARO O=C(CC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)N1CCN(c2ccccn2)CC1 ZINC000011816384 132340509 /nfs/dbraw/zinc/34/05/09/132340509.db2.gz RUYKFXLACWGTHK-IBGZPJMESA-N 1 0 428.527 3.701 50 0 IHAARO CC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)cc1 ZINC000012741008 519731419 /nfs/dbraw/zinc/73/14/19/519731419.db2.gz QJWWEUQXOIGXJI-UHFFFAOYSA-N 1 0 437.565 3.852 50 0 IHAARO CC[NH+](CC)CCCn1c(=O)c2ccccc2nc1SCC(=O)c1ccc(O)cc1O ZINC000022216501 520638790 /nfs/dbraw/zinc/63/87/90/520638790.db2.gz SFUPNIOUZAHBQP-UHFFFAOYSA-N 1 0 441.553 3.515 50 0 IHAARO CC[NH+](CC)CCNC(=O)[C@H](C)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035562050 520681001 /nfs/dbraw/zinc/68/10/01/520681001.db2.gz XXDFHEAMPGZQGU-MRXNPFEDSA-N 1 0 432.996 3.768 50 0 IHAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)cc1 ZINC000012819461 520749176 /nfs/dbraw/zinc/74/91/76/520749176.db2.gz SZFMEQPKSQVXIG-UHFFFAOYSA-N 1 0 438.959 3.966 50 0 IHAARO CCOc1ccc(-c2cc(C(=O)NCCCN3CC[NH+](C)CC3)c3ccccc3n2)cc1 ZINC000020682312 520804760 /nfs/dbraw/zinc/80/47/60/520804760.db2.gz IWMKQLUWUZAEID-UHFFFAOYSA-N 1 0 432.568 3.668 50 0 IHAARO CC[NH+](CC)[C@H](CNC(=O)CNC(=O)c1ccc2ccccc2c1)c1cccc(OC)c1 ZINC000022700671 520862267 /nfs/dbraw/zinc/86/22/67/520862267.db2.gz CEAPOQSKSINANA-XMMPIXPASA-N 1 0 433.552 3.778 50 0 IHAARO CCCCOc1ccc(C(=O)NCC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000012875945 520866482 /nfs/dbraw/zinc/86/64/82/520866482.db2.gz FVWMYIFEQVVRDQ-OAQYLSRUSA-N 1 0 427.545 3.532 50 0 IHAARO CCCCOc1ccc(C(=O)NCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000012875950 520867376 /nfs/dbraw/zinc/86/73/76/520867376.db2.gz FVWMYIFEQVVRDQ-NRFANRHFSA-N 1 0 427.545 3.532 50 0 IHAARO CCC[C@]1(C2CC[NH+](Cc3c[nH]c4ccccc34)CC2)NC(=O)N(C[C@@H]2CCCO2)C1=O ZINC000012154836 521313987 /nfs/dbraw/zinc/31/39/87/521313987.db2.gz XSWRQTSYYFUEJP-NBGIEHNGSA-N 1 0 438.572 3.650 50 0 IHAARO COc1c2c(cc(C[C@@H]3CC(C[NH2+]CCc4ccc(Cl)cc4)=NO3)c1OC)OCO2 ZINC000012418037 521884975 /nfs/dbraw/zinc/88/49/75/521884975.db2.gz FHDFOOLEZAEVSE-GOSISDBHSA-N 1 0 432.904 3.606 50 0 IHAARO COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000035453146 521895300 /nfs/dbraw/zinc/89/53/00/521895300.db2.gz SHYSRKLXVUJXPZ-UHFFFAOYSA-N 1 0 441.553 3.602 50 0 IHAARO COCCn1c(C)cc(O)c([C@@H](c2ccncc2)[NH+]2CCC(Cc3ccccc3)CC2)c1=O ZINC000022697899 522064460 /nfs/dbraw/zinc/06/44/60/522064460.db2.gz GAUASNBQAGVTGD-AREMUKBSSA-N 1 0 447.579 3.948 50 0 IHAARO CN(CC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)Cc1cccnc1 ZINC000012434872 522420262 /nfs/dbraw/zinc/42/02/62/522420262.db2.gz QOBXFQHGZIZROS-QFIPXVFZSA-N 1 0 429.008 3.580 50 0 IHAARO COCc1ccc(C(=O)N2CCC[C@H]([N@H+](C)CCc3ccc(OC)c(OC)c3)C2)s1 ZINC000015065682 522948946 /nfs/dbraw/zinc/94/89/46/522948946.db2.gz VEZLERFEJLCRJP-SFHVURJKSA-N 1 0 432.586 3.691 50 0 IHAARO CN(C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1cc2ncccn2n1 ZINC000012112328 523043660 /nfs/dbraw/zinc/04/36/60/523043660.db2.gz GVMSCWAJDBRHMV-SFHVURJKSA-N 1 0 445.489 3.775 50 0 IHAARO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012326963 523356236 /nfs/dbraw/zinc/35/62/36/523356236.db2.gz WHTFOQQOUHODFZ-GOSISDBHSA-N 1 0 444.373 3.758 50 0 IHAARO C[NH+]1CCC(N2CCC[C@H](NC(=O)c3cccc4c3C(=O)c3cc(Cl)ccc3-4)C2)CC1 ZINC000012594846 523771233 /nfs/dbraw/zinc/77/12/33/523771233.db2.gz MVVUBVPCFJMPAZ-KRWDZBQOSA-N 1 0 437.971 3.840 50 0 IHAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000012577364 523925910 /nfs/dbraw/zinc/92/59/10/523925910.db2.gz UHWHFOBNPCHQKP-UHFFFAOYSA-N 1 0 432.948 3.768 50 0 IHAARO COc1ccc(CC[NH2+]Cc2cccn2-c2nnc(N3CCC(C)CC3)s2)c(OC)c1 ZINC000020576447 523976206 /nfs/dbraw/zinc/97/62/06/523976206.db2.gz LUSVFFSGPSKUBB-UHFFFAOYSA-N 1 0 441.601 3.915 50 0 IHAARO COc1cccc([C@H](CNC(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)[NH+]2CCCC2)c1 ZINC000012781623 524158170 /nfs/dbraw/zinc/15/81/70/524158170.db2.gz PSVKQBNKSJAMTB-GOTSBHOMSA-N 1 0 441.547 3.542 50 0 IHAARO Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc2)c1 ZINC000012731280 524194135 /nfs/dbraw/zinc/19/41/35/524194135.db2.gz HZEHBWJHAJELGA-UHFFFAOYSA-N 1 0 431.602 3.953 50 0 IHAARO C[C@@H]1CCC[N@H+](CCCNC(=O)C2CCN(c3nc(-c4ccc(Cl)cc4)no3)CC2)C1 ZINC000035447388 524223244 /nfs/dbraw/zinc/22/32/44/524223244.db2.gz ASIMCCSAJBZYAB-QGZVFWFLSA-N 1 0 445.995 3.845 50 0 IHAARO C[C@@H]1CCC[C@@H]([N@H+](CC(=O)Nc2ccc(C(N)=O)cc2)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC000058192821 524301375 /nfs/dbraw/zinc/30/13/75/524301375.db2.gz ZFEVUIHAYNXJLX-CBGDNZLLSA-N 1 0 437.540 3.780 50 0 IHAARO COc1ccccc1CN1C[C@@H]2C[C@@H](c3cccc(-n4cccn4)c3)[N@@H+]3CCC[C@@]23C1=O ZINC000012315977 524456698 /nfs/dbraw/zinc/45/66/98/524456698.db2.gz YKAMDUIZPAERAT-KJOQGJGQSA-N 1 0 428.536 3.819 50 0 IHAARO COc1ccccc1OCC(=O)NC[C@H]1CCC2(CC[NH+](Cc3ccccc3F)CC2)O1 ZINC000011966496 524662356 /nfs/dbraw/zinc/66/23/56/524662356.db2.gz CDBGMTIWSBMVDY-HXUWFJFHSA-N 1 0 442.531 3.543 50 0 IHAARO C[C@H](Cc1ccccn1)NC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000012319930 524743390 /nfs/dbraw/zinc/74/33/90/524743390.db2.gz HVHKWCDLXQIZOV-HXUWFJFHSA-N 1 0 430.552 3.881 50 0 IHAARO COc1ccccc1[C@H](CNC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C(C)C)[NH+]1CCCC1 ZINC000012796113 524791691 /nfs/dbraw/zinc/79/16/91/524791691.db2.gz AUKKKEDYFKMIKM-UPVQGACJSA-N 1 0 437.584 3.711 50 0 IHAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N2CCN(C)C[C@@H]2C(C)C)c1 ZINC000012836148 524926994 /nfs/dbraw/zinc/92/69/94/524926994.db2.gz CRVCZAWXKXUQDJ-XMMPIXPASA-N 1 0 443.632 3.893 50 0 IHAARO Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(C)(C)[NH+]3CCCCC3)c2)cc1 ZINC000012604592 525303947 /nfs/dbraw/zinc/30/39/47/525303947.db2.gz BFEUYJKCJBLKJS-UHFFFAOYSA-N 1 0 429.586 3.790 50 0 IHAARO COc1ccc([C@H](CNC(=O)COc2ccc(Br)cc2)[NH+]2CCCC2)cc1 ZINC000012062765 525357043 /nfs/dbraw/zinc/35/70/43/525357043.db2.gz AAQLMSDNAFQARB-FQEVSTJZSA-N 1 0 433.346 3.790 50 0 IHAARO Cc1c(-c2cc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)c3ccccc3n2)cnn1C ZINC000020608073 525504358 /nfs/dbraw/zinc/50/43/58/525504358.db2.gz YQDJUYLLWLWXDM-UHFFFAOYSA-N 1 0 440.551 3.948 50 0 IHAARO Cc1ccc(-c2ccnc(-n3ncc(C(=O)N4CC[NH+](C5CCCC5)CC4)c3C3CC3)n2)o1 ZINC000012279857 525762103 /nfs/dbraw/zinc/76/21/03/525762103.db2.gz BWIKJWGVHZEUCH-UHFFFAOYSA-N 1 0 446.555 3.809 50 0 IHAARO C[C@@]1(C(=O)NC2CCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1CC[NH+]1CCCC1 ZINC000021863305 525791642 /nfs/dbraw/zinc/79/16/42/525791642.db2.gz WZVMYIYGGJBWOS-VWLOTQADSA-N 1 0 438.572 3.507 50 0 IHAARO C[C@@]1(C(=O)NC2CCCCC2)Cn2c3ccoc3cc2C(=O)N1CCC[NH+]1CCCCC1 ZINC000021810688 525792595 /nfs/dbraw/zinc/79/25/95/525792595.db2.gz OWYAZYMDIKXYMJ-VWLOTQADSA-N 1 0 440.588 3.774 50 0 IHAARO Cc1ccc(C(=O)Nc2ccc(N3CCC([N@H+](C)C[C@H]4COCCO4)CC3)cc2)c(C)c1 ZINC000012152056 526221438 /nfs/dbraw/zinc/22/14/38/526221438.db2.gz QMHKBURSRNTMFX-DEOSSOPVSA-N 1 0 437.584 3.872 50 0 IHAARO O=C(CCC1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1)N1CCN(c2ccccc2)CC1 ZINC000012319903 526407769 /nfs/dbraw/zinc/40/77/69/526407769.db2.gz CKFKZTANLUXCJS-UHFFFAOYSA-N 1 0 449.595 3.799 50 0 IHAARO O=C(CCC1CCN(C(=O)c2cccc(F)c2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012718984 526408784 /nfs/dbraw/zinc/40/87/84/526408784.db2.gz TVCORYFCJYUHEX-XMMPIXPASA-N 1 0 437.559 3.849 50 0 IHAARO O=C(CCOc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000012458437 526532681 /nfs/dbraw/zinc/53/26/81/526532681.db2.gz AZLSEUIICRUVLY-UHFFFAOYSA-N 1 0 448.523 3.857 50 0 IHAARO O=C(c1cc(C2CC2)n[nH]1)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012431176 526602398 /nfs/dbraw/zinc/60/23/98/526602398.db2.gz PQGDVYUJCRLPNF-NRFANRHFSA-N 1 0 440.563 3.960 50 0 IHAARO O=C(N[C@H]1CCCCNC1=O)c1ccc(N2CCC([NH2+]CCC3=CCCCC3)CC2)cc1 ZINC000012243036 527021251 /nfs/dbraw/zinc/02/12/51/527021251.db2.gz RJSIDBDVEUKMLZ-DEOSSOPVSA-N 1 0 438.616 3.534 50 0 IHAARO O=C1C[C@H](N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000020494896 527027823 /nfs/dbraw/zinc/02/78/23/527027823.db2.gz RLPUYXILZFBOJW-MHZGPWMTSA-N 1 0 427.976 3.558 50 0 IHAARO O=c1c2c(ncn1Cc1ccncc1)sc1c2CC[C@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC000020993334 527457369 /nfs/dbraw/zinc/45/73/69/527457369.db2.gz OYCONBBVDUWTDO-INIZCTEOSA-N 1 0 438.503 3.827 50 0 IHAARO FC(F)(F)c1cccc(Cc2noc(CN3CCC([NH+]4CCSCC4)CC3)n2)c1 ZINC000012716994 527685677 /nfs/dbraw/zinc/68/56/77/527685677.db2.gz TXZBBNMKCVICDB-UHFFFAOYSA-N 1 0 426.508 3.692 50 0 IHAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C(=O)OC)cc1 ZINC000002413947 555777136 /nfs/dbraw/zinc/77/71/36/555777136.db2.gz DXIZLNWLGWAYDJ-JOCHJYFZSA-N 1 0 448.519 3.857 50 0 IHAARO CCCC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(C)c(Cl)c3)co2)CC1 ZINC000034677572 555796097 /nfs/dbraw/zinc/79/60/97/555796097.db2.gz IJLMDPMPZVASPW-SFHVURJKSA-N 1 0 434.968 3.557 50 0 IHAARO O=C(Nc1ccc(N2CCC[N@@H+](C[C@@H](O)c3ccccc3)CC2)nc1)c1cccc(F)c1 ZINC000034682251 555815994 /nfs/dbraw/zinc/81/59/94/555815994.db2.gz RHMOPTRGRXMHKL-HSZRJFAPSA-N 1 0 434.515 3.719 50 0 IHAARO O=C(NCC[NH+]1CCCC1)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)Nc2ccccc2F)C1 ZINC000034710350 555824107 /nfs/dbraw/zinc/82/41/07/555824107.db2.gz BUADIPBBDULQLQ-RTWAWAEBSA-N 1 0 438.547 3.675 50 0 IHAARO O=C(NCC[NH+]1CCCC1)c1cnc(-c2ccc3c(c2)OCO3)nc1Nc1ccc(F)cc1 ZINC000034921926 555932372 /nfs/dbraw/zinc/93/23/72/555932372.db2.gz XSVSXBNRNKACAW-UHFFFAOYSA-N 1 0 449.486 3.581 50 0 IHAARO CN(Cc1ccccc1)C(=O)C1CC[NH+](C2CCN(C(=O)Cc3ccccc3)CC2)CC1 ZINC000034912429 555934190 /nfs/dbraw/zinc/93/41/90/555934190.db2.gz SUSOQKZETCACGY-UHFFFAOYSA-N 1 0 433.596 3.591 50 0 IHAARO O=C(NCCc1ccccc1)C1CC[NH+](C2CCN(C(=O)c3cccc(F)c3)CC2)CC1 ZINC000034912281 555934257 /nfs/dbraw/zinc/93/42/57/555934257.db2.gz IVCDLKJIHSTLFL-UHFFFAOYSA-N 1 0 437.559 3.501 50 0 IHAARO CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)NCC[N@@H+]2CCCC[C@H]2C)c1C ZINC000006805003 556104828 /nfs/dbraw/zinc/10/48/28/556104828.db2.gz JQKPODGVDFHOQN-GOSISDBHSA-N 1 0 425.573 3.939 50 0 IHAARO Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)NCC[NH+]1CCCC1 ZINC000013945779 556343035 /nfs/dbraw/zinc/34/30/35/556343035.db2.gz NZUKYKIXPWAZRO-VWLOTQADSA-N 1 0 430.552 3.624 50 0 IHAARO CCn1cc(C[NH+]2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)c(C)n1 ZINC000011662543 556343905 /nfs/dbraw/zinc/34/39/05/556343905.db2.gz ZXUOSMSLIMWWBZ-UHFFFAOYSA-N 1 0 436.560 3.653 50 0 IHAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](C/C(C)=C/c2ccco2)CC1 ZINC000011701842 556347204 /nfs/dbraw/zinc/34/72/04/556347204.db2.gz MRNUHOFNOTZIOG-OBGWFSINSA-N 1 0 428.529 3.611 50 0 IHAARO C[C@H](Cc1cnccn1)NC(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000011841439 556365003 /nfs/dbraw/zinc/36/50/03/556365003.db2.gz QOVVXTRSQHBYTG-OAQYLSRUSA-N 1 0 444.579 3.924 50 0 IHAARO COc1ccc(CCN2C(=O)CC[C@H]2CC[NH2+]Cc2cc3c(cc2Cl)OCO3)cc1 ZINC000011967315 556382139 /nfs/dbraw/zinc/38/21/39/556382139.db2.gz AYDMPYWWRTZDTI-SFHVURJKSA-N 1 0 430.932 3.791 50 0 IHAARO CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)c1 ZINC000014227143 556395158 /nfs/dbraw/zinc/39/51/58/556395158.db2.gz LHAHEHOXIFBHAO-NRFANRHFSA-N 1 0 442.585 3.868 50 0 IHAARO COc1cc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+](C)C)ccc1O ZINC000032622868 556410189 /nfs/dbraw/zinc/41/01/89/556410189.db2.gz UWZPSEVPGBWHBL-FQEVSTJZSA-N 1 0 442.899 3.658 50 0 IHAARO CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](Cc1ccc(F)cc1F)CC2 ZINC000014532501 556421234 /nfs/dbraw/zinc/42/12/34/556421234.db2.gz JAYPEEIOEHLNAV-UHFFFAOYSA-N 1 0 443.494 3.792 50 0 IHAARO CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1c[nH]c3ccccc13)CC2 ZINC000014532458 556421240 /nfs/dbraw/zinc/42/12/40/556421240.db2.gz VWZSCLRMZKFFFM-UHFFFAOYSA-N 1 0 445.567 3.814 50 0 IHAARO CSC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CCCc1cccnc1)C(=O)N2CC(C)C ZINC000014533454 556421924 /nfs/dbraw/zinc/42/19/24/556421924.db2.gz NNRXHWVGHVSASE-LJQANCHMSA-N 1 0 432.634 3.521 50 0 IHAARO COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](Cc1cccs1)CC2 ZINC000014533818 556422226 /nfs/dbraw/zinc/42/22/26/556422226.db2.gz UGXZLMXBGRVXIW-UHFFFAOYSA-N 1 0 427.570 3.584 50 0 IHAARO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc(F)cc3)C[N@H+](CC(C)C)C2)cc1 ZINC000014540004 556425264 /nfs/dbraw/zinc/42/52/64/556425264.db2.gz FALOCGLFDNJLLC-VQTJNVASSA-N 1 0 441.547 3.683 50 0 IHAARO C/C=C(\C)C[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CCc1ccccc1 ZINC000014543797 556426430 /nfs/dbraw/zinc/42/64/30/556426430.db2.gz ULDCOIWOQLPOFH-WSVFEZOKSA-N 1 0 432.568 3.889 50 0 IHAARO C[C@H]([NH2+]CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc2ccccc2c1 ZINC000012995984 556431108 /nfs/dbraw/zinc/43/11/08/556431108.db2.gz HUGGWOZMRPIHLO-IBGZPJMESA-N 1 0 431.536 3.564 50 0 IHAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)C2 ZINC000014732367 556437219 /nfs/dbraw/zinc/43/72/19/556437219.db2.gz WGKDPJVUBGPMQC-INIZCTEOSA-N 1 0 436.478 3.685 50 0 IHAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)N2CCCCC2)C[N@H+](Cc2ccncc2)C1 ZINC000014732589 556437242 /nfs/dbraw/zinc/43/72/42/556437242.db2.gz AYKWDQHXUJFERE-RPWUZVMVSA-N 1 0 446.595 3.660 50 0 IHAARO CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1sccc1C)CC2 ZINC000014745016 556440644 /nfs/dbraw/zinc/44/06/44/556440644.db2.gz XDULAUSXVTVDAX-UHFFFAOYSA-N 1 0 426.586 3.703 50 0 IHAARO CN(C)C(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000014750094 556443216 /nfs/dbraw/zinc/44/32/16/556443216.db2.gz KIEDVWBVHCXDOV-RTWAWAEBSA-N 1 0 444.579 3.822 50 0 IHAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)N2CCCC2)C[N@H+](Cc2ccccc2)C1 ZINC000014750311 556443247 /nfs/dbraw/zinc/44/32/47/556443247.db2.gz FZDPYUKZCXHFAD-RPWUZVMVSA-N 1 0 431.580 3.875 50 0 IHAARO COc1ccc(NC(=O)CCC2CC[NH+](Cc3cnc(SC)nc3)CC2)c(OC)c1 ZINC000014970765 556467060 /nfs/dbraw/zinc/46/70/60/556467060.db2.gz LACXRFQLSQAZBS-UHFFFAOYSA-N 1 0 430.574 3.847 50 0 IHAARO O=c1c(C[NH2+]CCCN2CCOCC2)cc2ccc(F)cc2n1Cc1ccccc1Cl ZINC000014972324 556467415 /nfs/dbraw/zinc/46/74/15/556467415.db2.gz IPIJPIPYYNFEPE-UHFFFAOYSA-N 1 0 443.950 3.654 50 0 IHAARO CO[C@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2cccc3nonc32)CC1)c1ccccc1 ZINC000015073464 556497615 /nfs/dbraw/zinc/49/76/15/556497615.db2.gz UZAWSSGBJXUBMP-QHCPKHFHSA-N 1 0 446.511 3.583 50 0 IHAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C(=O)NCCc3ccccc3)C2)cc1OC ZINC000015078961 556500355 /nfs/dbraw/zinc/50/03/55/556500355.db2.gz UIXYGVNKNYJVGR-JOCHJYFZSA-N 1 0 425.573 3.595 50 0 IHAARO COc1cccc(NC(=O)[C@@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)c2ccccc2)c1 ZINC000032899558 556531002 /nfs/dbraw/zinc/53/10/02/556531002.db2.gz CGDLWDRFCPPEGW-QHCPKHFHSA-N 1 0 433.508 3.862 50 0 IHAARO COc1ccccc1CNc1ncc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(C)n1 ZINC000015778513 556550922 /nfs/dbraw/zinc/55/09/22/556550922.db2.gz HJPFXKPFSOUYHQ-UHFFFAOYSA-N 1 0 445.567 3.800 50 0 IHAARO COc1cccc(N2CCN(C(=O)c3ccc(SCC[NH+]4CCCCC4)nc3)CC2)c1 ZINC000033115218 556554665 /nfs/dbraw/zinc/55/46/65/556554665.db2.gz UILFZQXSICWBJK-UHFFFAOYSA-N 1 0 440.613 3.631 50 0 IHAARO Cc1cccc(-c2c[nH]c([C@@H]3CCC[N@@H+]3CCC(=O)N3CCN(c4ccccn4)CC3)n2)c1 ZINC000072308655 556565540 /nfs/dbraw/zinc/56/55/40/556565540.db2.gz PTRSAVJLTUNFPU-QHCPKHFHSA-N 1 0 444.583 3.656 50 0 IHAARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000015996504 556571750 /nfs/dbraw/zinc/57/17/50/556571750.db2.gz YPCHADOSNDGCAG-NBCVKUGOSA-N 1 0 437.499 3.579 50 0 IHAARO COc1ccccc1CNC(=O)CCC(=O)N(C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000016080247 556582002 /nfs/dbraw/zinc/58/20/02/556582002.db2.gz BNQJNLYXIUKMCW-UHFFFAOYSA-N 1 0 449.595 3.747 50 0 IHAARO O=C(CC1CCN(C(=O)c2ccccc2)CC1)NCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000032974118 556596196 /nfs/dbraw/zinc/59/61/96/556596196.db2.gz MFPNJBYDGSRSLG-UHFFFAOYSA-N 1 0 447.623 4.000 50 0 IHAARO NS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000016449883 556609272 /nfs/dbraw/zinc/60/92/72/556609272.db2.gz LGPNOQFIFAZAEN-UHFFFAOYSA-N 1 0 430.957 3.899 50 0 IHAARO CC[NH+]1CCN(Cc2ccc(NC(=O)CCCNC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000032915636 556613032 /nfs/dbraw/zinc/61/30/32/556613032.db2.gz GGTIOACGRVHCSD-UHFFFAOYSA-N 1 0 442.991 3.626 50 0 IHAARO Cc1ccc(NC(=O)c2nnc(SCC(=O)NCC[N@@H+](C)C3CCCCC3)s2)cc1 ZINC000033011801 556659871 /nfs/dbraw/zinc/65/98/71/556659871.db2.gz YEQVGFHTDGENIK-UHFFFAOYSA-N 1 0 447.630 3.572 50 0 IHAARO Cc1ccc(-c2cc(C(=O)N3CCC[C@@H]([NH+]4CCN(c5ccccc5C)CC4)C3)[nH]n2)o1 ZINC000042926081 556660053 /nfs/dbraw/zinc/66/00/53/556660053.db2.gz WEHXLTOWGCQJRT-HXUWFJFHSA-N 1 0 433.556 3.713 50 0 IHAARO COc1ccc(NC(=O)[C@@H]2C[C@@H](CCSC)[NH2+][C@]23C(=O)Nc2c3cc(C)cc2C)cc1 ZINC000248343203 556681255 /nfs/dbraw/zinc/68/12/55/556681255.db2.gz ZYNUTHFIZQWYSX-YQOVMPOYSA-N 1 0 439.581 3.829 50 0 IHAARO CC(C)Cc1nnc(C(=O)Nc2cccc(C(=O)NCCC[NH+]3CCCCCC3)c2)s1 ZINC000033022917 556688192 /nfs/dbraw/zinc/68/81/92/556688192.db2.gz LGMQCCXEMUUGHA-UHFFFAOYSA-N 1 0 443.617 3.985 50 0 IHAARO Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000046141287 556692523 /nfs/dbraw/zinc/69/25/23/556692523.db2.gz PQRQPSZAKOFSSA-UHFFFAOYSA-N 1 0 432.571 3.538 50 0 IHAARO O=C(CC[C@H]1CCC[N@H+](Cc2cccc3nonc32)C1)N1CCN(Cc2ccccc2)CC1 ZINC000019220799 556715152 /nfs/dbraw/zinc/71/51/52/556715152.db2.gz GVOUYCIGQFWZQD-JOCHJYFZSA-N 1 0 447.583 3.559 50 0 IHAARO COc1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4OC)CC3)C2)c(C)c1 ZINC000055107930 556734852 /nfs/dbraw/zinc/73/48/52/556734852.db2.gz WKYYZXWSHNGVED-HXUWFJFHSA-N 1 0 438.572 3.831 50 0 IHAARO CN(C[C@@H]1CCCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC000058080038 556756642 /nfs/dbraw/zinc/75/66/42/556756642.db2.gz PFLAUIRUKZRSSJ-OALUTQOASA-N 1 0 434.581 3.705 50 0 IHAARO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2NC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000058158809 556763551 /nfs/dbraw/zinc/76/35/51/556763551.db2.gz NAGQDLNGZSWQAK-OALUTQOASA-N 1 0 426.483 3.633 50 0 IHAARO O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCCC1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000058167346 556767107 /nfs/dbraw/zinc/76/71/07/556767107.db2.gz ASJZOEWOQOKTKL-QFBILLFUSA-N 1 0 428.558 3.623 50 0 IHAARO O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCCC1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000058167343 556767121 /nfs/dbraw/zinc/76/71/21/556767121.db2.gz ASJZOEWOQOKTKL-APWZRJJASA-N 1 0 428.558 3.623 50 0 IHAARO Cc1ccc(-n2cnnc2SCC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1C ZINC000058196842 556770858 /nfs/dbraw/zinc/77/08/58/556770858.db2.gz BWUUPWICYFJYOE-IRXDYDNUSA-N 1 0 429.634 3.849 50 0 IHAARO C[C@@H](c1nccs1)N1C(=O)c2cccc(N3CC[NH+](Cc4ccccc4)CC3)c2C1=O ZINC000064053613 556822542 /nfs/dbraw/zinc/82/25/42/556822542.db2.gz UINPDVMPIHIRPC-KRWDZBQOSA-N 1 0 432.549 3.823 50 0 IHAARO Cc1nc(N2CCN(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)cc(N(C)C)[nH+]1 ZINC000067621227 556844635 /nfs/dbraw/zinc/84/46/35/556844635.db2.gz MNLWQQIJDCSAMQ-UHFFFAOYSA-N 1 0 442.873 3.877 50 0 IHAARO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH2+]C4CCN(Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000008917849 556851345 /nfs/dbraw/zinc/85/13/45/556851345.db2.gz NILKEYZRQOIGIQ-HOAOBNHOSA-N 1 0 438.612 3.526 50 0 IHAARO CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)NCCC[NH+]3CCCCCC3)C2)s1 ZINC000033078483 556853406 /nfs/dbraw/zinc/85/34/06/556853406.db2.gz LPMHKKZUHFEAHH-GOSISDBHSA-N 1 0 429.634 3.852 50 0 IHAARO Cc1ccc(C)c(N2CC[NH+](C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@@H]43)CC2)c1 ZINC000070686740 556877695 /nfs/dbraw/zinc/87/76/95/556877695.db2.gz LSGWJALQGUMIRM-STVSDHCOSA-N 1 0 438.612 3.710 50 0 IHAARO C[C@@H]1CCCN(C(=O)COc2ccc(-c3ccc(F)cc3)cc2CN2CC[NH+](C)CC2)C1 ZINC000019741978 556885519 /nfs/dbraw/zinc/88/55/19/556885519.db2.gz UMOVXZKHIQKWOT-HXUWFJFHSA-N 1 0 439.575 3.877 50 0 IHAARO CCC(=O)OC1(c2cccc(C(F)(F)F)c2)CC[NH+](CC[C@@H]2CN(C)C(=O)O2)CC1 ZINC000071769288 556887802 /nfs/dbraw/zinc/88/78/02/556887802.db2.gz UPJBLEYLFQEEMD-QGZVFWFLSA-N 1 0 428.451 3.790 50 0 IHAARO CCOC(=O)C1(c2ccccc2)CC[NH+](CC[C@@H]2CN(Cc3ccccc3)C(=O)O2)CC1 ZINC000071769274 556887855 /nfs/dbraw/zinc/88/78/55/556887855.db2.gz VTIPAAYQGLLXNK-HSZRJFAPSA-N 1 0 436.552 3.994 50 0 IHAARO CCOC(=O)C1(c2ccccc2)CC[NH+](CC[C@H]2CN(Cc3ccccc3)C(=O)O2)CC1 ZINC000071769275 556887884 /nfs/dbraw/zinc/88/78/84/556887884.db2.gz VTIPAAYQGLLXNK-QHCPKHFHSA-N 1 0 436.552 3.994 50 0 IHAARO COc1ccc(CN2CC[NH+](C[C@H](O)Cn3c4ccccc4c4ccccc43)CC2)cc1 ZINC000020066051 556978403 /nfs/dbraw/zinc/97/84/03/556978403.db2.gz WXIZYRMWFYFBOF-QFIPXVFZSA-N 1 0 429.564 3.982 50 0 IHAARO C[N@H+](CCc1cn[nH]c1)Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21 ZINC000020149063 556990708 /nfs/dbraw/zinc/99/07/08/556990708.db2.gz KUZCBORHXDHVSI-UHFFFAOYSA-N 1 0 428.968 3.792 50 0 IHAARO OCC[C@H]1CN(C2CCN(c3ccccc3F)CC2)CC[N@@H+]1CCCc1ccccc1 ZINC000020255050 557003645 /nfs/dbraw/zinc/00/36/45/557003645.db2.gz MBTPYOJVLTYDPO-DEOSSOPVSA-N 1 0 425.592 3.796 50 0 IHAARO C[NH+]1CCN(c2ccc(Br)cc2NS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000072270844 557004588 /nfs/dbraw/zinc/00/45/88/557004588.db2.gz SBFFMAZYXKUTDG-UHFFFAOYSA-N 1 0 444.782 3.655 50 0 IHAARO C[C@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944841 557027767 /nfs/dbraw/zinc/02/77/67/557027767.db2.gz KZGVZGPNIMCSML-MRXNPFEDSA-N 1 0 446.473 3.615 50 0 IHAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2C)CN1Cc1ccccc1Cl ZINC000023153677 557069733 /nfs/dbraw/zinc/06/97/33/557069733.db2.gz XBBJIKJUCAUSFB-UNMCSNQZSA-N 1 0 429.992 3.834 50 0 IHAARO O=C(CC[C@@H]1CCC[N@@H+](C2CSCCSC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000023379885 557088868 /nfs/dbraw/zinc/08/88/68/557088868.db2.gz OZFVJXCLMSUIEZ-QFIPXVFZSA-N 1 0 447.714 3.672 50 0 IHAARO Cc1nc2c(c(=O)n1CC(=O)Nc1cc(F)ccc1Cl)C[N@H+](Cc1ccccc1)CC2 ZINC000049400842 557096362 /nfs/dbraw/zinc/09/63/62/557096362.db2.gz PJEZMLMBKLLMLS-UHFFFAOYSA-N 1 0 440.906 3.541 50 0 IHAARO CCc1nc2c(c(=O)n1CC(=O)N(CC)c1cccc(C)c1)C[N@H+](Cc1ccccc1)CC2 ZINC000049400896 557096589 /nfs/dbraw/zinc/09/65/89/557096589.db2.gz DWMLBDLWZBQJTQ-UHFFFAOYSA-N 1 0 444.579 3.726 50 0 IHAARO COc1ccc([C@H](C(=O)NCC(C)(C)[NH+]2CCCCC2)N2Cc3ccccc3C2=O)cc1 ZINC000033313871 557098650 /nfs/dbraw/zinc/09/86/50/557098650.db2.gz FVUYQVGBPLHQQO-HSZRJFAPSA-N 1 0 435.568 3.773 50 0 IHAARO CCc1ccc(OCCOC[C@@H](O)C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000023224739 557116342 /nfs/dbraw/zinc/11/63/42/557116342.db2.gz FKRNAKKPQOCXAR-QFIPXVFZSA-N 1 0 432.992 3.789 50 0 IHAARO Cc1ccc(C)c(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@H]34)CC2)c1 ZINC000049662094 557117255 /nfs/dbraw/zinc/11/72/55/557117255.db2.gz LSGWJALQGUMIRM-IUHGBDCNSA-N 1 0 438.612 3.710 50 0 biogenic IHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000025061031 557193168 /nfs/dbraw/zinc/19/31/68/557193168.db2.gz JIRUBQBESXOETJ-UHFFFAOYSA-N 1 0 432.568 3.895 50 0 IHAARO CCOc1cc(C[NH2+]C[C@@H](c2ccc(OC)cc2)N2CCOCC2)cc(Cl)c1OC ZINC000025262043 557201645 /nfs/dbraw/zinc/20/16/45/557201645.db2.gz RCGAXOJKNVZWSO-NRFANRHFSA-N 1 0 434.964 3.919 50 0 IHAARO O=C1C[C@@H](N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000100113778 557315008 /nfs/dbraw/zinc/31/50/08/557315008.db2.gz RLPUYXILZFBOJW-WWKNUYBVSA-N 1 0 427.976 3.558 50 0 IHAARO CCOCCC[N@@H+]1CC[C@H](NCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@@H](C)C1 ZINC000221892709 557327171 /nfs/dbraw/zinc/32/71/71/557327171.db2.gz CCMPERODMHCLKH-AVRDEDQJSA-N 1 0 448.007 3.943 50 0 IHAARO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+](CCCO)[C@H]2CCCc3ccccc32)c1 ZINC000072308764 557329429 /nfs/dbraw/zinc/32/94/29/557329429.db2.gz LAHSKUYYSZVPHW-DEOSSOPVSA-N 1 0 437.584 3.869 50 0 IHAARO COc1ccc([C@@H](CNC(=O)CCc2c(C)nc3cc(C)nn3c2C)[NH+]2CCCC2)cc1 ZINC000023487394 557363907 /nfs/dbraw/zinc/36/39/07/557363907.db2.gz KSFVRWGSJMRGCC-HSZRJFAPSA-N 1 0 435.572 3.549 50 0 IHAARO CC[N@@H+]1CCC[C@@H]1CN1CC(=O)C(c2nc(-c3ccc(OC)c(OC)c3)cs2)=C1N ZINC000102722064 557368769 /nfs/dbraw/zinc/36/87/69/557368769.db2.gz YGIADBNFBPDFDB-OAHLLOKOSA-N 1 0 428.558 3.874 50 0 IHAARO C[NH+](C)CCn1ncc(C(=O)NCC(C)(C)c2ccc3c(c2)OCCO3)c1-c1ccccc1 ZINC000225473438 557727066 /nfs/dbraw/zinc/72/70/66/557727066.db2.gz VGBWATQHQAFLQA-UHFFFAOYSA-N 1 0 448.567 3.591 50 0 IHAARO CC[C@H](C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000008345871 562949255 /nfs/dbraw/zinc/94/92/55/562949255.db2.gz ZMRYEQCCMCFPGI-QFIPXVFZSA-N 1 0 429.586 3.534 50 0 IHAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000009139471 562967751 /nfs/dbraw/zinc/96/77/51/562967751.db2.gz CVOIPTMSKKZDPX-LJQANCHMSA-N 1 0 443.613 3.678 50 0 IHAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1 ZINC000009731580 562976243 /nfs/dbraw/zinc/97/62/43/562976243.db2.gz GGKPSXTUPHEENQ-IBGZPJMESA-N 1 0 432.586 3.946 50 0 IHAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(CS(=O)(=O)c2ccccc2OC)o1 ZINC000009731620 562976294 /nfs/dbraw/zinc/97/62/94/562976294.db2.gz KOEADTLCSBQEAB-GOSISDBHSA-N 1 0 448.585 3.647 50 0 IHAARO COCCc1ncc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)cn1 ZINC000011844430 562979647 /nfs/dbraw/zinc/97/96/47/562979647.db2.gz RTQNYYJFCWPHFG-UHFFFAOYSA-N 1 0 437.569 3.640 50 0 IHAARO Cc1cccc(N2CC[N@H+]([C@@H]3CCCC[C@@H]3NS(=O)(=O)c3ccccc3)C[C@H]2C)c1 ZINC000015941243 563019432 /nfs/dbraw/zinc/01/94/32/563019432.db2.gz YVBYTYWPSWCLGU-FGCOXFRFSA-N 1 0 427.614 3.795 50 0 IHAARO O=C(C[NH2+]Cc1ccc(Cl)cc1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000015980766 563020603 /nfs/dbraw/zinc/02/06/03/563020603.db2.gz GNEAYXRRCLIPOF-UHFFFAOYSA-N 1 0 442.368 3.506 50 0 IHAARO CCOC[C@H](O)C[N@@H+](Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983030 568623864 /nfs/dbraw/zinc/62/38/64/568623864.db2.gz YEHOHOVGEQICLD-IFMALSPDSA-N 1 0 432.948 3.741 50 0 IHAARO COc1ccc(CN2CCN(Cc3ccc(C[NH+]4CCCCC4)s3)CCC2=O)cc1 ZINC000299757230 568755502 /nfs/dbraw/zinc/75/55/02/568755502.db2.gz JVHUZTZPABSQLB-UHFFFAOYSA-N 1 0 427.614 3.977 50 0 IHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2ncc(C)c(-c3cccs3)n2)c1C1CC1 ZINC000299785984 568757488 /nfs/dbraw/zinc/75/74/88/568757488.db2.gz PDMDBAMGNFTONE-QGZVFWFLSA-N 1 0 436.585 3.791 50 0 IHAARO COC(=O)CC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000299787165 568757518 /nfs/dbraw/zinc/75/75/18/568757518.db2.gz PDXHOJOYKFSZJI-LADGPHEKSA-N 1 0 439.575 3.792 50 0 IHAARO C[NH+](C)CCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015672896 568803334 /nfs/dbraw/zinc/80/33/34/568803334.db2.gz QTUQQAUWFYRRSI-HSZRJFAPSA-N 1 0 430.618 3.708 50 0 IHAARO CCC[NH+](CCC)Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)o1 ZINC000015731714 568814702 /nfs/dbraw/zinc/81/47/02/568814702.db2.gz ZXHAQKGYMTZSMN-UHFFFAOYSA-N 1 0 447.601 3.634 50 0 IHAARO COc1ccc(C[N@@H+]2CCN(Cc3cccn3-c3cccnc3)C[C@H]2CCO)c(C)c1C ZINC000104544079 568837399 /nfs/dbraw/zinc/83/73/99/568837399.db2.gz HYNNVWQFWFMRDK-XMMPIXPASA-N 1 0 434.584 3.567 50 0 IHAARO Cc1cc(C)c(-n2nnnc2C2(NCCc3c[nH]c4ccccc34)CC[NH+](C)CC2)c(C)c1 ZINC000575443588 568869495 /nfs/dbraw/zinc/86/94/95/568869495.db2.gz DISFMZYVMFTJPQ-UHFFFAOYSA-N 1 0 443.599 3.822 50 0 IHAARO Cc1ccc2c(c1C)NC(=O)[C@]21[C@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000229899123 568887137 /nfs/dbraw/zinc/88/71/37/568887137.db2.gz MILNJVZYCPJSNJ-LOJFUVEFSA-N 1 0 449.938 3.696 50 0 IHAARO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21 ZINC000248378085 568919260 /nfs/dbraw/zinc/91/92/60/568919260.db2.gz IOPQGWWDHDCOJZ-WTGUMLROSA-N 1 0 426.394 3.810 50 0 IHAARO Cc1cc(OCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000006658634 568944368 /nfs/dbraw/zinc/94/43/68/568944368.db2.gz CRWCPYDDVQWEHM-UHFFFAOYSA-N 1 0 426.557 3.784 50 0 IHAARO COc1cccc(C[N@H+]2CC=C(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)c1 ZINC000064818001 568965028 /nfs/dbraw/zinc/96/50/28/568965028.db2.gz PXXGUQRKZXIHDT-UHFFFAOYSA-N 1 0 425.960 3.830 50 0 IHAARO Cc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](CC(C)C)C[C@@H](C)O ZINC000036309219 568995948 /nfs/dbraw/zinc/99/59/48/568995948.db2.gz VEJMHTJVNLMTDS-TZIWHRDSSA-N 1 0 430.614 3.900 50 0 IHAARO Cc1nc(C)c(Cc2ccccc2F)c(N2CC[NH+](C[C@@H](O)Cc3ccccc3)CC2)n1 ZINC000036340369 569078809 /nfs/dbraw/zinc/07/88/09/569078809.db2.gz YVVPAWNERUNHQA-QHCPKHFHSA-N 1 0 434.559 3.549 50 0 IHAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000036341852 569078969 /nfs/dbraw/zinc/07/89/69/569078969.db2.gz YMDVFLFKHKUDBH-QFIPXVFZSA-N 1 0 435.524 3.834 50 0 IHAARO Cc1cccc(CNC(=O)Cn2c(=O)c3c(nc2C(C)C)CC[N@@H+](Cc2ccccc2)C3)c1 ZINC000065153622 569112119 /nfs/dbraw/zinc/11/21/19/569112119.db2.gz ZFNTZHQFFAEFDC-UHFFFAOYSA-N 1 0 444.579 3.550 50 0 IHAARO C[NH+]1CCN(c2ccc(NC(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)cn2)CC1 ZINC000014521892 569159203 /nfs/dbraw/zinc/15/92/03/569159203.db2.gz RMEBEPVBMDCLDU-UHFFFAOYSA-N 1 0 425.920 3.713 50 0 IHAARO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000252505745 569188183 /nfs/dbraw/zinc/18/81/83/569188183.db2.gz MNONSUIXZSLUGE-XLIONFOSSA-N 1 0 440.554 3.643 50 0 IHAARO C[C@](O)(CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(F)cc1F ZINC000252515040 569189101 /nfs/dbraw/zinc/18/91/01/569189101.db2.gz GEEZRRSRBUBAPW-BLIXFSHQSA-N 1 0 442.428 3.599 50 0 IHAARO CCOc1c(Cl)cc(C(=O)N2C[C@H](CC)[N@H+](CC(C)(C)O)C[C@H]2CC)cc1OC ZINC000252585244 569191222 /nfs/dbraw/zinc/19/12/22/569191222.db2.gz HHMJEINRTCKCGO-DLBZAZTESA-N 1 0 426.985 3.833 50 0 IHAARO O=C(NC1CCCCC1)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000581820108 569211756 /nfs/dbraw/zinc/21/17/56/569211756.db2.gz RHBXDKSPQBJZGV-XMMPIXPASA-N 1 0 440.632 3.865 50 0 IHAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccccc1I ZINC000027604423 569274814 /nfs/dbraw/zinc/27/48/14/569274814.db2.gz UGPCAXBQLYXFFO-HNNXBMFYSA-N 1 0 426.323 3.920 50 0 IHAARO Cc1ccc(-n2ncc(C(=O)NCCCC[NH+]3C[C@@H](C)O[C@H](C)C3)c2C(F)(F)F)cc1 ZINC000079050780 569323367 /nfs/dbraw/zinc/32/33/67/569323367.db2.gz BEPVHIQTVICKTK-IAGOWNOFSA-N 1 0 438.494 3.819 50 0 IHAARO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000079053854 569323571 /nfs/dbraw/zinc/32/35/71/569323571.db2.gz VYEMIOVEYPWUKS-SFHVURJKSA-N 1 0 445.501 3.801 50 0 IHAARO CCC[NH+]1CCN(CCCNC(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)CC1 ZINC000020237900 569357461 /nfs/dbraw/zinc/35/74/61/569357461.db2.gz SKIZQDHVWOQYAG-UHFFFAOYSA-N 1 0 443.592 3.588 50 0 IHAARO CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000095459033 569369336 /nfs/dbraw/zinc/36/93/36/569369336.db2.gz ADFWNXRHVJRHFL-NRFANRHFSA-N 1 0 428.964 3.522 50 0 IHAARO C[N@H+](Cc1nc(-c2ccccc2)no1)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000095459844 569369442 /nfs/dbraw/zinc/36/94/42/569369442.db2.gz IEIQMERJROPOQT-UHFFFAOYSA-N 1 0 430.512 3.883 50 0 IHAARO CCOc1cc(C[NH2+]C[C@H]2COC3(CCCCC3)O2)ccc1OCC(=O)N1CCCCC1 ZINC000095463776 569370413 /nfs/dbraw/zinc/37/04/13/569370413.db2.gz WZCTZZHUJXXMMY-NRFANRHFSA-N 1 0 446.588 3.642 50 0 IHAARO COC(=O)C1(NC(=O)c2ccc(Br)cc2C)CC[NH+](Cc2ccccc2)CC1 ZINC000095995437 569378589 /nfs/dbraw/zinc/37/85/89/569378589.db2.gz LKTIYXOSALUUCT-UHFFFAOYSA-N 1 0 445.357 3.695 50 0 IHAARO CCNC(=O)c1cccc(CSc2nc(N3CC[NH+](CC)CC3)cc(C(C)(C)C)n2)c1 ZINC000096280034 569389578 /nfs/dbraw/zinc/38/95/78/569389578.db2.gz XKJBXDPQERDZBM-UHFFFAOYSA-N 1 0 441.645 3.958 50 0 IHAARO COc1ccc(CC(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000097064080 569403030 /nfs/dbraw/zinc/40/30/30/569403030.db2.gz BVZBUVCVVSMDFY-UHFFFAOYSA-N 1 0 429.564 3.876 50 0 IHAARO CC[NH+](CC)[C@H](CNC(=O)c1sc2ncn(C)c(=O)c2c1C)c1ccccc1Cl ZINC000032317001 569461176 /nfs/dbraw/zinc/46/11/76/569461176.db2.gz PTJALCDDFDOLHX-MRXNPFEDSA-N 1 0 432.977 3.770 50 0 IHAARO C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008726297 569472273 /nfs/dbraw/zinc/47/22/73/569472273.db2.gz JXXCWRCDPROSNO-ZJSXRUAMSA-N 1 0 449.595 3.718 50 0 IHAARO CC[NH+](CC)CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000039484456 569481668 /nfs/dbraw/zinc/48/16/68/569481668.db2.gz NUDAMDJQFYVFHF-UHFFFAOYSA-N 1 0 444.384 3.866 50 0 IHAARO CCOC(=O)N1CCC([NH2+][C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)CC1 ZINC000008935751 569488021 /nfs/dbraw/zinc/48/80/21/569488021.db2.gz GFDUXAOFRSKSCC-JOCHJYFZSA-N 1 0 425.529 3.894 50 0 IHAARO O=C(Nc1cc(Cl)ccc1N1CCOCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000040103445 569488063 /nfs/dbraw/zinc/48/80/63/569488063.db2.gz WXVPCOUEHOMYGW-UHFFFAOYSA-N 1 0 428.964 3.963 50 0 IHAARO CN(C(=O)c1csc(NC(=O)c2ccc(Cl)c(Cl)c2)n1)C1CC[NH+](C)CC1 ZINC000040355482 569499810 /nfs/dbraw/zinc/49/98/10/569499810.db2.gz XTWJSASSAKVEFL-UHFFFAOYSA-N 1 0 427.357 3.868 50 0 IHAARO COc1ccc([S@@](=O)Cc2ccc(C(=O)NCCC[N@H+](C)Cc3ccccc3)o2)cc1 ZINC000009115722 569502823 /nfs/dbraw/zinc/50/28/23/569502823.db2.gz UBSNSRPLHKLXHR-WJOKGBTCSA-N 1 0 440.565 3.848 50 0 IHAARO COc1cccc(C[N@H+](C[C@@H](O)COC(C)C)C[C@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000245325969 569503612 /nfs/dbraw/zinc/50/36/12/569503612.db2.gz CGQFKFQAFUSAAF-FYYLOGMGSA-N 1 0 430.520 3.615 50 0 IHAARO COc1cccc(C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000245326638 569503698 /nfs/dbraw/zinc/50/36/98/569503698.db2.gz GQIYZWJBAHIZBS-ISKFKSNPSA-N 1 0 444.547 3.863 50 0 IHAARO COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)NC(=O)CS3)[NH+]2CCCCC2)cc1 ZINC000009126056 569504798 /nfs/dbraw/zinc/50/47/98/569504798.db2.gz XNRGUBWPNQDPNR-HXUWFJFHSA-N 1 0 425.554 3.696 50 0 IHAARO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](CC(C)C)[NH2+][C@]23C(=O)Nc2c3cccc2C)c1 ZINC000009129854 569505869 /nfs/dbraw/zinc/50/58/69/569505869.db2.gz JRZFJSSWPYTXPC-WEVXLUSXSA-N 1 0 437.540 3.823 50 0 IHAARO CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)C2CC2)CC1 ZINC000009265161 569517312 /nfs/dbraw/zinc/51/73/12/569517312.db2.gz WXLCRRXJNOBLBW-UHFFFAOYSA-N 1 0 427.545 3.744 50 0 IHAARO CCCOc1ccc([C@@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CC[NH+](C)C)cc1 ZINC000009328360 569522905 /nfs/dbraw/zinc/52/29/05/569522905.db2.gz ZYTXREJSXFJXLQ-JOCHJYFZSA-N 1 0 436.508 3.697 50 0 IHAARO C[C@H](NC(=O)C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)c1ccc2c(c1)CCCC2 ZINC000009501931 569541675 /nfs/dbraw/zinc/54/16/75/569541675.db2.gz IHKODRLMZOQQQS-FQEVSTJZSA-N 1 0 425.617 3.857 50 0 IHAARO CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCC[N@H+](C(C)C)C1CCCCC1 ZINC000009528474 569544688 /nfs/dbraw/zinc/54/46/88/569544688.db2.gz GRNHZENDVFZMHJ-HXUWFJFHSA-N 1 0 443.679 3.600 50 0 IHAARO COCCn1c(-c2ccc3c(c2)OCO3)c[nH+]c1NCc1cc(OC)c(OC)c(OC)c1 ZINC000009601560 569551632 /nfs/dbraw/zinc/55/16/32/569551632.db2.gz RCYDVASJAPGWMR-UHFFFAOYSA-N 1 0 441.484 3.563 50 0 IHAARO Cc1cccc(C[NH+]2CCC(CNC(=O)c3cc4c(c5ccccc5[nH]c4=O)n3C)CC2)c1 ZINC000009693043 569561103 /nfs/dbraw/zinc/56/11/03/569561103.db2.gz ZNHWMODFVYRGHR-UHFFFAOYSA-N 1 0 442.563 3.970 50 0 IHAARO Cc1cc2n(n1)CCCN2Cc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000009724669 569563719 /nfs/dbraw/zinc/56/37/19/569563719.db2.gz MTZNECBVKAQGAM-UHFFFAOYSA-N 1 0 443.595 3.996 50 0 IHAARO Cc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1NC(=O)C1=CSCCO1 ZINC000009739527 569565031 /nfs/dbraw/zinc/56/50/31/569565031.db2.gz KBHDJWUHVURWSJ-UHFFFAOYSA-N 1 0 429.586 3.629 50 0 IHAARO CC[NH+](CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@@H]1c1ccc(OC)cc1 ZINC000010233213 569579562 /nfs/dbraw/zinc/57/95/62/569579562.db2.gz YRJJNARATNYEGQ-QFIPXVFZSA-N 1 0 436.508 3.697 50 0 IHAARO O=C(NC[C@H](c1cccc2ccccc21)[NH+]1CCCC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000010333969 569580996 /nfs/dbraw/zinc/58/09/96/569580996.db2.gz DXADYWSKXNZYRH-JOCHJYFZSA-N 1 0 445.519 3.503 50 0 IHAARO Cc1sc2ncnc(N3CCC(C(=O)NCCC[NH+]4CCC(C)CC4)CC3)c2c1C ZINC000010300152 132245615 /nfs/dbraw/zinc/24/56/15/132245615.db2.gz PXOSFVROJQOLDN-UHFFFAOYSA-N 1 0 429.634 3.763 50 0 IHAARO CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CC[NH+]1CCN(c2ccccc2F)CC1 ZINC000009076566 132302133 /nfs/dbraw/zinc/30/21/33/132302133.db2.gz GFJOAAJWXVXGQG-UHFFFAOYSA-N 1 0 438.503 3.635 50 0 IHAARO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000012441479 519670483 /nfs/dbraw/zinc/67/04/83/519670483.db2.gz WEGHHFAQFURQOA-IBGZPJMESA-N 1 0 432.524 3.616 50 0 IHAARO CCC[NH+]1CCN([C@@H]2CCc3c(sc4ncn(CC5CCCCC5)c(=O)c34)C2)CC1 ZINC000020600152 519859418 /nfs/dbraw/zinc/85/94/18/519859418.db2.gz XBRDURMXJAAYHJ-LJQANCHMSA-N 1 0 428.646 3.923 50 0 IHAARO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000012737677 520834738 /nfs/dbraw/zinc/83/47/38/520834738.db2.gz WEZVASVLRIONIU-UZLBHIALSA-N 1 0 446.389 3.767 50 0 IHAARO CCOC(=O)[C@]1(Cc2ccccc2C)CCC[N@H+](Cc2cn(CC(N)=O)c3ccccc23)C1 ZINC000012434922 521358546 /nfs/dbraw/zinc/35/85/46/521358546.db2.gz XOKRJONMQDTYQF-MHZLTWQESA-N 1 0 447.579 3.823 50 0 IHAARO CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CCN1CC[NH+](CC)CC1 ZINC000022784873 521373159 /nfs/dbraw/zinc/37/31/59/521373159.db2.gz CCOVPSCNRUOOJV-UHFFFAOYSA-N 1 0 433.549 3.697 50 0 IHAARO CN(C)S(=O)(=O)Nc1ccc(N2CCC([NH2+]Cc3cc4ccccc4s3)CC2)cc1 ZINC000014975494 521966218 /nfs/dbraw/zinc/96/62/18/521966218.db2.gz DWGQRCOLDLBBPZ-UHFFFAOYSA-N 1 0 444.626 3.878 50 0 IHAARO COc1cc(Br)c(CC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1OC ZINC000012911224 522021549 /nfs/dbraw/zinc/02/15/49/522021549.db2.gz GUFYBAPOYPYJKV-MRXNPFEDSA-N 1 0 437.334 3.555 50 0 IHAARO COc1cc(CN(C)Cc2cc(C)no2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012710446 522348750 /nfs/dbraw/zinc/34/87/50/522348750.db2.gz CAVYOSBUPGKWCT-NRFANRHFSA-N 1 0 431.577 3.628 50 0 IHAARO C[N@H+](CCNC(=O)C1CCN(c2ccc(-c3cccs3)nn2)CC1)C1CCCCC1 ZINC000021538894 522842108 /nfs/dbraw/zinc/84/21/08/522842108.db2.gz FWRVTJWOBKDYCS-UHFFFAOYSA-N 1 0 427.618 3.802 50 0 IHAARO CC[C@H]1Oc2ccccc2N(CC(=O)NCCC[NH+]2CCC(Cc3ccccc3)CC2)C1=O ZINC000020687256 523422366 /nfs/dbraw/zinc/42/23/66/523422366.db2.gz LFACPZYLUSLMHQ-XMMPIXPASA-N 1 0 449.595 3.652 50 0 IHAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)c1cccc(N(C)C)c1 ZINC000012320377 523688267 /nfs/dbraw/zinc/68/82/67/523688267.db2.gz HDDNMMIUNBPJTM-UHFFFAOYSA-N 1 0 427.564 3.893 50 0 IHAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)c3ccccc3OCc3ccc(F)cc3)cn2)CC1 ZINC000058184277 523812281 /nfs/dbraw/zinc/81/22/81/523812281.db2.gz GSJXOCMTRLABNJ-UHFFFAOYSA-N 1 0 448.542 3.872 50 0 IHAARO C[NH+](C)CCCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2ccc(F)cc2s1 ZINC000012140930 524053254 /nfs/dbraw/zinc/05/32/54/524053254.db2.gz OWVXDKMTJCGJSG-UHFFFAOYSA-N 1 0 449.573 3.584 50 0 IHAARO C[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)C1 ZINC000021535159 524087610 /nfs/dbraw/zinc/08/76/10/524087610.db2.gz BMHJIWXAONWVEW-LBPRGKRZSA-N 1 0 437.509 3.822 50 0 IHAARO COc1cccc([C@@H](CNC(=O)CCc2nc(-c3ccc(C)cc3)no2)[NH+]2CCCC2)c1 ZINC000012911995 524095261 /nfs/dbraw/zinc/09/52/61/524095261.db2.gz RHGJHZJSIFVCMF-JOCHJYFZSA-N 1 0 434.540 3.940 50 0 IHAARO Cc1cccc(-n2nc3nc(N4CC[NH+](C)CC4)nc(-c4ccc(Cl)cc4)c3c2N)c1 ZINC000035925725 524146980 /nfs/dbraw/zinc/14/69/80/524146980.db2.gz FYEZOYGQXCKJSZ-UHFFFAOYSA-N 1 0 433.947 3.778 50 0 IHAARO Cc1cc(C)c(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccc4c(c3)OCO4)C2)c(-n2cccn2)c1 ZINC000012459722 524259829 /nfs/dbraw/zinc/25/98/29/524259829.db2.gz LFLTWMDKJNMFTP-FQEVSTJZSA-N 1 0 446.551 3.860 50 0 IHAARO COc1ccccc1-c1cc(C(F)(F)F)n2ncc(C(=O)OC[C@H]3CCC[N@H+](C)C3)c2n1 ZINC000021788916 524267918 /nfs/dbraw/zinc/26/79/18/524267918.db2.gz CLRRAWGPZSKLJD-AWEZNQCLSA-N 1 0 448.445 3.922 50 0 IHAARO COc1ccccc1CN1C[C@@H]2C[C@@H](C3=Cc4cccc(OC)c4OC3)[N@@H+]3CCC[C@@]23C1=O ZINC000012454796 524455095 /nfs/dbraw/zinc/45/50/95/524455095.db2.gz PRTPZLDUTFMCEK-BERHBOFZSA-N 1 0 446.547 3.745 50 0 IHAARO Cc1cc(C)n(CC(=O)N(C)C[C@@H]2CCC[N@H+](CCc3cccc(C(F)(F)F)c3)C2)n1 ZINC000012707161 524502600 /nfs/dbraw/zinc/50/26/00/524502600.db2.gz PQHRGKHCFWREPF-FQEVSTJZSA-N 1 0 436.522 3.932 50 0 IHAARO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](C3CCN(Cc4ccccc4)CC3)C2)CC1 ZINC000020783519 524559029 /nfs/dbraw/zinc/55/90/29/524559029.db2.gz OMLGGWJNXAOUHY-AREMUKBSSA-N 1 0 448.655 3.946 50 0 IHAARO Cc1ccccc1-c1noc(N2CCC(C(=O)N3CC[NH+](C4CCCCC4)CC3)CC2)n1 ZINC000035374880 525019854 /nfs/dbraw/zinc/01/98/54/525019854.db2.gz WPOJVQREKZOTFQ-UHFFFAOYSA-N 1 0 437.588 3.738 50 0 IHAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC000012551817 525078169 /nfs/dbraw/zinc/07/81/69/525078169.db2.gz WZRNWCOYTUVEBU-UHFFFAOYSA-N 1 0 440.551 3.792 50 0 IHAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)cc2ccccc21 ZINC000035561572 525208511 /nfs/dbraw/zinc/20/85/11/525208511.db2.gz JACUXLDYGQUPBO-UHFFFAOYSA-N 1 0 444.623 3.984 50 0 IHAARO Cc1ccnc(N2CCC[C@@H](C(=O)NCC3CC[NH+](Cc4ccc(Cl)cc4)CC3)C2)n1 ZINC000035454318 525666464 /nfs/dbraw/zinc/66/64/64/525666464.db2.gz DSDXGIIUDHCWPP-OAQYLSRUSA-N 1 0 442.007 3.683 50 0 IHAARO Cc1c(C[NH2+][C@H]2CCc3c(sc4ncn(CC5CCCCC5)c(=O)c34)C2)cnn1C ZINC000014993110 525730978 /nfs/dbraw/zinc/73/09/78/525730978.db2.gz WSYKDKUPBFVMDW-SFHVURJKSA-N 1 0 425.602 3.727 50 0 IHAARO Cc1ccc(C(=O)Nc2ccc(N3CCC([N@@H+]4CCCN(C=O)CC4)CC3)cc2)c(C)c1 ZINC000012454119 526222144 /nfs/dbraw/zinc/22/21/44/526222144.db2.gz JBFNCBGTSZKNQE-UHFFFAOYSA-N 1 0 434.584 3.689 50 0 IHAARO Cc1nn(Cc2ccccc2)c2sc(C(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)cc12 ZINC000022764155 526296082 /nfs/dbraw/zinc/29/60/82/526296082.db2.gz CTFPIFIOLNGROH-LJQANCHMSA-N 1 0 426.586 3.541 50 0 IHAARO Cc1nn([C@@H](C)C(=O)N2CC[NH+](C3CCCCC3)CC2)c(=O)c2c3ccccc3sc21 ZINC000020466892 526301390 /nfs/dbraw/zinc/30/13/90/526301390.db2.gz LKTSHSJTDTVZHC-KRWDZBQOSA-N 1 0 438.597 3.958 50 0 IHAARO O=C(CC1=CCCCC1)N1CCC([NH+]2CCC(C(=O)NCCc3ccccc3)CC2)CC1 ZINC000012441528 526337679 /nfs/dbraw/zinc/33/76/79/526337679.db2.gz VVCCUQRVPKZXGH-UHFFFAOYSA-N 1 0 437.628 3.939 50 0 IHAARO O=C(CCNC(=O)c1ccc(Br)cc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000015477100 526504034 /nfs/dbraw/zinc/50/40/34/526504034.db2.gz HIMVXJIJTHFASP-GOSISDBHSA-N 1 0 448.361 3.505 50 0 IHAARO O=C(c1cc(COc2cccc(C(F)(F)F)c2)on1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000020774603 526605125 /nfs/dbraw/zinc/60/51/25/526605125.db2.gz PBNSSODKOKSNDL-UHFFFAOYSA-N 1 0 432.402 3.630 50 0 IHAARO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cn(Cc2ccccc2C(F)(F)F)nn1 ZINC000012593025 526614342 /nfs/dbraw/zinc/61/43/42/526614342.db2.gz OKKUHKXBJHYJAX-GOSISDBHSA-N 1 0 443.473 3.597 50 0 IHAARO O=C(CCc1cccnc1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012308105 526618178 /nfs/dbraw/zinc/61/81/78/526618178.db2.gz CCHGTDPAUBIOMX-MHZLTWQESA-N 1 0 447.623 3.901 50 0 IHAARO Cc1nc(C(=O)N(C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)cs1 ZINC000012593912 526636327 /nfs/dbraw/zinc/63/63/27/526636327.db2.gz RLCXMBLCAJYKFP-HSZRJFAPSA-N 1 0 439.625 3.952 50 0 IHAARO O=C(CN1CC[NH+](Cc2cccc3ccccc32)CC1)Nc1ccc2c(c1)OCCCO2 ZINC000022792616 526775315 /nfs/dbraw/zinc/77/53/15/526775315.db2.gz LIEKWPUPJRRIOD-UHFFFAOYSA-N 1 0 431.536 3.757 50 0 IHAARO O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000022780955 526777061 /nfs/dbraw/zinc/77/70/61/526777061.db2.gz WACJPTRWPKDJAP-UHFFFAOYSA-N 1 0 449.624 3.648 50 0 IHAARO O=C(N[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1)C1CC[NH+](Cc2ccco2)CC1 ZINC000020454008 526893571 /nfs/dbraw/zinc/89/35/71/526893571.db2.gz TUPXFJUXCYOUPX-GOSISDBHSA-N 1 0 436.478 3.691 50 0 IHAARO O=C1NC2(CCCCCC2)C(=O)N1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022803330 527059575 /nfs/dbraw/zinc/05/95/75/527059575.db2.gz RKMYAZLGYVAHFI-UHFFFAOYSA-N 1 0 446.595 3.996 50 0 IHAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NC2CC2)C[N@@H+](CCc2ccccc2)C1 ZINC000014748340 527273246 /nfs/dbraw/zinc/27/32/46/527273246.db2.gz BDSJZQYWAXPJHS-XZOQPEGZSA-N 1 0 431.580 3.573 50 0 IHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000035447436 527531864 /nfs/dbraw/zinc/53/18/64/527531864.db2.gz SFLWZLHMZLBPHZ-NRFANRHFSA-N 1 0 439.987 3.973 50 0 IHAARO O=C(NCCC[NH+]1CCCCC1)C1CCN(Cc2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000041273684 527663981 /nfs/dbraw/zinc/66/39/81/527663981.db2.gz VERBZCLCUOJEPD-UHFFFAOYSA-N 1 0 445.995 3.594 50 0 IHAARO O=C(NCC[NH+]1CCCC1)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)Nc2ccccc2F)C1 ZINC000034710353 555824125 /nfs/dbraw/zinc/82/41/25/555824125.db2.gz BUADIPBBDULQLQ-LEWJYISDSA-N 1 0 438.547 3.675 50 0 IHAARO CN(Cc1ccccc1)C(=O)C1CC[NH+](C2CCN(C(=O)c3cccc(F)c3)CC2)CC1 ZINC000034912451 555934561 /nfs/dbraw/zinc/93/45/61/555934561.db2.gz KUNCBUZUNBBHQB-UHFFFAOYSA-N 1 0 437.559 3.801 50 0 IHAARO O=C(COc1ccc(Cl)cc1)N1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000004745933 556009549 /nfs/dbraw/zinc/00/95/49/556009549.db2.gz YXAKPGBPMDVLEF-UHFFFAOYSA-N 1 0 427.976 3.528 50 0 IHAARO C[NH+](C)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1cccc(F)c1 ZINC000009253244 556267299 /nfs/dbraw/zinc/26/72/99/556267299.db2.gz VZLYCVPJJMRVDG-SFHVURJKSA-N 1 0 445.288 3.801 50 0 IHAARO CCc1ccc([C@H](CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)[NH+](C)C)cc1 ZINC000032734044 556305651 /nfs/dbraw/zinc/30/56/51/556305651.db2.gz GJAROOXLKXSQPM-GGAORHGYSA-N 1 0 425.548 3.659 50 0 IHAARO O=C(Nc1ccnn1C1CC[NH+](Cc2ccccc2OC(F)F)CC1)c1cccnc1 ZINC000011661080 556342684 /nfs/dbraw/zinc/34/26/84/556342684.db2.gz GQFOIXBJDUFEFW-UHFFFAOYSA-N 1 0 427.455 3.969 50 0 IHAARO CC(=O)c1cccc(OCc2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)no2)c1 ZINC000011662453 556344055 /nfs/dbraw/zinc/34/40/55/556344055.db2.gz AOMTWWHFNXCLBZ-UHFFFAOYSA-N 1 0 433.508 3.851 50 0 IHAARO C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000032781167 556347304 /nfs/dbraw/zinc/34/73/04/556347304.db2.gz VRCGAKBRPDJZSQ-KRWDZBQOSA-N 1 0 429.948 3.736 50 0 IHAARO COCC[N@@H+](Cc1cccn1Cc1cccc(F)c1)C[C@H](O)COCc1ccccc1 ZINC000004490299 556352509 /nfs/dbraw/zinc/35/25/09/556352509.db2.gz YOMFIGHPLQUMFS-VWLOTQADSA-N 1 0 426.532 3.702 50 0 IHAARO CCOC(=O)c1c(C)[nH]c(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)c1C ZINC000011844038 556367160 /nfs/dbraw/zinc/36/71/60/556367160.db2.gz LDCHYRCWXAJAKN-FQEVSTJZSA-N 1 0 443.563 3.974 50 0 IHAARO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000014118608 556371506 /nfs/dbraw/zinc/37/15/06/556371506.db2.gz LIJXFYIGMRQBPY-CHWSQXEVSA-N 1 0 444.384 3.922 50 0 IHAARO COCCN(Cc1cnc(N(C)C)s1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011879292 556371729 /nfs/dbraw/zinc/37/17/29/556371729.db2.gz LNPXDUNWPGZTPK-IBGZPJMESA-N 1 0 428.646 3.537 50 0 IHAARO O=C([C@@H]1CC12CC[NH+](Cc1ccc3nsnc3c1)CC2)N1CCN(c2ccccc2)CC1 ZINC000012080222 556398622 /nfs/dbraw/zinc/39/86/22/556398622.db2.gz LXBBQKNQNFLVBX-NRFANRHFSA-N 1 0 447.608 3.642 50 0 IHAARO CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000032674827 556415581 /nfs/dbraw/zinc/41/55/81/556415581.db2.gz DWTGYUIJOCFICN-GEBQCUDNSA-N 1 0 437.628 3.734 50 0 IHAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4nnc(-c5ccccc5)o4)cc3)cn2)CC1 ZINC000014521901 556419788 /nfs/dbraw/zinc/41/97/88/556419788.db2.gz HTPQESZZYPJCKU-UHFFFAOYSA-N 1 0 440.507 3.803 50 0 IHAARO COc1ccc(CC[NH2+][C@H]2CCc3c(c(C(=O)N(C)C)nn3CC3CCCCC3)C2)cc1 ZINC000014532330 556421011 /nfs/dbraw/zinc/42/10/11/556421011.db2.gz ARPXDQZVBUQBNJ-NRFANRHFSA-N 1 0 438.616 3.863 50 0 IHAARO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NC2CCCC2)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000014537624 556424004 /nfs/dbraw/zinc/42/40/04/556424004.db2.gz UVDWFCMBBPSHBQ-RBUKOAKNSA-N 1 0 439.531 3.667 50 0 IHAARO COc1cccc(CN2C(=O)N(CCC(C)C)C3(CC[NH+]([C@H]4CCSC4)CC3)C2=O)c1 ZINC000014745219 556440624 /nfs/dbraw/zinc/44/06/24/556440624.db2.gz AFROJSOLZPWBGH-FQEVSTJZSA-N 1 0 445.629 3.846 50 0 IHAARO CSC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1 ZINC000014749042 556442622 /nfs/dbraw/zinc/44/26/22/556442622.db2.gz RSBYVUJTLMYZFH-LJQANCHMSA-N 1 0 438.597 3.632 50 0 IHAARO NC(=O)c1c(NC(=O)CC[NH+]2CCN(c3cccc(Cl)c3)CC2)sc2c1CCCC2 ZINC000028843872 556462361 /nfs/dbraw/zinc/46/23/61/556462361.db2.gz JUXWRIJKAKVFMB-UHFFFAOYSA-N 1 0 447.004 3.530 50 0 IHAARO Cc1c(C(=O)N2CCC([NH+]3CCCCC3)CC2)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000014971626 556467224 /nfs/dbraw/zinc/46/72/24/556467224.db2.gz NVDMVKPXQZKXKH-UHFFFAOYSA-N 1 0 448.546 3.867 50 0 IHAARO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cnn1-c1nccc(-c2cccs2)n1 ZINC000014977092 556469127 /nfs/dbraw/zinc/46/91/27/556469127.db2.gz UUBNASKIWWPXTR-FXAWDEMLSA-N 1 0 436.585 3.694 50 0 IHAARO Cc1c(C(=O)NCc2ccc(C(F)(F)F)cc2)sc2ncnc(NCC[NH+](C)C)c12 ZINC000014978501 556469959 /nfs/dbraw/zinc/46/99/59/556469959.db2.gz JAMBFGXRQRNEKN-UHFFFAOYSA-N 1 0 437.491 3.922 50 0 IHAARO COc1cc(C[NH+]2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)cc2c1OCO2 ZINC000014980870 556470534 /nfs/dbraw/zinc/47/05/34/556470534.db2.gz ULJKLZPMYAUWQH-UHFFFAOYSA-N 1 0 428.504 3.872 50 0 IHAARO COc1cc2cc(C[NH2+]Cc3cnn(C)c3C)c(=O)n(CC3CCCCC3)c2cc1OC ZINC000014984195 556471900 /nfs/dbraw/zinc/47/19/00/556471900.db2.gz HNGBNSZBQXTYMH-UHFFFAOYSA-N 1 0 438.572 3.931 50 0 IHAARO CC[NH+]1CCN(c2ccc(NC(=O)C3=NN(c4cc(C)ccc4C)C(=O)CC3)c(C)c2)CC1 ZINC000029374269 556473701 /nfs/dbraw/zinc/47/37/01/556473701.db2.gz ONOAAWGHPFFRDK-UHFFFAOYSA-N 1 0 447.583 3.875 50 0 IHAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1ccc(-c3ccccc3)cc1)CC2)c1ccoc1 ZINC000014990397 556474811 /nfs/dbraw/zinc/47/48/11/556474811.db2.gz SWJQUTSWIUWJQW-UHFFFAOYSA-N 1 0 441.535 3.569 50 0 IHAARO C[N@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@H]1CCc2ccccc21 ZINC000029488121 556476322 /nfs/dbraw/zinc/47/63/22/556476322.db2.gz YMAVGZSPXDAMKI-QHCPKHFHSA-N 1 0 441.597 3.809 50 0 IHAARO CC[C@H](C)C(=O)NCc1nnc2n1CC[N@@H+](Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000015068686 556494184 /nfs/dbraw/zinc/49/41/84/556494184.db2.gz IYBXHSHJBCAGFL-IBGZPJMESA-N 1 0 433.556 3.791 50 0 IHAARO CCc1nc(C)c(C[N@@H+]2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)[nH]1 ZINC000015076461 556499223 /nfs/dbraw/zinc/49/92/23/556499223.db2.gz GOYZXDDOWMFECU-SFHVURJKSA-N 1 0 428.577 3.606 50 0 IHAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@@](CCOc3ccccc3)(C(=O)OCC)C2)CC1 ZINC000015075624 556499234 /nfs/dbraw/zinc/49/92/34/556499234.db2.gz KUJFSNRAMUNKSR-DEOSSOPVSA-N 1 0 432.561 3.722 50 0 IHAARO CCc1ccc(C[NH+]2CCC(Oc3cc(OC)ccc3C(=O)NCCOC)CC2)cc1 ZINC000015078503 556500233 /nfs/dbraw/zinc/50/02/33/556500233.db2.gz YZQKWLMXRCYHBX-UHFFFAOYSA-N 1 0 426.557 3.677 50 0 IHAARO Cc1cc(O[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2c(C)cc(=O)oc2c1 ZINC000013555474 556516155 /nfs/dbraw/zinc/51/61/55/556516155.db2.gz FLTGTKMCAXLARS-LJQANCHMSA-N 1 0 434.536 3.958 50 0 IHAARO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](CC(C)C)[NH2+][C@]23C(=O)Nc2ccc(C)cc23)c1 ZINC000013576572 556526263 /nfs/dbraw/zinc/52/62/63/556526263.db2.gz WDWOQONWARHYBM-WEVXLUSXSA-N 1 0 437.540 3.823 50 0 IHAARO COc1ccc(OC)c([C@H]2CCCN2CC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1 ZINC000015518422 556532903 /nfs/dbraw/zinc/53/29/03/556532903.db2.gz HUFHEAFSAFLGMA-LJQANCHMSA-N 1 0 441.919 3.714 50 0 IHAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)cn2)CC1 ZINC000032905476 556548858 /nfs/dbraw/zinc/54/88/58/556548858.db2.gz QSDJUKBTUFGZTG-UHFFFAOYSA-N 1 0 434.927 3.970 50 0 IHAARO CC[NH+](CC)[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)C1 ZINC000072305245 556553375 /nfs/dbraw/zinc/55/33/75/556553375.db2.gz OKHZJUBWCHQKPM-GHTZIAJQSA-N 1 0 438.572 3.691 50 0 IHAARO C[NH+]1CCC(O)(CNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)CC1 ZINC000072310395 556576140 /nfs/dbraw/zinc/57/61/40/556576140.db2.gz YDDDKZPPGMYOHI-UHFFFAOYSA-N 1 0 427.595 3.775 50 0 IHAARO Cc1ccc(-c2noc(CC[N@@H+](Cc3ccco3)C[C@@H](O)COCc3ccco3)n2)cc1 ZINC000036147600 556594114 /nfs/dbraw/zinc/59/41/14/556594114.db2.gz BMGQFYPXSSMAHJ-HXUWFJFHSA-N 1 0 437.496 3.853 50 0 IHAARO Cc1ccc(-c2noc(CC[N@@H+](Cc3ccco3)C[C@H](O)COCc3ccco3)n2)cc1 ZINC000036147597 556594135 /nfs/dbraw/zinc/59/41/35/556594135.db2.gz BMGQFYPXSSMAHJ-FQEVSTJZSA-N 1 0 437.496 3.853 50 0 IHAARO O=C(CCNC(=O)c1ccc(Br)cc1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000016259342 556594890 /nfs/dbraw/zinc/59/48/90/556594890.db2.gz OFHKKILOISJYKY-FQEVSTJZSA-N 1 0 444.373 3.522 50 0 IHAARO COc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000016752082 556637908 /nfs/dbraw/zinc/63/79/08/556637908.db2.gz IGDIHKIWMGUBBK-QFIPXVFZSA-N 1 0 436.508 3.616 50 0 IHAARO C[NH+](C)CCNC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)c2cccc(F)c2)cc1 ZINC000037556706 556644982 /nfs/dbraw/zinc/64/49/82/556644982.db2.gz VVHJRWTYFKTNTQ-UHFFFAOYSA-N 1 0 433.527 3.893 50 0 IHAARO COc1cc(/C=C2\CCCC3=C2[NH+]=C2N=CNN2[C@@H]3c2ccc(O)c(OC)c2)ccc1O ZINC000001107118 556690815 /nfs/dbraw/zinc/69/08/15/556690815.db2.gz OZBRQVWXQQYJJR-WIJYMUHASA-N 1 0 432.480 3.896 50 0 IHAARO CCC[N@H+](CC(=O)Nc1cccc(I)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000252679844 556694190 /nfs/dbraw/zinc/69/41/90/556694190.db2.gz SAZXOMCXQUIHQK-CGTJXYLNSA-N 1 0 442.341 3.755 50 0 IHAARO O=C(CC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1)N1CCN(c2ccccn2)CC1 ZINC000019148672 556707213 /nfs/dbraw/zinc/70/72/13/556707213.db2.gz QTGNNFIWGVXBJC-IBGZPJMESA-N 1 0 428.527 3.701 50 0 IHAARO CCOc1ccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)cc1CO ZINC000019334833 556738126 /nfs/dbraw/zinc/73/81/26/556738126.db2.gz QEZATXQQVIOGOE-DEOSSOPVSA-N 1 0 427.564 3.503 50 0 IHAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3cccc4nonc43)CC2)c1 ZINC000055244128 556738542 /nfs/dbraw/zinc/73/85/42/556738542.db2.gz SVSBSZVERZJRJB-UHFFFAOYSA-N 1 0 436.512 3.511 50 0 IHAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)NCCc4ccc(C)cc4)c(C)c32)CC1 ZINC000033048425 556745049 /nfs/dbraw/zinc/74/50/49/556745049.db2.gz YHCCMQSOXJRSSV-UHFFFAOYSA-N 1 0 437.613 3.813 50 0 IHAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)NCc4ccccc4F)c(C)c32)CC1 ZINC000033048474 556745077 /nfs/dbraw/zinc/74/50/77/556745077.db2.gz XVQHQGPKQSFHFX-UHFFFAOYSA-N 1 0 427.549 3.601 50 0 IHAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5cccc(Cl)c5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000061992822 556766878 /nfs/dbraw/zinc/76/68/78/556766878.db2.gz HXHILYRRLVJUGI-UOXXKCJCSA-N 1 0 445.003 3.747 50 0 biogenic IHAARO O=C(NC[C@H]([C@@H]1CCOC1)[NH+]1CCCC1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000058433996 556788172 /nfs/dbraw/zinc/78/81/72/556788172.db2.gz XLHGSNHCQYZHSA-XMSQKQJNSA-N 1 0 446.567 3.967 50 0 IHAARO COc1cc(C[N@@H+](Cc2cc(=O)n3c(C)csc3n2)CC(C)C)cc(OC)c1OC ZINC000033068990 556839178 /nfs/dbraw/zinc/83/91/78/556839178.db2.gz SEXXYLTXUHLKFK-UHFFFAOYSA-N 1 0 431.558 3.748 50 0 IHAARO O=C(CCc1nc(C2=CCN(Cc3ccc(Cl)cc3)CC2)no1)NCc1ccco1 ZINC000033069209 556850835 /nfs/dbraw/zinc/85/08/35/556850835.db2.gz BCEBBHFYMJGVJM-UHFFFAOYSA-N 1 0 426.904 3.854 50 0 IHAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000033131255 556871733 /nfs/dbraw/zinc/87/17/33/556871733.db2.gz HJCCSDAMVYDILY-QGZVFWFLSA-N 1 0 442.025 3.509 50 0 IHAARO CCOc1ccc(-c2c[nH+]c(NCc3cc(OC)c(O)c(OC)c3)n2CCOC)cc1 ZINC000004679208 556873853 /nfs/dbraw/zinc/87/38/53/556873853.db2.gz AVCTXMVJXCLPFJ-UHFFFAOYSA-N 1 0 427.501 3.930 50 0 IHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)[C@H](N1CCCCC1)S2 ZINC000004712078 556890310 /nfs/dbraw/zinc/89/03/10/556890310.db2.gz FDHSAMVGGYCYTJ-UZUQRXQVSA-N 1 0 430.618 3.537 50 0 IHAARO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+](Cc2c(C)n(C)n(-c3ccccc3)c2=O)C1 ZINC000019745094 556891723 /nfs/dbraw/zinc/89/17/23/556891723.db2.gz HDHJVJBELPCUAC-MHZLTWQESA-N 1 0 447.579 3.872 50 0 IHAARO CCN1CC[NH+](C2CCN(C(=O)c3ccc4oc(CCc5ccccc5)nc4c3)CC2)CC1 ZINC000019792583 556915572 /nfs/dbraw/zinc/91/55/72/556915572.db2.gz SBHJLMDINHEDFM-UHFFFAOYSA-N 1 0 446.595 3.855 50 0 IHAARO COc1ccccc1OCC[NH2+]C[C@H](O)COc1cc(C)c(OC(=O)C(C)C)c(C)c1C ZINC000019800213 556917351 /nfs/dbraw/zinc/91/73/51/556917351.db2.gz YUZMOGBQPNIKNZ-FQEVSTJZSA-N 1 0 445.556 3.590 50 0 IHAARO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)CC[C@H]1Cc3ccccc3NC1=O)c1ccccc1O2 ZINC000096997621 557011313 /nfs/dbraw/zinc/01/13/13/557011313.db2.gz ANOOBBDKNIDLQQ-SIKLNZKXSA-N 1 0 433.552 3.682 50 0 IHAARO C[C@@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944840 557027830 /nfs/dbraw/zinc/02/78/30/557027830.db2.gz KZGVZGPNIMCSML-INIZCTEOSA-N 1 0 446.473 3.615 50 0 IHAARO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1CC ZINC000022777644 557042776 /nfs/dbraw/zinc/04/27/76/557042776.db2.gz RELJNUHHANEZHV-WMZOPIPTSA-N 1 0 429.586 3.993 50 0 IHAARO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cnn(C)c1)[NH+](C)C ZINC000048309436 557059907 /nfs/dbraw/zinc/05/99/07/557059907.db2.gz RSTMJSFSHLABPE-SFHVURJKSA-N 1 0 433.405 3.504 50 0 IHAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)CCOc3ccc(F)c(Cl)c3)cc2)CC1 ZINC000048301037 557062623 /nfs/dbraw/zinc/06/26/23/557062623.db2.gz DNULRQBWEFDIFH-UHFFFAOYSA-N 1 0 433.955 3.702 50 0 IHAARO O=c1c2c(ncn1C1Cc3ccccc3C1)sc1c2CC[C@H]([NH2+]Cc2cccnc2)C1 ZINC000023129996 557066872 /nfs/dbraw/zinc/06/68/72/557066872.db2.gz DVWKDFWCICWQSG-IBGZPJMESA-N 1 0 428.561 3.840 50 0 IHAARO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023236658 557075985 /nfs/dbraw/zinc/07/59/85/557075985.db2.gz DMDUVILYCCLJLF-UHFFFAOYSA-N 1 0 449.599 3.583 50 0 IHAARO CCc1cccc(C)c1NC(=O)Cn1c(=O)c2c(nc1-c1ccc(F)cc1)CC[N@@H+](CC)C2 ZINC000049400682 557096213 /nfs/dbraw/zinc/09/62/13/557096213.db2.gz KRRVYMADAOBURW-UHFFFAOYSA-N 1 0 448.542 3.937 50 0 IHAARO C[NH+](C)[C@@H](CNc1nc(CN2CCOCC2)nc2sc3c(c21)CCC3)c1cccs1 ZINC000023744774 557113683 /nfs/dbraw/zinc/11/36/83/557113683.db2.gz VSYDNBVKNTYLMU-INIZCTEOSA-N 1 0 443.642 3.789 50 0 IHAARO CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(C[NH+]4CCCCC4)cc3)cc2C[C@H]1C ZINC000006929216 557142440 /nfs/dbraw/zinc/14/24/40/557142440.db2.gz VXLAWYVDBXBKIB-QGZVFWFLSA-N 1 0 427.570 3.771 50 0 IHAARO Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c2)c1 ZINC000011422644 557145551 /nfs/dbraw/zinc/14/55/51/557145551.db2.gz RSLMVNNBVGNWOH-UHFFFAOYSA-N 1 0 429.586 3.835 50 0 IHAARO CCOC(=O)c1c(C)[nH]c(C(=O)Nc2nc3ccccc3n2CC[NH+](CC)CC)c1C ZINC000011555144 557183582 /nfs/dbraw/zinc/18/35/82/557183582.db2.gz FWXFPEDJFOYDET-UHFFFAOYSA-N 1 0 425.533 3.752 50 0 IHAARO COc1cccc([C@H](CNC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)[NH+](C)C)c1 ZINC000018017005 557214008 /nfs/dbraw/zinc/21/40/08/557214008.db2.gz IEUAHDBQOIUNRB-DEOSSOPVSA-N 1 0 447.535 3.636 50 0 IHAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000007978477 557230074 /nfs/dbraw/zinc/23/00/74/557230074.db2.gz GARCYQAMRPGMJG-FQEVSTJZSA-N 1 0 426.586 3.945 50 0 IHAARO COCC[NH+]1CCC(C[N@H+](Cc2c[nH]nc2-c2cccc(F)c2)Cc2ccncc2)CC1 ZINC000011661327 557234331 /nfs/dbraw/zinc/23/43/31/557234331.db2.gz SAZWEHHFGOAALR-UHFFFAOYSA-N 1 0 437.563 3.971 50 0 IHAARO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(C)c3C)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000101275040 557265928 /nfs/dbraw/zinc/26/59/28/557265928.db2.gz DATLZRAUYJOGKE-PBQROFAYSA-N 1 0 449.938 3.696 50 0 IHAARO COc1ccc(-c2noc(CCC(=O)N3CCc4c3cccc4C[NH+]3CCCC3)n2)cc1 ZINC000072306402 557293437 /nfs/dbraw/zinc/29/34/37/557293437.db2.gz UHIZRZMZVDSPLH-UHFFFAOYSA-N 1 0 432.524 3.863 50 0 IHAARO COc1ccc(-c2cnc3ncnn3c2N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000023450237 557356600 /nfs/dbraw/zinc/35/66/00/557356600.db2.gz UHLQXGCDMKDYFB-VMPITWQZSA-N 1 0 426.524 3.635 50 0 IHAARO COc1cccc(NC(=O)[C@H]([NH2+]CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c2ccccc2)c1 ZINC000104885447 557463378 /nfs/dbraw/zinc/46/33/78/557463378.db2.gz YKDJXAVLKTUHBD-DNVFCKCGSA-N 1 0 425.573 3.852 50 0 IHAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C[C@H](C)O ZINC000105002875 557470308 /nfs/dbraw/zinc/47/03/08/557470308.db2.gz LWWJOYCBEKARIC-OXJNMPFZSA-N 1 0 437.005 3.999 50 0 IHAARO Cc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](CC(C)C)C[C@H](C)O ZINC000105004200 557471089 /nfs/dbraw/zinc/47/10/89/557471089.db2.gz VEJMHTJVNLMTDS-FPOVZHCZSA-N 1 0 430.614 3.900 50 0 IHAARO COc1ccc([C@@H](CC(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)NC(C)=O)cc1 ZINC000105711754 557509931 /nfs/dbraw/zinc/50/99/31/557509931.db2.gz IVKIGMYPMRADKT-MGPUTAFESA-N 1 0 430.574 3.590 50 0 IHAARO C[C@@H](Oc1ccc(C(=O)NCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cn1)c1ccccc1 ZINC000106627588 557531139 /nfs/dbraw/zinc/53/11/39/557531139.db2.gz XAQUWSHPQWWRIG-BWKNWUBXSA-N 1 0 444.579 3.940 50 0 IHAARO O=C(c1ccc(F)cc1Cl)N1CCN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000225676095 557761391 /nfs/dbraw/zinc/76/13/91/557761391.db2.gz UNSVWGFVOXYZJV-OAQYLSRUSA-N 1 0 445.966 3.528 50 0 IHAARO COc1ccc([C@H](CNC(=O)[C@@H](C)n2ccc3ccccc3c2=O)[NH+]2CCCCC2)cc1 ZINC000225747546 557772460 /nfs/dbraw/zinc/77/24/60/557772460.db2.gz XFVOTQLUMXBOJM-DVECYGJZSA-N 1 0 433.552 3.915 50 0 IHAARO COc1ccc([C@@H](CNC(=O)[C@H](C)n2ccc3ccccc3c2=O)[NH+]2CCCCC2)cc1 ZINC000225747519 557772480 /nfs/dbraw/zinc/77/24/80/557772480.db2.gz XFVOTQLUMXBOJM-YADARESESA-N 1 0 433.552 3.915 50 0 IHAARO C[NH+](C)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(Br)c1 ZINC000002410218 562927474 /nfs/dbraw/zinc/92/74/74/562927474.db2.gz FTNXQDJBKPYHEB-GOSISDBHSA-N 1 0 427.298 3.662 50 0 IHAARO CCCn1c2ccccc2c2cnn(CC(=O)NCCC[N@@H+]3CCCC[C@@H]3CC)c(=O)c21 ZINC000008591488 562952075 /nfs/dbraw/zinc/95/20/75/562952075.db2.gz NIUJUCTYTVSREC-IBGZPJMESA-N 1 0 437.588 3.532 50 0 IHAARO CCOC(=O)N1CCC(N(CC[NH+](C)C)C(=S)Nc2ccc(F)c(Cl)c2)CC1 ZINC000015961198 563020479 /nfs/dbraw/zinc/02/04/79/563020479.db2.gz ZGCCBFIXWHYFGZ-UHFFFAOYSA-N 1 0 430.977 3.660 50 0 IHAARO COc1cc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)ccc1O ZINC000003655667 568753419 /nfs/dbraw/zinc/75/34/19/568753419.db2.gz JTJLYBYDNKCQDR-JOCHJYFZSA-N 1 0 436.508 3.621 50 0 IHAARO O=C([C@H]1CC12CC[NH+](Cc1ccc(O)cc1)CC2)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000299761867 568755996 /nfs/dbraw/zinc/75/59/96/568755996.db2.gz YTLPCQCGZUWKFC-QBHGEWLWSA-N 1 0 445.607 3.852 50 0 IHAARO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN([C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000083864127 568783730 /nfs/dbraw/zinc/78/37/30/568783730.db2.gz UBYBCCQBAALIKP-KRWDZBQOSA-N 1 0 437.428 3.765 50 0 IHAARO Cc1c(C(=O)N2CCC([NH+]3CCCCC3)CC2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000015675261 568803816 /nfs/dbraw/zinc/80/38/16/568803816.db2.gz NSYUMLKMZYSVGR-UHFFFAOYSA-N 1 0 428.602 3.583 50 0 IHAARO CC[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1CCN(c2nc3cccnc3s2)CC1 ZINC000015770329 568822291 /nfs/dbraw/zinc/82/22/91/568822291.db2.gz QPUZOAUPEMHEJI-HXUWFJFHSA-N 1 0 437.613 3.935 50 0 IHAARO COc1ccc2c(c1)C[C@H](C(=O)NCC[N@H+](CCc1ccccc1)Cc1ccco1)CO2 ZINC000015786291 568835889 /nfs/dbraw/zinc/83/58/89/568835889.db2.gz SIICMJADSCWDOJ-QFIPXVFZSA-N 1 0 434.536 3.700 50 0 IHAARO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016000532 568873185 /nfs/dbraw/zinc/87/31/85/568873185.db2.gz MILNJVZYCPJSNJ-BPJRARJCSA-N 1 0 449.938 3.696 50 0 IHAARO CN(C(=O)Nc1ccc2c(c1)OCCCO2)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000222018729 568885063 /nfs/dbraw/zinc/88/50/63/568885063.db2.gz ZDXUAGUOJWLTHN-NHCUHLMSSA-N 1 0 430.593 3.649 50 0 IHAARO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000229532790 568886814 /nfs/dbraw/zinc/88/68/14/568886814.db2.gz MEMQQBUOSZAGAU-NTKDMRAZSA-N 1 0 442.003 3.883 50 0 IHAARO C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N1CCC[C@H]1c1cccs1 ZINC000242317069 568912741 /nfs/dbraw/zinc/91/27/41/568912741.db2.gz YXBFPFFDICREKE-BBRMVZONSA-N 1 0 442.006 3.816 50 0 IHAARO C[C@@H]1CCCCN1[C@H]1CC(=O)N(c2ccc(Br)cc2Br)C1=O ZINC000245295550 568914327 /nfs/dbraw/zinc/91/43/27/568914327.db2.gz HPIUKAZXFXVOSS-YGRLFVJLSA-N 1 0 430.140 3.718 50 0 IHAARO CC(C)OC[C@H](O)CN(Cc1ccc(F)cc1F)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146418 568962795 /nfs/dbraw/zinc/96/27/95/568962795.db2.gz QQMBJZVCOSXPLW-RTWAWAEBSA-N 1 0 436.474 3.885 50 0 IHAARO CC(C)(C)OC[C@H](O)C[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C1CCCCC1 ZINC000036159086 568966914 /nfs/dbraw/zinc/96/69/14/568966914.db2.gz TYPHSFAJXHZIPH-MRXNPFEDSA-N 1 0 433.618 3.784 50 0 IHAARO Cc1nc2cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)ccc2n(Cc2ccccc2)c1=O ZINC000064859201 568972483 /nfs/dbraw/zinc/97/24/83/568972483.db2.gz UETHLFXSVNUGDK-UHFFFAOYSA-N 1 0 444.579 3.844 50 0 IHAARO CC[C@H](C(=O)NCC[NH+]1CCCCCC1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000006799364 568990333 /nfs/dbraw/zinc/99/03/33/568990333.db2.gz QNXRLGLAYKOUPL-GOSISDBHSA-N 1 0 426.586 3.863 50 0 IHAARO COC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C1CC1 ZINC000036306228 568995414 /nfs/dbraw/zinc/99/54/14/568995414.db2.gz QKMVTOWVIVRSKR-HXUWFJFHSA-N 1 0 437.540 3.860 50 0 IHAARO Cc1nc(C)c(Cc2cccc(F)c2)c(N2CC[NH+](C[C@H](O)Cc3ccccc3)CC2)n1 ZINC000036340170 569078613 /nfs/dbraw/zinc/07/86/13/569078613.db2.gz HGWYWHHXQADGRP-XMMPIXPASA-N 1 0 434.559 3.549 50 0 IHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@@H]2c2ccccc2OC)CC1 ZINC000036341372 569079346 /nfs/dbraw/zinc/07/93/46/569079346.db2.gz DCCDMZCMYZZXMX-XMMPIXPASA-N 1 0 434.584 3.627 50 0 IHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccccc3OC)C[C@H]2c2ccccc2Cl)CC1 ZINC000036343902 569079778 /nfs/dbraw/zinc/07/97/78/569079778.db2.gz ZQGJKOMAMGJVLZ-QFIPXVFZSA-N 1 0 440.975 3.664 50 0 IHAARO Cc1c(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000006840482 569085769 /nfs/dbraw/zinc/08/57/69/569085769.db2.gz BUJLDIAHGYQFGL-HOTGVXAUSA-N 1 0 430.618 3.591 50 0 IHAARO CC[N@H+](CCNC(=O)[C@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1)Cc1ccccc1 ZINC000065023691 569089390 /nfs/dbraw/zinc/08/93/90/569089390.db2.gz LKXGIXWPUHEVTR-DEOSSOPVSA-N 1 0 443.595 3.998 50 0 IHAARO Cn1cc(CC[NH+]2CCC(C(=O)NCc3ccc(F)cc3Cl)CC2)c2cccnc21 ZINC000065164931 569112952 /nfs/dbraw/zinc/11/29/52/569112952.db2.gz VVMLQUGHLDDIPM-UHFFFAOYSA-N 1 0 428.939 3.937 50 0 IHAARO CC(C)[NH+]1CCC(CC(=O)N2CC[C@]3(C2)NCc2ccccc2NC3=NC(C)(C)C)CC1 ZINC000065266019 569127424 /nfs/dbraw/zinc/12/74/24/569127424.db2.gz HJVNSPDTPWOAMX-AREMUKBSSA-N 1 0 439.648 3.690 50 0 IHAARO CC1CCN(C(=O)c2cc3c(s2)CC[C@H](C(=O)NCCC[NH+]2CCCCC2)C3)CC1 ZINC000065272654 569129118 /nfs/dbraw/zinc/12/91/18/569129118.db2.gz YFINWRBRGUHHKI-IBGZPJMESA-N 1 0 431.646 3.717 50 0 IHAARO C[C@@H](Oc1ccc(C(=O)NCc2ccccc2CN2CC[NH+](C)CC2)cn1)c1ccccc1 ZINC000065551333 569139642 /nfs/dbraw/zinc/13/96/42/569139642.db2.gz GCEDOTLCKUFXOD-OAQYLSRUSA-N 1 0 444.579 3.899 50 0 IHAARO CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)N2CCC(CCC[NH+](C)C)CC2)C1(C)C ZINC000170602337 569143263 /nfs/dbraw/zinc/14/32/63/569143263.db2.gz OKPPBAKHGVAMOK-NTKDMRAZSA-N 1 0 439.641 3.665 50 0 IHAARO CCO[C@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)N2CCC(CCC[NH+](C)C)CC2)C1(C)C ZINC000170602338 569143321 /nfs/dbraw/zinc/14/33/21/569143321.db2.gz OKPPBAKHGVAMOK-YADARESESA-N 1 0 439.641 3.665 50 0 IHAARO CCC[NH+]1CCN(c2ccc(NC(=O)CSCc3ccccn3)c(OCC)c2)CC1 ZINC000170606084 569143860 /nfs/dbraw/zinc/14/38/60/569143860.db2.gz QXRSOFVLYLHUDB-UHFFFAOYSA-N 1 0 428.602 3.884 50 0 IHAARO C[N@H+](CC(=O)NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)[C@@H]1CCCc2ccccc21 ZINC000016699092 569159802 /nfs/dbraw/zinc/15/98/02/569159802.db2.gz RZOXPHAJAHPADT-NCJDQSJGSA-N 1 0 449.576 3.849 50 0 IHAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH2+]C4CCN(Cc5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000002102967 569179891 /nfs/dbraw/zinc/17/98/91/569179891.db2.gz NILKEYZRQOIGIQ-INKRWSNDSA-N 1 0 438.612 3.526 50 0 biogenic IHAARO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000252505747 569188228 /nfs/dbraw/zinc/18/82/28/569188228.db2.gz MNONSUIXZSLUGE-YLJYHZDGSA-N 1 0 440.554 3.643 50 0 IHAARO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000252512105 569188867 /nfs/dbraw/zinc/18/88/67/569188867.db2.gz MOKWBPUITPKYFX-BHIYHBOVSA-N 1 0 432.012 3.632 50 0 IHAARO CN([C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000170690729 569195834 /nfs/dbraw/zinc/19/58/34/569195834.db2.gz NISHWYGBUXMQHC-MOPGFXCFSA-N 1 0 447.567 3.663 50 0 IHAARO Cc1ccccc1C(=O)NC1CCN(c2ccccc2C(=O)NCC[NH+]2CCCCC2)CC1 ZINC000037524048 569198406 /nfs/dbraw/zinc/19/84/06/569198406.db2.gz RZYLDEQXPVKUKM-UHFFFAOYSA-N 1 0 448.611 3.610 50 0 IHAARO COc1cc(C[NH+]2CCC(N(C(C)=O)c3ccc(OC)c(OC)c3)CC2)cc(OC)c1 ZINC000037560410 569201045 /nfs/dbraw/zinc/20/10/45/569201045.db2.gz UELUPTWXSFUHNZ-UHFFFAOYSA-N 1 0 428.529 3.739 50 0 IHAARO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000195529527 569204230 /nfs/dbraw/zinc/20/42/30/569204230.db2.gz NXBVONWVPOOUDG-QRVBRYPASA-N 1 0 429.586 3.584 50 0 IHAARO O=C(CC1CCCC1)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000581819811 569211543 /nfs/dbraw/zinc/21/15/43/569211543.db2.gz MLGZKGPHXWZQOZ-XMMPIXPASA-N 1 0 425.617 3.929 50 0 IHAARO O=C(Cc1ccccc1)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000581819866 569211588 /nfs/dbraw/zinc/21/15/88/569211588.db2.gz PFIUPOFIFYDYMC-VWLOTQADSA-N 1 0 433.596 3.592 50 0 IHAARO CC(C)CN1CC[NH+]([C@H]2CCOC3(CCN(C(=O)c4ccc5cc[nH]c5c4)CC3)C2)CC1 ZINC000581819843 569211652 /nfs/dbraw/zinc/21/16/52/569211652.db2.gz ODJLDBTWQATDKN-QHCPKHFHSA-N 1 0 438.616 3.595 50 0 IHAARO CC(C)CN1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)CCCc4ccccc4)CC3)C2)CC1 ZINC000581820170 569211763 /nfs/dbraw/zinc/21/17/63/569211763.db2.gz WOYFDUOKTLEJIY-RUZDIDTESA-N 1 0 441.660 3.823 50 0 IHAARO O=C(C1CCCCC1)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000581820132 569211814 /nfs/dbraw/zinc/21/18/14/569211814.db2.gz UBLGEVSSSMZUHH-XMMPIXPASA-N 1 0 425.617 3.929 50 0 IHAARO C[C@H]([NH2+][C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000253417264 569266486 /nfs/dbraw/zinc/26/64/86/569266486.db2.gz BDHHDZHTZOLZIQ-ZFHIRANCSA-N 1 0 431.577 3.639 50 0 IHAARO O=C(CN1CC[NH+](CCn2ccc3cc(Cl)ccc32)CC1)N1CCCc2ccccc21 ZINC000253419583 569266776 /nfs/dbraw/zinc/26/67/76/569266776.db2.gz PYNMXSSAGBXLDL-UHFFFAOYSA-N 1 0 436.987 3.892 50 0 IHAARO CC[C@@H]1NC(=O)N(c2cccc(NC(=O)N3CCC[N@H+](Cc4ccccc4)C[C@@H]3C)c2)C1=O ZINC000253424928 569267037 /nfs/dbraw/zinc/26/70/37/569267037.db2.gz MOGROSRKMWZGFN-AVRDEDQJSA-N 1 0 449.555 3.650 50 0 IHAARO O[C@H](COc1ccccc1F)C[NH+](Cc1ccccc1)C[C@H](O)COc1ccccc1F ZINC000013149379 569312147 /nfs/dbraw/zinc/31/21/47/569312147.db2.gz FKJSKAPZBGYQLJ-SFTDATJTSA-N 1 0 443.490 3.647 50 0 IHAARO C[NH+](C)Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)cc1F ZINC000079016090 569322087 /nfs/dbraw/zinc/32/20/87/569322087.db2.gz QOAYWDDOYSEVCY-INIZCTEOSA-N 1 0 437.437 3.893 50 0 IHAARO CN(C(=O)Nc1ccc2c(c1)OCCCO2)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000095446469 569367386 /nfs/dbraw/zinc/36/73/86/569367386.db2.gz ZDXUAGUOJWLTHN-SFTDATJTSA-N 1 0 430.593 3.649 50 0 IHAARO C[C@@H]1C[NH+](CCc2cccc(NC(=O)[C@@H](c3ccccc3F)N3CCOCC3)c2)C[C@H]1C ZINC000095464926 569370656 /nfs/dbraw/zinc/37/06/56/569370656.db2.gz OQEVALRCYGSVKT-UMEGOILYSA-N 1 0 439.575 3.968 50 0 IHAARO CC(C)N(C(=O)CN1CCC[C@H](C[N@H+](CC(=O)N(C(C)C)C(C)C)C(C)C)C1)C(C)C ZINC000095979974 569377886 /nfs/dbraw/zinc/37/78/86/569377886.db2.gz HSGKHKSLMUKHDU-QHCPKHFHSA-N 1 0 438.701 3.700 50 0 IHAARO C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CC(=O)Nc1ccccc1C(N)=O ZINC000095995954 569378699 /nfs/dbraw/zinc/37/86/99/569378699.db2.gz BFLSPJCRCZULNB-BBATYDOGSA-N 1 0 434.359 3.559 50 0 IHAARO CN(C)c1cn[nH+]c(N2CCN(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)c1 ZINC000096098679 569381562 /nfs/dbraw/zinc/38/15/62/569381562.db2.gz WKIDGPJTIAKXOZ-UHFFFAOYSA-N 1 0 428.846 3.569 50 0 IHAARO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cnn1-c1ccc(Br)cc1 ZINC000226848085 569429758 /nfs/dbraw/zinc/42/97/58/569429758.db2.gz ZENVVZXTOQNRNR-JXFKEZNVSA-N 1 0 431.378 3.938 50 0 biogenic IHAARO CCC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)oc2C)C1 ZINC000670434331 569443273 /nfs/dbraw/zinc/44/32/73/569443273.db2.gz PMKBOQUCJKCFQX-CYBMUJFWSA-N 1 0 435.468 3.662 50 0 IHAARO CC(C)[C@H]([NH2+]CC(=O)N1CCN(Cc2cccs2)CC1)c1ccc2c(c1)OCCCO2 ZINC000008747854 569473187 /nfs/dbraw/zinc/47/31/87/569473187.db2.gz FERHEOMQNHOSMA-DEOSSOPVSA-N 1 0 443.613 3.541 50 0 IHAARO Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000008812918 569476593 /nfs/dbraw/zinc/47/65/93/569476593.db2.gz OVVSKTDYFFCZQB-AREMUKBSSA-N 1 0 447.623 3.947 50 0 IHAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCN(c4ncccc4Cl)C3)cc2)CC1 ZINC000040134960 569490624 /nfs/dbraw/zinc/49/06/24/569490624.db2.gz YZOJFSDENYNNFZ-SFHVURJKSA-N 1 0 427.980 3.732 50 0 IHAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)c1csc(NC(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000040355580 569499818 /nfs/dbraw/zinc/49/98/18/569499818.db2.gz BDNDOYJVMYYMTH-CQSZACIVSA-N 1 0 426.464 3.628 50 0 IHAARO COc1ccc([S@](=O)Cc2ccc(C(=O)NCCC[N@H+](C)Cc3ccccc3)o2)cc1 ZINC000009115720 569502788 /nfs/dbraw/zinc/50/27/88/569502788.db2.gz UBSNSRPLHKLXHR-HKBQPEDESA-N 1 0 440.565 3.848 50 0 IHAARO Cc1c(C(=O)N2CCCCC2)nnn1-c1cccc2c1CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000069894977 569523002 /nfs/dbraw/zinc/52/30/02/569523002.db2.gz GWSGRYVTTJLTSN-UHFFFAOYSA-N 1 0 433.531 3.899 50 0 IHAARO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@H](C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000009462533 569537309 /nfs/dbraw/zinc/53/73/09/569537309.db2.gz ZEXLUBLZRNFVBG-ZNMIVQPWSA-N 1 0 431.533 3.667 50 0 IHAARO CSCC[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000009668175 569557943 /nfs/dbraw/zinc/55/79/43/569557943.db2.gz DYEZODKJFRWBRH-LZNFGNRXSA-N 1 0 425.683 3.535 50 0 IHAARO Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCC[N@@H+](C)C2CCCCC2)o1 ZINC000009731587 569564603 /nfs/dbraw/zinc/56/46/03/569564603.db2.gz OIXMYSZGBJPCEL-UHFFFAOYSA-N 1 0 432.586 3.946 50 0 IHAARO O=C(Nc1cccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1)C1=CSCCO1 ZINC000009738590 569564882 /nfs/dbraw/zinc/56/48/82/569564882.db2.gz DWYDWTYTQGWWHR-UHFFFAOYSA-N 1 0 437.565 3.624 50 0 IHAARO CC(C)c1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+](C)C)c3c2CCCC3)cc1 ZINC000009748005 569565886 /nfs/dbraw/zinc/56/58/86/569565886.db2.gz OQTMVKOHFHABSM-UHFFFAOYSA-N 1 0 442.629 3.928 50 0 IHAARO O=C(NC[C@@H](c1cccc2ccccc21)[NH+]1CCCC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000010333973 569581028 /nfs/dbraw/zinc/58/10/28/569581028.db2.gz DXADYWSKXNZYRH-QFIPXVFZSA-N 1 0 445.519 3.503 50 0 IHAARO Cn1cc([C@@H](CNS(=O)(=O)c2ccc(Br)s2)[NH+](C)C)c2ccccc21 ZINC000077171697 569585767 /nfs/dbraw/zinc/58/57/67/569585767.db2.gz KOHXHKGAOLNALP-OAHLLOKOSA-N 1 0 442.404 3.584 50 0 IHAARO CCOc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000004707000 132272764 /nfs/dbraw/zinc/27/27/64/132272764.db2.gz PZAVJPXLIMVASR-UHFFFAOYSA-N 1 0 425.548 3.785 50 0 IHAARO Cc1ccc(Cc2nnc(C(=O)NCCC[NH+]3CCN(c4cc(C)ccc4C)CC3)o2)cc1 ZINC000009561256 132321492 /nfs/dbraw/zinc/32/14/92/132321492.db2.gz MKHBLSVQQOWMOQ-UHFFFAOYSA-N 1 0 447.583 3.528 50 0 IHAARO CCOc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000009635885 132324196 /nfs/dbraw/zinc/32/41/96/132324196.db2.gz KFMOCFINEFDDBT-UHFFFAOYSA-N 1 0 425.548 3.785 50 0 IHAARO CCOC(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)c2ccc(OC)c(Cl)c2)c1 ZINC000010059901 132334461 /nfs/dbraw/zinc/33/44/61/132334461.db2.gz HQFJABZCDFLKOC-UHFFFAOYSA-N 1 0 445.947 3.920 50 0 IHAARO CC(C)[NH+](CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)C2)c1)C(C)C ZINC000012745087 519647799 /nfs/dbraw/zinc/64/77/99/519647799.db2.gz RNQKZVOPCCMEFS-QGZVFWFLSA-N 1 0 444.041 3.609 50 0 IHAARO CC(C)CCNC(=O)[C@]1(C)CCC(=O)N1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000021776507 519661310 /nfs/dbraw/zinc/66/13/10/519661310.db2.gz QRZOOGRMEMBKGV-SANMLTNESA-N 1 0 427.633 3.875 50 0 IHAARO CC(C)[C@@H](C(=O)NCC1CC[NH+](Cc2ccc(F)cc2)CC1)N1Cc2ccccc2C1=O ZINC000020531327 519789151 /nfs/dbraw/zinc/78/91/51/519789151.db2.gz ARXWIEFNQZAOLP-DEOSSOPVSA-N 1 0 437.559 3.835 50 0 IHAARO CC(C)[C@H]([NH2+][C@H](C)C(=O)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000012606189 519821527 /nfs/dbraw/zinc/82/15/27/519821527.db2.gz IDMYFKWBUNGMFA-NLFFAJNJSA-N 1 0 437.584 3.872 50 0 IHAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2cccc(OCCO)c2)CC1 ZINC000012458855 520457004 /nfs/dbraw/zinc/45/70/04/520457004.db2.gz BUYLVGOAHKLHJG-UHFFFAOYSA-N 1 0 427.541 3.672 50 0 IHAARO CCOC(=O)C1C(C[NH2+]CCc2ccc(Cl)cc2)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000012412507 520516343 /nfs/dbraw/zinc/51/63/43/520516343.db2.gz ZYCZPPTZTCZUFT-JOCHJYFZSA-N 1 0 441.959 3.960 50 0 IHAARO CCOC(=O)C1CC[NH+]([C@@H](c2ccc(SC)cc2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000022697249 520580728 /nfs/dbraw/zinc/58/07/28/520580728.db2.gz YJPMJEXRJRODEC-QFIPXVFZSA-N 1 0 444.597 3.969 50 0 IHAARO CC[NH+](CC)CCN(C(=O)C1=COCCO1)c1nc2c(s1)c(Cl)ccc2OC ZINC000012345273 520639291 /nfs/dbraw/zinc/63/92/91/520639291.db2.gz RICWKTIYOLKINK-UHFFFAOYSA-N 1 0 425.938 3.521 50 0 IHAARO CC[NH+](CC)CCOC(=O)c1cnn2c1nc(-c1ccccc1OC)cc2C(F)(F)F ZINC000021788980 520691612 /nfs/dbraw/zinc/69/16/12/520691612.db2.gz IHCQJMAUFQWTAH-UHFFFAOYSA-N 1 0 436.434 3.922 50 0 IHAARO CCOc1cc(C[NH2+]CCc2cccs2)cc(Br)c1OCC(=O)N(C)C ZINC000022782337 520718104 /nfs/dbraw/zinc/71/81/04/520718104.db2.gz HNTVKFMMSGCSBU-UHFFFAOYSA-N 1 0 441.391 3.709 50 0 IHAARO CCCCOc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2cccc(C)c2)cc1 ZINC000035422085 520861594 /nfs/dbraw/zinc/86/15/94/520861594.db2.gz KOKOWYYLOFXAHV-UHFFFAOYSA-N 1 0 437.584 3.638 50 0 IHAARO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CS[C@@]2(c3ccccc3)CCC(=O)N12)c1ccccc1 ZINC000012819558 520867324 /nfs/dbraw/zinc/86/73/24/520867324.db2.gz MVVOTBFHYVHETH-TZBSWOFLSA-N 1 0 437.609 3.777 50 0 IHAARO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H](CC(C)C)[NH2+][C@]23C(=O)Nc2ccccc23)cc1 ZINC000012890002 521512489 /nfs/dbraw/zinc/51/24/89/521512489.db2.gz CVVXQQPMKQIYLQ-NNPDTBDGSA-N 1 0 435.524 3.674 50 0 biogenic IHAARO CCCn1c(CN2CC[NH+](CC)CC2)nc2cc(NC(=O)COc3ccc(C)cc3)ccc21 ZINC000020678063 521629486 /nfs/dbraw/zinc/62/94/86/521629486.db2.gz JMSIXKLDVZSUBM-UHFFFAOYSA-N 1 0 449.599 3.910 50 0 IHAARO CC[NH+]1CCN(CCc2nc3cc(NC(=O)c4ccc(Cl)cc4)ccc3n2C)CC1 ZINC000020503358 521683680 /nfs/dbraw/zinc/68/36/80/521683680.db2.gz QRXRSNGHMSERIZ-UHFFFAOYSA-N 1 0 425.964 3.659 50 0 IHAARO CC[NH+]1CCN(c2nc(SCc3cccc(C(=O)NCC(C)C)c3)nc(C)c2C)CC1 ZINC000036062956 521700910 /nfs/dbraw/zinc/70/09/10/521700910.db2.gz QSBPXRGWJLJABT-UHFFFAOYSA-N 1 0 441.645 3.913 50 0 IHAARO CC[C@@H](C)[N@H+](CCNC(=O)c1noc(C)c1Cn1nc(C)cc1C)Cc1cccs1 ZINC000020994062 522088124 /nfs/dbraw/zinc/08/81/24/522088124.db2.gz IHPRAKXLPCRGKT-MRXNPFEDSA-N 1 0 429.590 3.937 50 0 IHAARO CC[C@@H](C)[N@H+](CCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)Cc1cccs1 ZINC000021535856 522090454 /nfs/dbraw/zinc/09/04/54/522090454.db2.gz KLPUKTMZSWRADI-MRXNPFEDSA-N 1 0 435.615 3.602 50 0 IHAARO COc1cc(C[NH2+]CCc2ccccc2)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000022108194 522455760 /nfs/dbraw/zinc/45/57/60/522455760.db2.gz KVGUDUPJNHXQFT-UHFFFAOYSA-N 1 0 429.524 3.891 50 0 IHAARO C[NH2+][C@H]1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4cnc(C)n4C(C)C)n3)cc2)C1 ZINC000035262051 522503156 /nfs/dbraw/zinc/50/31/56/522503156.db2.gz NTSDIJMNXYJJNG-SFHVURJKSA-N 1 0 437.523 3.546 50 0 IHAARO COc1cc(C[C@@H]2CC(C[NH2+]CCc3c[nH]c4ccc(F)cc34)=NO2)cc2c1OCO2 ZINC000015085767 522504425 /nfs/dbraw/zinc/50/44/25/522504425.db2.gz YBUNAHZFBJECEU-GOSISDBHSA-N 1 0 425.460 3.564 50 0 IHAARO CC[C@@H](NC(=O)C1CC[NH+](C2CCN(Cc3cccc(C)n3)CC2)CC1)c1ccncc1 ZINC000012434445 522668261 /nfs/dbraw/zinc/66/82/61/522668261.db2.gz IHUPPXZGGBSHCN-RUZDIDTESA-N 1 0 435.616 3.729 50 0 IHAARO CCc1nnc(C(=O)Nc2ccc(C(=O)NCCC[N@H+]3CCCC[C@@H]3CC)cc2)s1 ZINC000033011426 522721654 /nfs/dbraw/zinc/72/16/54/522721654.db2.gz CNSHWPYQPSKTPM-SFHVURJKSA-N 1 0 429.590 3.737 50 0 IHAARO COc1ccc(-c2ncc(C[NH+]3CCC(CO)(Cc4cccc(OC)c4)CC3)cn2)cc1 ZINC000012593551 523235915 /nfs/dbraw/zinc/23/59/15/523235915.db2.gz BICPISUFAGOIBR-UHFFFAOYSA-N 1 0 433.552 3.978 50 0 IHAARO CCn1cc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)c(C)n1 ZINC000012576574 523372271 /nfs/dbraw/zinc/37/22/71/523372271.db2.gz XSSXZYAMWUTUHZ-DEOSSOPVSA-N 1 0 437.632 3.548 50 0 IHAARO CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]C(c1ccccc1)c1ccccc1)C2 ZINC000014745810 523612922 /nfs/dbraw/zinc/61/29/22/523612922.db2.gz KFHUBWNBPIYNCH-QFIPXVFZSA-N 1 0 444.579 3.612 50 0 IHAARO CCn1nc(C)c2ccnc(N3CCC(C(=O)NCCC[N@H+](C)C4CCCCC4)CC3)c21 ZINC000033299127 523673933 /nfs/dbraw/zinc/67/39/33/523673933.db2.gz XQIRNGRDVVGULC-UHFFFAOYSA-N 1 0 440.636 3.747 50 0 IHAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)c1cccc(OC)c1OC ZINC000012439769 523688179 /nfs/dbraw/zinc/68/81/79/523688179.db2.gz UJRPITIDGMQGFA-UHFFFAOYSA-N 1 0 444.547 3.844 50 0 IHAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cc(F)ccc1F)C(c1ccccc1)=N2 ZINC000035372780 523786632 /nfs/dbraw/zinc/78/66/32/523786632.db2.gz XMQGIRIPWSCGDT-UHFFFAOYSA-N 1 0 428.508 3.960 50 0 IHAARO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(n2c(CCc3ccccc3)nc3cccnc32)CC1 ZINC000012247405 523790325 /nfs/dbraw/zinc/79/03/25/523790325.db2.gz KFGIZQGJFRIANI-HSZRJFAPSA-N 1 0 431.584 3.864 50 0 IHAARO CO[C@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2cnn(C(C)C)c2)CC1)c1ccccc1 ZINC000012467384 523836214 /nfs/dbraw/zinc/83/62/14/523836214.db2.gz CKHWLDQCZFFKSZ-QHCPKHFHSA-N 1 0 436.560 3.824 50 0 IHAARO C[NH+]1CCN(CCNC(=O)c2cc(-c3ccccc3)c(N3CCCCCC3)s2)CC1 ZINC000020985786 523903087 /nfs/dbraw/zinc/90/30/87/523903087.db2.gz AIWUDMPALVSMOJ-UHFFFAOYSA-N 1 0 426.630 3.773 50 0 IHAARO COCCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)CN1Cc1ccccc1Cl ZINC000020776930 523913222 /nfs/dbraw/zinc/91/32/22/523913222.db2.gz LZIHNVMTDLPJJO-VWNXMTODSA-N 1 0 444.019 3.959 50 0 IHAARO C[NH+]1CCN(c2ccc(NC(=O)CCCSc3nc4ccccc4s3)cn2)CC1 ZINC000012613155 523926639 /nfs/dbraw/zinc/92/66/39/523926639.db2.gz LTJMAMITKHIZSK-UHFFFAOYSA-N 1 0 427.599 3.954 50 0 IHAARO CC[C@H](C)[N@H+](CCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)Cc1cccs1 ZINC000021535858 523936184 /nfs/dbraw/zinc/93/61/84/523936184.db2.gz KLPUKTMZSWRADI-INIZCTEOSA-N 1 0 435.615 3.602 50 0 IHAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3ccc(O)c(OC)c3)C2)c(OC)c1 ZINC000012193443 524048130 /nfs/dbraw/zinc/04/81/30/524048130.db2.gz ZSIJFRUOOYVOJC-SFHVURJKSA-N 1 0 442.556 3.727 50 0 IHAARO COc1ccc(C[NH2+][C@@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(C(C)C)C2)c(C)c1C ZINC000020454302 524086632 /nfs/dbraw/zinc/08/66/32/524086632.db2.gz UTCHPWGFXYFJTD-VWNXMTODSA-N 1 0 441.591 3.751 50 0 IHAARO Cc1cccc(-n2ccnc2CN2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)c1 ZINC000012307275 524144543 /nfs/dbraw/zinc/14/45/43/524144543.db2.gz HASHDAHYTBHTLJ-QFIPXVFZSA-N 1 0 437.632 3.726 50 0 IHAARO C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022802534 524150924 /nfs/dbraw/zinc/15/09/24/524150924.db2.gz MXOVZBHKCPBCHH-NRFANRHFSA-N 1 0 448.611 3.941 50 0 IHAARO Cc1cc(C)c(C[N@H+]2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)cc1C ZINC000020776118 524262586 /nfs/dbraw/zinc/26/25/86/524262586.db2.gz GWWZMTOVRYNYHY-NRFANRHFSA-N 1 0 447.583 3.518 50 0 IHAARO Cc1cc(C)n(CC(=O)N(C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)n1 ZINC000012429617 524501501 /nfs/dbraw/zinc/50/15/01/524501501.db2.gz MLROZNBXZFTQLC-RUZDIDTESA-N 1 0 438.616 3.728 50 0 IHAARO COc1ccc(NC(=O)c2ccccc2NC(=O)C[NH2+]C[C@H](c2ccccc2)N(C)C)cc1 ZINC000022037622 524645955 /nfs/dbraw/zinc/64/59/55/524645955.db2.gz FTJRVCQXQVWUKI-XMMPIXPASA-N 1 0 446.551 3.779 50 0 IHAARO COc1ncccc1C(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012586086 525035152 /nfs/dbraw/zinc/03/51/52/525035152.db2.gz JKQACDHXTKLWKI-DEOSSOPVSA-N 1 0 449.595 3.591 50 0 IHAARO COc1ccc([C@@H](CNC(=O)c2ccc(OC)c(OC)c2OC)[NH+]2CCCCC2)cc1 ZINC000012783079 525184556 /nfs/dbraw/zinc/18/45/56/525184556.db2.gz VJSIXQKDACETLN-HXUWFJFHSA-N 1 0 428.529 3.678 50 0 IHAARO C[C@H]([NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)CCCC2 ZINC000012874418 525307921 /nfs/dbraw/zinc/30/79/21/525307921.db2.gz UPUKJDKOSYZBCD-SFHVURJKSA-N 1 0 441.597 3.639 50 0 IHAARO COc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)[NH+]2CCCC2)cc1 ZINC000021805267 525356065 /nfs/dbraw/zinc/35/60/65/525356065.db2.gz QJVQDGOXQJQEQV-NRFANRHFSA-N 1 0 449.507 3.688 50 0 IHAARO COc1ccc([C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)N2CCOCC2)cc1 ZINC000022926844 525361267 /nfs/dbraw/zinc/36/12/67/525361267.db2.gz NKHJZZFSQQGZDN-QFIPXVFZSA-N 1 0 426.948 3.902 50 0 IHAARO Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCC2)N(CC[NH+]2CCCC2)C3=O)o1 ZINC000021811870 525618923 /nfs/dbraw/zinc/61/89/23/525618923.db2.gz CRBGZYHPGZEXSI-RUZDIDTESA-N 1 0 440.588 3.692 50 0 IHAARO Cc1c(C)c2cc(Cl)c(OCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2oc1=O ZINC000012296838 525676762 /nfs/dbraw/zinc/67/67/62/525676762.db2.gz SMAAEEZQLDVJIR-QFBILLFUSA-N 1 0 432.948 3.823 50 0 biogenic IHAARO C[C@H](C(=O)NCCC[NH+]1CCCC1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035562079 526045538 /nfs/dbraw/zinc/04/55/38/526045538.db2.gz PIFRBPCCEAHCCP-KRWDZBQOSA-N 1 0 445.007 3.912 50 0 IHAARO CSc1ncc(C[NH+]2CCC(CCC(=O)N3CCN(c4ccccc4)CC3)CC2)cn1 ZINC000012319629 526221844 /nfs/dbraw/zinc/22/18/44/526221844.db2.gz HHXCUYSRAVHWEB-UHFFFAOYSA-N 1 0 439.629 3.540 50 0 IHAARO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)NC(=O)[C@@H]1CCCCN21 ZINC000021938371 526300443 /nfs/dbraw/zinc/30/04/43/526300443.db2.gz OQUMRMUMFUIUBG-VWLOTQADSA-N 1 0 446.595 3.682 50 0 IHAARO O=C(NCC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cn(Cc2cccc(C(F)(F)F)c2)nn1 ZINC000012439716 526382093 /nfs/dbraw/zinc/38/20/93/526382093.db2.gz HNPMGQRYJCPLFP-FXAWDEMLSA-N 1 0 435.494 3.730 50 0 IHAARO c1cc(C[NH2+]CCc2ccccc2)n(-c2nnc(N3CCN(c4ccccc4)CC3)s2)c1 ZINC000020576471 526426647 /nfs/dbraw/zinc/42/66/47/526426647.db2.gz BRKBBRLAIIZIOB-UHFFFAOYSA-N 1 0 444.608 3.988 50 0 IHAARO Cc1noc(C)c1S(=O)(=O)NC[C@@H](C)Oc1cccc(C[N@H+](C)Cc2ccsc2)c1 ZINC000012456462 526555107 /nfs/dbraw/zinc/55/51/07/526555107.db2.gz UTEXDPBWSYUYLB-OAHLLOKOSA-N 1 0 449.598 3.731 50 0 IHAARO O=C(c1ccc(N2CCC([NH2+]Cc3cc4cc(F)ccc4[nH]3)CC2)cc1)N1CCOCC1 ZINC000012156959 526697684 /nfs/dbraw/zinc/69/76/84/526697684.db2.gz XJSCRTUAJVBJHV-UHFFFAOYSA-N 1 0 436.531 3.538 50 0 IHAARO O=C(NCC1C2CC3CC(C2)CC1C3)c1ccc(C[N@@H+]2CCc3ccccc3C2)[nH]c1=O ZINC000020920887 527588443 /nfs/dbraw/zinc/58/84/43/527588443.db2.gz RMZHFTGOLLDUHK-UHFFFAOYSA-N 1 0 431.580 3.735 50 0 IHAARO O[C@@]1(c2ccc(OC(F)F)cc2)CN2CCCCCC2=[N+]1c1ccc2c(c1)OCCO2 ZINC000002597965 555789872 /nfs/dbraw/zinc/78/98/72/555789872.db2.gz BPFACMBHTCRBEH-HSZRJFAPSA-N 1 0 431.459 3.710 50 0 IHAARO COc1cccc(-c2ccnc3c(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cnn32)c1 ZINC000034786509 555896859 /nfs/dbraw/zinc/89/68/59/555896859.db2.gz TZRYFASIMVEHHP-UHFFFAOYSA-N 1 0 441.535 3.799 50 0 IHAARO Cc1cc(Cl)cc(Br)c1OC[C@H](O)C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000004481098 555996927 /nfs/dbraw/zinc/99/69/27/555996927.db2.gz MRAZYNPZMLOODB-CQSZACIVSA-N 1 0 428.710 3.669 50 0 IHAARO Cc1ccc([C@H]([NH2+]CC(=O)N2CCN(C(=O)c3cccs3)CC2)c2cccs2)cc1 ZINC000032739775 556300339 /nfs/dbraw/zinc/30/03/39/556300339.db2.gz NWQMMSFQDSKFLW-QFIPXVFZSA-N 1 0 439.606 3.782 50 0 IHAARO COc1ccccc1CN1C[C@@H]2C[C@@H](c3cnn(-c4ccccc4F)c3)[N@@H+]3CCC[C@@]23C1=O ZINC000011662052 556343614 /nfs/dbraw/zinc/34/36/14/556343614.db2.gz IQAUFFCNCXHHOZ-CHZKFRDHSA-N 1 0 446.526 3.958 50 0 IHAARO COCC[N@@H+](Cc1cccn1Cc1cccc(F)c1)C[C@@H](O)COCc1ccccc1 ZINC000004490300 556352484 /nfs/dbraw/zinc/35/24/84/556352484.db2.gz YOMFIGHPLQUMFS-RUZDIDTESA-N 1 0 426.532 3.702 50 0 IHAARO CN(C(=O)CC[C@@H]1CCCN(C(=O)CCCc2ccc(F)cc2)C1)C1CC[NH+](C)CC1 ZINC000011814551 556358025 /nfs/dbraw/zinc/35/80/25/556358025.db2.gz XZLXJHSZMKTGHC-NRFANRHFSA-N 1 0 431.596 3.720 50 0 IHAARO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000011878830 556371353 /nfs/dbraw/zinc/37/13/53/556371353.db2.gz RWWARDDXEBVTPI-UHFFFAOYSA-N 1 0 448.523 3.752 50 0 IHAARO O=C1CC[C@H](CC[NH2+]CCOc2ccc(F)cc2)N1Cc1nc2cc(Cl)ccc2[nH]1 ZINC000011912123 556375266 /nfs/dbraw/zinc/37/52/66/556375266.db2.gz KPBCASGGKFYMNJ-QGZVFWFLSA-N 1 0 430.911 3.905 50 0 IHAARO Cc1noc(C)c1COc1ccc(CC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000032800714 556375424 /nfs/dbraw/zinc/37/54/24/556375424.db2.gz YDLSGYBOCICRAU-GOSISDBHSA-N 1 0 433.552 3.976 50 0 IHAARO C[C@H](Oc1ccccc1)C(=O)NC[C@H]1CCC2(CC[NH+](Cc3ccccc3F)CC2)O1 ZINC000011964779 556381402 /nfs/dbraw/zinc/38/14/02/556381402.db2.gz BHJYHDZBNCPCRF-SIKLNZKXSA-N 1 0 426.532 3.923 50 0 IHAARO COc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1C ZINC000011998025 556384953 /nfs/dbraw/zinc/38/49/53/556384953.db2.gz UBQISDYGSWTETD-RUZDIDTESA-N 1 0 447.623 3.950 50 0 IHAARO CCc1cc(C(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)n(C)n1 ZINC000012005502 556386737 /nfs/dbraw/zinc/38/67/37/556386737.db2.gz HEOSPZJHDXIMMD-QFIPXVFZSA-N 1 0 442.579 3.655 50 0 IHAARO O=C1CC[C@H](CC[NH2+]CCOc2ccc(F)cc2)N1CC1(c2ccccc2)CCOCC1 ZINC000012039262 556390433 /nfs/dbraw/zinc/39/04/33/556390433.db2.gz MMRQXSHZZFODLC-HSZRJFAPSA-N 1 0 440.559 3.924 50 0 IHAARO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3cc(F)ccc3OC)C2)cc1Cn1cncn1 ZINC000012054501 556393438 /nfs/dbraw/zinc/39/34/38/556393438.db2.gz LQPFJORTLUIOAK-SFHVURJKSA-N 1 0 438.503 3.578 50 0 IHAARO O=C(Nc1ccc(-n2cccn2)cc1)C1CC[NH+](Cc2ccccc2Cn2cccn2)CC1 ZINC000012072324 556395728 /nfs/dbraw/zinc/39/57/28/556395728.db2.gz CBFVTJURJYKUJJ-UHFFFAOYSA-N 1 0 440.551 3.968 50 0 IHAARO CC[NH+]1CCN(c2cc(C(=O)Nc3cccc(OC)c3)nc3cc(F)cc(F)c32)CC1 ZINC000065183136 556414999 /nfs/dbraw/zinc/41/49/99/556414999.db2.gz HLNYUBSBPHDXIR-UHFFFAOYSA-N 1 0 426.467 3.916 50 0 IHAARO C[N@H+](Cc1cccc(S(=O)(=O)N2CCOCC2)c1)C(c1ccccc1)c1ccccc1 ZINC000032668156 556418251 /nfs/dbraw/zinc/41/82/51/556418251.db2.gz NXUPKKAUQNAXSB-UHFFFAOYSA-N 1 0 436.577 3.929 50 0 IHAARO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(CCCc2cccnc2)C(=O)N3CC(C)C)o1 ZINC000014531253 556420432 /nfs/dbraw/zinc/42/04/32/556420432.db2.gz NIDCXZSICRPGHF-UHFFFAOYSA-N 1 0 438.572 3.871 50 0 IHAARO CCN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3cc(OC)ccc3F)CC2)C1=O ZINC000014532604 556421332 /nfs/dbraw/zinc/42/13/32/556421332.db2.gz XSLTXFDZAUUVNR-UHFFFAOYSA-N 1 0 439.531 3.696 50 0 IHAARO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000060015697 556426776 /nfs/dbraw/zinc/42/67/76/556426776.db2.gz NXBVONWVPOOUDG-CEXWTWQISA-N 1 0 429.586 3.584 50 0 IHAARO CC(C)CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@H+](CCc2ccccc2)C1 ZINC000014741632 556438844 /nfs/dbraw/zinc/43/88/44/556438844.db2.gz XBAIILQJMDHDJG-LEWJYISDSA-N 1 0 425.548 3.717 50 0 IHAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]Cc1cccc(OC)c1OC)C2 ZINC000014754843 556444818 /nfs/dbraw/zinc/44/48/18/556444818.db2.gz BWRVWERLCQQRFY-LJQANCHMSA-N 1 0 440.588 3.584 50 0 IHAARO CCOC(=O)N1CCC(NC(=O)[C@H]2CC23CC[NH+](CC[C@H](C)c2ccc(C)o2)CC3)CC1 ZINC000014888966 556456224 /nfs/dbraw/zinc/45/62/24/556456224.db2.gz KMAWVUVNRLVUOA-GHTZIAJQSA-N 1 0 445.604 3.921 50 0 IHAARO CCOC(=O)c1c(C)oc2nc(C)nc(Nc3ccc(CN4CC[NH+](CC)CC4)cc3)c21 ZINC000022937123 556457927 /nfs/dbraw/zinc/45/79/27/556457927.db2.gz YNGOLMZJCJUUPR-UHFFFAOYSA-N 1 0 437.544 3.897 50 0 IHAARO C[NH+]1CCN(CCN(Cc2ccc(Br)cc2F)C(=O)CC2CCCC2)CC1 ZINC000072280908 556462435 /nfs/dbraw/zinc/46/24/35/556462435.db2.gz XIRZILJHHYHJGM-UHFFFAOYSA-N 1 0 440.401 3.745 50 0 IHAARO CCOC(=O)C1=C(C[N@H+](C)C2CCCCC2)NC(=O)N[C@@H]1c1ccccc1OC(F)F ZINC000028892013 556463040 /nfs/dbraw/zinc/46/30/40/556463040.db2.gz KJSYLALSOOWMQO-LJQANCHMSA-N 1 0 437.487 3.724 50 0 IHAARO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@H+](Cc2ccc(OCCO)cc2)C1 ZINC000014972567 556467447 /nfs/dbraw/zinc/46/74/47/556467447.db2.gz OEDYPEXTRZXBNK-VWLOTQADSA-N 1 0 427.541 3.672 50 0 IHAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000013118112 556471439 /nfs/dbraw/zinc/47/14/39/556471439.db2.gz DKKAGNPNRPVSJC-QFIPXVFZSA-N 1 0 426.520 3.918 50 0 IHAARO CC(C)C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1cccc(F)c1)CC2 ZINC000014987277 556473226 /nfs/dbraw/zinc/47/32/26/556473226.db2.gz OBZMPLULMLOMHK-IBGZPJMESA-N 1 0 425.508 3.586 50 0 IHAARO C[N@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@@H]1CCc2ccccc21 ZINC000029488119 556476495 /nfs/dbraw/zinc/47/64/95/556476495.db2.gz YMAVGZSPXDAMKI-HSZRJFAPSA-N 1 0 441.597 3.809 50 0 IHAARO O=C(c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000014995769 556477564 /nfs/dbraw/zinc/47/75/64/556477564.db2.gz QOCZWEBYXZMENA-UHFFFAOYSA-N 1 0 432.528 3.500 50 0 IHAARO Cc1cc(O[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2c(C)cc(=O)oc2c1 ZINC000013555477 556516174 /nfs/dbraw/zinc/51/61/74/556516174.db2.gz FLTGTKMCAXLARS-IBGZPJMESA-N 1 0 434.536 3.958 50 0 IHAARO COc1ccc(C)cc1NC(=O)[C@H]([NH2+]C[C@H](C(C)C)N1CCOCC1)c1ccccc1 ZINC000032900796 556535089 /nfs/dbraw/zinc/53/50/89/556535089.db2.gz PVXBBZABLPWDGG-ISKFKSNPSA-N 1 0 425.573 3.630 50 0 IHAARO COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(N3CCCCC3)[nH+]c(C)n2)CC1 ZINC000033326828 556562044 /nfs/dbraw/zinc/56/20/44/556562044.db2.gz BNRZNCUNWNENCJ-UHFFFAOYSA-N 1 0 444.967 3.791 50 0 IHAARO O[C@H](COc1ccc(F)cc1)C[NH+](Cc1ccccc1)C[C@H](O)COc1ccc(F)cc1 ZINC000002075166 556574775 /nfs/dbraw/zinc/57/47/75/556574775.db2.gz WXLXXHNBLHFYHB-GOTSBHOMSA-N 1 0 443.490 3.647 50 0 IHAARO C[NH+](C)[C@@H](CNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21)c1cccc(F)c1 ZINC000032983596 556603479 /nfs/dbraw/zinc/60/34/79/556603479.db2.gz VFIVIOUZLVSOMF-QHCPKHFHSA-N 1 0 444.510 3.617 50 0 IHAARO Cc1ccc(-n2cc(C3=CCN(CC(=O)N4CC[NH+](C5CCCCC5)CC4)CC3)cn2)cc1 ZINC000032995885 556611383 /nfs/dbraw/zinc/61/13/83/556611383.db2.gz UZGLWSBPUHATGA-UHFFFAOYSA-N 1 0 447.627 3.747 50 0 IHAARO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@@H](C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000005067076 556629904 /nfs/dbraw/zinc/62/99/04/556629904.db2.gz ZEXLUBLZRNFVBG-QLFBSQMISA-N 1 0 431.533 3.667 50 0 IHAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000409414240 556639602 /nfs/dbraw/zinc/63/96/02/556639602.db2.gz JGFMHTXBQBOXOM-FCHUYYIVSA-N 1 0 432.605 3.766 50 0 biogenic IHAARO Cc1cc(C)cc(OCCc2c(C)nc(N3CC[NH+](Cc4ccccc4)CC3)[nH]c2=O)c1 ZINC000016957354 556650704 /nfs/dbraw/zinc/65/07/04/556650704.db2.gz NFJZXVUZDOUCQA-UHFFFAOYSA-N 1 0 432.568 3.639 50 0 IHAARO Cc1cc2nc(C)c(=O)n(Cc3ccc(C(=O)NCCC[NH+]4CCCC4)cc3)c2cc1C ZINC000033006083 556655216 /nfs/dbraw/zinc/65/52/16/556655216.db2.gz AIKUMGHLLXRIAB-UHFFFAOYSA-N 1 0 432.568 3.586 50 0 IHAARO O=C(CCCn1c(=O)c2cccn2c2ccc(F)cc21)NCCC[NH+]1CCCCCC1 ZINC000033031748 556711265 /nfs/dbraw/zinc/71/12/65/556711265.db2.gz LWLQYFCYACRMGP-UHFFFAOYSA-N 1 0 426.536 3.556 50 0 IHAARO O=C(CC[C@@H]1CCC[N@H+](Cc2cccc3nonc32)C1)N1CCN(Cc2ccccc2)CC1 ZINC000019220790 556715133 /nfs/dbraw/zinc/71/51/33/556715133.db2.gz GVOUYCIGQFWZQD-QFIPXVFZSA-N 1 0 447.583 3.559 50 0 IHAARO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)CCCc3ccc(F)cc3)C2)CC1 ZINC000055384173 556740813 /nfs/dbraw/zinc/74/08/13/556740813.db2.gz KMRPCXWRPVVPOU-HSZRJFAPSA-N 1 0 439.575 3.970 50 0 IHAARO CCOC(=O)c1c2cc(OC)c(Br)cc2n(C)c1CNCC[NH+](CC)CC ZINC000019367081 556746402 /nfs/dbraw/zinc/74/64/02/556746402.db2.gz MODPIKSCMXTCPZ-UHFFFAOYSA-N 1 0 440.382 3.558 50 0 IHAARO CC[NH+](CC)CCCn1c2c(c(SCC(=O)Nc3cccc(C)c3)nc1=O)CCC2 ZINC000005254330 556747293 /nfs/dbraw/zinc/74/72/93/556747293.db2.gz NAANMIMGWIFMJY-UHFFFAOYSA-N 1 0 428.602 3.503 50 0 IHAARO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@@H](C)N1CC[NH+](C2CCCCC2)CC1 ZINC000019372536 556749124 /nfs/dbraw/zinc/74/91/24/556749124.db2.gz GCBHFBYAXBDXFB-OAHLLOKOSA-N 1 0 446.979 3.885 50 0 IHAARO C[NH+](C)CCN(Cc1ccccc1F)C(=O)NCCc1ccc(Br)s1 ZINC000058166500 556766744 /nfs/dbraw/zinc/76/67/44/556766744.db2.gz RRDYZGPMCVOLJM-UHFFFAOYSA-N 1 0 428.371 3.966 50 0 IHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)Cn2cccc(C(F)(F)F)c2=O)C1 ZINC000059060945 556794529 /nfs/dbraw/zinc/79/45/29/556794529.db2.gz CUIWQWITUNKHSS-CALCHBBNSA-N 1 0 435.490 3.661 50 0 IHAARO COc1ccccc1[C@H](CNC(=O)CCCc1nc2ccccc2c(=O)[nH]1)[NH+]1CCCCC1 ZINC000059782459 556804447 /nfs/dbraw/zinc/80/44/47/556804447.db2.gz SLHFEZPQAXITRQ-QFIPXVFZSA-N 1 0 448.567 3.598 50 0 IHAARO O=C(CCc1nnc(C(=O)Nc2ccccc2)s1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000033061606 556817265 /nfs/dbraw/zinc/81/72/65/556817265.db2.gz ANXWEMNHOVYPTQ-UHFFFAOYSA-N 1 0 449.580 3.504 50 0 IHAARO COc1ccc(NC(=O)N2CCN(c3ccc(Nc4cc[nH+]cc4)nn3)CC2)cc1Cl ZINC000065365543 556835844 /nfs/dbraw/zinc/83/58/44/556835844.db2.gz PMSSHPDDZJGWAJ-UHFFFAOYSA-N 1 0 439.907 3.631 50 0 IHAARO COc1cc(NC(=O)CN2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c(OC)cc1Cl ZINC000019646780 556840753 /nfs/dbraw/zinc/84/07/53/556840753.db2.gz AGEWAOMEBVXJOX-UHFFFAOYSA-N 1 0 448.007 3.882 50 0 IHAARO CCc1cc2c(ncnc2N2CCC(C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)CC2)s1 ZINC000033078237 556853307 /nfs/dbraw/zinc/85/33/07/556853307.db2.gz FUVFHSOAIIIIMM-KRWDZBQOSA-N 1 0 429.634 3.708 50 0 IHAARO CC[NH+](CC)CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(OC)cc1)S2 ZINC000004668456 556862822 /nfs/dbraw/zinc/86/28/22/556862822.db2.gz ZUVJBJCDKOJVGH-KGENOOAVSA-N 1 0 425.554 3.852 50 0 IHAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000033131370 556871978 /nfs/dbraw/zinc/87/19/78/556871978.db2.gz NIDFICOJYVYZAZ-QGZVFWFLSA-N 1 0 442.025 3.509 50 0 IHAARO Cn1cc(CC[N@H+](C)Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)cn1 ZINC000019743746 556888606 /nfs/dbraw/zinc/88/86/06/556888606.db2.gz LECABRZDZJXXPK-UHFFFAOYSA-N 1 0 429.524 3.735 50 0 IHAARO CC[NH+]1CCN(CCNC(=O)c2cccc(Nc3cc(-c4ccc(C)cc4)ncn3)c2)CC1 ZINC000033261037 556898516 /nfs/dbraw/zinc/89/85/16/556898516.db2.gz CRGFBXMBJSHUGP-UHFFFAOYSA-N 1 0 444.583 3.563 50 0 IHAARO COCc1cc(CN2CC[N@H+](Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)ccc1OC ZINC000019774991 556913424 /nfs/dbraw/zinc/91/34/24/556913424.db2.gz HMYZHRBEPUHQAK-DEOSSOPVSA-N 1 0 442.600 3.536 50 0 IHAARO COc1ccc(-c2nn(CN3CC[NH+](Cc4ccccc4)CC3)c(=S)o2)cc1OC ZINC000019815851 556919379 /nfs/dbraw/zinc/91/93/79/556919379.db2.gz IVVDVBHGVUJJEH-UHFFFAOYSA-N 1 0 426.542 3.665 50 0 IHAARO O[C@H](COCc1ccco1)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000036146651 556993924 /nfs/dbraw/zinc/99/39/24/556993924.db2.gz WDTGGJSRMKQODF-RBBKRZOGSA-N 1 0 438.499 3.992 50 0 IHAARO CC[NH+]1CCN([C@H](c2ccc(OC)cc2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1 ZINC000023086383 556997336 /nfs/dbraw/zinc/99/73/36/556997336.db2.gz XOQHRTVLLQBCGX-AREMUKBSSA-N 1 0 447.579 3.646 50 0 IHAARO O=C(NCC1CC[NH+](Cc2cccs2)CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000023127532 557011826 /nfs/dbraw/zinc/01/18/26/557011826.db2.gz OWVPAZCODCRQHP-UHFFFAOYSA-N 1 0 441.475 3.614 50 0 IHAARO O=C(NCC1CC[NH+](Cc2cccs2)CC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000023127531 557011855 /nfs/dbraw/zinc/01/18/55/557011855.db2.gz XEUHFXQDQKCCGD-UHFFFAOYSA-N 1 0 425.476 3.734 50 0 IHAARO O=C(CN1CC[NH+](CCc2ccccc2)CC1)Nc1ccc(Br)cc1Cl ZINC000022930067 557049705 /nfs/dbraw/zinc/04/97/05/557049705.db2.gz OTDDFBREDCCTNS-UHFFFAOYSA-N 1 0 436.781 3.901 50 0 IHAARO CC[NH+](CC)CCNCc1ccc(Br)cc1OCC(=O)NCc1ccccc1 ZINC000022930252 557049794 /nfs/dbraw/zinc/04/97/94/557049794.db2.gz OMGSZXGZGMREDC-UHFFFAOYSA-N 1 0 448.405 3.576 50 0 IHAARO Cc1nn2c(nc(N3CC[NH+](CCCOCC(F)(F)F)CC3)c3ccccc32)c1Cl ZINC000048309295 557059492 /nfs/dbraw/zinc/05/94/92/557059492.db2.gz XQRPTYCYDLQOLM-UHFFFAOYSA-N 1 0 441.885 3.935 50 0 IHAARO CCOC(=O)[C@]1(CCc2ccccc2)CCC[N@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000023338726 557085127 /nfs/dbraw/zinc/08/51/27/557085127.db2.gz OTJOORZNUFUIDI-DEOSSOPVSA-N 1 0 443.613 3.758 50 0 IHAARO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccccc1-c1nc(-c2cccc(F)c2)no1 ZINC000033307193 557086417 /nfs/dbraw/zinc/08/64/17/557086417.db2.gz MPQVCICHDHRVRZ-MRXNPFEDSA-N 1 0 444.532 3.695 50 0 IHAARO Cc1nc2c(c(=O)n1CC(=O)Nc1ccc(F)c(Cl)c1)C[N@H+](Cc1ccccc1)CC2 ZINC000049400791 557096307 /nfs/dbraw/zinc/09/63/07/557096307.db2.gz OJTHIFOEPXUYBS-UHFFFAOYSA-N 1 0 440.906 3.541 50 0 IHAARO Cc1nc2c(c(=O)n1CC(=O)NCc1ccc(C(C)C)cc1)C[N@H+](Cc1ccccc1)CC2 ZINC000049400871 557096578 /nfs/dbraw/zinc/09/65/78/557096578.db2.gz GFDSYHWRFOPKLT-UHFFFAOYSA-N 1 0 444.579 3.550 50 0 IHAARO CC1(C)CC(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CC(C)(C)[NH2+]1 ZINC000011422685 557146145 /nfs/dbraw/zinc/14/61/45/557146145.db2.gz BWSHNHWDVKAWFU-UHFFFAOYSA-N 1 0 433.549 3.666 50 0 IHAARO COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)c1 ZINC000024445609 557146925 /nfs/dbraw/zinc/14/69/25/557146925.db2.gz ZDOFXAZJTHMWHJ-UHFFFAOYSA-N 1 0 438.549 3.680 50 0 IHAARO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000011603839 557207990 /nfs/dbraw/zinc/20/79/90/557207990.db2.gz ISIJHDCMJBJFQX-HSZRJFAPSA-N 1 0 433.531 3.990 50 0 IHAARO COc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CC[NH+](C)C)c1OC ZINC000011614661 557211112 /nfs/dbraw/zinc/21/11/12/557211112.db2.gz DNPAJIITEWMKKT-IBGZPJMESA-N 1 0 442.899 3.570 50 0 IHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000027335733 557260566 /nfs/dbraw/zinc/26/05/66/557260566.db2.gz PAOHINXOAMFVOV-HXUWFJFHSA-N 1 0 425.916 3.710 50 0 IHAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](CCSC)NC(=O)C1CCC(C)CC1 ZINC000004827263 557314982 /nfs/dbraw/zinc/31/49/82/557314982.db2.gz JGICMXVBUHVFAV-TZWRJOPASA-N 1 0 425.683 3.821 50 0 IHAARO CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000247859979 557364695 /nfs/dbraw/zinc/36/46/95/557364695.db2.gz FPNPKKNUBZDJTB-PEKRRXIPSA-N 1 0 449.938 3.642 50 0 IHAARO COc1ccc(CN2C(=O)c3ccccc3[C@@H]2C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000103234828 557427936 /nfs/dbraw/zinc/42/79/36/557427936.db2.gz IOCWLLOYZJKDJP-ZYLNGJIFSA-N 1 0 449.595 3.877 50 0 IHAARO Cc1oc(-c2ccccc2F)nc1C[S@@](=O)CC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000104138308 557451415 /nfs/dbraw/zinc/45/14/15/557451415.db2.gz DZLBCKZQEUSZIH-VTGBYBNISA-N 1 0 449.592 3.522 50 0 IHAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000105061282 557475659 /nfs/dbraw/zinc/47/56/59/557475659.db2.gz QYKQPLCFEQLYNZ-XXBNENTESA-N 1 0 439.625 3.719 50 0 IHAARO CCOc1c(Cl)cc(C(=O)N2C[C@H](CC)[N@H+](CC(C)(C)O)C[C@@H]2CC)cc1OC ZINC000225398455 557718540 /nfs/dbraw/zinc/71/85/40/557718540.db2.gz HHMJEINRTCKCGO-IRXDYDNUSA-N 1 0 426.985 3.833 50 0 IHAARO CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000003211579 562932832 /nfs/dbraw/zinc/93/28/32/562932832.db2.gz WXCOWWSQUYQFTG-LAUBAEHRSA-N 1 0 449.642 3.734 50 0 IHAARO Cc1oc(-c2ccc(C)cc2)nc1C[S@@](=O)CC(=O)NCC[NH+](CC(C)C)CC(C)C ZINC000004035410 562941115 /nfs/dbraw/zinc/94/11/15/562941115.db2.gz YAQVZKXUXBRCQA-HKBQPEDESA-N 1 0 447.645 3.937 50 0 IHAARO CCCn1c2ccccc2c2cnn(CC(=O)NCCC[N@H+]3[C@H](C)CCC[C@@H]3C)c(=O)c21 ZINC000009153432 562967891 /nfs/dbraw/zinc/96/78/91/562967891.db2.gz NXGXAXBRCLUEFB-KDURUIRLSA-N 1 0 437.588 3.530 50 0 IHAARO CC(C)NC(=O)C1CC[NH+](C2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)CC1 ZINC000012440641 562982071 /nfs/dbraw/zinc/98/20/71/562982071.db2.gz PXERANPHYIPNIT-UHFFFAOYSA-N 1 0 431.646 3.858 50 0 IHAARO OCC[C@@H]1CN(Cc2ccc(Oc3ncccn3)cc2)CC[N@@H+]1CCCc1ccccc1 ZINC000023359002 568613349 /nfs/dbraw/zinc/61/33/49/568613349.db2.gz MHSVUFCHHQPMTI-XMMPIXPASA-N 1 0 432.568 3.770 50 0 IHAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000025384155 568655778 /nfs/dbraw/zinc/65/57/78/568655778.db2.gz CZWNMUFNCXVQNO-HXUWFJFHSA-N 1 0 447.551 3.832 50 0 IHAARO CC1(C)CC(C)(OC(=O)C(=O)OC2(C)CC(C)(C)[N+](=O)C(C)(C)C2)CC(C)(C)N1O ZINC000526065432 568741904 /nfs/dbraw/zinc/74/19/04/568741904.db2.gz XYOCNWNXDWOZKJ-UHFFFAOYSA-N 1 0 427.562 3.762 50 0 IHAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)C(=O)NCCC2=CCCCC2)CC1 ZINC000043942553 568743753 /nfs/dbraw/zinc/74/37/53/568743753.db2.gz PRPUPZKQTYRIHA-UHFFFAOYSA-N 1 0 429.630 3.743 50 0 IHAARO CC(C)c1c(C(=O)NCC(C)(C)C[NH+](C)C)cnn1-c1nccc(-c2cccs2)n1 ZINC000299788532 568757673 /nfs/dbraw/zinc/75/76/73/568757673.db2.gz QPYKBWPHZWJGLM-UHFFFAOYSA-N 1 0 426.590 3.832 50 0 IHAARO C[C@@]1(C(=O)NC2CCCC2)Cn2c3ccsc3cc2C(=O)N1CC[NH+]1CCCCCC1 ZINC000015672707 568803154 /nfs/dbraw/zinc/80/31/54/568803154.db2.gz JKQNGXCUWDGQAG-DEOSSOPVSA-N 1 0 442.629 3.852 50 0 IHAARO C[C@]1(C(=O)NC2CCCCC2)Cn2c3ccoc3cc2C(=O)N1CC[NH+]1CCCCCC1 ZINC000015675397 568803672 /nfs/dbraw/zinc/80/36/72/568803672.db2.gz JQFFSLZZXLVUCC-RUZDIDTESA-N 1 0 440.588 3.774 50 0 IHAARO O=C(NCCCN1CCC([NH+]2CCCCC2)CC1)c1noc2c1CCc1sccc1-2 ZINC000015733278 568815680 /nfs/dbraw/zinc/81/56/80/568815680.db2.gz RKYRKIPKAPLLJK-UHFFFAOYSA-N 1 0 428.602 3.572 50 0 IHAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3[nH]nc4c3CCc3ccccc3-4)CC2)c1 ZINC000015772835 568823086 /nfs/dbraw/zinc/82/30/86/568823086.db2.gz CRFHEUVTMUCXNK-UHFFFAOYSA-N 1 0 443.595 3.734 50 0 IHAARO COc1ccc(NC(=O)[C@@H]2C[C@@H](CCSC)[NH2+][C@@]23C(=O)Nc2c3cc(C)cc2C)cc1 ZINC000015972191 568861363 /nfs/dbraw/zinc/86/13/63/568861363.db2.gz ZYNUTHFIZQWYSX-VWQFJMCTSA-N 1 0 439.581 3.829 50 0 IHAARO COc1ccc([C@@H](CNC(=S)NCc2ccc3c(c2)OCO3)[NH+]2CCCCC2)cc1 ZINC000006336567 568893218 /nfs/dbraw/zinc/89/32/18/568893218.db2.gz LKJFGKBWINVKLK-HXUWFJFHSA-N 1 0 427.570 3.615 50 0 IHAARO Cn1c(-c2ccccc2)cnc1NC(=O)CCCC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000006444720 568907308 /nfs/dbraw/zinc/90/73/08/568907308.db2.gz PBMHBLFSAYOFHT-UHFFFAOYSA-N 1 0 447.583 3.786 50 0 IHAARO C[N@@H+]1CC[C@H]2CCN(c3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c43)[C@H]2C1 ZINC000241588189 568912304 /nfs/dbraw/zinc/91/23/04/568912304.db2.gz PAONISKTPOCKSH-FPOVZHCZSA-N 1 0 449.624 3.721 50 0 IHAARO CC[C@H](C(=O)NCCC[N@H+](C)C1CCCCC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787533 568956227 /nfs/dbraw/zinc/95/62/27/568956227.db2.gz VUVDBYRJPNUBRY-OAQYLSRUSA-N 1 0 437.588 3.610 50 0 IHAARO COc1cccc(C[N@H+]2CC=C(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)c1 ZINC000064817998 568965084 /nfs/dbraw/zinc/96/50/84/568965084.db2.gz XKYYJEHYYZSNKA-UHFFFAOYSA-N 1 0 425.960 3.830 50 0 IHAARO CC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)CC1CC1 ZINC000036309081 568995908 /nfs/dbraw/zinc/99/59/08/568995908.db2.gz LHBOCAIWZLPEJU-UGKGYDQZSA-N 1 0 428.598 3.736 50 0 IHAARO Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@@H](C)O)C2CC2)c(C)c1 ZINC000036309394 568995923 /nfs/dbraw/zinc/99/59/23/568995923.db2.gz PEBKOSGAWPWCHE-NQIIRXRSSA-N 1 0 428.598 3.715 50 0 IHAARO CCc1nc(C)nc(N2CC[NH+](C[C@H](O)Cc3ccccc3)CC2)c1Cc1cccc(F)c1 ZINC000036340702 569078917 /nfs/dbraw/zinc/07/89/17/569078917.db2.gz KFIGIPRTKUBFEX-XMMPIXPASA-N 1 0 448.586 3.803 50 0 IHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2cccc(OC)c2)CC1 ZINC000036345677 569080872 /nfs/dbraw/zinc/08/08/72/569080872.db2.gz BXNNHFZADKCKPV-VWLOTQADSA-N 1 0 434.584 3.627 50 0 IHAARO CC[N@H+](CCNC(=O)c1ccc(-c2ccc(N3CCCC3)nn2)cc1)Cc1ccccc1 ZINC000064989151 569083010 /nfs/dbraw/zinc/08/30/10/569083010.db2.gz ACCSQDPLQOYZRF-UHFFFAOYSA-N 1 0 429.568 3.996 50 0 IHAARO Cc1nc(-c2ccccc2)sc1C(=O)N1CCC(CC(=O)NCC[NH+]2CCCC2)CC1 ZINC000065006709 569087486 /nfs/dbraw/zinc/08/74/86/569087486.db2.gz FDMYJKKSPZYXJJ-UHFFFAOYSA-N 1 0 440.613 3.573 50 0 IHAARO CCOC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000036437924 569109383 /nfs/dbraw/zinc/10/93/83/569109383.db2.gz KOERXQFXIBCHEW-UNMCSNQZSA-N 1 0 441.524 3.601 50 0 IHAARO CCc1nc2c(c(=O)n1CC(=O)Nc1cccc(Cl)c1)C[N@H+](Cc1ccccc1)CC2 ZINC000065153534 569112011 /nfs/dbraw/zinc/11/20/11/569112011.db2.gz COOZBDUJEJULRZ-UHFFFAOYSA-N 1 0 436.943 3.656 50 0 IHAARO CCc1nc2c(c(=O)n1CC(=O)Nc1c(C)cccc1C)C[N@H+](Cc1ccccc1)CC2 ZINC000065153540 569112107 /nfs/dbraw/zinc/11/21/07/569112107.db2.gz BGUXNAVORTVHNB-UHFFFAOYSA-N 1 0 430.552 3.620 50 0 IHAARO Cc1cc(-c2nnc(-c3ccc(F)cc3)o2)c(C)n1CC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000065194985 569115288 /nfs/dbraw/zinc/11/52/88/569115288.db2.gz WBDOIXWMNFAFQN-UHFFFAOYSA-N 1 0 439.535 3.761 50 0 IHAARO O=S(=O)(c1cc(-c2nnc(C3CCCC3)o2)co1)N1CCC([NH+]2CCCCC2)CC1 ZINC000065246707 569121971 /nfs/dbraw/zinc/12/19/71/569121971.db2.gz NXLVYMOKHKGYKJ-UHFFFAOYSA-N 1 0 434.562 3.626 50 0 IHAARO O=C(c1cc2c(s1)CC[C@@H](C(=O)N1CC[NH+](C3CCCCC3)CC1)C2)N1CCCCC1 ZINC000065272981 569129270 /nfs/dbraw/zinc/12/92/70/569129270.db2.gz GBANBXWBDGNVQK-LJQANCHMSA-N 1 0 443.657 3.956 50 0 IHAARO COc1cc([C@H](C)NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)ccc1OCCO ZINC000065586131 569139962 /nfs/dbraw/zinc/13/99/62/569139962.db2.gz RYRVBDCDHASRPB-IBGZPJMESA-N 1 0 441.572 3.977 50 0 IHAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)[nH+]1 ZINC000017012266 569170505 /nfs/dbraw/zinc/17/05/05/569170505.db2.gz QFVDNOUTRLIBOC-UHFFFAOYSA-N 1 0 444.377 3.500 50 0 IHAARO COc1ccccc1-c1nc(NCC[NH+](C)C)nc2nn(-c3ccc(Cl)cc3)c(N)c21 ZINC000037358106 569175895 /nfs/dbraw/zinc/17/58/95/569175895.db2.gz LLKAXSFHQHBODE-UHFFFAOYSA-N 1 0 437.935 3.700 50 0 IHAARO Cc1nc(CN2CCC([NH+]3CCN(c4ccc(C(F)(F)F)cn4)CC3)CC2)cs1 ZINC000252492708 569187798 /nfs/dbraw/zinc/18/77/98/569187798.db2.gz MTLRMYCVORKURB-UHFFFAOYSA-N 1 0 425.524 3.652 50 0 IHAARO CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)cc1OCC ZINC000002431286 569303274 /nfs/dbraw/zinc/30/32/74/569303274.db2.gz KGIWAVQQZHESFF-JOCHJYFZSA-N 1 0 436.508 3.697 50 0 IHAARO CC[N@H+](CCC1CCN(C(=O)[C@H](c2ccccc2F)N2CCOCC2)CC1)CC1CC1 ZINC000095458124 569369035 /nfs/dbraw/zinc/36/90/35/569369035.db2.gz NXHKYOYSNOWUOE-DEOSSOPVSA-N 1 0 431.596 3.560 50 0 IHAARO C[C@@]1(COC(=O)C2CCN(C(=O)N3CCCC3)CC2)CCCC[N@@H+]1Cc1ccccc1 ZINC000095469303 569371546 /nfs/dbraw/zinc/37/15/46/569371546.db2.gz BEGDECRVIJSMPU-VWLOTQADSA-N 1 0 427.589 3.902 50 0 IHAARO CC[NH+](CC)CCN(C(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1cccc(C(F)(F)F)c1 ZINC000095986346 569378008 /nfs/dbraw/zinc/37/80/08/569378008.db2.gz MKHSTPMTHOAANS-UHFFFAOYSA-N 1 0 447.457 3.920 50 0 IHAARO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CC(=O)Nc1ccccc1C(N)=O ZINC000095995953 569378697 /nfs/dbraw/zinc/37/86/97/569378697.db2.gz BFLSPJCRCZULNB-ADLMAVQZSA-N 1 0 434.359 3.559 50 0 IHAARO CC(C)([C@@H](NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000096011856 569379944 /nfs/dbraw/zinc/37/99/44/569379944.db2.gz BWYSOYLODGAVTL-NQIIRXRSSA-N 1 0 433.543 3.645 50 0 IHAARO O=C(NCc1nn(CC[NH+]2CCCC2)c(=O)c2ccccc12)c1cccc2ccccc21 ZINC000096024219 569380553 /nfs/dbraw/zinc/38/05/53/569380553.db2.gz CHCAGEBIVSNNDF-UHFFFAOYSA-N 1 0 426.520 3.576 50 0 IHAARO Cc1cc(OCC(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)c2c(c1)oc(=O)c1c2CCCC1 ZINC000096343557 569396871 /nfs/dbraw/zinc/39/68/71/569396871.db2.gz QUWYZSAOZTZYLN-WIYYLYMNSA-N 1 0 438.568 3.740 50 0 IHAARO COc1ccc2c(c1)CN(C(=O)Nc1ccn(CC[NH+](C)C)n1)[C@@H](C1CCCCC1)C2 ZINC000097164717 569403264 /nfs/dbraw/zinc/40/32/64/569403264.db2.gz YCJBFJWJJHYEOV-JOCHJYFZSA-N 1 0 425.577 3.992 50 0 IHAARO C[NH+](C)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1ccccc1 ZINC000002890458 569424459 /nfs/dbraw/zinc/42/44/59/569424459.db2.gz DFBMNDNOWRVTLC-GOSISDBHSA-N 1 0 427.298 3.662 50 0 IHAARO CCC[NH+](CCC)CCCNC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2ccccc21 ZINC000002944007 569426906 /nfs/dbraw/zinc/42/69/06/569426906.db2.gz JXIONHTVYOEDEH-UHFFFAOYSA-N 1 0 436.556 3.636 50 0 IHAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(-n2cncn2)cc1 ZINC000057327293 569431110 /nfs/dbraw/zinc/43/11/10/569431110.db2.gz DGRVZYBSXDISDO-UHFFFAOYSA-N 1 0 438.535 3.842 50 0 IHAARO Cc1oc(-c2ccc(C)cc2)nc1C[S@](=O)CC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000003063624 569439664 /nfs/dbraw/zinc/43/96/64/569439664.db2.gz DCNIALYXVKVPOT-WJOKGBTCSA-N 1 0 443.613 3.684 50 0 IHAARO C[C@@H]1C[N@@H+](CCCNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)C[C@H](C)O1 ZINC000029981458 569439994 /nfs/dbraw/zinc/43/99/94/569439994.db2.gz WGAWOMNNSSMRSY-OYRHEFFESA-N 1 0 432.568 3.828 50 0 IHAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000031338969 569456064 /nfs/dbraw/zinc/45/60/64/569456064.db2.gz XFGAAYKMSNYRQN-XMMPIXPASA-N 1 0 441.575 3.867 50 0 IHAARO CC1CC[NH+]([C@H](CNC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)c2cccs2)CC1 ZINC000031487277 569456581 /nfs/dbraw/zinc/45/65/81/569456581.db2.gz RVINQOYUAJDLSW-DLBGWLJESA-N 1 0 443.657 3.970 50 0 IHAARO COc1cc2oc(=O)c(CC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)c(C)c2cc1Cl ZINC000229704610 569461400 /nfs/dbraw/zinc/46/14/00/569461400.db2.gz PMNRCGAXPRATRG-BEFAXECRSA-N 1 0 432.948 3.687 50 0 IHAARO Cc1cc(=O)c(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)nn1-c1ccccc1F ZINC000008313192 569462556 /nfs/dbraw/zinc/46/25/56/569462556.db2.gz SMFCWWPHMPIZRI-UHFFFAOYSA-N 1 0 426.536 3.599 50 0 IHAARO Cc1ccccc1[C@H](CC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)NC(N)=O ZINC000040069612 569485397 /nfs/dbraw/zinc/48/53/97/569485397.db2.gz DJXAUJSFZIYWGJ-VQTJNVASSA-N 1 0 428.602 3.745 50 0 IHAARO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCN(c2ccccc2OC)CC1 ZINC000040104524 569488188 /nfs/dbraw/zinc/48/81/88/569488188.db2.gz CGBCVZZQSQDJHM-UHFFFAOYSA-N 1 0 426.561 3.770 50 0 IHAARO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ccsc1 ZINC000040120905 569489479 /nfs/dbraw/zinc/48/94/79/569489479.db2.gz PATDIKZLVLUMPJ-AEFFLSMTSA-N 1 0 439.503 3.535 50 0 IHAARO COc1ccc([C@@H](CNC(=O)c2nc(N3CCCC3)ncc2Cl)[NH+]2CCCCC2)cc1 ZINC000040140857 569491618 /nfs/dbraw/zinc/49/16/18/569491618.db2.gz BSSCDHQPSUIFSX-HXUWFJFHSA-N 1 0 443.979 3.696 50 0 IHAARO CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000040149618 569492592 /nfs/dbraw/zinc/49/25/92/569492592.db2.gz LHKGYABLQQHGOD-APWZRJJASA-N 1 0 428.964 3.825 50 0 IHAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](CCSC)NC(=O)C1CCC(C)CC1 ZINC000245296020 569502435 /nfs/dbraw/zinc/50/24/35/569502435.db2.gz JGICMXVBUHVFAV-VFUGHAIPSA-N 1 0 425.683 3.821 50 0 IHAARO C[NH+](C)[C@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cccc(F)c1 ZINC000069366575 569502492 /nfs/dbraw/zinc/50/24/92/569502492.db2.gz DJSOGJVFSWXGMX-HNAYVOBHSA-N 1 0 437.437 3.617 50 0 IHAARO Cc1nn([C@@H](C)C(=O)NCCC[N@@H+]2CCCC[C@H]2C)c(=O)c2c3ccccc3sc21 ZINC000245339228 569504156 /nfs/dbraw/zinc/50/41/56/569504156.db2.gz RIQISVHBIQROHC-WBVHZDCISA-N 1 0 426.586 3.861 50 0 IHAARO COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccc(Cl)cc2)N(CCC[NH+](C)C)C1=O ZINC000009253071 569516163 /nfs/dbraw/zinc/51/61/63/569516163.db2.gz JSVWKJXNDSPDLE-HXUWFJFHSA-N 1 0 426.900 3.952 50 0 IHAARO CCCOc1cccc([C@@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CC[NH+](C)C)c1 ZINC000009328351 569522911 /nfs/dbraw/zinc/52/29/11/569522911.db2.gz OAKIGROXORGDSA-JOCHJYFZSA-N 1 0 436.508 3.697 50 0 IHAARO CC[C@@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000070036667 569529346 /nfs/dbraw/zinc/52/93/46/569529346.db2.gz UOTBZEZQXGAJDS-ZWKOTPCHSA-N 1 0 444.992 3.959 50 0 IHAARO CCn1c(=O)cc(SCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000009610520 569552575 /nfs/dbraw/zinc/55/25/75/569552575.db2.gz SOCDKXXUXLEASB-UHFFFAOYSA-N 1 0 435.593 3.894 50 0 IHAARO COC(=O)c1c2c(sc1NC(=O)c1ccc(C(=O)OC)cc1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000009639689 569555172 /nfs/dbraw/zinc/55/51/72/569555172.db2.gz AUUXAQZDWNWSCS-UHFFFAOYSA-N 1 0 430.526 3.733 50 0 IHAARO CSCC[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000009668185 569557908 /nfs/dbraw/zinc/55/79/08/569557908.db2.gz PHCNLNDAHMZJTB-POOLCLQXSA-N 1 0 445.673 3.831 50 0 IHAARO O=C(Cn1c2ccccc2nc1-c1cscn1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000009731491 569564625 /nfs/dbraw/zinc/56/46/25/569564625.db2.gz MVPSJESEAHAAGU-UHFFFAOYSA-N 1 0 431.565 3.941 50 0 IHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000010030613 569577309 /nfs/dbraw/zinc/57/73/09/569577309.db2.gz OHJQYKSUYUVEEP-ICSRJNTNSA-N 1 0 429.948 3.739 50 0 IHAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C(=O)Nc3ccc4c(c3)OCO4)C2)cc1OC ZINC000039489687 569586883 /nfs/dbraw/zinc/58/68/83/569586883.db2.gz VGFNABJRSOVLHS-LJQANCHMSA-N 1 0 441.528 3.603 50 0 IHAARO CCCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CC[NH+](CC)CC2)cc1 ZINC000004711677 132272983 /nfs/dbraw/zinc/27/29/83/132272983.db2.gz PDUNURBDPWABSY-UHFFFAOYSA-N 1 0 425.529 3.656 50 0 IHAARO COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000006287967 132276914 /nfs/dbraw/zinc/27/69/14/132276914.db2.gz XGVJAKOOVVRIQU-UHFFFAOYSA-N 1 0 434.565 3.727 50 0 IHAARO CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)NCC[NH+]2CCC(Cc3ccccc3)CC2)C1=O ZINC000008812228 132294612 /nfs/dbraw/zinc/29/46/12/132294612.db2.gz YZVGPKSBQOLHHP-DEOSSOPVSA-N 1 0 449.595 3.570 50 0 IHAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNc2ncnc3c2nc2n3CCCC2)CC1 ZINC000009153386 132307050 /nfs/dbraw/zinc/30/70/50/132307050.db2.gz KYLLHVWFZFXFIC-UHFFFAOYSA-N 1 0 439.995 3.749 50 0 IHAARO CC(C)(C)C[NH+]1CCC(Oc2ccc(C(=O)N3CCC[C@H](C(N)=O)C3)cc2Cl)CC1 ZINC000012297149 518663563 /nfs/dbraw/zinc/66/35/63/518663563.db2.gz ASLPPXGOHHVGER-KRWDZBQOSA-N 1 0 435.996 3.567 50 0 IHAARO CC(C)(C)c1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2ccc(F)cc2)cc1 ZINC000035421871 519013091 /nfs/dbraw/zinc/01/30/91/519013091.db2.gz HKNQHEBBDRQRBP-UHFFFAOYSA-N 1 0 425.548 3.588 50 0 IHAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH2+]C2C3CC4CC(C3)CC2C4)CN1C1Cc2ccccc2C1 ZINC000020598906 520532733 /nfs/dbraw/zinc/53/27/33/520532733.db2.gz LNKSVOKYBCMMBL-NITYFSHHSA-N 1 0 435.656 3.879 50 0 IHAARO CCN(Cc1ccccc1OCCO)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012716542 521387101 /nfs/dbraw/zinc/38/71/01/521387101.db2.gz GPASWASNZDZEQE-QHCPKHFHSA-N 1 0 426.601 3.843 50 0 IHAARO CCCn1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)COc3cccc(C)c3)ccc21 ZINC000020677663 521628940 /nfs/dbraw/zinc/62/89/40/521628940.db2.gz ZEBLUWFPMYBOTF-UHFFFAOYSA-N 1 0 435.572 3.520 50 0 IHAARO COC(=O)c1c(NC(=O)C[NH2+]C[C@H](c2ccccc2)N(C)C)sc2c1CCCCC2 ZINC000022031706 521765069 /nfs/dbraw/zinc/76/50/69/521765069.db2.gz GPUBHXOUQPYVLC-GOSISDBHSA-N 1 0 429.586 3.635 50 0 IHAARO COc1cc(-c2n[nH]cc2C[NH+]2CCC(OCc3ccccn3)CC2)cc(OC)c1OC ZINC000012433845 521900417 /nfs/dbraw/zinc/90/04/17/521900417.db2.gz JSGRNWZVZXNDRU-UHFFFAOYSA-N 1 0 438.528 3.679 50 0 IHAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccs1 ZINC000012557135 522022096 /nfs/dbraw/zinc/02/20/96/522022096.db2.gz CGZQEGMGDUGULT-IBGZPJMESA-N 1 0 429.567 3.582 50 0 IHAARO CN(C)c1ncc(C[NH+]2CCC(CCC(=O)N3CCN(c4ccccc4)CC3)CC2)s1 ZINC000012299117 522339830 /nfs/dbraw/zinc/33/98/30/522339830.db2.gz GHMVMOIXBAVHEX-UHFFFAOYSA-N 1 0 441.645 3.550 50 0 IHAARO CN(CC(=O)NC1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1N1CCCCC1 ZINC000012593625 522469232 /nfs/dbraw/zinc/46/92/32/522469232.db2.gz SSWPEQOJLXGFMR-UHFFFAOYSA-N 1 0 434.628 3.890 50 0 IHAARO COc1cc(NC(=O)CC[C@H]2CCC[N@H+](Cc3cccc(OCCO)c3)C2)cc(OC)c1 ZINC000012707167 522656170 /nfs/dbraw/zinc/65/61/70/522656170.db2.gz OCJPDKGCJIEVBI-LJQANCHMSA-N 1 0 442.556 3.706 50 0 IHAARO CN(CCc1ccccn1)C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000012320380 522962262 /nfs/dbraw/zinc/96/22/62/522962262.db2.gz HKRNYYBZKMMDBO-UHFFFAOYSA-N 1 0 430.552 3.835 50 0 IHAARO CN(C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1cc2ncccn2n1 ZINC000012112329 523116031 /nfs/dbraw/zinc/11/60/31/523116031.db2.gz GVMSCWAJDBRHMV-GOSISDBHSA-N 1 0 445.489 3.775 50 0 IHAARO COc1ccc(-c2nc(C(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)cs2)cc1OC ZINC000022609310 523190466 /nfs/dbraw/zinc/19/04/66/523190466.db2.gz QOXFOINKSAHFBQ-GOSISDBHSA-N 1 0 429.517 3.999 50 0 IHAARO CCn1nc(C)c(C[NH+]2CCC(Oc3cc(OC)ccc3C(=O)N3CCCC3)CC2)c1C ZINC000012315901 523640514 /nfs/dbraw/zinc/64/05/14/523640514.db2.gz RNWVMWNGJJQTAQ-UHFFFAOYSA-N 1 0 440.588 3.808 50 0 IHAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)c1cn2cc(C)ccc2n1 ZINC000012300132 523689430 /nfs/dbraw/zinc/68/94/30/523689430.db2.gz ZAMODFZRVMAGAZ-UHFFFAOYSA-N 1 0 438.547 3.783 50 0 IHAARO CCn1ncc(C[N@@H+]2CCC[C@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)c1C ZINC000012455808 523692234 /nfs/dbraw/zinc/69/22/34/523692234.db2.gz SJGKQGVLANVULV-LJQANCHMSA-N 1 0 428.577 3.537 50 0 IHAARO COCCNC(=O)c1ccc(OC2CC[NH+]([C@H](C)Cc3cccnc3)CC2)c(Cl)c1 ZINC000012449101 523925874 /nfs/dbraw/zinc/92/58/74/523925874.db2.gz SLQDFFNSQOHMSQ-QGZVFWFLSA-N 1 0 431.964 3.586 50 0 IHAARO COc1ccc(C[NH+]2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)cc1OC ZINC000012429615 524025628 /nfs/dbraw/zinc/02/56/28/524025628.db2.gz LVISYMQHWKRDQW-UHFFFAOYSA-N 1 0 434.540 3.919 50 0 IHAARO C[NH+](C)CC(C)(C)CNC(=O)c1cnn(-c2nccc(-c3ccccc3F)n2)c1C1CC1 ZINC000012190808 524046204 /nfs/dbraw/zinc/04/62/04/524046204.db2.gz MINXSFYRQYVDBP-UHFFFAOYSA-N 1 0 436.535 3.663 50 0 IHAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3cccc4c3OCO4)C2)c(OC)c1 ZINC000012596510 524048169 /nfs/dbraw/zinc/04/81/69/524048169.db2.gz WFKXOHIQEZSPSB-SFHVURJKSA-N 1 0 440.540 3.741 50 0 IHAARO Cc1cccc(-c2ccc(N3CCC[C@@H](C(=O)NCCC[NH+]4CCC(C)CC4)C3)nn2)c1 ZINC000035398267 524107499 /nfs/dbraw/zinc/10/74/99/524107499.db2.gz YOIRCPFXKHAUHC-HSZRJFAPSA-N 1 0 435.616 3.907 50 0 IHAARO COc1ccc(Cl)cc1C(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000020860689 524199798 /nfs/dbraw/zinc/19/97/98/524199798.db2.gz YSEJPAZSUAVCGF-KRWDZBQOSA-N 1 0 427.932 3.973 50 0 IHAARO Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@@H+](Cc2cccnc2)CC3)c1 ZINC000012097628 524368649 /nfs/dbraw/zinc/36/86/49/524368649.db2.gz UYJXWMFHOROHQH-QHCPKHFHSA-N 1 0 446.599 3.865 50 0 IHAARO COc1ccccc1CCc1nnc(CCC(=O)N2CCC(C[NH+]3CCCCC3)CC2)o1 ZINC000012582566 524424571 /nfs/dbraw/zinc/42/45/71/524424571.db2.gz XKZXADNSFMSDGL-UHFFFAOYSA-N 1 0 440.588 3.521 50 0 IHAARO C[C@H]1CCc2c(sc3nc(CCC(=O)N4CC[NH+](C5CCCCC5)CC4)[nH]c(=O)c23)C1 ZINC000021882434 524437613 /nfs/dbraw/zinc/43/76/13/524437613.db2.gz IQNBQQUZEGHTDK-INIZCTEOSA-N 1 0 442.629 3.519 50 0 IHAARO C[C@H](CNC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)Oc1cccnc1 ZINC000012318314 524464378 /nfs/dbraw/zinc/46/43/78/524464378.db2.gz GAEOEPXFVHFRSB-HXUWFJFHSA-N 1 0 446.551 3.717 50 0 IHAARO Cc1cccc(N2CC[NH+](C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@@H]43)CC2)c1C ZINC000070670130 524558211 /nfs/dbraw/zinc/55/82/11/524558211.db2.gz IYVNGAUMUARQSV-DEHLDAEVSA-N 1 0 438.612 3.710 50 0 IHAARO COc1ccc(NC(=O)NCc2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)c(OC)c1 ZINC000020927334 524569698 /nfs/dbraw/zinc/56/96/98/524569698.db2.gz RQKBTAILWLACJA-UHFFFAOYSA-N 1 0 426.542 3.866 50 0 IHAARO C[C@@H](Cc1ccccn1)[NH+]1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000012308909 524922975 /nfs/dbraw/zinc/92/29/75/524922975.db2.gz ZJPHCDVVXQMDHZ-KRWDZBQOSA-N 1 0 433.512 3.527 50 0 IHAARO C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@@H+](Cc1cc3ccccc3o1)CC2 ZINC000020911276 524939920 /nfs/dbraw/zinc/93/99/20/524939920.db2.gz NDCZFCSYQIBNFF-IBGZPJMESA-N 1 0 443.551 3.893 50 0 IHAARO C[C@@H](Cc1cnccn1)[NH2+]Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21 ZINC000020917161 524941727 /nfs/dbraw/zinc/94/17/27/524941727.db2.gz KFZVXUHBUIBHMQ-KRWDZBQOSA-N 1 0 440.979 3.905 50 0 IHAARO COc1ccc([C@H](CNC(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)[NH+](C)C)cc1 ZINC000021912298 525359828 /nfs/dbraw/zinc/35/98/28/525359828.db2.gz RZMITFYUBPRTKZ-IBGZPJMESA-N 1 0 441.553 3.869 50 0 IHAARO Cc1ccnc(N2CCC[C@H](C(=O)NCC3CC[NH+](Cc4ccc(Cl)cc4)CC3)C2)n1 ZINC000035454314 525667989 /nfs/dbraw/zinc/66/79/89/525667989.db2.gz DSDXGIIUDHCWPP-NRFANRHFSA-N 1 0 442.007 3.683 50 0 IHAARO C[C@@](CNS(=O)(=O)c1ccccc1)(c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022035984 525742151 /nfs/dbraw/zinc/74/21/51/525742151.db2.gz GCQXXVXUSMINJH-AREMUKBSSA-N 1 0 449.620 3.698 50 0 IHAARO CSc1ccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CC[NH+](C)CC2)cc1 ZINC000022698283 526075433 /nfs/dbraw/zinc/07/54/33/526075433.db2.gz QLTRRWWFOBDVED-HSZRJFAPSA-N 1 0 439.581 3.562 50 0 IHAARO C[C@H](C(=O)N[C@H]1CCCc2ccccc21)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000012748792 526118961 /nfs/dbraw/zinc/11/89/61/526118961.db2.gz CTJBXMPRJPAZOQ-VGSWGCGISA-N 1 0 449.551 3.648 50 0 IHAARO O=C(NCC[NH+]1CCCCC1)[C@@H]1CS[C@@H](C2CCCCC2)N1C(=O)c1cccc(F)c1 ZINC000035703451 526308588 /nfs/dbraw/zinc/30/85/88/526308588.db2.gz MBZMDVZBNTXRPQ-URXFXBBRSA-N 1 0 447.620 3.892 50 0 IHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000012786469 526492344 /nfs/dbraw/zinc/49/23/44/526492344.db2.gz VWAAUBLWJBMPOR-DEOSSOPVSA-N 1 0 438.531 3.953 50 0 IHAARO O=C(CCN1Cc2ccccc2C1=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000014955351 526496245 /nfs/dbraw/zinc/49/62/45/526496245.db2.gz HCDLUCZGLMPEMC-AREMUKBSSA-N 1 0 435.543 3.686 50 0 IHAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3cnn(-c4ccc(F)cc4)c3)CC2)O1)c1ccco1 ZINC000012159446 526503194 /nfs/dbraw/zinc/50/31/94/526503194.db2.gz MWCZYGPDCLHHEP-NRFANRHFSA-N 1 0 438.503 3.548 50 0 IHAARO Cc1noc(C)c1COc1ccc(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000012846605 526521590 /nfs/dbraw/zinc/52/15/90/526521590.db2.gz OEVCXJYJCMQVEY-UHFFFAOYSA-N 1 0 441.572 3.564 50 0 IHAARO c1cnc2c(c1)cccc2C[N@H+]1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020913526 526543284 /nfs/dbraw/zinc/54/32/84/526543284.db2.gz ZMPAYUWWKLNPQM-XMMPIXPASA-N 1 0 444.579 3.746 50 0 IHAARO O=C(c1ccc(N2CCC([NH2+]CCCc3ccccc3)CC2)cc1)N1CCC[C@@H](CO)C1 ZINC000012457339 526697174 /nfs/dbraw/zinc/69/71/74/526697174.db2.gz XHJNAOAENJVBFY-HSZRJFAPSA-N 1 0 435.612 3.722 50 0 IHAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000021548891 526767989 /nfs/dbraw/zinc/76/79/89/526767989.db2.gz XPPZCFDHGMOSFI-UHFFFAOYSA-N 1 0 443.547 3.804 50 0 IHAARO Cc1occc1C(=O)N[C@@H](C)c1nnc2n1CC[N@@H+](Cc1ccc(CC(C)C)cc1)CC2 ZINC000012196882 526812493 /nfs/dbraw/zinc/81/24/93/526812493.db2.gz IDCOPNYQLPHMHT-SFHVURJKSA-N 1 0 435.572 3.927 50 0 IHAARO Cc1nc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc(N2CCCC2)[nH+]1 ZINC000021795097 526964994 /nfs/dbraw/zinc/96/49/94/526964994.db2.gz CXVGFIJRMMWBQN-UHFFFAOYSA-N 1 0 434.466 3.758 50 0 IHAARO Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CC[N@H+](CCc2ccccc2)[C@@H](CCO)C1 ZINC000020455920 527528032 /nfs/dbraw/zinc/52/80/32/527528032.db2.gz PTDHVCAMJXFRPV-VWLOTQADSA-N 1 0 436.575 3.740 50 0 IHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000012526036 527530753 /nfs/dbraw/zinc/53/07/53/527530753.db2.gz CFGQMEXQDBQPPY-UHFFFAOYSA-N 1 0 449.576 3.882 50 0 IHAARO Cn1cnnc1[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000020865916 527535507 /nfs/dbraw/zinc/53/55/07/527535507.db2.gz VMBDXLIZKKEXAP-IBGZPJMESA-N 1 0 442.523 3.776 50 0 IHAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1noc2c1CSc1ccccc1-2 ZINC000015674055 527667249 /nfs/dbraw/zinc/66/72/49/527667249.db2.gz TUOJCVBXBYCHDJ-UHFFFAOYSA-N 1 0 434.565 3.889 50 0 IHAARO Cc1cccc(C[NH+]2CCC(NC(=O)c3nccnc3NC(=O)C3CCCCC3)CC2)c1 ZINC000034717020 555866711 /nfs/dbraw/zinc/86/67/11/555866711.db2.gz LHAUVZLYPMJOPR-UHFFFAOYSA-N 1 0 435.572 3.698 50 0 IHAARO Cc1oc(-c2ccc(C)cc2)nc1C[S@@](=O)CC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000004470543 556324388 /nfs/dbraw/zinc/32/43/88/556324388.db2.gz DCNIALYXVKVPOT-HKBQPEDESA-N 1 0 443.613 3.684 50 0 IHAARO O=C(CCc1ccncc1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000011665521 556346044 /nfs/dbraw/zinc/34/60/44/556346044.db2.gz PBNZLJCGJAGAEG-MHZLTWQESA-N 1 0 447.623 3.901 50 0 IHAARO CCn1cc(CNC(=O)c2ccc(OC3CC[NH+](C4CCCC4)CC3)c(OC)c2)cn1 ZINC000011814329 556357525 /nfs/dbraw/zinc/35/75/25/556357525.db2.gz NLLHGLKGPTZDNE-UHFFFAOYSA-N 1 0 426.561 3.627 50 0 IHAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)C[C@@H]2CCC(=O)N2)C2CCCC2)CC1 ZINC000011844183 556367196 /nfs/dbraw/zinc/36/71/96/556367196.db2.gz MDKQCDVUMWNRRF-QHCPKHFHSA-N 1 0 425.617 3.689 50 0 IHAARO O=C(CCc1nnc(CCc2c[nH]c3ccccc23)o1)N1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000011873737 556369887 /nfs/dbraw/zinc/36/98/87/556369887.db2.gz XGQZSOCSKVNIKE-HXUWFJFHSA-N 1 0 449.599 3.993 50 0 IHAARO CCOC(=O)[C@H]1CCCC[N@@H+]1C1CCN(c2ccc(C(=O)NC3CCCC3)cc2)CC1 ZINC000011908915 556374374 /nfs/dbraw/zinc/37/43/74/556374374.db2.gz SCHRHEKRZNRAPT-HSZRJFAPSA-N 1 0 427.589 3.745 50 0 IHAARO COc1ccccc1CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(F)c(OC)c1)CC2 ZINC000011910027 556374647 /nfs/dbraw/zinc/37/46/47/556374647.db2.gz FLQMIICJJLACFJ-FQEVSTJZSA-N 1 0 426.532 3.804 50 0 IHAARO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000014188115 556387066 /nfs/dbraw/zinc/38/70/66/556387066.db2.gz XRMVZGDEMUMNQV-SFHVURJKSA-N 1 0 435.524 3.593 50 0 IHAARO CC(C)C(=O)N[C@H](C)c1nnc2n1CC[N@@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000012030369 556388603 /nfs/dbraw/zinc/38/86/03/556388603.db2.gz DHBFPTMCKFEEIY-GOSISDBHSA-N 1 0 429.568 3.741 50 0 IHAARO CCOc1ccccc1C[NH+]1CCC2(CC[C@@H](CNC(=O)c3csc(C)n3)O2)CC1 ZINC000012042208 556391139 /nfs/dbraw/zinc/39/11/39/556391139.db2.gz RFPANEUOIFKVLZ-IBGZPJMESA-N 1 0 429.586 3.794 50 0 IHAARO COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](C[C@@H]1CC=CCC1)CC2 ZINC000014534619 556422634 /nfs/dbraw/zinc/42/26/34/556422634.db2.gz SSVOIOVJUJNFSZ-OAQYLSRUSA-N 1 0 425.573 3.678 50 0 IHAARO COc1cccc(C[NH+]2CCC3(CC2)C(=O)N(Cc2ccccn2)C(=O)N3CC(C)C)c1 ZINC000014536613 556423765 /nfs/dbraw/zinc/42/37/65/556423765.db2.gz CLQVJTFXYCYNCI-UHFFFAOYSA-N 1 0 436.556 3.545 50 0 IHAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)C2 ZINC000014732368 556437147 /nfs/dbraw/zinc/43/71/47/556437147.db2.gz WGKDPJVUBGPMQC-MRXNPFEDSA-N 1 0 436.478 3.685 50 0 IHAARO CC(C)c1ccc(C[N@H+]2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)cc1 ZINC000014886461 556455576 /nfs/dbraw/zinc/45/55/76/556455576.db2.gz GVLQFJGOWUJDOG-UHFFFAOYSA-N 1 0 435.547 3.571 50 0 IHAARO CCOc1cccc(C[NH+]2CCC(Oc3cc(OC)ccc3C(=O)NCCOC)CC2)c1 ZINC000014958166 556463060 /nfs/dbraw/zinc/46/30/60/556463060.db2.gz RRXVOULRVPMAIZ-UHFFFAOYSA-N 1 0 442.556 3.514 50 0 IHAARO Cc1ccccc1CN1CCC([NH+]2CCC(C(=O)N(C)CC3CCOCC3)CC2)CC1 ZINC000014975784 556468384 /nfs/dbraw/zinc/46/83/84/556468384.db2.gz YUIRPRBJGMQUFT-UHFFFAOYSA-N 1 0 427.633 3.556 50 0 IHAARO Cc1c(C(=O)N2CCC[C@@H](c3ccccc3)C2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000014986820 556472960 /nfs/dbraw/zinc/47/29/60/556472960.db2.gz JPNCPBORFCGYFR-LJQANCHMSA-N 1 0 435.597 3.771 50 0 IHAARO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)Cc3ccc(SC)cc3)C2)CC1 ZINC000015073129 556497315 /nfs/dbraw/zinc/49/73/15/556497315.db2.gz SUOCSXPLHYQSAP-NRFANRHFSA-N 1 0 439.625 3.773 50 0 IHAARO COc1ccc(C(=O)N2CCC3(CC2)Nc2cccnc2[NH+]=C3NC2CCCC2)c(OC)c1 ZINC000065265670 556522922 /nfs/dbraw/zinc/52/29/22/556522922.db2.gz FETKUVCMFPBEDX-UHFFFAOYSA-N 1 0 449.555 3.762 50 0 biogenic IHAARO C[C@@H]1c2cccn2CCN1CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000015417461 556526734 /nfs/dbraw/zinc/52/67/34/556526734.db2.gz RRMLHPCIJWUMFJ-JOCHJYFZSA-N 1 0 443.595 3.826 50 0 IHAARO CC(C)[C@@H](CNc1nc(CN2CCOCC2)nc2sc3c(c21)CC[C@@H](C)C3)[NH+](C)C ZINC000032902994 556541924 /nfs/dbraw/zinc/54/19/24/556541924.db2.gz XKTAKTCJWOTUKI-SJLPKXTDSA-N 1 0 431.650 3.646 50 0 IHAARO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Cc1ccccc1Br ZINC000072304586 556548805 /nfs/dbraw/zinc/54/88/05/556548805.db2.gz HGQUTKXDYWZWHV-UHFFFAOYSA-N 1 0 432.362 3.781 50 0 IHAARO CCC[NH+]1CCN([C@@H](C)CCCN(C(=O)[C@@H]2CCCN(c3nccs3)C2)C2CC2)CC1 ZINC000072305491 556550529 /nfs/dbraw/zinc/55/05/29/556550529.db2.gz NOJYUJDIGHHQLA-LEWJYISDSA-N 1 0 447.693 3.547 50 0 IHAARO CCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000060239172 556579995 /nfs/dbraw/zinc/57/99/95/556579995.db2.gz NYNUUHATFCVKMP-UHFFFAOYSA-N 1 0 443.613 3.599 50 0 IHAARO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000034872029 556585107 /nfs/dbraw/zinc/58/51/07/556585107.db2.gz QYVJZEBCFRMZEI-CVDCTZTESA-N 1 0 443.613 3.591 50 0 IHAARO O=C(NCC[NH+]1CCCCC1)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(Cl)cc1)O2 ZINC000032983529 556602350 /nfs/dbraw/zinc/60/23/50/556602350.db2.gz RZNMDFUPXCJGQQ-KGENOOAVSA-N 1 0 425.916 3.928 50 0 IHAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)COc2cc(C)ccc2C(C)C)c1 ZINC000016487857 556611685 /nfs/dbraw/zinc/61/16/85/556611685.db2.gz TUAPUXWSARXQSP-UHFFFAOYSA-N 1 0 439.556 3.674 50 0 IHAARO COc1cc(C[NH2+]CCCN2CCOCC2)cc(Br)c1OCc1ccccc1 ZINC000016488165 556611929 /nfs/dbraw/zinc/61/19/29/556611929.db2.gz HGHVERPRLQGGQW-UHFFFAOYSA-N 1 0 449.389 3.849 50 0 IHAARO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000071812724 556630172 /nfs/dbraw/zinc/63/01/72/556630172.db2.gz HUEXLCKOCYVOKL-INIZCTEOSA-N 1 0 435.590 3.576 50 0 IHAARO CC[NH+](CC)CCCN[C@@]1(c2ccccc2)c2cccc(Br)c2N(C)C1=O ZINC000044124868 556666148 /nfs/dbraw/zinc/66/61/48/556666148.db2.gz JCSKGYNXANOAAB-QFIPXVFZSA-N 1 0 430.390 3.991 50 0 IHAARO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2F)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856994 556672825 /nfs/dbraw/zinc/67/28/25/556672825.db2.gz TXCANIUBIGTSAX-JOCHJYFZSA-N 1 0 432.561 3.709 50 0 IHAARO Cc1c(C[NH2+][C@H]2CCCN(c3nc4ccccc4s3)C2)c(=O)n(-c2ccccc2)n1C ZINC000055153035 556736210 /nfs/dbraw/zinc/73/62/10/556736210.db2.gz YJUQAVOIBDXEDA-SFHVURJKSA-N 1 0 433.581 3.853 50 0 IHAARO Cc1nc2ccccc2n1CCC(=O)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000055310544 556740147 /nfs/dbraw/zinc/74/01/47/556740147.db2.gz KZKKXIJAPPAMKB-QHCPKHFHSA-N 1 0 431.584 3.548 50 0 IHAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)NCc4ccc(F)cc4)c(C)c32)CC1 ZINC000033048381 556744673 /nfs/dbraw/zinc/74/46/73/556744673.db2.gz JPOWSYRLRDYDHB-UHFFFAOYSA-N 1 0 427.549 3.601 50 0 IHAARO CCC[NH+]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2OC)CC1 ZINC000058156853 556762702 /nfs/dbraw/zinc/76/27/02/556762702.db2.gz FWYGFSVFVYNWRF-UHFFFAOYSA-N 1 0 434.540 3.724 50 0 IHAARO O=C(CSc1ccc(F)c(F)c1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000058156854 556762836 /nfs/dbraw/zinc/76/28/36/556762836.db2.gz GQDZFUUDOBBGDQ-GOSISDBHSA-N 1 0 446.567 3.513 50 0 IHAARO CC[N@@H+]1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3c(C)cc(C)cc3C)c(=O)c2C1 ZINC000062007151 556765386 /nfs/dbraw/zinc/76/53/86/556765386.db2.gz ZWMCRPLJDXLQOA-UHFFFAOYSA-N 1 0 448.542 3.991 50 0 IHAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5cccc(Cl)c5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000061992820 556766933 /nfs/dbraw/zinc/76/69/33/556766933.db2.gz HXHILYRRLVJUGI-MGPYLOASSA-N 1 0 445.003 3.747 50 0 biogenic IHAARO C[NH+](C)CCN(Cc1cccnc1)C(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F ZINC000058198362 556770741 /nfs/dbraw/zinc/77/07/41/556770741.db2.gz GYFAHZKEGPEUOR-UHFFFAOYSA-N 1 0 432.450 3.882 50 0 IHAARO O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000058268949 556777048 /nfs/dbraw/zinc/77/70/48/556777048.db2.gz IJEVGEGVFUQFTQ-UHFFFAOYSA-N 1 0 440.510 3.882 50 0 IHAARO CC[NH+](CC)[C@@H](CNC(=O)CCc1nc2ccccc2c(=O)n1C1CC1)c1ccccc1 ZINC000058989322 556794018 /nfs/dbraw/zinc/79/40/18/556794018.db2.gz WQBOUCGCRVLNJV-QHCPKHFHSA-N 1 0 432.568 3.863 50 0 IHAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)Cn2cccc(C(F)(F)F)c2=O)C1 ZINC000059060946 556794548 /nfs/dbraw/zinc/79/45/48/556794548.db2.gz CUIWQWITUNKHSS-IRXDYDNUSA-N 1 0 435.490 3.661 50 0 IHAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)COc4ccc(OC)cc4)ccc3n2)CC1 ZINC000033084668 556854697 /nfs/dbraw/zinc/85/46/97/556854697.db2.gz FJGFVOKGMRVXCM-UHFFFAOYSA-N 1 0 434.540 3.711 50 0 IHAARO CC[NH+]1CCN([C@@H](c2cccc(F)c2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1 ZINC000023086418 556997398 /nfs/dbraw/zinc/99/73/98/556997398.db2.gz KTYWNIQAODHIJR-VWLOTQADSA-N 1 0 435.543 3.777 50 0 IHAARO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+]([C@H](C)Cn2nc(C)cc2C)CC1 ZINC000020419236 557015110 /nfs/dbraw/zinc/01/51/10/557015110.db2.gz ZGIJMYKYGQNJPU-LJQANCHMSA-N 1 0 436.560 3.683 50 0 IHAARO O=C(C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1)N1CCOCC1 ZINC000046055981 557027716 /nfs/dbraw/zinc/02/77/16/557027716.db2.gz YMDSOLNAZOFFNK-UHFFFAOYSA-N 1 0 435.543 3.900 50 0 IHAARO C[C@H](C(=O)NCCC[N@H+](C)C1CCCCC1)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944870 557028113 /nfs/dbraw/zinc/02/81/13/557028113.db2.gz ZVOGXSMILYOAIJ-OAHLLOKOSA-N 1 0 438.494 3.747 50 0 IHAARO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3cccn3-c3ncccn3)C2)c1 ZINC000023311395 557083460 /nfs/dbraw/zinc/08/34/60/557083460.db2.gz HYBLEOCWJQADML-FQEVSTJZSA-N 1 0 433.556 3.585 50 0 IHAARO CC[NH+]1CCN([C@@H]2CCc3c(sc4ncn(CCCc5ccccc5)c(=O)c34)C2)CC1 ZINC000023362855 557087996 /nfs/dbraw/zinc/08/79/96/557087996.db2.gz OOALFNPMKWOMIM-HXUWFJFHSA-N 1 0 436.625 3.586 50 0 IHAARO Cc1ccc([C@H](CN2CCOCC2)[NH2+]CC(=O)NCCSc2ccc(Cl)cc2)cc1 ZINC000049605850 557115185 /nfs/dbraw/zinc/11/51/85/557115185.db2.gz FPULPKBIZYTKSQ-QFIPXVFZSA-N 1 0 448.032 3.520 50 0 IHAARO Cc1ccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@H]34)CC2)cc1C ZINC000049626720 557115921 /nfs/dbraw/zinc/11/59/21/557115921.db2.gz ZZSQDHGSNRGFRY-FSGHIYQYSA-N 1 0 438.612 3.710 50 0 biogenic IHAARO CCc1ccc(OCCOC[C@H](O)C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000023224740 557116396 /nfs/dbraw/zinc/11/63/96/557116396.db2.gz FKRNAKKPQOCXAR-JOCHJYFZSA-N 1 0 432.992 3.789 50 0 IHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 ZINC000024759217 557135212 /nfs/dbraw/zinc/13/52/12/557135212.db2.gz MWHIVCMGHDZGND-QFIPXVFZSA-N 1 0 443.503 3.643 50 0 IHAARO Cc1nc2scc(-c3cccs3)c2c(NC[C@@H]([C@H]2CCOC2)[NH+]2CCOCC2)n1 ZINC000024204154 557140788 /nfs/dbraw/zinc/14/07/88/557140788.db2.gz YCCYODKOGVYWTI-RDJZCZTQSA-N 1 0 430.599 3.877 50 0 IHAARO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCC[NH+](C(C)C)C(C)C)ccc2C)c1 ZINC000024865337 557175383 /nfs/dbraw/zinc/17/53/83/557175383.db2.gz WXGYTRBPMXQJHO-UHFFFAOYSA-N 1 0 431.602 3.953 50 0 IHAARO Cc1c(NC(=O)CC[N@H+](C)Cc2ccccc2C(F)(F)F)c(=O)n(-c2ccccc2)n1C ZINC000024928163 557180479 /nfs/dbraw/zinc/18/04/79/557180479.db2.gz MLBKJRANAALGRL-UHFFFAOYSA-N 1 0 446.473 3.964 50 0 IHAARO O[C@@H](COCCOc1ccc(Cl)cc1)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000025228032 557200394 /nfs/dbraw/zinc/20/03/94/557200394.db2.gz YFWIKFAGWQBGJA-TZIWHRDSSA-N 1 0 433.932 3.705 50 0 IHAARO CC[C@H](COC)NC(=O)c1cc(N2CC[NH+](Cc3ccccc3)CC2)nc2ccccc21 ZINC000023327109 557313229 /nfs/dbraw/zinc/31/32/29/557313229.db2.gz KWWPEOJRAXUILH-OAQYLSRUSA-N 1 0 432.568 3.712 50 0 IHAARO CC[NH+](CC)[C@H](CNC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)c1cccc(OC)c1 ZINC000032902751 557317094 /nfs/dbraw/zinc/31/70/94/557317094.db2.gz ZGRJLPAKSONVKV-JNCYCUAHSA-N 1 0 442.556 3.934 50 0 IHAARO COCCC[N@@H+](Cc1cccn1Cc1cccc(F)c1)C[C@@H](O)COCc1ccco1 ZINC000004926405 557408881 /nfs/dbraw/zinc/40/88/81/557408881.db2.gz AOJGTSGWMVILBJ-HSZRJFAPSA-N 1 0 430.520 3.685 50 0 IHAARO CCc1cc(C(=O)N(C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)n(C)n1 ZINC000012073567 557527112 /nfs/dbraw/zinc/52/71/12/557527112.db2.gz NLFXXIKUYCRCND-XMMPIXPASA-N 1 0 438.616 3.824 50 0 IHAARO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1 ZINC000106913912 557533526 /nfs/dbraw/zinc/53/35/26/557533526.db2.gz FMCKSYYAAFCCQH-OTWHNJEPSA-N 1 0 429.605 3.531 50 0 IHAARO CCOCCOCc1cccc(NC(=O)N2C[C@H](CC)[N@H+](CC(C)(C)O)C[C@@H]2CC)c1 ZINC000225426107 557722153 /nfs/dbraw/zinc/72/21/53/557722153.db2.gz MWMKNYZIZPTRMX-VXKWHMMOSA-N 1 0 435.609 3.717 50 0 IHAARO CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000003211576 562932838 /nfs/dbraw/zinc/93/28/38/562932838.db2.gz WXCOWWSQUYQFTG-UWJYYQICSA-N 1 0 449.642 3.734 50 0 IHAARO Cc1nn([C@@H](C)C(=O)NCCC[NH+]2CCCCCC2)c(=O)c2c3ccccc3sc21 ZINC000006799180 562948396 /nfs/dbraw/zinc/94/83/96/562948396.db2.gz LTRGDWWSDGRXLW-KRWDZBQOSA-N 1 0 426.586 3.863 50 0 IHAARO Cc1nn([C@H](C)C(=O)NCCC[NH+]2CCCCCC2)c(=O)c2c3ccccc3sc21 ZINC000006799181 562948403 /nfs/dbraw/zinc/94/84/03/562948403.db2.gz LTRGDWWSDGRXLW-QGZVFWFLSA-N 1 0 426.586 3.863 50 0 IHAARO CCCC[N@H+](CC)CCCNC(=O)CS(=O)(=O)Cc1nc(-c2ccc(C)cc2)oc1C ZINC000008597774 562954085 /nfs/dbraw/zinc/95/40/85/562954085.db2.gz VQXSKLUDTXAMPA-UHFFFAOYSA-N 1 0 449.617 3.502 50 0 IHAARO COc1cc2c(c(OC[C@@H](O)C[NH2+]C(C)C)c1)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 ZINC000008917697 562966070 /nfs/dbraw/zinc/96/60/70/562966070.db2.gz LMFGSZBVOQSYSJ-MNVLBWLKSA-N 1 0 447.572 3.915 50 0 IHAARO COc1ccc(C)cc1NC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2SC)CC1 ZINC000043942565 568743650 /nfs/dbraw/zinc/74/36/50/568743650.db2.gz DCVBMRTYOIXGBS-UHFFFAOYSA-N 1 0 441.597 3.692 50 0 IHAARO COc1cccc(-n2cc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)c3ccccc3c2=O)c1 ZINC000015677228 568804349 /nfs/dbraw/zinc/80/43/49/568804349.db2.gz HZDGGKCQEFDAFM-LJQANCHMSA-N 1 0 433.552 3.994 50 0 IHAARO Cc1ccc(NC(=O)CN2CCN(C(=O)C[NH2+][C@H](C)c3cccc4ccccc43)CC2)cc1 ZINC000012809421 568813841 /nfs/dbraw/zinc/81/38/41/568813841.db2.gz CLIHCHXEVFRHGL-OAQYLSRUSA-N 1 0 444.579 3.582 50 0 IHAARO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)C3CCN(c4nc5cccnc5s4)CC3)C2)cc1 ZINC000015770311 568822330 /nfs/dbraw/zinc/82/23/30/568822330.db2.gz JQFQHWJRKULWKV-HXUWFJFHSA-N 1 0 449.624 3.854 50 0 IHAARO COc1ccc(NC(=O)[C@@H]2C[C@@H](CCSC)[NH2+][C@@]23C(=O)Nc2ccc(C)cc23)cc1 ZINC000015971858 568861522 /nfs/dbraw/zinc/86/15/22/568861522.db2.gz FAPYWKDYRHITMC-BVZALQNUSA-N 1 0 425.554 3.521 50 0 IHAARO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N(C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000229754029 568886840 /nfs/dbraw/zinc/88/68/40/568886840.db2.gz GEOGMSHZSONSMG-OLMMMNRUSA-N 1 0 427.511 3.740 50 0 IHAARO COc1ccc([C@H](CNC(=S)NCc2ccc3c(c2)OCO3)[NH+]2CCCCC2)cc1 ZINC000006336570 568893064 /nfs/dbraw/zinc/89/30/64/568893064.db2.gz LKJFGKBWINVKLK-FQEVSTJZSA-N 1 0 427.570 3.615 50 0 IHAARO O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000253623627 568920241 /nfs/dbraw/zinc/92/02/41/568920241.db2.gz BYQRZZAKUKCZOI-DKYNXLSCSA-N 1 0 432.568 3.690 50 0 IHAARO CN(C)c1ccc(-c2noc(C(=O)NCC3CC[NH+](Cc4ccc(F)cc4)CC3)n2)cc1 ZINC000064606110 568939825 /nfs/dbraw/zinc/93/98/25/568939825.db2.gz KJLKBXVDXCIQOQ-UHFFFAOYSA-N 1 0 437.519 3.584 50 0 IHAARO CC(C)COC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146104 568962047 /nfs/dbraw/zinc/96/20/47/568962047.db2.gz VXZNFRHZEDOISL-PKTZIBPZSA-N 1 0 432.511 3.994 50 0 IHAARO O[C@H](COCc1ccccc1)C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1ccco1 ZINC000036147387 568962353 /nfs/dbraw/zinc/96/23/53/568962353.db2.gz CACSYLKMKUVIIP-QFIPXVFZSA-N 1 0 433.508 3.952 50 0 IHAARO COc1ccc(C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C[C@@H]2CCCO2)cc1OC ZINC000169677800 568989911 /nfs/dbraw/zinc/98/99/11/568989911.db2.gz BTTKWFHJAVCJMO-CTNGQTDRSA-N 1 0 435.948 3.778 50 0 IHAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000036341853 569078941 /nfs/dbraw/zinc/07/89/41/569078941.db2.gz YMDVFLFKHKUDBH-JOCHJYFZSA-N 1 0 435.524 3.834 50 0 IHAARO CCc1nc(C)nc(N2CC[NH+](C[C@@H](O)Cc3ccccc3)CC2)c1Cc1ccc(C)cc1 ZINC000036340626 569079004 /nfs/dbraw/zinc/07/90/04/569079004.db2.gz YYMYTBRNYITPSL-VWLOTQADSA-N 1 0 444.623 3.972 50 0 IHAARO Cc1ccc(-n2cc3c(c(C(=O)NCC[N@H+]4CCCC[C@H]4C)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000483 569085972 /nfs/dbraw/zinc/08/59/72/569085972.db2.gz CCKJHTMXRTTZQW-LJQANCHMSA-N 1 0 449.595 3.905 50 0 IHAARO CCc1cccc(-n2nnc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c2-c2ccncc2)c1 ZINC000065083209 569102203 /nfs/dbraw/zinc/10/22/03/569102203.db2.gz VOPMNBVOPUAIJU-UHFFFAOYSA-N 1 0 444.583 3.982 50 0 IHAARO Cc1ccc(-c2nnc(N3CCC(C(=O)N4CC[NH+](C5CCCCC5)CC4)CC3)o2)cc1 ZINC000065229569 569118100 /nfs/dbraw/zinc/11/81/00/569118100.db2.gz VMGKRHBZNKWCHL-UHFFFAOYSA-N 1 0 437.588 3.738 50 0 IHAARO CCCNc1cc(N2CCC[C@H](CCC(=O)N3CCC[C@H](C[NH+]4CCCC4)C3)C2)ncn1 ZINC000065244914 569121726 /nfs/dbraw/zinc/12/17/26/569121726.db2.gz SPEMXOVPDVJQFC-FGZHOGPDSA-N 1 0 442.652 3.630 50 0 IHAARO CC(C)Oc1ccc(CNC(=O)c2ccc(N3CC[NH2+][C@@H](c4ccccc4)C3)nc2)cc1 ZINC000065256202 569123239 /nfs/dbraw/zinc/12/32/39/569123239.db2.gz XACYWYBQBKTZQK-XMMPIXPASA-N 1 0 430.552 3.950 50 0 IHAARO O=C(NCc1ccco1)N1CCC[C@@]2(C1)Nc1cccnc1[NH+]=C2NCc1ccccc1 ZINC000065265714 569127148 /nfs/dbraw/zinc/12/71/48/569127148.db2.gz MOVPPAZDZPWBLW-DEOSSOPVSA-N 1 0 430.512 3.664 50 0 biogenic IHAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000036703059 569135698 /nfs/dbraw/zinc/13/56/98/569135698.db2.gz VDSNERPRHTXNHV-FIKKOMSHSA-N 1 0 435.612 3.585 50 0 IHAARO CCO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N2CCC(CCC[NH+](C)C)CC2)C1(C)C ZINC000170602336 569143270 /nfs/dbraw/zinc/14/32/70/569143270.db2.gz OKPPBAKHGVAMOK-CYFREDJKSA-N 1 0 439.641 3.665 50 0 IHAARO COc1ccc([C@@H]([NH2+]CC2(OC)CCOCC2)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000170606849 569144009 /nfs/dbraw/zinc/14/40/09/569144009.db2.gz PGZCZZJPYAIFMH-NHCUHLMSSA-N 1 0 434.577 3.921 50 0 IHAARO COc1ncccc1C(=O)OC1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000170609424 569144729 /nfs/dbraw/zinc/14/47/29/569144729.db2.gz KTXVROAFDTYPFT-UHFFFAOYSA-N 1 0 435.318 3.553 50 0 IHAARO O=C(NCC[NH+]1CCCCC1)c1ccccc1N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000037276798 569145343 /nfs/dbraw/zinc/14/53/43/569145343.db2.gz SCBHDXQUSVSYIU-UHFFFAOYSA-N 1 0 440.632 3.568 50 0 IHAARO COCc1ccc(C(=O)OC2CC[NH+](CCOc3cccc(Br)c3)CC2)o1 ZINC000170617226 569147124 /nfs/dbraw/zinc/14/71/24/569147124.db2.gz SRWOQFGNQOPNQW-UHFFFAOYSA-N 1 0 438.318 3.889 50 0 IHAARO O=C1[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CCN1c1ccccc1F ZINC000170626138 569148606 /nfs/dbraw/zinc/14/86/06/569148606.db2.gz ZMFRJYUECVPTSV-MRXNPFEDSA-N 1 0 435.293 3.645 50 0 IHAARO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000071812723 569154538 /nfs/dbraw/zinc/15/45/38/569154538.db2.gz HUEXLCKOCYVOKL-MRXNPFEDSA-N 1 0 435.590 3.576 50 0 IHAARO Cc1ccccc1CN1CCN(C(=O)CCn2c(=S)[nH]nc2-c2cccs2)CC1 ZINC000014245503 569158219 /nfs/dbraw/zinc/15/82/19/569158219.db2.gz LBLGUFAWMRHUDN-UHFFFAOYSA-N 1 0 427.599 3.712 50 0 IHAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000014509690 569159241 /nfs/dbraw/zinc/15/92/41/569159241.db2.gz JZFTZGQJPBQXQU-UHFFFAOYSA-N 1 0 435.450 3.967 50 0 IHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)Cc1csc(NC(=O)c2ccco2)n1 ZINC000016784183 569162012 /nfs/dbraw/zinc/16/20/12/569162012.db2.gz ZCCWORKMNFKCON-UHFFFAOYSA-N 1 0 426.542 3.689 50 0 IHAARO O=C(NC1CC[NH+](CC2(O)CCCCC2)CC1)c1cc2cc(Br)ccc2[nH]1 ZINC000089800328 569165025 /nfs/dbraw/zinc/16/50/25/569165025.db2.gz QSFFHUMMZPDVDS-UHFFFAOYSA-N 1 0 434.378 3.820 50 0 IHAARO O=C(N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](C2CCCC2)CC1)OCc1ccccc1 ZINC000089829961 569165455 /nfs/dbraw/zinc/16/54/55/569165455.db2.gz DCKKRJUMJNBAFN-DEOSSOPVSA-N 1 0 435.568 3.611 50 0 IHAARO C[C@](O)(CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1ccc(F)cc1F ZINC000252515041 569189109 /nfs/dbraw/zinc/18/91/09/569189109.db2.gz GEEZRRSRBUBAPW-CDXJDZJCSA-N 1 0 442.428 3.599 50 0 IHAARO COc1ccc(-n2nc(C)c(CCC(=O)NCC[NH+](C)C)c2Oc2ccc(F)cc2)cc1 ZINC000037546732 569200162 /nfs/dbraw/zinc/20/01/62/569200162.db2.gz FMRAICOPQBBDBZ-UHFFFAOYSA-N 1 0 440.519 3.731 50 0 IHAARO CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000195529362 569204261 /nfs/dbraw/zinc/20/42/61/569204261.db2.gz LHKGYABLQQHGOD-VQIMIIECSA-N 1 0 428.964 3.825 50 0 IHAARO O=c1c2c3c(sc2n(CC[NH+]2CCCC2)c(=O)n1CCc1ccccc1)CCCCC3 ZINC000002219411 569204273 /nfs/dbraw/zinc/20/42/73/569204273.db2.gz WEIKFUAOJXMQNV-UHFFFAOYSA-N 1 0 437.609 3.832 50 0 IHAARO Cc1ccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@@H](O)[C@H]34)CC2)cc1C ZINC000252695451 569211112 /nfs/dbraw/zinc/21/11/12/569211112.db2.gz ZZSQDHGSNRGFRY-YEMUBGRISA-N 1 0 438.612 3.710 50 0 biogenic IHAARO CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000002428837 569302882 /nfs/dbraw/zinc/30/28/82/569302882.db2.gz PDISTKGNIJDHEZ-QFIPXVFZSA-N 1 0 436.508 3.697 50 0 IHAARO COc1ccc2c(c1)c([C@@H](O)C[NH+]1CCC3(CC1)OCCO3)c(C)n2Cc1ccccc1 ZINC000002438185 569303950 /nfs/dbraw/zinc/30/39/50/569303950.db2.gz DTKFWHIMNBUWEN-DEOSSOPVSA-N 1 0 436.552 3.879 50 0 IHAARO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)C1CCN(c2ccc(Cl)cn2)CC1 ZINC000079019208 569322266 /nfs/dbraw/zinc/32/22/66/569322266.db2.gz ABGWJAVXGGIZBP-UHFFFAOYSA-N 1 0 428.964 3.547 50 0 IHAARO O=C(NCC[NH+]1CCCCCC1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000020062163 569333125 /nfs/dbraw/zinc/33/31/25/569333125.db2.gz PPYQRZICVOCFBO-UHFFFAOYSA-N 1 0 442.025 3.511 50 0 IHAARO O=C(NC1CC1)c1cc(NC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)ccc1Cl ZINC000095946256 569376016 /nfs/dbraw/zinc/37/60/16/569376016.db2.gz KSOGUZHIDVSSDO-UHFFFAOYSA-N 1 0 448.995 3.589 50 0 IHAARO COc1ccc(-n2nc(C)c(CCC(=O)NCC[NH+](C)C)c2Oc2ccccc2F)cc1 ZINC000096280575 569389702 /nfs/dbraw/zinc/38/97/02/569389702.db2.gz FTPASSOQBUWJLF-UHFFFAOYSA-N 1 0 440.519 3.731 50 0 IHAARO Cc1cccc(-n2c(CC(=O)N3CCC([NH+]4CCCCC4)CC3)c3[nH]cccc-3c2=O)c1 ZINC000096386998 569398787 /nfs/dbraw/zinc/39/87/87/569398787.db2.gz VWBQTGNXMQHAFO-HSZRJFAPSA-N 1 0 432.568 3.959 50 0 IHAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CCc2nc(-c3ccccc3)no2)CC1 ZINC000028006892 569405867 /nfs/dbraw/zinc/40/58/67/569405867.db2.gz PQWOHSRMZNKBLZ-UHFFFAOYSA-N 1 0 425.920 3.713 50 0 IHAARO COc1cccc(-c2cc(C(=O)N3CCC([N@@H+]4CCc5sccc5C4)CC3)n(C)n2)c1 ZINC000225689588 569407197 /nfs/dbraw/zinc/40/71/97/569407197.db2.gz ZNEQLVYSTYVQGL-UHFFFAOYSA-N 1 0 436.581 3.820 50 0 IHAARO CCOC(=O)c1c(NC(=O)C[NH2+][C@@H]2CCCc3ccccc32)sc2c1CCN(CC)C2 ZINC000003328003 569446325 /nfs/dbraw/zinc/44/63/25/569446325.db2.gz VGGQRXMSVHYCNO-LJQANCHMSA-N 1 0 441.597 3.909 50 0 IHAARO Cn1c(SCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)nnc1-c1cccs1 ZINC000058438706 569454766 /nfs/dbraw/zinc/45/47/66/569454766.db2.gz ZDQJHNUIOKTLPR-UHFFFAOYSA-N 1 0 445.639 3.823 50 0 IHAARO O=c1c2cc(NC(=S)N3CC[NH+](C4CCCCC4)CC3)ccc2nc2n1CCCCC2 ZINC000003646016 569455614 /nfs/dbraw/zinc/45/56/14/569455614.db2.gz IRVAFPRQMWDKMV-UHFFFAOYSA-N 1 0 439.629 3.770 50 0 IHAARO CCC[NH+](CCC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000003661005 569455899 /nfs/dbraw/zinc/45/58/99/569455899.db2.gz CTSZZQADUBGVIN-DNQXCXABSA-N 1 0 437.584 3.844 50 0 IHAARO COc1ccccc1-c1noc(CCC(=O)NCC[N@@H+]2CCC[C@@H](c3ccccc3)C2)n1 ZINC000670451824 569456473 /nfs/dbraw/zinc/45/64/73/569456473.db2.gz GEXWDAGLPLTSBU-HXUWFJFHSA-N 1 0 434.540 3.674 50 0 IHAARO COc1ccc(-c2nc(CC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)cs2)cc1OC ZINC000229710190 569461393 /nfs/dbraw/zinc/46/13/93/569461393.db2.gz CIGXKYOEWKEYLD-MJGOQNOKSA-N 1 0 429.586 3.751 50 0 IHAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000008864273 569480212 /nfs/dbraw/zinc/48/02/12/569480212.db2.gz NZYRLRIWNJSPPQ-MRXNPFEDSA-N 1 0 427.448 3.539 50 0 IHAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCN(c4ncccc4Cl)C3)cc2)CC1 ZINC000040134959 569490596 /nfs/dbraw/zinc/49/05/96/569490596.db2.gz YZOJFSDENYNNFZ-GOSISDBHSA-N 1 0 427.980 3.732 50 0 IHAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cnn2c1nccc2-c1ccccc1 ZINC000040144789 569492025 /nfs/dbraw/zinc/49/20/25/569492025.db2.gz MPJILXFYSXTOHC-UHFFFAOYSA-N 1 0 426.524 3.709 50 0 IHAARO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1)C(C)C ZINC000040150160 569493134 /nfs/dbraw/zinc/49/31/34/569493134.db2.gz XYBLWYGENJHTTD-UHFFFAOYSA-N 1 0 442.629 3.897 50 0 IHAARO COc1ccc2c(c1)oc1c(c2=O)[C@H](c2cccc(OC(C)C)c2)N(CC[NH+](C)C)C1=O ZINC000009058878 569499247 /nfs/dbraw/zinc/49/92/47/569499247.db2.gz HCLYJSIJYUFXFQ-QFIPXVFZSA-N 1 0 436.508 3.696 50 0 IHAARO C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cccs1 ZINC000069352407 569502214 /nfs/dbraw/zinc/50/22/14/569502214.db2.gz HPLOVMKAUMESAU-BBRMVZONSA-N 1 0 425.476 3.539 50 0 IHAARO C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cccc(F)c1 ZINC000069366571 569502483 /nfs/dbraw/zinc/50/24/83/569502483.db2.gz DJSOGJVFSWXGMX-KXBFYZLASA-N 1 0 437.437 3.617 50 0 IHAARO C[C@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000009244408 569515030 /nfs/dbraw/zinc/51/50/30/569515030.db2.gz MQOZARHMCUATMQ-KRWDZBQOSA-N 1 0 447.626 3.521 50 0 IHAARO CC[NH+]1CCN(c2ccc(NC(=O)CCC(=O)c3ccc4c(c3)OCCCO4)cc2)CC1 ZINC000009322022 569522619 /nfs/dbraw/zinc/52/26/19/569522619.db2.gz ZIXQWPHYTLVVIP-UHFFFAOYSA-N 1 0 437.540 3.591 50 0 IHAARO CC[NH+](CC)CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1cccs1 ZINC000009432579 569534438 /nfs/dbraw/zinc/53/44/38/569534438.db2.gz INKUILVFSICMBI-FGZHOGPDSA-N 1 0 443.613 3.523 50 0 IHAARO CC(C)[C@H](C(=O)NCC1CC[NH+](Cc2ccc(F)cc2)CC1)N1Cc2ccccc2C1=O ZINC000009436156 569534924 /nfs/dbraw/zinc/53/49/24/569534924.db2.gz ARXWIEFNQZAOLP-XMMPIXPASA-N 1 0 437.559 3.835 50 0 IHAARO COc1ccc(Cl)c2sc(N(CC[NH+](C)C)C(=O)[C@@H]3COc4ccccc4O3)nc21 ZINC000009452422 569536556 /nfs/dbraw/zinc/53/65/56/569536556.db2.gz XFIFGZBABGZVMD-KRWDZBQOSA-N 1 0 447.944 3.693 50 0 IHAARO COc1cn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(C[NH+]2CCCCCC2)cc1=O ZINC000009622102 569553506 /nfs/dbraw/zinc/55/35/06/569553506.db2.gz SDKDGEXVNDZMRK-UHFFFAOYSA-N 1 0 437.462 3.890 50 0 IHAARO Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000009919609 569573452 /nfs/dbraw/zinc/57/34/52/569573452.db2.gz JTEMHHVCOVVDOQ-UHFFFAOYSA-N 1 0 429.586 3.648 50 0 IHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000010030602 569577304 /nfs/dbraw/zinc/57/73/04/569577304.db2.gz OHJQYKSUYUVEEP-UYAOXDASSA-N 1 0 429.948 3.739 50 0 IHAARO COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccc(OC(C)C)cc2)N(CC[NH+](C)C)C1=O ZINC000010233190 569579460 /nfs/dbraw/zinc/57/94/60/569579460.db2.gz LYCPCYIRSRPVEB-JOCHJYFZSA-N 1 0 436.508 3.696 50 0 IHAARO COc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000010233110 569579485 /nfs/dbraw/zinc/57/94/85/569579485.db2.gz RDSHIZOGBXRTCI-JOCHJYFZSA-N 1 0 436.508 3.534 50 0 IHAARO Cn1cc([C@H](CNS(=O)(=O)c2ccc(Br)s2)[NH+](C)C)c2ccccc21 ZINC000077171698 569585818 /nfs/dbraw/zinc/58/58/18/569585818.db2.gz KOHXHKGAOLNALP-HNNXBMFYSA-N 1 0 442.404 3.584 50 0 IHAARO O=C(c1cc2c(s1)CC[C@H](C(=O)N1CC[NH+](C3CCCC3)CC1)C2)N1CCCCCC1 ZINC000065273158 569588250 /nfs/dbraw/zinc/58/82/50/569588250.db2.gz VPBKTPNOYNIIOP-IBGZPJMESA-N 1 0 443.657 3.956 50 0 IHAARO CC[NH+](CC)CCNC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1 ZINC000004034420 132268534 /nfs/dbraw/zinc/26/85/34/132268534.db2.gz ZCUPOLWRUCJKLR-UPVQGACJSA-N 1 0 441.547 3.777 50 0 IHAARO CCn1c2ccccc2c2nnc(NCC[NH+]3CCN(c4cccc(C)c4C)CC3)nc21 ZINC000006781688 132278909 /nfs/dbraw/zinc/27/89/09/132278909.db2.gz YVHBDAAZAANLEW-UHFFFAOYSA-N 1 0 429.572 3.850 50 0 IHAARO CC(C)(CO)C[NH2+][C@@H]1CCc2c(sc3ncn(CCCc4ccccc4)c(=O)c23)C1 ZINC000014994618 519277811 /nfs/dbraw/zinc/27/78/11/519277811.db2.gz BYBYZVAVVMFZQD-GOSISDBHSA-N 1 0 425.598 3.556 50 0 IHAARO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000012606183 519799626 /nfs/dbraw/zinc/79/96/26/519799626.db2.gz IDMYFKWBUNGMFA-NBGIEHNGSA-N 1 0 437.584 3.872 50 0 IHAARO CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012734550 519821288 /nfs/dbraw/zinc/82/12/88/519821288.db2.gz YQBRHXLPKRPNGB-NRFANRHFSA-N 1 0 445.629 3.568 50 0 IHAARO CCCOc1c(Br)cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1OC ZINC000012535125 520293131 /nfs/dbraw/zinc/29/31/31/520293131.db2.gz NZQKYAZZGIWKRX-QGZVFWFLSA-N 1 0 430.306 3.693 50 0 IHAARO CC[NH+](CC)CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021526363 520605654 /nfs/dbraw/zinc/60/56/54/520605654.db2.gz CZOAJAHCYTUWIF-BRVOVERQSA-N 1 0 442.604 3.876 50 0 IHAARO CC1=C(CC[N@H+]2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)C(C)(C)CCC1 ZINC000012165643 520841203 /nfs/dbraw/zinc/84/12/03/520841203.db2.gz ZHRZWKHLMZVDQX-IBGZPJMESA-N 1 0 443.636 3.657 50 0 IHAARO CC[N@H+](CCCNC(=O)C1CCN(c2nc3cccnc3s2)CC1)Cc1ccccc1 ZINC000021163764 521012808 /nfs/dbraw/zinc/01/28/08/521012808.db2.gz AFDMORRSBNTOLO-UHFFFAOYSA-N 1 0 437.613 3.936 50 0 IHAARO CCCCn1c(CN(C)C[C@@H]2CC[N@H+](CC)C2)cnc1S(=O)(=O)CCCC(C)C ZINC000012301504 521361267 /nfs/dbraw/zinc/36/12/67/521361267.db2.gz IRWHLCHAUKYNHF-FQEVSTJZSA-N 1 0 426.671 3.667 50 0 IHAARO CCOC(=O)c1noc2nc(C)nc(NCC3CC[NH+](Cc4ccccc4F)CC3)c21 ZINC000021539151 521607480 /nfs/dbraw/zinc/60/74/80/521607480.db2.gz HOLMIWJFXQTQNN-UHFFFAOYSA-N 1 0 427.480 3.566 50 0 IHAARO CCCn1c(C[NH2+]C23CC4CC(CC(C4)C2)C3)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000012568521 521628995 /nfs/dbraw/zinc/62/89/95/521628995.db2.gz KHMFEDSLNLRCNA-UHFFFAOYSA-N 1 0 430.618 3.755 50 0 IHAARO CC[NH+]1CCN(CCNC(=O)CCc2cn(Cc3ccccc3F)c3ccccc23)CC1 ZINC000021527965 521682211 /nfs/dbraw/zinc/68/22/11/521682211.db2.gz IEXGSVXOYAHLAC-UHFFFAOYSA-N 1 0 436.575 3.515 50 0 IHAARO C=C1C(Nc2ccc(CN3CC[NH+](CC)CC3)cc2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000020977248 521689014 /nfs/dbraw/zinc/68/90/14/521689014.db2.gz UNPSLCLFTARGJF-UHFFFAOYSA-N 1 0 442.560 3.548 50 0 IHAARO COC(=O)c1c(NC(=O)C[NH2+]C[C@@H](c2ccccc2)N(C)C)sc2c1CCCCC2 ZINC000022031702 521764789 /nfs/dbraw/zinc/76/47/89/521764789.db2.gz GPUBHXOUQPYVLC-SFHVURJKSA-N 1 0 429.586 3.635 50 0 IHAARO Cn1cc([C@@H](CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)[NH+](C)C)c2ccccc21 ZINC000021698575 522068303 /nfs/dbraw/zinc/06/83/03/522068303.db2.gz LMDZYEUTBIOQCY-LJQANCHMSA-N 1 0 432.446 3.555 50 0 IHAARO CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)C[C@H]1NC(=O)c2ccccc21 ZINC000014975724 522660562 /nfs/dbraw/zinc/66/05/62/522660562.db2.gz AHUVPTDHCJLDMC-HSZRJFAPSA-N 1 0 439.987 3.928 50 0 IHAARO COC[C@H]1CCCC[N@@H+]1Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12 ZINC000020866631 522822621 /nfs/dbraw/zinc/82/26/21/522822621.db2.gz QIXPSAFYGQGRMP-JOCHJYFZSA-N 1 0 434.584 3.958 50 0 IHAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1nn(-c2cccc(OC)c2)c(=O)c2ccccc21 ZINC000020804806 523019620 /nfs/dbraw/zinc/01/96/20/523019620.db2.gz IWPWIGPJMSFIGX-IBGZPJMESA-N 1 0 448.567 3.779 50 0 IHAARO COc1ccc(-n2ncc(C(=O)Nc3ccc(NC(C)=O)cc3)c2C2CC[NH2+]CC2)cc1 ZINC000021018025 523351042 /nfs/dbraw/zinc/35/10/42/523351042.db2.gz GLDXDMIRKPXFJF-UHFFFAOYSA-N 1 0 433.512 3.559 50 0 IHAARO CCn1cc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)c(C)n1 ZINC000012576579 523373738 /nfs/dbraw/zinc/37/37/38/523373738.db2.gz XSSXZYAMWUTUHZ-XMMPIXPASA-N 1 0 437.632 3.548 50 0 IHAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]CCc1nc(-c3ccccc3)cs1)C2 ZINC000014754039 523611367 /nfs/dbraw/zinc/61/13/67/523611367.db2.gz MQYQVPMSXJOGNB-IBGZPJMESA-N 1 0 449.624 3.952 50 0 IHAARO CCn1nc(C)c(CNC(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)c1C ZINC000012449211 523644715 /nfs/dbraw/zinc/64/47/15/523644715.db2.gz PEFWBBWWYOWQTH-UHFFFAOYSA-N 1 0 447.583 3.888 50 0 IHAARO CCc1cc2c(ncnc2N2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)s1 ZINC000021716335 523848953 /nfs/dbraw/zinc/84/89/53/523848953.db2.gz SJTDSWAUMHXBOD-UHFFFAOYSA-N 1 0 437.613 3.718 50 0 IHAARO C[NH+]1CCN(Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)NC2CCCC2)CC1 ZINC000020600016 523908325 /nfs/dbraw/zinc/90/83/25/523908325.db2.gz RWJRIUNMMIAYBT-UHFFFAOYSA-N 1 0 425.548 3.678 50 0 IHAARO COCCNC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccc(C)cc1C ZINC000012246467 523914770 /nfs/dbraw/zinc/91/47/70/523914770.db2.gz GKEDOGLMLILMPF-UGKGYDQZSA-N 1 0 438.597 3.678 50 0 IHAARO COCCNC(=O)c1ccc(OC2CC[NH+]([C@H](C)Cc3ccccn3)CC2)c(Cl)c1 ZINC000012460205 523925665 /nfs/dbraw/zinc/92/56/65/523925665.db2.gz NBABHWNZYWOCJX-QGZVFWFLSA-N 1 0 431.964 3.586 50 0 IHAARO C[C@@H](C(=O)NCCC[NH+]1CCCC1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035562080 524181137 /nfs/dbraw/zinc/18/11/37/524181137.db2.gz PIFRBPCCEAHCCP-QGZVFWFLSA-N 1 0 445.007 3.912 50 0 IHAARO COc1ccc(N(C[C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000035590784 524366242 /nfs/dbraw/zinc/36/62/42/524366242.db2.gz DPPITQLJNRVYME-VWPQPMDRSA-N 1 0 446.613 3.823 50 0 IHAARO COc1ccc(OC)c(CC(=O)NC[C@@H]2CCC3(CC[NH+](Cc4ccccc4)CC3)O2)c1 ZINC000011969583 524814149 /nfs/dbraw/zinc/81/41/49/524814149.db2.gz LLLBQGCYKXGTEM-QHCPKHFHSA-N 1 0 438.568 3.576 50 0 IHAARO COc1ccc(OC)c(NC(=O)NCCC[NH+]2CCN(c3cc(C)ccc3C)CC2)c1 ZINC000021174754 524859587 /nfs/dbraw/zinc/85/95/87/524859587.db2.gz LBDSHWQEXMWZQL-UHFFFAOYSA-N 1 0 426.561 3.654 50 0 IHAARO COc1ccc([C@@H](CNC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)[NH+]2CCCC2)cc1 ZINC000012772226 525184462 /nfs/dbraw/zinc/18/44/62/525184462.db2.gz OBCPUYGNFPXYQZ-JOCHJYFZSA-N 1 0 433.556 3.730 50 0 IHAARO Cc1cc(OCCN2CC[NH+](Cc3ccccc3)CC2)ccc1I ZINC000020499994 525371746 /nfs/dbraw/zinc/37/17/46/525371746.db2.gz FQGNATXHHIJEMC-UHFFFAOYSA-N 1 0 436.337 3.796 50 0 IHAARO Cc1c(C(=O)NCC2([NH+]3CCCCC3)CCCC2)sc2ncnc(N[C@H]3CCOC3)c12 ZINC000012281962 525608014 /nfs/dbraw/zinc/60/80/14/525608014.db2.gz VSSGIXRTDFCWLG-KRWDZBQOSA-N 1 0 443.617 3.729 50 0 IHAARO COc1cccc(CN2C[C@@H]3C[C@@H](c4cnc(N5CCCC5)s4)[N@@H+]4CCC[C@@]34C2=O)c1 ZINC000012430415 525956695 /nfs/dbraw/zinc/95/66/95/525956695.db2.gz VPRSAIUQWPVAMX-WXVUKLJWSA-N 1 0 438.597 3.690 50 0 IHAARO COc1cccc(C[C@@]2(C3CC[NH+](C[C@@H](C)c4ccccc4)CC3)NC(=O)N(C)C2=O)c1 ZINC000014880895 526074008 /nfs/dbraw/zinc/07/40/08/526074008.db2.gz IWBRLGJCNOMKDJ-BCHFMIIMSA-N 1 0 435.568 3.674 50 0 IHAARO C[C@H](C(=O)N[C@@H]1CCCc2ccccc21)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000012748778 526103155 /nfs/dbraw/zinc/10/31/55/526103155.db2.gz CTJBXMPRJPAZOQ-VGOFRKELSA-N 1 0 449.551 3.648 50 0 IHAARO Cc1cc(=O)c(C(=O)NCc2ccccc2C[NH+](C)C)nn1-c1ccccc1C(F)(F)F ZINC000021938428 526130145 /nfs/dbraw/zinc/13/01/45/526130145.db2.gz SYCXQWKFDIDEFY-UHFFFAOYSA-N 1 0 444.457 3.551 50 0 IHAARO COc1cccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(F)cc2)c1 ZINC000035372943 526179001 /nfs/dbraw/zinc/17/90/01/526179001.db2.gz QVMGKICDFJKWOF-UHFFFAOYSA-N 1 0 440.544 3.829 50 0 IHAARO Cc1cc(C(=O)N(Cc2cccnc2)CC2CC[NH+](Cc3ccccc3C)CC2)nn1C ZINC000012304590 526232412 /nfs/dbraw/zinc/23/24/12/526232412.db2.gz CPJQEQQHFSCCRX-UHFFFAOYSA-N 1 0 431.584 3.987 50 0 IHAARO O=C(CC[C@@]1(Cc2ccsc2)CCC(=O)N1)NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000012159922 526564715 /nfs/dbraw/zinc/56/47/15/526564715.db2.gz XRBQKRAVTGVJJZ-QPPBQGQZSA-N 1 0 443.588 3.812 50 0 IHAARO O=C(c1nc2sccn2c1C[NH2+]CCCOc1cccnc1)N1CCCCCCC1 ZINC000012444691 526919323 /nfs/dbraw/zinc/91/93/23/526919323.db2.gz WUUFPJKACWKQIF-UHFFFAOYSA-N 1 0 427.574 3.756 50 0 IHAARO Clc1ccc2c(c1)nc(CN1CC[NH+](C3CCCC3)CC1)nc2NC[C@H]1CCCO1 ZINC000022853557 526967717 /nfs/dbraw/zinc/96/77/17/526967717.db2.gz CZKATMRHJOVSAQ-LJQANCHMSA-N 1 0 429.996 3.934 50 0 IHAARO O=C(NC1CCCC1)c1ccc(N2CCC([NH2+]CCc3cn4ccsc4n3)CC2)cc1 ZINC000014984210 527511215 /nfs/dbraw/zinc/51/12/15/527511215.db2.gz QDNWPJHMAZCHGD-UHFFFAOYSA-N 1 0 437.613 3.869 50 0 IHAARO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000022837227 527544097 /nfs/dbraw/zinc/54/40/97/527544097.db2.gz WZTZWCNKCHTIJY-UHFFFAOYSA-N 1 0 435.547 3.775 50 0 IHAARO O=C(NCCCN1CCCC1=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012754276 527664036 /nfs/dbraw/zinc/66/40/36/527664036.db2.gz ZJUHJKLHJTXONM-UHFFFAOYSA-N 1 0 449.595 3.515 50 0 IHAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc(CN2C(=O)CSc3ncccc32)cc1 ZINC000021530255 527665755 /nfs/dbraw/zinc/66/57/55/527665755.db2.gz VYEITRJYQVPOQM-UHFFFAOYSA-N 1 0 438.597 3.716 50 0 IHAARO COc1cccc(C(=O)N2CCC([NH+]3CCC(C(=O)N(C)Cc4ccccc4)CC3)CC2)c1 ZINC000034912458 555934507 /nfs/dbraw/zinc/93/45/07/555934507.db2.gz YUQCWZVTFCSKIH-UHFFFAOYSA-N 1 0 449.595 3.670 50 0 IHAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)Cn2ncc3c2-c2ccccc2OC3)cc1 ZINC000009831058 556312324 /nfs/dbraw/zinc/31/23/24/556312324.db2.gz RVNCBKSQNUHFIS-UHFFFAOYSA-N 1 0 448.523 3.580 50 0 IHAARO CCN(Cc1cnc(N2CCOCC2)s1)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000011879264 556371746 /nfs/dbraw/zinc/37/17/46/556371746.db2.gz VXCBPMAKFILNEV-NRFANRHFSA-N 1 0 446.636 3.895 50 0 IHAARO COc1ccccc1C[NH+]1CCC2(CC[C@H](CNC(=O)[C@H]3CC(=O)c4ccccc43)O2)CC1 ZINC000012002743 556385933 /nfs/dbraw/zinc/38/59/33/556385933.db2.gz SGAVVZLEKYUVKW-OFNKIYASSA-N 1 0 448.563 3.695 50 0 IHAARO COc1ccccc1C[NH+]1CCC2(CC[C@@H](CNC(=O)[C@@H]3CC(=O)c4ccccc43)O2)CC1 ZINC000012002711 556386025 /nfs/dbraw/zinc/38/60/25/556386025.db2.gz SGAVVZLEKYUVKW-NZQKXSOJSA-N 1 0 448.563 3.695 50 0 IHAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)CCOc4ccccc4)C3)C2)c1OC ZINC000012023721 556387425 /nfs/dbraw/zinc/38/74/25/556387425.db2.gz YMQKOGKZLHKZLM-SANMLTNESA-N 1 0 438.568 3.987 50 0 IHAARO C[C@@H](CC[N@H+]1CCc2nnc(CNC(=O)c3c(F)cccc3F)n2CC1)c1ccccc1 ZINC000012035592 556389781 /nfs/dbraw/zinc/38/97/81/556389781.db2.gz QSJPUVCYZIWTPI-KRWDZBQOSA-N 1 0 439.510 3.538 50 0 IHAARO CO[C@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)c1ccccc1 ZINC000012050455 556392017 /nfs/dbraw/zinc/39/20/17/556392017.db2.gz NHQDRPZEZXUDJV-VWLOTQADSA-N 1 0 446.551 3.981 50 0 IHAARO COc1ccc(Cc2noc(CN3CCC([N@@H+]4CCc5ccccc5C4)CC3)n2)cc1OC ZINC000012049773 556392048 /nfs/dbraw/zinc/39/20/48/556392048.db2.gz AWPUOMHEWVMOLM-UHFFFAOYSA-N 1 0 448.567 3.700 50 0 IHAARO CN(C(=O)CC[C@@H]1CCCN(C(=O)CCCCc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000012051876 556392619 /nfs/dbraw/zinc/39/26/19/556392619.db2.gz PJQKRKLJFCSZMG-QHCPKHFHSA-N 1 0 427.633 3.971 50 0 IHAARO O=C(c1ccc(NCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)nc1)N1CCCC1 ZINC000032830032 556416653 /nfs/dbraw/zinc/41/66/53/556416653.db2.gz ABHJDJBQFOJMIW-UHFFFAOYSA-N 1 0 447.505 3.571 50 0 IHAARO CCCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@H+](Cc2ccc(O)cc2)C1 ZINC000014530945 556420410 /nfs/dbraw/zinc/42/04/10/556420410.db2.gz IZAMOGPIFCKDOA-XZOQPEGZSA-N 1 0 449.595 3.874 50 0 IHAARO CC[C@H](C)C[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CCc1ccccc1 ZINC000014538992 556424575 /nfs/dbraw/zinc/42/45/75/556424575.db2.gz ZEWLSKCRHRHAIC-NRFANRHFSA-N 1 0 434.584 3.969 50 0 IHAARO Cc1ccc(F)c(C[NH2+][C@@H]2CCc3c(c(C(=O)N(C)Cc4ccco4)nn3C)C2)c1F ZINC000014745598 556440739 /nfs/dbraw/zinc/44/07/39/556440739.db2.gz DBDVVXSLBXLNRY-OAHLLOKOSA-N 1 0 428.483 3.519 50 0 IHAARO CC(C)N1C[C@H](OCc2ccc(OC(F)(F)F)cc2)CN(Cc2cccnc2)CC1=O ZINC000014748656 556442374 /nfs/dbraw/zinc/44/23/74/556442374.db2.gz YUUDGKAYCDSMEN-HXUWFJFHSA-N 1 0 437.462 3.618 50 0 IHAARO CN1C(=O)N(CCCc2ccncc2)C(=O)C12CC[NH+](Cc1nc3ccccc3s1)CC2 ZINC000014751651 556443623 /nfs/dbraw/zinc/44/36/23/556443623.db2.gz LDWAQNUXZBQDBP-UHFFFAOYSA-N 1 0 449.580 3.553 50 0 IHAARO COc1ccc(CN2C(=O)N(C)C3(CC[NH+](Cc4ccc(SC)cc4)CC3)C2=O)cc1 ZINC000014752214 556444067 /nfs/dbraw/zinc/44/40/67/556444067.db2.gz RRRYOXNYQSZWDO-UHFFFAOYSA-N 1 0 439.581 3.846 50 0 IHAARO O=C(NCc1nccs1)c1nn(CC2CC2)c2c1C[N@H+](CCCc1ccccc1)CC2 ZINC000014755290 556444790 /nfs/dbraw/zinc/44/47/90/556444790.db2.gz CYHJJSCRFMPTHS-UHFFFAOYSA-N 1 0 435.597 3.671 50 0 IHAARO COc1cccc(C[C@]2(C3CC[NH+](Cc4cc(C)c(C)cc4C)CC3)NC(=O)N(C)C2=O)c1 ZINC000014889581 556456166 /nfs/dbraw/zinc/45/61/66/556456166.db2.gz PDEVUFQDERKBPW-HHHXNRCGSA-N 1 0 449.595 3.996 50 0 IHAARO CCOC(=O)N1CCC(NC(=O)[C@@H]2CC23CC[NH+](CC[C@H](C)c2ccc(C)o2)CC3)CC1 ZINC000014888964 556456273 /nfs/dbraw/zinc/45/62/73/556456273.db2.gz KMAWVUVNRLVUOA-RXVVDRJESA-N 1 0 445.604 3.921 50 0 IHAARO c1cc(NCCCNc2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)cc[nH+]1 ZINC000072278769 556460549 /nfs/dbraw/zinc/46/05/49/556460549.db2.gz YTWGCORHWVZQAF-UHFFFAOYSA-N 1 0 438.601 3.711 50 0 IHAARO c1ccc(CCC[N@@H+]2CCOc3ccc(CN4CCN(c5ncccn5)CC4)cc3C2)cc1 ZINC000014969175 556466460 /nfs/dbraw/zinc/46/64/60/556466460.db2.gz JZFLIJDRECBZDI-UHFFFAOYSA-N 1 0 443.595 3.626 50 0 IHAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)C2=NN(C)C(=O)CC2)C2CCCC2)CC1 ZINC000014977731 556469628 /nfs/dbraw/zinc/46/96/28/556469628.db2.gz VWVNSRKGFKEDKL-UHFFFAOYSA-N 1 0 438.616 3.629 50 0 IHAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000013118111 556471498 /nfs/dbraw/zinc/47/14/98/556471498.db2.gz DKKAGNPNRPVSJC-JOCHJYFZSA-N 1 0 426.520 3.918 50 0 IHAARO C[NH+](C)Cc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NC[C@@H]1CCCO1 ZINC000014983468 556471683 /nfs/dbraw/zinc/47/16/83/556471683.db2.gz DEOXZXFYDSVGBN-SFHVURJKSA-N 1 0 425.554 3.699 50 0 IHAARO CC[C@@H]1C[N@H+](CCC(=O)NCCCn2ncc3ccccc32)Cc2cc(OC)ccc2O1 ZINC000014987988 556473708 /nfs/dbraw/zinc/47/37/08/556473708.db2.gz MVRBAZTUOADQHH-OAQYLSRUSA-N 1 0 436.556 3.615 50 0 IHAARO CN1CCC([N@H+](C)Cc2ccc(OC3CCN(C(=O)Cc4ccsc4)CC3)cc2)CC1 ZINC000015003120 556480441 /nfs/dbraw/zinc/48/04/41/556480441.db2.gz PLTYMROHVTVPKK-UHFFFAOYSA-N 1 0 441.641 3.887 50 0 IHAARO COc1ccc(Cn2c3cc4c(cc3cc(C[N@H+](C)CCn3cccn3)c2=O)CCC4)cc1 ZINC000015067668 556493906 /nfs/dbraw/zinc/49/39/06/556493906.db2.gz CZQQDLWWUCLGRD-UHFFFAOYSA-N 1 0 442.563 3.876 50 0 IHAARO CC[NH+](CC)CCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000015339513 556522179 /nfs/dbraw/zinc/52/21/79/556522179.db2.gz PYJGPOPCPNSJJE-UHFFFAOYSA-N 1 0 444.384 3.866 50 0 IHAARO CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CC[NH+](C2CCN(C(C)=O)CC2)CC1 ZINC000013595619 556531684 /nfs/dbraw/zinc/53/16/84/556531684.db2.gz RRPRNJKYHVQHAI-UHFFFAOYSA-N 1 0 440.506 3.904 50 0 IHAARO Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)[NH+]2CCCC2)cc1 ZINC000032593967 556541957 /nfs/dbraw/zinc/54/19/57/556541957.db2.gz JUMUKAOIGYLOFB-NRFANRHFSA-N 1 0 433.508 3.988 50 0 IHAARO Cc1nc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc(N2CCCCC2)[nH+]1 ZINC000015671200 556542223 /nfs/dbraw/zinc/54/22/23/556542223.db2.gz WGEQXNORVUPYCS-UHFFFAOYSA-N 1 0 433.478 3.757 50 0 IHAARO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1ccc(Cl)cc1 ZINC000032622678 556542907 /nfs/dbraw/zinc/54/29/07/556542907.db2.gz RQXRNRLISGOGGB-GOSISDBHSA-N 1 0 427.888 3.799 50 0 IHAARO CCC[N@H+](C)C[C@H]1CCN(CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)C1 ZINC000072308813 556567334 /nfs/dbraw/zinc/56/73/34/556567334.db2.gz BGAQNOVJXGSBAY-LJQANCHMSA-N 1 0 443.613 3.716 50 0 IHAARO C[C@@H]([NH2+]C1(CNC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C)CCOCC1)c1ccccc1 ZINC000072309573 556572471 /nfs/dbraw/zinc/57/24/71/556572471.db2.gz UXLGUCLCGGTVPC-RBUKOAKNSA-N 1 0 433.593 3.506 50 0 IHAARO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)c1cnc2sccn2c1=O ZINC000032909951 556578067 /nfs/dbraw/zinc/57/80/67/556578067.db2.gz XMVDJDYCOBZRPS-UHFFFAOYSA-N 1 0 444.560 3.949 50 0 IHAARO CN(C(=O)c1cnc(-c2ccc3c(c2)OCO3)nc1Nc1cccc(F)c1)[C@H]1CC[N@H+](C)C1 ZINC000034921984 556586859 /nfs/dbraw/zinc/58/68/59/556586859.db2.gz ZKEXNQZQLYPSTE-SFHVURJKSA-N 1 0 449.486 3.531 50 0 IHAARO CC1CC[NH+]([C@@H](CNC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)c2cccs2)CC1 ZINC000032983107 556601466 /nfs/dbraw/zinc/60/14/66/556601466.db2.gz QGJGWMBKOWUFSR-FQEVSTJZSA-N 1 0 436.581 3.607 50 0 IHAARO COc1cc(C[NH2+]CCc2ccccc2F)ccc1OCc1ccc2c(c1)n(C)c(=O)n2C ZINC000016363967 556603425 /nfs/dbraw/zinc/60/34/25/556603425.db2.gz YYNNQETXOFOPEW-UHFFFAOYSA-N 1 0 449.526 3.936 50 0 IHAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(C(C)C)nc2c1c(C)nn2C ZINC000409413632 556641143 /nfs/dbraw/zinc/64/11/43/556641143.db2.gz JNQMPGXJSNDOPU-SIKLNZKXSA-N 1 0 441.620 3.753 50 0 biogenic IHAARO COc1ccc(Br)cc1S(=O)(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000032927494 556656349 /nfs/dbraw/zinc/65/63/49/556656349.db2.gz XUXAUFAVBURANJ-UHFFFAOYSA-N 1 0 445.423 3.734 50 0 IHAARO CCc1nnc(C(=O)Nc2ccc(C(=O)NCCC[N@H+]3CCCC[C@H]3CC)cc2)s1 ZINC000033011423 556659327 /nfs/dbraw/zinc/65/93/27/556659327.db2.gz CNSHWPYQPSKTPM-GOSISDBHSA-N 1 0 429.590 3.737 50 0 IHAARO Cc1ccc(NC(=O)c2nnc(SCC(=O)NCCC[N@H+]3CCCC[C@H]3C)s2)cc1 ZINC000033011785 556659797 /nfs/dbraw/zinc/65/97/97/556659797.db2.gz CUHLBDUCGJJRTD-MRXNPFEDSA-N 1 0 447.630 3.572 50 0 IHAARO Cc1ccc(NC(=O)c2nnc(SCC(=O)NCCC[N@H+]3CCCC[C@@H]3C)s2)cc1 ZINC000033011787 556659861 /nfs/dbraw/zinc/65/98/61/556659861.db2.gz CUHLBDUCGJJRTD-INIZCTEOSA-N 1 0 447.630 3.572 50 0 IHAARO COc1cccc(C(=O)Nc2ccccc2-c2cn3c(CN4CC[NH2+]CC4)csc3n2)c1 ZINC000045498676 556686575 /nfs/dbraw/zinc/68/65/75/556686575.db2.gz FXNUSBGUIMZVRS-UHFFFAOYSA-N 1 0 447.564 3.729 50 0 IHAARO CCCc1nnc(C(=O)Nc2cccc(C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)c2)s1 ZINC000033022787 556687901 /nfs/dbraw/zinc/68/79/01/556687901.db2.gz DFZMJNIPDAMXDJ-MRXNPFEDSA-N 1 0 429.590 3.595 50 0 IHAARO COC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CC[N@@H+]3CCC[C@@H]3C1)c1ccccc1CC2 ZINC000019338435 556739494 /nfs/dbraw/zinc/73/94/94/556739494.db2.gz PAUBRSDGFKFUPI-JOCHJYFZSA-N 1 0 448.567 3.798 50 0 IHAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)[C@@H]1COc2ccccc2O1 ZINC000058161192 556765018 /nfs/dbraw/zinc/76/50/18/556765018.db2.gz SEUHEICCJKKXIX-VWLOTQADSA-N 1 0 429.520 3.787 50 0 IHAARO CC[N@@H+]1CCc2nc(-c3ccccc3)n(CC(=O)Nc3ccc(Cl)cc3F)c(=O)c2C1 ZINC000062007142 556765342 /nfs/dbraw/zinc/76/53/42/556765342.db2.gz APGZKBIDFYGNTE-UHFFFAOYSA-N 1 0 440.906 3.720 50 0 IHAARO CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000059057581 556794578 /nfs/dbraw/zinc/79/45/78/556794578.db2.gz AJDUPXGDEZQTMY-OALUTQOASA-N 1 0 428.598 3.888 50 0 IHAARO Cc1nnc(SCC(=O)N(Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)o1 ZINC000067643380 556845519 /nfs/dbraw/zinc/84/55/19/556845519.db2.gz FTIDDXVCMQSOGY-HXUWFJFHSA-N 1 0 443.617 3.939 50 0 IHAARO CCc1cc2c(ncnc2N2CCC(C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)CC2)s1 ZINC000033078236 556853233 /nfs/dbraw/zinc/85/32/33/556853233.db2.gz FUVFHSOAIIIIMM-QGZVFWFLSA-N 1 0 429.634 3.708 50 0 IHAARO CC(C)OC(=O)c1ncoc1-c1ccccc1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000033131142 556871674 /nfs/dbraw/zinc/87/16/74/556871674.db2.gz XNAURLSMKRAYFL-UHFFFAOYSA-N 1 0 425.529 3.997 50 0 IHAARO COc1cccc(C[NH+]2CCC(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)CC2)c1 ZINC000004679689 556874381 /nfs/dbraw/zinc/87/43/81/556874381.db2.gz XUNDZRPESBTRHN-UXBLZVDNSA-N 1 0 433.596 3.765 50 0 IHAARO Cc1ccc(S(=O)(=O)N2CCC(CC(=O)NCC[C@H](C)[NH+]3CCCCCC3)CC2)cc1 ZINC000033254586 556890718 /nfs/dbraw/zinc/89/07/18/556890718.db2.gz GPBARVLGVONZHH-NRFANRHFSA-N 1 0 449.661 3.557 50 0 IHAARO CCOc1ccccc1CN1CC[N@@H+](C2CCN(c3ccccc3F)CC2)C[C@@H]1CCO ZINC000019770854 556912650 /nfs/dbraw/zinc/91/26/50/556912650.db2.gz LYGKEMWTKLRSCL-QHCPKHFHSA-N 1 0 441.591 3.762 50 0 IHAARO NC(=O)CC[NH+]1CCN(CCO[C@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000019801923 556917808 /nfs/dbraw/zinc/91/78/08/556917808.db2.gz RRMSMKQFFNOZRL-FQEVSTJZSA-N 1 0 446.016 3.598 50 0 IHAARO NC(=O)CC[NH+]1CCN(CCO[C@@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000019801921 556917817 /nfs/dbraw/zinc/91/78/17/556917817.db2.gz RRMSMKQFFNOZRL-HXUWFJFHSA-N 1 0 446.016 3.598 50 0 IHAARO Cn1c2ccc(NC(=O)c3ccc(C[N@@H+]4CCc5ccccc5C4)cc3)cc2n(C)c1=O ZINC000019928892 556946890 /nfs/dbraw/zinc/94/68/90/556946890.db2.gz DANCDVDXOGAIEP-UHFFFAOYSA-N 1 0 426.520 3.688 50 0 IHAARO Clc1cccc(N2CC[NH+]([C@@H]3CCCN(Cc4ccc5c(c4)OCCO5)C3)CC2)c1 ZINC000019939938 556953322 /nfs/dbraw/zinc/95/33/22/556953322.db2.gz LVPYCHKFQADOOW-JOCHJYFZSA-N 1 0 427.976 3.898 50 0 IHAARO COc1ccc(C[N@@H+]2CCN(Cc3c[nH]nc3-c3ccccc3)C[C@@H]2CCO)c(C)c1C ZINC000020166955 556994080 /nfs/dbraw/zinc/99/40/80/556994080.db2.gz MBBYZTWOBHBYSX-DEOSSOPVSA-N 1 0 434.584 3.771 50 0 IHAARO CC[NH+]1CCN([C@@H](c2ccc(OC)cc2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1 ZINC000023086381 556997332 /nfs/dbraw/zinc/99/73/32/556997332.db2.gz XOQHRTVLLQBCGX-SANMLTNESA-N 1 0 447.579 3.646 50 0 IHAARO CC[NH+]1CCN(c2nc3c(cnn3-c3ccccc3)c(Nc3ccc(OC)cc3)n2)CC1 ZINC000017288696 557045740 /nfs/dbraw/zinc/04/57/40/557045740.db2.gz VFCVTULIIKIFAH-UHFFFAOYSA-N 1 0 429.528 3.710 50 0 IHAARO COc1ccc(COC[C@@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022923795 557047841 /nfs/dbraw/zinc/04/78/41/557047841.db2.gz VGDGVAFLGVNWFD-SANMLTNESA-N 1 0 446.591 3.980 50 0 IHAARO O=C(CC[N@@H+]1CCC[C@@H]1c1ccsc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000048248801 557048238 /nfs/dbraw/zinc/04/82/38/557048238.db2.gz RHZJABRYROQGAM-HXUWFJFHSA-N 1 0 433.599 3.698 50 0 IHAARO CCOc1c(Br)cc(C[NH2+]Cc2ccccc2CN2CCOCC2)cc1OC ZINC000017318134 557057444 /nfs/dbraw/zinc/05/74/44/557057444.db2.gz ZSYGGWRGBHGVKT-UHFFFAOYSA-N 1 0 449.389 3.978 50 0 IHAARO O=C(NCCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000082108380 557058444 /nfs/dbraw/zinc/05/84/44/557058444.db2.gz NXTRJDXQWVWFJT-HXUWFJFHSA-N 1 0 426.992 3.775 50 0 IHAARO O=c1c(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc2ccc(F)cc2n1C[C@H]1CCCO1 ZINC000023145577 557068181 /nfs/dbraw/zinc/06/81/81/557068181.db2.gz XKGJAZALLBQSRA-HSZRJFAPSA-N 1 0 439.506 3.781 50 0 IHAARO COCCN(Cc1c(C)nn(C)c1Cl)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000023367346 557088491 /nfs/dbraw/zinc/08/84/91/557088491.db2.gz GJGCNOPKBXYYOF-UHFFFAOYSA-N 1 0 435.012 3.751 50 0 IHAARO Cc1cccc(C[N@@H+]2CCc3nc(C)n(CC(=O)Nc4ccc(C)cc4C)c(=O)c3C2)c1 ZINC000049400935 557096676 /nfs/dbraw/zinc/09/66/76/557096676.db2.gz XBYOIXRJKDQULK-UHFFFAOYSA-N 1 0 430.552 3.674 50 0 IHAARO Cc1ccc(C)n1-c1nnc(N2CCC[C@H](C(=O)NCCC[NH+]3CCCCCC3)C2)s1 ZINC000033315254 557097219 /nfs/dbraw/zinc/09/72/19/557097219.db2.gz VKDROWYNFRPVQA-FQEVSTJZSA-N 1 0 444.649 3.544 50 0 IHAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2)c1cccc(OC)c1 ZINC000010917306 557099052 /nfs/dbraw/zinc/09/90/52/557099052.db2.gz NZJGXYXQCUXSCC-MGPUTAFESA-N 1 0 427.570 3.941 50 0 IHAARO C[N@H+](CC(=O)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)[C@@H]1CCCc2ccccc21 ZINC000049573725 557113585 /nfs/dbraw/zinc/11/35/85/557113585.db2.gz RZOXPHAJAHPADT-BCIXFCFJSA-N 1 0 449.576 3.849 50 0 IHAARO Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)cc12 ZINC000017803568 557123761 /nfs/dbraw/zinc/12/37/61/557123761.db2.gz CXVSECGVVROOOL-IBGZPJMESA-N 1 0 444.576 3.680 50 0 IHAARO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1nccc(-c2cn(C)c3cnccc23)n1 ZINC000096170450 557182228 /nfs/dbraw/zinc/18/22/28/557182228.db2.gz ZYVXTMKTGDARKR-UHFFFAOYSA-N 1 0 429.528 3.534 50 0 in-vitro IHAARO Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCCC[NH+]3C[C@H](C)O[C@@H](C)C3)cc12 ZINC000024968859 557183476 /nfs/dbraw/zinc/18/34/76/557183476.db2.gz RPIQMTJEHMQGKP-HOTGVXAUSA-N 1 0 444.576 3.823 50 0 IHAARO COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC[NH+](C(C)C)C(C)C)c2)cc1 ZINC000024979903 557185277 /nfs/dbraw/zinc/18/52/77/557185277.db2.gz LCAVDIJFRDACCA-UHFFFAOYSA-N 1 0 447.601 3.653 50 0 IHAARO COc1cccc(OC[C@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000096900480 557206154 /nfs/dbraw/zinc/20/61/54/557206154.db2.gz PVWIREUYHWDOGR-XMMPIXPASA-N 1 0 432.564 3.842 50 0 IHAARO O=C(COC(=O)c1ccc(-c2ccc(O)cc2)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000011648512 557219494 /nfs/dbraw/zinc/21/94/94/557219494.db2.gz GQXOLCOVUJSIQR-UHFFFAOYSA-N 1 0 444.531 3.997 50 0 IHAARO CC(C)(CNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000025897831 557229337 /nfs/dbraw/zinc/22/93/37/557229337.db2.gz MTTUMWRCNMOENN-UHFFFAOYSA-N 1 0 434.584 3.884 50 0 IHAARO COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2n1 ZINC000018166575 557245202 /nfs/dbraw/zinc/24/52/02/557245202.db2.gz NDUVTEUQMCJKDY-GOOCMWNKSA-N 1 0 441.482 3.698 50 0 IHAARO C1=C(Nc2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)C[N@@H+](Cc2ccccc2)C1 ZINC000102333138 557319257 /nfs/dbraw/zinc/31/92/57/557319257.db2.gz TYTSNAUXSAYWHW-UHFFFAOYSA-N 1 0 447.608 3.824 50 0 IHAARO Cc1cccc(N2CC[N@@H+](C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@@H]43)C[C@H]2C)c1 ZINC000105372148 557331500 /nfs/dbraw/zinc/33/15/00/557331500.db2.gz XZCQJZYHYNIVDU-UXRNACRGSA-N 1 0 438.612 3.791 50 0 IHAARO O=C1N(Cc2cccnc2)C(=O)C2(CC[NH+](Cc3ccoc3)CC2)N1CCc1ccccc1 ZINC000014540702 557340596 /nfs/dbraw/zinc/34/05/96/557340596.db2.gz SRAILXPAZIITNB-UHFFFAOYSA-N 1 0 444.535 3.716 50 0 IHAARO COCCN(C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@H]1c1cccc(F)c1)C(=O)COC ZINC000247851385 557350550 /nfs/dbraw/zinc/35/05/50/557350550.db2.gz RSJXFMKCAQJGIB-REWPJTCUSA-N 1 0 448.966 3.816 50 0 IHAARO CC[NH+]1CCN([C@H](c2ccc(Cl)cc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 ZINC000023478420 557363545 /nfs/dbraw/zinc/36/35/45/557363545.db2.gz ITTYWAPURRJREC-HSZRJFAPSA-N 1 0 441.959 3.884 50 0 IHAARO CC[NH+]1CCN([C@@H](c2ccc(C)cc2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1 ZINC000023478406 557363594 /nfs/dbraw/zinc/36/35/94/557363594.db2.gz AFSMICAXQGELRI-SANMLTNESA-N 1 0 431.580 3.946 50 0 IHAARO O=C(NC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@H]12 ZINC000104915834 557464800 /nfs/dbraw/zinc/46/48/00/557464800.db2.gz LCCATPJKQSSUME-JTHBVZDNSA-N 1 0 443.513 3.890 50 0 IHAARO Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000010112533 557498622 /nfs/dbraw/zinc/49/86/22/557498622.db2.gz BXCGWKWROZSEJS-UHFFFAOYSA-N 1 0 429.586 3.648 50 0 IHAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000105874530 557511967 /nfs/dbraw/zinc/51/19/67/557511967.db2.gz VDSNERPRHTXNHV-GEBQCUDNSA-N 1 0 435.612 3.585 50 0 IHAARO COc1cc(C[N@@H+](Cc2cc(=O)n3cc(C)ccc3n2)CC(C)C)cc(OC)c1OC ZINC000045974124 557555994 /nfs/dbraw/zinc/55/59/94/557555994.db2.gz CAYVXMINRBJXEQ-UHFFFAOYSA-N 1 0 425.529 3.687 50 0 IHAARO C[NH+](C)CCCn1c2sc3c(c2c(=O)n(CCc2ccccc2)c1=O)CCCCC3 ZINC000002436377 562927707 /nfs/dbraw/zinc/92/77/07/562927707.db2.gz BXTLZSOLVQDMAD-UHFFFAOYSA-N 1 0 425.598 3.688 50 0 IHAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2cc3cc(OC)ccc3oc2=O)cc1 ZINC000008609335 562957794 /nfs/dbraw/zinc/95/77/94/562957794.db2.gz YOJCNWWIGZCZPV-UHFFFAOYSA-N 1 0 438.480 3.553 50 0 IHAARO O=C(NCC[NH+]1CCCCC1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000008666496 562960510 /nfs/dbraw/zinc/96/05/10/562960510.db2.gz UKQYEONDIIEFPC-UHFFFAOYSA-N 1 0 428.373 3.785 50 0 IHAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cn3c(nnc3-c3ccc(Br)cc3)s2)C1 ZINC000008673473 562961246 /nfs/dbraw/zinc/96/12/46/562961246.db2.gz DOMSJUYBVBJFPO-AWEZNQCLSA-N 1 0 449.374 3.995 50 0 IHAARO CC[NH+](CC)CC(=O)Nc1ccccc1SCC(=O)Nc1ccsc1C(=O)OC ZINC000008857151 562965260 /nfs/dbraw/zinc/96/52/60/562965260.db2.gz IQWGPJOOIDZSEW-UHFFFAOYSA-N 1 0 435.571 3.546 50 0 IHAARO C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000008994077 562966515 /nfs/dbraw/zinc/96/65/15/562966515.db2.gz QEXWBIRRUXLCSK-GOSISDBHSA-N 1 0 446.547 3.830 50 0 IHAARO Cc1ccc2c(c1)N(CC(=O)NCCC[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)c1cccnc1O2 ZINC000009151474 562967815 /nfs/dbraw/zinc/96/78/15/562967815.db2.gz MCFSAZATPUZICJ-KDURUIRLSA-N 1 0 436.556 3.912 50 0 IHAARO C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000009449892 562971393 /nfs/dbraw/zinc/97/13/93/562971393.db2.gz QEXWBIRRUXLCSK-SFHVURJKSA-N 1 0 446.547 3.830 50 0 IHAARO CC(C)N(Cc1cnn(C)c1)C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000011938516 562979994 /nfs/dbraw/zinc/97/99/94/562979994.db2.gz ABZKZUPJETXUPH-UHFFFAOYSA-N 1 0 447.583 3.909 50 0 IHAARO Cc1cc(C[NH+]2CCC(CNS(=O)(=O)c3ccc(Br)s3)CC2)c(C)o1 ZINC000043954384 563121541 /nfs/dbraw/zinc/12/15/41/563121541.db2.gz WOXHEGONCOJZSB-UHFFFAOYSA-N 1 0 447.420 3.911 50 0 IHAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000004710612 568788760 /nfs/dbraw/zinc/78/87/60/568788760.db2.gz BBHXAAHRTHPFLA-HXUWFJFHSA-N 1 0 430.980 3.725 50 0 IHAARO Cc1c(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(=O)n(-c2ccccc2)n1C ZINC000084005334 568789683 /nfs/dbraw/zinc/78/96/83/568789683.db2.gz BFPXGAFMOWOYNV-WMZHIEFXSA-N 1 0 447.583 3.859 50 0 IHAARO CC[NH+]1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)Nc2ccc(OC)c(OC)c2)CC1 ZINC000015679728 568805672 /nfs/dbraw/zinc/80/56/72/568805672.db2.gz ZLQMEEASJWRAGV-UHFFFAOYSA-N 1 0 441.528 3.951 50 0 IHAARO O=C(c1c[nH]c2ccccc12)[C@@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 ZINC000032514148 568812335 /nfs/dbraw/zinc/81/23/35/568812335.db2.gz XVYGHATWTGJCCZ-QFIPXVFZSA-N 1 0 444.535 3.936 50 0 IHAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)C3CCN(c4nc5cccnc5s4)CC3)C2)cc1 ZINC000015770308 568822279 /nfs/dbraw/zinc/82/22/79/568822279.db2.gz JQFQHWJRKULWKV-FQEVSTJZSA-N 1 0 449.624 3.854 50 0 IHAARO CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C[NH2+][C@@H](C)c2cc(C)ccc2C)c1 ZINC000012999211 568897936 /nfs/dbraw/zinc/89/79/36/568897936.db2.gz FBDFSAZHSPTEKY-SFHVURJKSA-N 1 0 447.601 3.632 50 0 IHAARO CCn1c(SCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)nnc1-c1cccs1 ZINC000013010141 568899699 /nfs/dbraw/zinc/89/96/99/568899699.db2.gz VDATXUAKAJHTPL-KRWDZBQOSA-N 1 0 427.599 3.509 50 0 IHAARO NC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccccc2)C1 ZINC000239869310 568911947 /nfs/dbraw/zinc/91/19/47/568911947.db2.gz CYEBBBMBHFTKCX-NOZRDPDXSA-N 1 0 440.547 3.715 50 0 IHAARO C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N1CCC[C@H]1c1cccs1 ZINC000242317070 568912721 /nfs/dbraw/zinc/91/27/21/568912721.db2.gz YXBFPFFDICREKE-CJNGLKHVSA-N 1 0 442.006 3.816 50 0 IHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O ZINC000026942837 568927684 /nfs/dbraw/zinc/92/76/84/568927684.db2.gz VBDKSVYNEGAPON-UHFFFAOYSA-N 1 0 429.870 3.679 50 0 IHAARO COc1ccc(C[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C[C@@H]2CCCO2)cc1OC ZINC000036096096 568951126 /nfs/dbraw/zinc/95/11/26/568951126.db2.gz BTTKWFHJAVCJMO-FPOVZHCZSA-N 1 0 435.948 3.778 50 0 IHAARO COc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COCc2ccco2)cc1 ZINC000036102317 568952722 /nfs/dbraw/zinc/95/27/22/568952722.db2.gz HYORCFXROVBZTJ-HXUWFJFHSA-N 1 0 425.481 3.597 50 0 IHAARO CC(C)C[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@H](O)Cc1ccccc1 ZINC000036156540 568965459 /nfs/dbraw/zinc/96/54/59/568965459.db2.gz VKIHUHIZZGHJTG-GOSISDBHSA-N 1 0 425.598 3.925 50 0 IHAARO CC(C)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C[C@@H](C)O ZINC000169679257 568990858 /nfs/dbraw/zinc/99/08/58/568990858.db2.gz RVOIEJHYSPVKGM-DYESRHJHSA-N 1 0 434.577 3.731 50 0 IHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccccc3F)C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000036341101 569079208 /nfs/dbraw/zinc/07/92/08/569079208.db2.gz WEEOTSRHDZNXFO-JOCHJYFZSA-N 1 0 428.939 3.794 50 0 IHAARO Cc1ccc(Sc2nccnc2N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cc1 ZINC000065102566 569106083 /nfs/dbraw/zinc/10/60/83/569106083.db2.gz RIWWGVVXVVEPPT-UHFFFAOYSA-N 1 0 439.629 3.755 50 0 IHAARO COc1ccc(NC(=O)N2CCc3c2cccc3C(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000065210095 569116580 /nfs/dbraw/zinc/11/65/80/569116580.db2.gz FJXCTAFCVRZIKS-UHFFFAOYSA-N 1 0 436.556 3.896 50 0 IHAARO C[NH+](C)CCCNC(=O)C1CCN(c2nc3ccc(-c4ccsc4)nc3s2)CC1 ZINC000065272167 569128900 /nfs/dbraw/zinc/12/89/00/569128900.db2.gz WMHACKQOAUBBBD-UHFFFAOYSA-N 1 0 429.615 3.704 50 0 IHAARO CC(C)Cn1c2ccccc2n2nc(C(=O)NCCC3CC[NH+](C(C)C)CC3)cc2c1=O ZINC000065292418 569130706 /nfs/dbraw/zinc/13/07/06/569130706.db2.gz HLLLCQAIFAJWHW-UHFFFAOYSA-N 1 0 437.588 3.546 50 0 IHAARO C[C@H](Oc1ccc(C(=O)NCc2ccccc2CN2CC[NH+](C)CC2)cn1)c1ccccc1 ZINC000065551329 569139629 /nfs/dbraw/zinc/13/96/29/569139629.db2.gz GCEDOTLCKUFXOD-NRFANRHFSA-N 1 0 444.579 3.899 50 0 IHAARO CCN(CCC[NH+](CC)CC)C(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC000170607635 569144428 /nfs/dbraw/zinc/14/44/28/569144428.db2.gz DARXTXBPQKBVRU-UHFFFAOYSA-N 1 0 437.650 3.834 50 0 IHAARO O[C@@H](COCc1ccco1)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000169679101 569145590 /nfs/dbraw/zinc/14/55/90/569145590.db2.gz WDTGGJSRMKQODF-IRLDBZIGSA-N 1 0 438.499 3.992 50 0 IHAARO CCOCCOCc1cccc(NC(=O)N2C[C@@H](CC)[N@H+](CC(C)(C)O)C[C@@H]2CC)c1 ZINC000170619522 569147623 /nfs/dbraw/zinc/14/76/23/569147623.db2.gz MWMKNYZIZPTRMX-YADHBBJMSA-N 1 0 435.609 3.717 50 0 IHAARO C[NH+](C)[C@@H](CNC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)c1ccccc1 ZINC000009954329 569151037 /nfs/dbraw/zinc/15/10/37/569151037.db2.gz URURFWHGSHRFQT-KRWDZBQOSA-N 1 0 438.578 3.606 50 0 IHAARO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000089977226 569169394 /nfs/dbraw/zinc/16/93/94/569169394.db2.gz AXPCQQSIPRHGRX-IBGZPJMESA-N 1 0 428.529 3.545 50 0 IHAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCC(C(=O)c5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000002108023 569181369 /nfs/dbraw/zinc/18/13/69/569181369.db2.gz ATJMZTVSABUEJR-OQGWSESMSA-N 1 0 437.580 3.866 50 0 biogenic IHAARO CCOc1cc(/C=C\C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc(Cl)c1OC ZINC000252452410 569184166 /nfs/dbraw/zinc/18/41/66/569184166.db2.gz HCNXHAAQEFNLEU-GLOCKGMSSA-N 1 0 436.980 3.861 50 0 IHAARO CC[NH+](CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(OC)c1OC ZINC000002400475 569299497 /nfs/dbraw/zinc/29/94/97/569299497.db2.gz PZPGBUWEXDLINY-OAQYLSRUSA-N 1 0 436.508 3.697 50 0 IHAARO CC1(C)Cc2c3c(nc(N4CCCC4)c2CO1)sc1c3ncnc1NCCCC[NH3+] ZINC000002420594 569302018 /nfs/dbraw/zinc/30/20/18/569302018.db2.gz VGFACKVWYIPLOH-UHFFFAOYSA-N 1 0 426.590 3.842 50 0 IHAARO O=C(NC1CCCCC1)N1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000020347431 569361080 /nfs/dbraw/zinc/36/10/80/569361080.db2.gz NUEGGNMLLLYYCW-NRFANRHFSA-N 1 0 434.584 3.815 50 0 IHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C2CCN(C(=O)c3cc4sccc4n3C)CC2)C1 ZINC000020383055 569362710 /nfs/dbraw/zinc/36/27/10/569362710.db2.gz DHBODTMLNCWNLZ-QZTJIDSGSA-N 1 0 444.645 3.576 50 0 IHAARO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCc1nnc(C(=O)NCc2ccc(C)cc2)s1 ZINC000095946105 569376095 /nfs/dbraw/zinc/37/60/95/569376095.db2.gz AMJMOUZGVXPIDZ-PMACEKPBSA-N 1 0 429.634 3.767 50 0 IHAARO CS[C@@H]1CN(C(=O)Nc2cccc(COCCOc3ccccc3)c2)C[C@H]1[NH+](C)C ZINC000095996500 569378711 /nfs/dbraw/zinc/37/87/11/569378711.db2.gz CWXTUUJFTIGVFC-FGZHOGPDSA-N 1 0 429.586 3.792 50 0 IHAARO CCOc1cc(/C=C\C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(Cl)c1OC ZINC000096102427 569381871 /nfs/dbraw/zinc/38/18/71/569381871.db2.gz HCNXHAAQEFNLEU-SWCWDLSFSA-N 1 0 436.980 3.861 50 0 IHAARO O=C(C[C@@H]1COc2ccccc2N1Cc1ccc(F)cc1)NCC[NH+]1CCCCCC1 ZINC000096323067 569394996 /nfs/dbraw/zinc/39/49/96/569394996.db2.gz ABCXDVNQWAOLJO-JOCHJYFZSA-N 1 0 425.548 3.976 50 0 IHAARO O=C(c1cc2c(s1)CC[C@@H](C(=O)N1CC[NH+](C3CCCC3)CC1)C2)N1CCCCC1 ZINC000096398396 569399711 /nfs/dbraw/zinc/39/97/11/569399711.db2.gz BWHJNDQNTJHOHP-GOSISDBHSA-N 1 0 429.630 3.566 50 0 IHAARO Cc1sc2ccn(Cc3ccc(F)cc3)c(=O)c2c1C(=O)NCC[NH+]1CCCCC1 ZINC000097161472 569403221 /nfs/dbraw/zinc/40/32/21/569403221.db2.gz MBUKNYZILZAIIX-UHFFFAOYSA-N 1 0 427.545 3.775 50 0 IHAARO O=C(Cn1cnc2ccccc21)N1CCC([N@@H+]2CCC[C@H]2COCc2ccccc2)CC1 ZINC000225631213 569406151 /nfs/dbraw/zinc/40/61/51/569406151.db2.gz XJEITTHDJFIAMS-QHCPKHFHSA-N 1 0 432.568 3.709 50 0 IHAARO Cc1ccc([C@H]([NH2+]CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)cc1 ZINC000057380640 569432581 /nfs/dbraw/zinc/43/25/81/569432581.db2.gz WCROMFFJWBYATL-XMMPIXPASA-N 1 0 431.492 3.794 50 0 IHAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(F)cc3)C[C@H]1[C@@H](C(=O)NCc1ccco1)C2 ZINC000230128952 569438865 /nfs/dbraw/zinc/43/88/65/569438865.db2.gz FJCDEONHGRMNGD-ZCYQVOJMSA-N 1 0 449.526 3.607 50 0 IHAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(F)cc3)C[C@H]1[C@H](C(=O)NCCC(C)C)C2 ZINC000230138138 569439243 /nfs/dbraw/zinc/43/92/43/569439243.db2.gz AXKNWRFWJZUYRW-NOZRDPDXSA-N 1 0 439.575 3.860 50 0 IHAARO C[N@H+](CCCNC(=S)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3)Cc1ccccc1 ZINC000003645916 569455652 /nfs/dbraw/zinc/45/56/52/569455652.db2.gz DJPRLBXYMGGWJK-UHFFFAOYSA-N 1 0 449.624 3.931 50 0 IHAARO Cc1cccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@H](O)[C@H]34)CC2)c1C ZINC000059409684 569461190 /nfs/dbraw/zinc/46/11/90/569461190.db2.gz IYVNGAUMUARQSV-ATRPRCRCSA-N 1 0 438.612 3.710 50 0 biogenic IHAARO CN(C(=O)c1csc(NC(=O)c2cccc(C(F)(F)F)c2)n1)C1CC[NH+](C)CC1 ZINC000040355577 569499834 /nfs/dbraw/zinc/49/98/34/569499834.db2.gz VOQBYYFMVZEEIQ-UHFFFAOYSA-N 1 0 426.464 3.580 50 0 IHAARO COc1cccc(C[N@H+](C[C@@H](O)COC(C)(C)C)C[C@H]2CC(c3ccccc3)=NO2)c1 ZINC000245279917 569502055 /nfs/dbraw/zinc/50/20/55/569502055.db2.gz JPJKNEIDNDKGRE-FYYLOGMGSA-N 1 0 426.557 3.866 50 0 IHAARO CC(C)(C)[NH2+]CCNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000069369565 569502587 /nfs/dbraw/zinc/50/25/87/569502587.db2.gz UHUMDOSMBWHHOT-UHFFFAOYSA-N 1 0 425.602 3.991 50 0 IHAARO C[N@H+](CCNC(=O)CN1c2cc(Cl)ccc2Oc2ncccc2C1=O)C1CCCCC1 ZINC000009151511 569507541 /nfs/dbraw/zinc/50/75/41/569507541.db2.gz KTYLEXSVCOTOAS-UHFFFAOYSA-N 1 0 442.947 3.868 50 0 IHAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000009211681 569511848 /nfs/dbraw/zinc/51/18/48/569511848.db2.gz AQOADTAIHUCZCT-UHFFFAOYSA-N 1 0 443.526 3.980 50 0 IHAARO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O ZINC000070006492 569527998 /nfs/dbraw/zinc/52/79/98/569527998.db2.gz TYJNLJNVJBONJI-FQEVSTJZSA-N 1 0 447.579 3.910 50 0 IHAARO Cc1nn(C)c2nc(C)c(CCC(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)c(C)c12 ZINC000009408618 569530646 /nfs/dbraw/zinc/53/06/46/569530646.db2.gz HQSSYPMHHOFLQT-UHFFFAOYSA-N 1 0 447.627 3.897 50 0 IHAARO CC[NH+](CC)CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1cccs1 ZINC000009432582 569534405 /nfs/dbraw/zinc/53/44/05/569534405.db2.gz INKUILVFSICMBI-VXKWHMMOSA-N 1 0 443.613 3.523 50 0 IHAARO COc1ccc([C@@H](CNC(=O)C2CCN(C(=O)c3cccs3)CC2)[NH+]2CCCC2)cc1 ZINC000009498106 569541337 /nfs/dbraw/zinc/54/13/37/569541337.db2.gz ZKFRPHGXZRWXHU-OAQYLSRUSA-N 1 0 441.597 3.562 50 0 IHAARO CCS(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3c(cccc3F)s2)cc1 ZINC000009707969 569561813 /nfs/dbraw/zinc/56/18/13/569561813.db2.gz ODAPBRXJRJZGQB-UHFFFAOYSA-N 1 0 449.573 3.828 50 0 IHAARO O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000071874873 569582628 /nfs/dbraw/zinc/58/26/28/569582628.db2.gz LNTLWKOGZRQNAX-INIZCTEOSA-N 1 0 430.902 3.667 50 0 IHAARO COc1ccc(Br)c(C(=O)NC[C@@H](c2cn(C)c3ccccc23)[NH+](C)C)c1 ZINC000077171672 569585753 /nfs/dbraw/zinc/58/57/53/569585753.db2.gz VNUCTGVAQAIDJY-FQEVSTJZSA-N 1 0 430.346 3.982 50 0 IHAARO COCC(=O)N1C[C@@H](c2ccccc2OC)[C@H](C[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000034698550 569587564 /nfs/dbraw/zinc/58/75/64/569587564.db2.gz VKGUOYYXVPIHIL-ILBGXUMGSA-N 1 0 436.596 3.838 50 0 IHAARO Cn1c(CC[NH+]2CCN(c3ccc(F)cc3)CC2)nc2cc(NC(=O)c3ccco3)ccc21 ZINC000002326279 132252265 /nfs/dbraw/zinc/25/22/65/132252265.db2.gz BGSGOOXGCUTSNH-UHFFFAOYSA-N 1 0 447.514 3.922 50 0 IHAARO CCOc1ccc(C[NH+]2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1 ZINC000004608551 132272624 /nfs/dbraw/zinc/27/26/24/132272624.db2.gz OMJRROWKULEPNZ-UHFFFAOYSA-N 1 0 425.548 3.785 50 0 IHAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cccc(OC(C)C)c2)CC1 ZINC000004711728 132272954 /nfs/dbraw/zinc/27/29/54/132272954.db2.gz XEUVHORZGJLSMJ-UHFFFAOYSA-N 1 0 425.529 3.655 50 0 IHAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(OC(C)C)cc2)CC1 ZINC000004711726 132273006 /nfs/dbraw/zinc/27/30/06/132273006.db2.gz PCHIEMDPJZRVJZ-UHFFFAOYSA-N 1 0 425.529 3.655 50 0 IHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3N3CCCC3=O)cc2)CC1 ZINC000008156484 132281014 /nfs/dbraw/zinc/28/10/14/132281014.db2.gz WIHYCHZHTNOGOM-UHFFFAOYSA-N 1 0 426.948 3.861 50 0 IHAARO CCOc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3cccc(OC)c3)CC2)CC1 ZINC000008916623 132298081 /nfs/dbraw/zinc/29/80/81/132298081.db2.gz GCFYLIBTGJRKSO-UHFFFAOYSA-N 1 0 437.584 3.655 50 0 IHAARO CC(C)[N@H+](CCCNC(=O)CCC(=O)N1C[C@H](C)Oc2ccccc21)Cc1ccccc1 ZINC000009287133 132312623 /nfs/dbraw/zinc/31/26/23/132312623.db2.gz RJONBIOOMFUSBU-NRFANRHFSA-N 1 0 437.584 3.998 50 0 IHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cn4nnc5ccccc54)cc3)cc2)CC1 ZINC000009548516 132321205 /nfs/dbraw/zinc/32/12/05/132321205.db2.gz VOEOZXARZMTZBR-UHFFFAOYSA-N 1 0 440.551 3.874 50 0 IHAARO CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000012558251 519481468 /nfs/dbraw/zinc/48/14/68/519481468.db2.gz HBMVPHMXYNLFKA-QHCPKHFHSA-N 1 0 438.959 3.995 50 0 IHAARO CC(C)[N@H+](CCCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)Cc1ccccc1 ZINC000021888105 519643453 /nfs/dbraw/zinc/64/34/53/519643453.db2.gz GZAMQCSNLIYPJG-UHFFFAOYSA-N 1 0 429.586 3.540 50 0 IHAARO CC(C)[NH+](CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C)C2)c1)C(C)C ZINC000012745089 519647943 /nfs/dbraw/zinc/64/79/43/519647943.db2.gz RNQKZVOPCCMEFS-KRWDZBQOSA-N 1 0 444.041 3.609 50 0 IHAARO CC(C)[NH+]1CCN(C(=O)CCc2nc(-c3ccc(N4CCCCCC4)cc3)no2)CC1 ZINC000033283666 519678601 /nfs/dbraw/zinc/67/86/01/519678601.db2.gz KJXRSVXSXKMWDS-UHFFFAOYSA-N 1 0 425.577 3.602 50 0 IHAARO CC(C)C[NH+]1CCC2(CC1)C(=O)N(CCCc1cccnc1)C(=O)N2Cc1ccccc1 ZINC000014745798 519720691 /nfs/dbraw/zinc/72/06/91/519720691.db2.gz GPLGEQSXXOCJSF-UHFFFAOYSA-N 1 0 434.584 3.969 50 0 IHAARO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 ZINC000020997324 520466284 /nfs/dbraw/zinc/46/62/84/520466284.db2.gz ORDNBALEHJLBIG-UHFFFAOYSA-N 1 0 447.579 3.872 50 0 IHAARO CCOC(=O)N1CCC(N(CC[NH+](C)C)C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000020724232 520923669 /nfs/dbraw/zinc/92/36/69/520923669.db2.gz YLSIUWLFCOFXKS-UHFFFAOYSA-N 1 0 446.539 3.887 50 0 IHAARO CC1CC[NH+](CCCNC(=O)C2CCN(c3ncc(-c4ccc(F)cc4)cn3)CC2)CC1 ZINC000035455261 521003309 /nfs/dbraw/zinc/00/33/09/521003309.db2.gz SOQCYJODFYMYAT-UHFFFAOYSA-N 1 0 439.579 3.737 50 0 IHAARO CCOC(=O)c1c(C)c(CCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)n(C)c1C ZINC000035446526 521391263 /nfs/dbraw/zinc/39/12/63/521391263.db2.gz FPXLXEQGQUIFSN-UHFFFAOYSA-N 1 0 425.573 3.532 50 0 IHAARO CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035871439 521747092 /nfs/dbraw/zinc/74/70/92/521747092.db2.gz UNUUSPPVXPCZOS-PZJWPPBQSA-N 1 0 435.465 3.844 50 0 IHAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1)c1cccc(F)c1 ZINC000022754766 522023036 /nfs/dbraw/zinc/02/30/36/522023036.db2.gz RSNWLXWFLKUCMT-QHCPKHFHSA-N 1 0 430.483 3.558 50 0 IHAARO C[NH+](C)[C@H](CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccs1 ZINC000012557136 522084711 /nfs/dbraw/zinc/08/47/11/522084711.db2.gz CGZQEGMGDUGULT-LJQANCHMSA-N 1 0 429.567 3.582 50 0 IHAARO COC(=O)c1cnn(-c2ccc(C(=O)Nc3ccc(C[NH+]4CCC(C)CC4)cc3)cc2)c1N ZINC000021115680 522353004 /nfs/dbraw/zinc/35/30/04/522353004.db2.gz SMUBGVLQGDQCSD-UHFFFAOYSA-N 1 0 447.539 3.725 50 0 IHAARO COC[C@H]1CCC[N@H+](Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)C1 ZINC000012317820 522831447 /nfs/dbraw/zinc/83/14/47/522831447.db2.gz DSDIRFAGJKYVRG-QFIPXVFZSA-N 1 0 434.584 3.816 50 0 IHAARO COCc1ccc(C[NH+]2CCC(CCC(=O)N3CCN(c4ccccc4)CC3)CC2)o1 ZINC000012308873 522973242 /nfs/dbraw/zinc/97/32/42/522973242.db2.gz VFGRINSIKBHPSC-UHFFFAOYSA-N 1 0 425.573 3.767 50 0 IHAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCCC3 ZINC000021352188 523020044 /nfs/dbraw/zinc/02/00/44/523020044.db2.gz MMAHQEOVTDMSTL-KRWDZBQOSA-N 1 0 444.645 3.957 50 0 IHAARO COc1cc2nc(-c3ccccc3)nc(N3CCN(CC[NH+]4CCCC4)CC3)c2cc1OC ZINC000022784006 523061831 /nfs/dbraw/zinc/06/18/31/523061831.db2.gz CXGGJMQFDSZKCZ-UHFFFAOYSA-N 1 0 447.583 3.532 50 0 IHAARO COc1ccc(C(=O)NC2CC2)cc1OC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000012578572 523684380 /nfs/dbraw/zinc/68/43/80/523684380.db2.gz GBYALOZGRALYBP-UHFFFAOYSA-N 1 0 437.540 3.589 50 0 IHAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(Cc3nc4cc(F)ccc4[nH]3)C2)cc1OC ZINC000022851154 523941418 /nfs/dbraw/zinc/94/14/18/523941418.db2.gz WWUCODVWONVCCD-IBGZPJMESA-N 1 0 426.536 3.858 50 0 IHAARO CCc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CN2CC[NH+](CC)CC2)cc1 ZINC000020784666 524040284 /nfs/dbraw/zinc/04/02/84/524040284.db2.gz BGFKNALBIOFMDI-HHHXNRCGSA-N 1 0 430.596 3.842 50 0 IHAARO C[NH+](C)CCCN1C(=O)CC[C@@H]2CN(C(=O)c3ccc(-c4cccc(F)c4)cc3)CC[C@@H]21 ZINC000012184391 524055893 /nfs/dbraw/zinc/05/58/93/524055893.db2.gz NWMZOEBCXABSFE-VWNXMTODSA-N 1 0 437.559 3.898 50 0 IHAARO C[NH+](C)CCN(C(=O)COc1ccc(Cl)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000012140823 524059151 /nfs/dbraw/zinc/05/91/51/524059151.db2.gz SAGKCSNYEBQCKE-UHFFFAOYSA-N 1 0 447.944 3.695 50 0 IHAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)C2CCN(C(C)=O)CC2)CC1 ZINC000012713543 524446599 /nfs/dbraw/zinc/44/65/99/524446599.db2.gz RWEFNUOTWRRAKO-UHFFFAOYSA-N 1 0 443.632 3.650 50 0 IHAARO C[C@H](Cc1cccnc1)NC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000012437598 524742495 /nfs/dbraw/zinc/74/24/95/524742495.db2.gz VFNNUMFQZZHJKT-HXUWFJFHSA-N 1 0 430.552 3.881 50 0 IHAARO Cc1ccc(N2CC[NH+](C[C@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@@H]43)CC2)c(C)c1 ZINC000070686472 524964345 /nfs/dbraw/zinc/96/43/45/524964345.db2.gz SVKLPRDZURGQKV-STVSDHCOSA-N 1 0 438.612 3.710 50 0 IHAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2ccc3n[nH]nc3c2)CC1 ZINC000012301998 525134489 /nfs/dbraw/zinc/13/44/89/525134489.db2.gz PPPMEMRTDKFSFX-HSZRJFAPSA-N 1 0 447.583 3.800 50 0 IHAARO COc1ccc([C@@H](CNC(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)[NH+](C)C)cc1 ZINC000021912295 525188223 /nfs/dbraw/zinc/18/82/23/525188223.db2.gz RZMITFYUBPRTKZ-LJQANCHMSA-N 1 0 441.553 3.869 50 0 IHAARO COc1ccc([C@@H](CNC(=O)c2cccc(CN3CCCC3=O)c2)[NH+]2CCCCC2)cc1 ZINC000012911278 525188481 /nfs/dbraw/zinc/18/84/81/525188481.db2.gz AQXIJHMJPNCONF-XMMPIXPASA-N 1 0 435.568 3.775 50 0 IHAARO COc1ccc([C@H]2CCCN2CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000012796479 525412347 /nfs/dbraw/zinc/41/23/47/525412347.db2.gz ZJPPRXSDTXOVTM-XMMPIXPASA-N 1 0 437.584 3.622 50 0 IHAARO Cc1ccsc1C(=O)N(Cc1ccncc1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000020668167 525818887 /nfs/dbraw/zinc/81/88/87/525818887.db2.gz YVNPOHSIZLOWOB-UHFFFAOYSA-N 1 0 426.630 3.900 50 0 IHAARO Cc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cc1NS(C)(=O)=O ZINC000012521268 526178551 /nfs/dbraw/zinc/17/85/51/526178551.db2.gz YUFRNVWDTCHPAM-LJQANCHMSA-N 1 0 435.615 3.631 50 0 IHAARO Fc1cc(F)cc(-n2ncc3c2CCC[C@@H]3[NH2+]Cc2cnc(N3CCOCC3)s2)c1 ZINC000012592608 526305565 /nfs/dbraw/zinc/30/55/65/526305565.db2.gz MKSIRQJYWLSEEK-IBGZPJMESA-N 1 0 431.512 3.611 50 0 IHAARO O=C(CCC1CCN(C(=O)c2cccc(F)c2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012718985 526407916 /nfs/dbraw/zinc/40/79/16/526407916.db2.gz TVCORYFCJYUHEX-DEOSSOPVSA-N 1 0 437.559 3.849 50 0 IHAARO Cc1nnsc1C(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000012386736 526440048 /nfs/dbraw/zinc/44/00/48/526440048.db2.gz MECXNSDXRSXTET-NRFANRHFSA-N 1 0 428.602 3.688 50 0 IHAARO O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000012875632 526581543 /nfs/dbraw/zinc/58/15/43/526581543.db2.gz ULDJZODPCCYPEU-GBXCKJPGSA-N 1 0 431.536 3.663 50 0 IHAARO Cc1nc(N2CCN(C(=O)c3ccccc3Br)CC2)cc(N2CCCCC2)[nH+]1 ZINC000021793732 526964371 /nfs/dbraw/zinc/96/43/71/526964371.db2.gz HUBKEAFJVZMCBY-UHFFFAOYSA-N 1 0 444.377 3.500 50 0 IHAARO Cn1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)COc3ccccc3C(C)(C)C)ccc21 ZINC000022822107 527056127 /nfs/dbraw/zinc/05/61/27/527056127.db2.gz UFUOHTSITMJWOK-UHFFFAOYSA-N 1 0 449.599 3.636 50 0 IHAARO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@H](C(=O)Nc2cccc(-n3cccn3)c2)C1 ZINC000012590575 527173096 /nfs/dbraw/zinc/17/30/96/527173096.db2.gz LCUSPNMUPCUCCZ-IBGZPJMESA-N 1 0 426.524 3.975 50 0 IHAARO O=C(Cc1ccc(N2CCC([NH+]3CCSCC3)CC2)cc1)NCCc1cccc(F)c1 ZINC000012247522 527234483 /nfs/dbraw/zinc/23/44/83/527234483.db2.gz SLIMAIITQPPAFW-UHFFFAOYSA-N 1 0 441.616 3.745 50 0 IHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cn(Cc2ccc(F)cc2Cl)nn1 ZINC000012094039 527530954 /nfs/dbraw/zinc/53/09/54/527530954.db2.gz TYEDLVGZBNDVJS-UHFFFAOYSA-N 1 0 427.911 3.513 50 0 IHAARO Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012705453 527540432 /nfs/dbraw/zinc/54/04/32/527540432.db2.gz PQHBGNOYRJKECW-QHCPKHFHSA-N 1 0 428.580 3.780 50 0 IHAARO OCC[NH+]1CCN(c2cc(-c3ccccc3)nc3c(-c4ccc(Cl)cc4)cnn32)CC1 ZINC000020566072 527553183 /nfs/dbraw/zinc/55/31/83/527553183.db2.gz GKIKIUKKCFXAHS-UHFFFAOYSA-N 1 0 433.943 3.831 50 0 IHAARO CCCC[N@H+](C)CCCNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000003670386 535217219 /nfs/dbraw/zinc/21/72/19/535217219.db2.gz NZDSMFKKPRVUTA-HSZRJFAPSA-N 1 0 444.963 3.775 50 0 IHAARO CC[NH+](CC)CCNC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1 ZINC000004034419 535537288 /nfs/dbraw/zinc/53/72/88/535537288.db2.gz ZCUPOLWRUCJKLR-VWNXMTODSA-N 1 0 441.547 3.777 50 0 IHAARO COc1cc(C[N@@H+]2CCCN(c3ccc(NC(=O)C(C)(C)C)cn3)CC2)cc(OC)c1 ZINC000034681841 555815292 /nfs/dbraw/zinc/81/52/92/555815292.db2.gz UXYVITOLXJCQQG-UHFFFAOYSA-N 1 0 426.561 3.796 50 0 IHAARO O=C(COc1ccccc1)Nc1ccc(N2CCC[N@@H+](Cc3ccccc3F)CC2)nc1 ZINC000034681983 555815684 /nfs/dbraw/zinc/81/56/84/555815684.db2.gz QBKYRKDNLKXCNE-UHFFFAOYSA-N 1 0 434.515 3.951 50 0 IHAARO Cc1ccc(N2C[C@@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC2=O)cc1Cl ZINC000034915993 555930194 /nfs/dbraw/zinc/93/01/94/555930194.db2.gz MENAPANYDAXDDZ-IBGZPJMESA-N 1 0 425.960 3.782 50 0 IHAARO COc1ccc(OC)c([N+]2=C3CCCCCN3C[C@]2(O)c2ccc(OC(F)F)cc2)c1 ZINC000004528730 555999613 /nfs/dbraw/zinc/99/96/13/555999613.db2.gz CQFPOFPEQAJVGR-QHCPKHFHSA-N 1 0 433.475 3.956 50 0 IHAARO COc1ccccc1CC[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 ZINC000013719416 556288676 /nfs/dbraw/zinc/28/86/76/556288676.db2.gz BAGYUMFMKCVMMD-UHFFFAOYSA-N 1 0 431.496 3.804 50 0 IHAARO Cc1nnc(SCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)n1Cc1ccccc1 ZINC000032761626 556331597 /nfs/dbraw/zinc/33/15/97/556331597.db2.gz DNLKELHECBNPIC-IBGZPJMESA-N 1 0 441.626 3.742 50 0 IHAARO CC1CC[NH+](Cc2ccc(CNC(=O)CN3C(=O)COc4ccc(Cl)cc43)cc2)CC1 ZINC000032769523 556334193 /nfs/dbraw/zinc/33/41/93/556334193.db2.gz UMJBXCNUPLKPAX-UHFFFAOYSA-N 1 0 441.959 3.614 50 0 IHAARO COc1cc(C[NH+]2CCC(C(=O)NCc3ccccc3Cl)CC2)cc(OC)c1OC ZINC000013943032 556340707 /nfs/dbraw/zinc/34/07/07/556340707.db2.gz VLEUGTOKOLUCKC-UHFFFAOYSA-N 1 0 432.948 3.894 50 0 IHAARO CN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)CC[C@@]1(Cc2ccco2)CCC(=O)N1 ZINC000011783427 556351859 /nfs/dbraw/zinc/35/18/59/556351859.db2.gz MIIXYABNRDSKOE-AREMUKBSSA-N 1 0 437.584 3.622 50 0 IHAARO COc1ccc(C(=O)N(C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)c(OC)n1 ZINC000011813502 556356780 /nfs/dbraw/zinc/35/67/80/556356780.db2.gz XPAJVGUMYHHAIE-UHFFFAOYSA-N 1 0 431.964 3.779 50 0 IHAARO O=C(c1nc2ccc(Cl)cn2c1C[NH2+]CCCn1ccnc1)N1CCc2ccccc2C1 ZINC000011819794 556361962 /nfs/dbraw/zinc/36/19/62/556361962.db2.gz KAEYRHXEBNLWRM-UHFFFAOYSA-N 1 0 448.958 3.563 50 0 IHAARO Cc1cccnc1CCNC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000011821786 556362944 /nfs/dbraw/zinc/36/29/44/556362944.db2.gz VVTRYGYMHVWCID-UHFFFAOYSA-N 1 0 430.552 3.801 50 0 IHAARO CCOC(=O)c1ccc(CN2C(=O)CC[C@@H]2CC[NH2+]Cc2cc3c(cc2Cl)OCO3)o1 ZINC000011872761 556369532 /nfs/dbraw/zinc/36/95/32/556369532.db2.gz HTVPOUSOPZURBY-OAHLLOKOSA-N 1 0 448.903 3.509 50 0 IHAARO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)c1ccc(Cl)cc1 ZINC000014118611 556371549 /nfs/dbraw/zinc/37/15/49/556371549.db2.gz LIJXFYIGMRQBPY-OLZOCXBDSA-N 1 0 444.384 3.922 50 0 IHAARO Cc1csc2nc(CN3C(=O)CC[C@H]3CC[NH2+]Cc3cc4c(cc3Cl)OCO4)cn12 ZINC000011881807 556373274 /nfs/dbraw/zinc/37/32/74/556373274.db2.gz SMFZLLIWXTXRPA-INIZCTEOSA-N 1 0 446.960 3.757 50 0 IHAARO COCCN(Cc1c(C)nn(C)c1Cl)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011951573 556380441 /nfs/dbraw/zinc/38/04/41/556380441.db2.gz VOUZHTZOEYEAJF-LJQANCHMSA-N 1 0 431.024 3.710 50 0 IHAARO CC[C@@H](C)C(=O)NCc1nnc2n1CC[N@@H+](Cc1ccc(-c3ccccc3C)cc1)CC2 ZINC000011983218 556383563 /nfs/dbraw/zinc/38/35/63/556383563.db2.gz NYQASJGHEVZOMJ-LJQANCHMSA-N 1 0 431.584 3.974 50 0 IHAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CCC4)c2C)C1 ZINC000012052173 556392838 /nfs/dbraw/zinc/39/28/38/556392838.db2.gz PNHWAENXUNNNLE-OAQYLSRUSA-N 1 0 444.583 3.683 50 0 IHAARO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)N1CCN(c2ccccn2)CC1 ZINC000012054911 556393896 /nfs/dbraw/zinc/39/38/96/556393896.db2.gz WHFRBDIHZRVKJC-IBGZPJMESA-N 1 0 428.527 3.701 50 0 IHAARO COCCNC(=O)c1ccc(OC2CC[NH+](Cc3ccccc3OC)CC2)c(Cl)c1 ZINC000012056429 556394126 /nfs/dbraw/zinc/39/41/26/556394126.db2.gz SEPWAUAFHYYULR-UHFFFAOYSA-N 1 0 432.948 3.768 50 0 IHAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C(=O)c3csc(C(C)=O)c3)C2)cc1OC ZINC000012057172 556394588 /nfs/dbraw/zinc/39/45/88/556394588.db2.gz ULVXRMJLXKLAQP-LJQANCHMSA-N 1 0 430.570 3.747 50 0 IHAARO Cc1ccccc1CN1C[C@@H]2C[C@@H](c3ccc(Sc4nncn4C)o3)[N@H+]3CCC[C@@]23C1=O ZINC000012058610 556395143 /nfs/dbraw/zinc/39/51/43/556395143.db2.gz CCQRMUBZCQZSGY-JXQFQVJHSA-N 1 0 449.580 3.806 50 0 IHAARO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+](Cc2ccc(Sc3nncn3C)o2)C1 ZINC000012075239 556397231 /nfs/dbraw/zinc/39/72/31/556397231.db2.gz WSRFZMXQBKCPKA-QHCPKHFHSA-N 1 0 440.569 3.947 50 0 IHAARO O=C1N(Cc2cccc(Cl)c2)C[C@@H]2C[C@@H](c3cccc(OCCO)c3)[N@H+]3CCC[C@@]123 ZINC000012090256 556401987 /nfs/dbraw/zinc/40/19/87/556401987.db2.gz QOKHGMOVKCVIOI-APTRMMRNSA-N 1 0 426.944 3.649 50 0 IHAARO CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000032674832 556415535 /nfs/dbraw/zinc/41/55/35/556415535.db2.gz DWTGYUIJOCFICN-VOJVFWIESA-N 1 0 437.628 3.734 50 0 IHAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000032666363 556417510 /nfs/dbraw/zinc/41/75/10/556417510.db2.gz CQYVPXRBQBEHRA-IZZDOVSWSA-N 1 0 427.932 3.920 50 0 IHAARO CN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+](Cc1ccc(O)cc1)CC2 ZINC000014744960 556440668 /nfs/dbraw/zinc/44/06/68/556440668.db2.gz VOTXBYPISNBFNO-UHFFFAOYSA-N 1 0 429.520 3.974 50 0 IHAARO Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(Br)cc3o2)[NH+](C)C)cc1 ZINC000028290768 556449757 /nfs/dbraw/zinc/44/97/57/556449757.db2.gz AHYVTZLJZOVDBA-QGZVFWFLSA-N 1 0 429.314 3.897 50 0 IHAARO Cc1ccc(-n2ccc(=O)c(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCCC3)n2)cc1C ZINC000028292799 556450683 /nfs/dbraw/zinc/45/06/83/556450683.db2.gz QHIFNOGAIWSOMR-HSZRJFAPSA-N 1 0 430.552 3.806 50 0 IHAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)O1)[C@H]1CCCO1 ZINC000014879161 556452469 /nfs/dbraw/zinc/45/24/69/556452469.db2.gz MZBDLDWGPWRXOH-RBUKOAKNSA-N 1 0 426.479 3.514 50 0 IHAARO C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@@H+](C/C=C/c1ccccc1)CC2 ZINC000014992345 556475587 /nfs/dbraw/zinc/47/55/87/556475587.db2.gz ZVURMIMNMCSOSV-CDDKBXLESA-N 1 0 429.568 3.660 50 0 IHAARO O=c1c2c(ncn1Cc1ccncc1)sc1c2CC[C@@H]([NH2+]Cc2ccc(F)cc2F)C1 ZINC000015003157 556480504 /nfs/dbraw/zinc/48/05/04/556480504.db2.gz WCEJHJFTYKXLCI-QGZVFWFLSA-N 1 0 438.503 3.827 50 0 IHAARO Cc1ccc(C[NH2+]Cc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3ccc(Cl)cn32)cc1F ZINC000015041876 556489775 /nfs/dbraw/zinc/48/97/75/556489775.db2.gz SQGOLGHVJYXPEI-IYBDPMFKSA-N 1 0 444.938 3.974 50 0 IHAARO C[NH+](C)[C@H]1CCN(C(=O)c2cnn(-c3nccc(-c4cc5ccccc5o4)n3)c2C2CC2)C1 ZINC000015070874 556495729 /nfs/dbraw/zinc/49/57/29/556495729.db2.gz KSJCFOYAENKKRL-SFHVURJKSA-N 1 0 442.523 3.729 50 0 IHAARO O=C(c1cc(C2CC2)n[nH]1)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000015075261 556498827 /nfs/dbraw/zinc/49/88/27/556498827.db2.gz VQFIHSRXJZKAIR-IBGZPJMESA-N 1 0 447.505 3.733 50 0 IHAARO COc1cc(-c2nc(CN3CCN(c4cc(C)[nH+]c(C)c4)CC3)c(C)o2)cc2c1OCO2 ZINC000015077837 556499914 /nfs/dbraw/zinc/49/99/14/556499914.db2.gz QOBHKXDTXYPYJD-UHFFFAOYSA-N 1 0 436.512 3.721 50 0 IHAARO CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)Cn1c(=O)oc2ccccc21 ZINC000015080705 556501070 /nfs/dbraw/zinc/50/10/70/556501070.db2.gz IUXPJUWHINJPPK-UHFFFAOYSA-N 1 0 441.959 3.661 50 0 IHAARO CCOc1cccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c1OCc1cccs1 ZINC000015356874 556522847 /nfs/dbraw/zinc/52/28/47/556522847.db2.gz RGBKEDHDSBOGGE-UHFFFAOYSA-N 1 0 446.594 3.706 50 0 IHAARO COc1ccc(CC[NH+]2CCN(c3ncccc3C(=O)N3CCc4ccccc43)CC2)cc1 ZINC000072301818 556525159 /nfs/dbraw/zinc/52/51/59/556525159.db2.gz WCNWMYCKAPNRJN-UHFFFAOYSA-N 1 0 442.563 3.658 50 0 IHAARO Cc1c(C[NH+]2CCC(CO)(CCOc3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000013593789 556531717 /nfs/dbraw/zinc/53/17/17/556531717.db2.gz AOSUOTRRTBSOHF-UHFFFAOYSA-N 1 0 435.568 3.528 50 0 IHAARO CCOc1ccc(N2C[C@H](C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)CC2=O)cc1 ZINC000015614171 556538257 /nfs/dbraw/zinc/53/82/57/556538257.db2.gz FIPIXHLHJSDSRO-JOCHJYFZSA-N 1 0 435.568 3.741 50 0 IHAARO Cc1nc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000015671202 556542285 /nfs/dbraw/zinc/54/22/85/556542285.db2.gz ZBCMRZKGPHYHJD-UHFFFAOYSA-N 1 0 433.478 3.757 50 0 IHAARO C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000072309572 556572168 /nfs/dbraw/zinc/57/21/68/556572168.db2.gz UXLGUCLCGGTVPC-MOPGFXCFSA-N 1 0 433.593 3.506 50 0 IHAARO O[C@@H](COc1ccc(F)cc1)C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(F)cc1 ZINC000002075167 556574802 /nfs/dbraw/zinc/57/48/02/556574802.db2.gz WXLXXHNBLHFYHB-ZRZAMGCNSA-N 1 0 443.490 3.647 50 0 IHAARO Cc1ccccc1N1C(=O)c2ccc(C(=O)NCc3ccc(C[NH+](C)C)cc3)cc2C1=O ZINC000016102482 556583013 /nfs/dbraw/zinc/58/30/13/556583013.db2.gz FPAMTTIXCHDTFG-UHFFFAOYSA-N 1 0 427.504 3.787 50 0 IHAARO Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc1 ZINC000016600140 556616822 /nfs/dbraw/zinc/61/68/22/556616822.db2.gz WAGZNFRBMAIXAD-UHFFFAOYSA-N 1 0 435.565 3.784 50 0 IHAARO Cc1cc2nc(C)c(=O)n(Cc3ccc(C(=O)NCC[N@H+]4CCCC[C@@H]4C)cc3)c2cc1C ZINC000033006097 556655277 /nfs/dbraw/zinc/65/52/77/556655277.db2.gz IFIUVDXMTJKONP-FQEVSTJZSA-N 1 0 446.595 3.974 50 0 IHAARO CC[NH+]1CCN(c2ccc(NC(=O)C[C@@H]3Sc4ccc(Cl)cc4NC3=O)cc2)CC1 ZINC000011952865 556676844 /nfs/dbraw/zinc/67/68/44/556676844.db2.gz WQOITCXVXCRALV-FQEVSTJZSA-N 1 0 444.988 3.924 50 0 IHAARO Cc1cccn2c(CNC[C@@H]3CC[N@@H+](C(C)C)C3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000055226756 556738171 /nfs/dbraw/zinc/73/81/71/556738171.db2.gz JNRZIOFLCGZTHY-QHCPKHFHSA-N 1 0 447.627 3.777 50 0 IHAARO CC[NH+]1CCN(c2ncnc3sc(C(=O)NCc4cccc(Cl)c4)c(C)c32)CC1 ZINC000033048361 556744664 /nfs/dbraw/zinc/74/46/64/556744664.db2.gz KQEWVKPEALAALZ-UHFFFAOYSA-N 1 0 429.977 3.725 50 0 IHAARO O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000058160637 556764677 /nfs/dbraw/zinc/76/46/77/556764677.db2.gz BEDUJUIOYKTNGP-UHFFFAOYSA-N 1 0 443.547 3.961 50 0 IHAARO CC[N@@H+]1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3ccc(Cl)cc3)c(=O)c2C1 ZINC000062007146 556765362 /nfs/dbraw/zinc/76/53/62/556765362.db2.gz ASIPACPKXPQTJJ-UHFFFAOYSA-N 1 0 440.906 3.720 50 0 IHAARO O=C(NC[C@@H]([C@H]1CCOC1)[NH+]1CCCC1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000058433999 556788272 /nfs/dbraw/zinc/78/82/72/556788272.db2.gz XLHGSNHCQYZHSA-AVRDEDQJSA-N 1 0 446.567 3.967 50 0 IHAARO COc1ccc(NC(=O)[C@@H](C)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1OC ZINC000060036481 556805964 /nfs/dbraw/zinc/80/59/64/556805964.db2.gz MDGOPZUQICULAH-GOSISDBHSA-N 1 0 438.572 3.675 50 0 IHAARO Cc1nc2sccn2c1C[NH+]1CCC(n2nccc2NC(=O)Cc2ccccc2)CC1 ZINC000063870122 556822165 /nfs/dbraw/zinc/82/21/65/556822165.db2.gz XDFVUUMIJDJOAT-UHFFFAOYSA-N 1 0 434.569 3.919 50 0 IHAARO Cc1ccc(S(=O)(=O)N2CCC(CC(=O)NCC[C@@H](C)[NH+]3CCCCCC3)CC2)cc1 ZINC000033254587 556890685 /nfs/dbraw/zinc/89/06/85/556890685.db2.gz GPBARVLGVONZHH-OAQYLSRUSA-N 1 0 449.661 3.557 50 0 IHAARO O=C(CCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)NCCC[NH+]1CCCC1 ZINC000033255184 556894766 /nfs/dbraw/zinc/89/47/66/556894766.db2.gz CVYJHAHGFJXJJB-UHFFFAOYSA-N 1 0 446.551 3.803 50 0 IHAARO O=S(=O)(c1ccc2ccccc2c1)N1CCC(N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000019888788 556938496 /nfs/dbraw/zinc/93/84/96/556938496.db2.gz FOZUYPWQXOXNAH-UHFFFAOYSA-N 1 0 449.620 3.811 50 0 IHAARO COc1cccc(C[NH2+]Cc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3ccc(Cl)cn32)c1 ZINC000020211145 556998593 /nfs/dbraw/zinc/99/85/93/556998593.db2.gz SFKXCWREBLLZKP-IYBDPMFKSA-N 1 0 442.947 3.536 50 0 IHAARO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)ccc1C ZINC000072034234 557022792 /nfs/dbraw/zinc/02/27/92/557022792.db2.gz RSTZCAZIEXRNCK-NRFANRHFSA-N 1 0 429.586 3.629 50 0 IHAARO CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(=O)n2nc(-c3ccccc3OC)sc2n1 ZINC000046032417 557025135 /nfs/dbraw/zinc/02/51/35/557025135.db2.gz YFXUEJJORWBKCI-UHFFFAOYSA-N 1 0 436.537 3.857 50 0 IHAARO CC1CC[NH+]([C@H](CNC(=O)CCc2nc(-c3ccccn3)no2)c2cccs2)CC1 ZINC000048287493 557053231 /nfs/dbraw/zinc/05/32/31/557053231.db2.gz BBUGPSWPQDNSFK-GOSISDBHSA-N 1 0 425.558 3.715 50 0 IHAARO O=C(NCCc1ccccc1)[C@H]1CCC[N@@H+](C2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000082108381 557058493 /nfs/dbraw/zinc/05/84/93/557058493.db2.gz NXTRJDXQWVWFJT-FQEVSTJZSA-N 1 0 426.992 3.775 50 0 IHAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)CCCCCN1C(=O)c2ccccc2C1=O ZINC000043772959 557091004 /nfs/dbraw/zinc/09/10/04/557091004.db2.gz OSFQUYGPCXYOTG-ISKFKSNPSA-N 1 0 445.563 3.986 50 0 IHAARO CC[NH+](CC)Cc1cccc(NC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)c1 ZINC000024927442 557180468 /nfs/dbraw/zinc/18/04/68/557180468.db2.gz TZACWIYQLZRLOF-UHFFFAOYSA-N 1 0 442.604 3.994 50 0 IHAARO Cc1cccc(CN2CCC([NH+]3CCC(C(=O)N4CCc5sccc5C4)CC3)CC2)n1 ZINC000011662960 557237828 /nfs/dbraw/zinc/23/78/28/557237828.db2.gz RDHVLOBBGBEZHD-UHFFFAOYSA-N 1 0 438.641 3.713 50 0 IHAARO C[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)C1 ZINC000020507925 557308816 /nfs/dbraw/zinc/30/88/16/557308816.db2.gz ARPVPDNHDJLZID-VOQZNFBZSA-N 1 0 425.598 3.897 50 0 IHAARO Cc1[nH]c(C(=O)N2CCC(CC(=O)NCCC[N@@H+](C)C3CCCCC3)CC2)c(C)c1C ZINC000033024428 557321286 /nfs/dbraw/zinc/32/12/86/557321286.db2.gz MYGKCWIWVKYZSZ-UHFFFAOYSA-N 1 0 430.637 3.953 50 0 IHAARO CC[NH+]1CCN([C@@H](c2ccc(Cl)cc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 ZINC000023478418 557363657 /nfs/dbraw/zinc/36/36/57/557363657.db2.gz ITTYWAPURRJREC-QHCPKHFHSA-N 1 0 441.959 3.884 50 0 IHAARO CCOC(=O)C1CC[NH+]([C@@H](c2ccc(OCC)cc2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000024022928 557391571 /nfs/dbraw/zinc/39/15/71/557391571.db2.gz LAMUBALILGXUEJ-QHCPKHFHSA-N 1 0 442.556 3.645 50 0 IHAARO CC[C@](C)(C(=O)Nc1cc(OC)cc(OC)c1)N(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(C)=O ZINC000033435685 557397890 /nfs/dbraw/zinc/39/78/90/557397890.db2.gz POZFQCFCTQXDEA-BFMBIBTESA-N 1 0 445.604 3.924 50 0 IHAARO O=C(COc1coc(C[NH+]2CCCCCC2)cc1=O)Nc1cccc(Br)c1 ZINC000072406483 557399901 /nfs/dbraw/zinc/39/99/01/557399901.db2.gz VLUNDNBEUGKZGJ-UHFFFAOYSA-N 1 0 435.318 3.796 50 0 IHAARO Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@H+](CC(C)C)C[C@H](C)O)cc1 ZINC000105002659 557470277 /nfs/dbraw/zinc/47/02/77/557470277.db2.gz HMZJFQLWXTXEFW-UGKGYDQZSA-N 1 0 430.614 3.900 50 0 IHAARO COc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000225467164 557726023 /nfs/dbraw/zinc/72/60/23/557726023.db2.gz HKEUMLVRKAYWLK-ROUUACIJSA-N 1 0 431.577 3.808 50 0 IHAARO COc1ccccc1N(C[C@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C)S(=O)(=O)c1ccccc1 ZINC000006057775 562946081 /nfs/dbraw/zinc/94/60/81/562946081.db2.gz KEEHFUFQYWCYRH-HSALFYBXSA-N 1 0 432.586 3.514 50 0 IHAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cn3c(nnc3-c3cccc(Br)c3)s2)C1 ZINC000008592989 562952471 /nfs/dbraw/zinc/95/24/71/562952471.db2.gz GUXABAWZGZJRGL-CQSZACIVSA-N 1 0 449.374 3.995 50 0 IHAARO C[NH+](C)CCn1c(=O)nc(SCC(=O)Nc2cccc3ccccc32)c2c1CCCC2 ZINC000009747406 562976583 /nfs/dbraw/zinc/97/65/83/562976583.db2.gz JATDPSMEQAVFJO-UHFFFAOYSA-N 1 0 436.581 3.568 50 0 IHAARO C[NH+](C)[C@@H](CNC(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O)c1ccccc1 ZINC000013139002 562985179 /nfs/dbraw/zinc/98/51/79/562985179.db2.gz RVYWJFZGSFHNNJ-QFIPXVFZSA-N 1 0 429.520 3.635 50 0 IHAARO COc1ccc2cc3cc(C(=O)NCCN4CC[NH+](Cc5ccccc5)CC4)oc3nc2c1 ZINC000020210109 563024025 /nfs/dbraw/zinc/02/40/25/563024025.db2.gz ZYXWNMJZDMHGDT-UHFFFAOYSA-N 1 0 444.535 3.537 50 0 IHAARO Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nc2cc(NC(=O)c3ccco3)ccc21 ZINC000037866250 563095896 /nfs/dbraw/zinc/09/58/96/563095896.db2.gz CKQYQAZAMQUMRT-UHFFFAOYSA-N 1 0 429.524 3.783 50 0 IHAARO CC(C)(CNC(=O)c1ccccc1I)[N@@H+]1CCc2ccccc2C1 ZINC000025461030 568660533 /nfs/dbraw/zinc/66/05/33/568660533.db2.gz WWGQFWAOHXVFBV-UHFFFAOYSA-N 1 0 434.321 3.858 50 0 IHAARO Cn1c2ccc(F)cc2c(N2CCCC2=O)c1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000015681692 568806612 /nfs/dbraw/zinc/80/66/12/568806612.db2.gz WSCPBASVLDMELR-UHFFFAOYSA-N 1 0 448.542 3.839 50 0 IHAARO O=C(c1c[nH]c2ccccc12)[C@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 ZINC000032514147 568812362 /nfs/dbraw/zinc/81/23/62/568812362.db2.gz XVYGHATWTGJCCZ-JOCHJYFZSA-N 1 0 444.535 3.936 50 0 IHAARO C[N@H+](CCCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1)Cc1ccccc1 ZINC000015773956 568823080 /nfs/dbraw/zinc/82/30/80/568823080.db2.gz GCVXEMLBZHNMBU-RUZDIDTESA-N 1 0 427.548 3.896 50 0 IHAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCn1ccc2cc(OC)ccc21 ZINC000524729300 568903911 /nfs/dbraw/zinc/90/39/11/568903911.db2.gz NCRVXTDDQIFXPG-JTHBVZDNSA-N 1 0 427.589 3.780 50 0 biogenic IHAARO COc1ccccc1N(C[C@H](O)C[NH+]1[C@H](C)CCC[C@H]1C)S(=O)(=O)c1ccccc1 ZINC000239807994 568911912 /nfs/dbraw/zinc/91/19/12/568911912.db2.gz KEEHFUFQYWCYRH-VAMGGRTRSA-N 1 0 432.586 3.514 50 0 IHAARO CCc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)nc2cc(-c3ccco3)nn21 ZINC000064760308 568952317 /nfs/dbraw/zinc/95/23/17/568952317.db2.gz DFKRCWJPMYVBQH-UHFFFAOYSA-N 1 0 429.524 3.946 50 0 IHAARO CC(C)OC[C@@H](O)CN(Cc1ccc(F)cc1F)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146419 568962679 /nfs/dbraw/zinc/96/26/79/568962679.db2.gz QQMBJZVCOSXPLW-SFTDATJTSA-N 1 0 436.474 3.885 50 0 IHAARO CC[N@H+](CCNC(=O)[C@@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1)Cc1ccccc1 ZINC000064929151 568987988 /nfs/dbraw/zinc/98/79/88/568987988.db2.gz QMJPFFDJFFHWCS-XMMPIXPASA-N 1 0 443.595 3.998 50 0 IHAARO O=C(NC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000169678934 568990198 /nfs/dbraw/zinc/99/01/98/568990198.db2.gz CQGUBYASTKGIBU-IRLDBZIGSA-N 1 0 429.486 3.847 50 0 IHAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C[C@@H](C)O ZINC000036309285 568995842 /nfs/dbraw/zinc/99/58/42/568995842.db2.gz LWWJOYCBEKARIC-UZLBHIALSA-N 1 0 437.005 3.999 50 0 IHAARO Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@H+](CC(C)C)C[C@@H](C)O)cc1 ZINC000036309100 568995875 /nfs/dbraw/zinc/99/58/75/568995875.db2.gz HMZJFQLWXTXEFW-KNQAVFIVSA-N 1 0 430.614 3.900 50 0 IHAARO CCc1nc(-c2ccccc2)nc(N2CC[NH+](C[C@@H](C)O)CC2)c1Cc1ccccc1F ZINC000036340842 569078516 /nfs/dbraw/zinc/07/85/16/569078516.db2.gz IMFOBSWHDSPAMX-LJQANCHMSA-N 1 0 434.559 3.939 50 0 IHAARO COCc1nc(-c2ccccc2)nc(N2CC[NH+](C[C@H](C)O)CC2)c1Cc1ccc(C)cc1 ZINC000036340052 569078733 /nfs/dbraw/zinc/07/87/33/569078733.db2.gz XFXDYSOLLZSNTP-NRFANRHFSA-N 1 0 446.595 3.692 50 0 IHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3cccc(OC)c3)C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000036341133 569079130 /nfs/dbraw/zinc/07/91/30/569079130.db2.gz HKSHXWDTKJBCAO-HSZRJFAPSA-N 1 0 440.975 3.664 50 0 IHAARO Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC([C@@H](C)C(=O)NCC[NH+](C)C)CC1 ZINC000065006475 569086975 /nfs/dbraw/zinc/08/69/75/569086975.db2.gz OTFAVTHQGIMVOJ-QGZVFWFLSA-N 1 0 442.629 3.593 50 0 IHAARO CC1CC[NH+](CCNS(=O)(=O)c2ccccc2-c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000065137905 569110525 /nfs/dbraw/zinc/11/05/25/569110525.db2.gz QAOSRPVULKTUBR-UHFFFAOYSA-N 1 0 444.532 3.553 50 0 IHAARO CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(C[NH+]4CCCCC4)cc3)cc2C[C@@H]1C ZINC000006929226 569110725 /nfs/dbraw/zinc/11/07/25/569110725.db2.gz VXLAWYVDBXBKIB-KRWDZBQOSA-N 1 0 427.570 3.771 50 0 IHAARO CC1(C)CC(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)CC(C)(C)[NH2+]1 ZINC000036476276 569113367 /nfs/dbraw/zinc/11/33/67/569113367.db2.gz FMIGTXVFXKTHOQ-UHFFFAOYSA-N 1 0 433.549 3.666 50 0 IHAARO COc1cc2oc(=O)c(CC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)c(C)c2cc1Cl ZINC000036569676 569118301 /nfs/dbraw/zinc/11/83/01/569118301.db2.gz PMNRCGAXPRATRG-DNVCBOLYSA-N 1 0 432.948 3.687 50 0 IHAARO Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000170598032 569142273 /nfs/dbraw/zinc/14/22/73/569142273.db2.gz CQHVHDMTEFOKNT-NRFANRHFSA-N 1 0 431.584 3.604 50 0 IHAARO COc1ccc2c(C)c(CCC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)c(=O)oc2c1C ZINC000170613383 569146284 /nfs/dbraw/zinc/14/62/84/569146284.db2.gz BNENPFSHOGSPLL-NQIIRXRSSA-N 1 0 426.557 3.732 50 0 IHAARO Cc1ccc(-n2c(Cl)c(CN3CCC([N@H+]4CCO[C@@H](C)C4)CC3)nc2N(C)C)cc1 ZINC000170616040 569146898 /nfs/dbraw/zinc/14/68/98/569146898.db2.gz PFTPLVAVOBPUBM-SFHVURJKSA-N 1 0 432.012 3.585 50 0 IHAARO C[NH+](C)[C@H](CNC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)c1ccccc1 ZINC000009954332 569151000 /nfs/dbraw/zinc/15/10/00/569151000.db2.gz URURFWHGSHRFQT-QGZVFWFLSA-N 1 0 438.578 3.606 50 0 IHAARO O=C(N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C2CCCC2)CC1)OCc1ccccc1 ZINC000089829964 569165495 /nfs/dbraw/zinc/16/54/95/569165495.db2.gz DCKKRJUMJNBAFN-XMMPIXPASA-N 1 0 435.568 3.611 50 0 IHAARO COc1ccccc1-c1nc(NCC[NH+]2CCCC2)nc2nn(-c3cccc(F)c3)c(N)c21 ZINC000037357899 569175473 /nfs/dbraw/zinc/17/54/73/569175473.db2.gz XVWXWSQJBOHVHD-UHFFFAOYSA-N 1 0 447.518 3.720 50 0 IHAARO COc1cccc(-c2nc(N3CC[NH+]([C@H](C)c4ccccc4)CC3)nc3nn(C)c(N)c32)c1 ZINC000037361283 569181594 /nfs/dbraw/zinc/18/15/94/569181594.db2.gz IFWWZXVXUOJNDA-QGZVFWFLSA-N 1 0 443.555 3.504 50 0 IHAARO Cc1c(C(=O)NCCC[N@@H+](C)Cc2ccccc2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000009405666 569182959 /nfs/dbraw/zinc/18/29/59/569182959.db2.gz CXOUOIAKRZQIIB-UHFFFAOYSA-N 1 0 438.597 3.745 50 0 IHAARO C[NH+](C)CCNc1nc2nn(Cc3ccccc3)c(N)c2c(-c2ccc(F)c(Cl)c2)n1 ZINC000037375625 569185535 /nfs/dbraw/zinc/18/55/35/569185535.db2.gz BIGIGOLXHZDRKC-UHFFFAOYSA-N 1 0 439.926 3.890 50 0 IHAARO CC(C)(C)C(=O)NC1CCN(c2ccccc2C(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000037525690 569199181 /nfs/dbraw/zinc/19/91/81/569199181.db2.gz GGQQFEONJPZMDK-UHFFFAOYSA-N 1 0 440.632 3.518 50 0 IHAARO CC(C)CN1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)C4(c5ccccc5)CC4)CC3)C2)CC1 ZINC000581820183 569211747 /nfs/dbraw/zinc/21/17/47/569211747.db2.gz WUFWWKGYBMJTRL-XMMPIXPASA-N 1 0 439.644 3.532 50 0 IHAARO CC[NH+](CC)CCNC(=O)/C(=C/c1cn(C)c2ccccc12)NC(=O)c1ccc(C)cc1 ZINC000002247343 569214654 /nfs/dbraw/zinc/21/46/54/569214654.db2.gz RYKMTRFKGWPTES-QJOMJCCJSA-N 1 0 432.568 3.716 50 0 IHAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1ccccc1-n1cnc2ccccc2c1=O ZINC000253398858 569264857 /nfs/dbraw/zinc/26/48/57/569264857.db2.gz CITZPTFMUNOEFX-WMZHIEFXSA-N 1 0 430.552 3.722 50 0 biogenic IHAARO C[C@H]([NH2+][C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]1C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000253417261 569266532 /nfs/dbraw/zinc/26/65/32/569266532.db2.gz BDHHDZHTZOLZIQ-CUXUIYPMSA-N 1 0 431.577 3.639 50 0 IHAARO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000013039304 569307910 /nfs/dbraw/zinc/30/79/10/569307910.db2.gz BCSTXEPDBPKFTC-AWEZNQCLSA-N 1 0 443.491 3.553 50 0 IHAARO Cc1ccc(-n2ncc(C(=O)NCCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2C(F)(F)F)cc1 ZINC000079050770 569323321 /nfs/dbraw/zinc/32/33/21/569323321.db2.gz BEPVHIQTVICKTK-CALCHBBNSA-N 1 0 438.494 3.819 50 0 IHAARO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000079053851 569323515 /nfs/dbraw/zinc/32/35/15/569323515.db2.gz VYEMIOVEYPWUKS-GOSISDBHSA-N 1 0 445.501 3.801 50 0 IHAARO CCOC(=O)C1C(C[N@H+]2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214477 569356561 /nfs/dbraw/zinc/35/65/61/569356561.db2.gz SRTWTMFXDMCYKT-HYFFOGBASA-N 1 0 429.561 3.623 50 0 IHAARO O=C(NCC[N@H+](Cc1ccco1)C1CCCC1)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000020329430 569360776 /nfs/dbraw/zinc/36/07/76/569360776.db2.gz RXLXEMZAOSALLF-UHFFFAOYSA-N 1 0 448.567 3.891 50 0 IHAARO Cn1c(CN2CCc3ccccc3C2)cc(=O)c(O)c1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000095480851 569374096 /nfs/dbraw/zinc/37/40/96/569374096.db2.gz TZPMLPPBCSENDJ-HSZRJFAPSA-N 1 0 429.564 3.639 50 0 IHAARO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000095993682 569378412 /nfs/dbraw/zinc/37/84/12/569378412.db2.gz MOKWBPUITPKYFX-NZSAHSFTSA-N 1 0 432.012 3.632 50 0 IHAARO CS[C@H]1CN(C(=O)Nc2cccc(COCCOc3ccccc3)c2)C[C@@H]1[NH+](C)C ZINC000095996499 569378749 /nfs/dbraw/zinc/37/87/49/569378749.db2.gz CWXTUUJFTIGVFC-VXKWHMMOSA-N 1 0 429.586 3.792 50 0 IHAARO CC(C)([C@H](NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000096011855 569379900 /nfs/dbraw/zinc/37/99/00/569379900.db2.gz BWYSOYLODGAVTL-WIYYLYMNSA-N 1 0 433.543 3.645 50 0 IHAARO Cc1c(O)ccc2c(C)c(CCC(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c(=O)oc12 ZINC000299754464 569409077 /nfs/dbraw/zinc/40/90/77/569409077.db2.gz RPJDHOMFOULMDT-RXVVDRJESA-N 1 0 426.557 3.771 50 0 biogenic IHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000002621810 569411180 /nfs/dbraw/zinc/41/11/80/569411180.db2.gz QOQCIYUVLDGLHZ-UHFFFAOYSA-N 1 0 430.552 3.517 50 0 IHAARO O=C(Cc1cn2ccsc2n1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057373497 569432609 /nfs/dbraw/zinc/43/26/09/569432609.db2.gz ZMVRZSPTVGHWJP-UHFFFAOYSA-N 1 0 431.565 3.899 50 0 IHAARO O=C(NCc1ccco1)C1CC[NH+](Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000002960431 569432798 /nfs/dbraw/zinc/43/27/98/569432798.db2.gz FVMMGAORWOBFFO-UHFFFAOYSA-N 1 0 429.524 3.784 50 0 IHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3cccc(CS(C)(=O)=O)c3)cc2)C1 ZINC000057586881 569440004 /nfs/dbraw/zinc/44/00/04/569440004.db2.gz AWMIBCHHVNWZIZ-KDURUIRLSA-N 1 0 428.598 3.639 50 0 IHAARO Cc1cc(C)cc(-n2c(SCC[NH2+]CCO)nnc2-c2ccc(Br)cc2)c1 ZINC000003359362 569447809 /nfs/dbraw/zinc/44/78/09/569447809.db2.gz RUJYTRPPDCEOML-UHFFFAOYSA-N 1 0 447.402 3.988 50 0 IHAARO CCC[NH+](CCC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000003657957 569455881 /nfs/dbraw/zinc/45/58/81/569455881.db2.gz CTSZZQADUBGVIN-ZEQRLZLVSA-N 1 0 437.584 3.844 50 0 IHAARO Cc1ccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@H](O)[C@H]34)CC2)cc1C ZINC000059415109 569461304 /nfs/dbraw/zinc/46/13/04/569461304.db2.gz ZZSQDHGSNRGFRY-LUPCETETSA-N 1 0 438.612 3.710 50 0 biogenic IHAARO CCC[N@@H+]1CCc2nc(SCC(=O)Nc3ccccc3C(F)(F)F)[nH]c(=O)c2C1 ZINC000067291714 569467617 /nfs/dbraw/zinc/46/76/17/569467617.db2.gz CYUMXINYSVCMJO-UHFFFAOYSA-N 1 0 426.464 3.700 50 0 IHAARO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]3CCC[N@@H+]3[C@@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000008876758 569481140 /nfs/dbraw/zinc/48/11/40/569481140.db2.gz HIYMQBNHSINOIA-UTAZYMRLSA-N 1 0 447.535 3.751 50 0 biogenic IHAARO C[NH+](C)[C@H](CNC(=O)Nc1cc2c(cc1Br)OCCO2)c1cccs1 ZINC000040103731 569488096 /nfs/dbraw/zinc/48/80/96/569488096.db2.gz BIPXLNYQWCMDTG-CYBMUJFWSA-N 1 0 426.336 3.706 50 0 IHAARO CC(C)[C@@H](CNC(=O)CSc1nncn1-c1cccc(Cl)c1)[NH+]1CCC(C)CC1 ZINC000040107985 569488479 /nfs/dbraw/zinc/48/84/79/569488479.db2.gz CFRWTKXCSBKMJA-LJQANCHMSA-N 1 0 436.025 3.886 50 0 IHAARO C[C@H]1CN(S(=O)(=O)CC[NH2+]Cc2ccc(-c3ccccc3Cl)s2)C[C@H](C)O1 ZINC000040153282 569493557 /nfs/dbraw/zinc/49/35/57/569493557.db2.gz XIKBUJVEMHEGKR-GJZGRUSLSA-N 1 0 429.007 3.597 50 0 IHAARO CN(C(=O)c1csc(NC(=O)c2ccccc2C(F)(F)F)n1)C1CC[NH+](C)CC1 ZINC000040355938 569499850 /nfs/dbraw/zinc/49/98/50/569499850.db2.gz SIQGBXKBSBSEIM-UHFFFAOYSA-N 1 0 426.464 3.580 50 0 IHAARO CC(C)[C@@H]([NH2+]CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)c1ccc(F)cc1 ZINC000009314522 569522017 /nfs/dbraw/zinc/52/20/17/569522017.db2.gz NJEKFVAQHIFMAD-HXUWFJFHSA-N 1 0 441.956 3.655 50 0 IHAARO CC[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000070036663 569529349 /nfs/dbraw/zinc/52/93/49/569529349.db2.gz UOTBZEZQXGAJDS-ROUUACIJSA-N 1 0 444.992 3.959 50 0 IHAARO CCC[NH+](CCC)CCCNC(=O)[C@H]1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000009431606 569534249 /nfs/dbraw/zinc/53/42/49/569534249.db2.gz UJJXDDVNOFEZLO-FQEVSTJZSA-N 1 0 443.592 3.590 50 0 IHAARO CCc1cc(=O)oc2cc(O[C@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc12 ZINC000009510498 569542742 /nfs/dbraw/zinc/54/27/42/569542742.db2.gz XMAVRFPIJCTQJU-GOSISDBHSA-N 1 0 434.536 3.904 50 0 IHAARO COc1ccc([C@H](CNC(=O)C[C@H]2Sc3ccccc3NC2=O)[NH+]2CCCCC2)cc1 ZINC000009593842 569550528 /nfs/dbraw/zinc/55/05/28/569550528.db2.gz DNTPXIOEQBRZRW-RBBKRZOGSA-N 1 0 439.581 3.842 50 0 IHAARO Cc1nc(SCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)[nH]c1Cc1ccccc1 ZINC000009712081 569562153 /nfs/dbraw/zinc/56/21/53/569562153.db2.gz OOQBLCJPZHCUNC-UHFFFAOYSA-N 1 0 435.597 3.792 50 0 IHAARO COc1ccc(-c2nc(C[NH+]3CCC(C(=O)NCc4ccco4)CC3)c(C)o2)cc1OC ZINC000009731697 569564665 /nfs/dbraw/zinc/56/46/65/569564665.db2.gz NNNKIEHTVHCLRM-UHFFFAOYSA-N 1 0 439.512 3.789 50 0 IHAARO CCCCc1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+](C)C)c3c2CCC3)cc1 ZINC000009745902 569565738 /nfs/dbraw/zinc/56/57/38/569565738.db2.gz IZBWZKGTOLROFM-UHFFFAOYSA-N 1 0 442.629 3.757 50 0 IHAARO CCNC(=O)N1CCC[C@H](c2cccc(C(=O)N3CCC([NH+]4CCCCC4)CC3)c2)C1 ZINC000033264086 569587385 /nfs/dbraw/zinc/58/73/85/569587385.db2.gz CRLDATNDOBCIAH-QFIPXVFZSA-N 1 0 426.605 3.686 50 0 IHAARO O=S(=O)(c1ccc2ccccc2c1)N1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000006165899 132276336 /nfs/dbraw/zinc/27/63/36/132276336.db2.gz VVTCGGXBZHTYHE-UHFFFAOYSA-N 1 0 435.593 3.815 50 0 IHAARO CC[C@H]1Oc2ccc(C)cc2N(CC(=O)NCC[NH+]2CCC(Cc3ccccc3)CC2)C1=O ZINC000008812224 132294677 /nfs/dbraw/zinc/29/46/77/132294677.db2.gz YZVGPKSBQOLHHP-XMMPIXPASA-N 1 0 449.595 3.570 50 0 IHAARO Cc1nnc2c(NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)nc3ccccc3n12 ZINC000009561251 132321512 /nfs/dbraw/zinc/32/15/12/132321512.db2.gz XUVWMEPTMNOOCO-UHFFFAOYSA-N 1 0 435.963 3.864 50 0 IHAARO CC(C)(C)C1CCC(OC[C@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1 ZINC000022870680 518605739 /nfs/dbraw/zinc/60/57/39/518605739.db2.gz OHWUNHLRNJKUGO-ATKRNPRHSA-N 1 0 432.605 3.515 50 0 IHAARO CC(C)[NH+]1CCC(N2CCN(Cc3cnc(-c4ccccc4)s3)C[C@@H]2CCO)CC1 ZINC000020782909 519670113 /nfs/dbraw/zinc/67/01/13/519670113.db2.gz BUMVXUQUPPCWHD-QFIPXVFZSA-N 1 0 428.646 3.552 50 0 IHAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2ccc(OCCO)cc2)CC1 ZINC000012725564 520457633 /nfs/dbraw/zinc/45/76/33/520457633.db2.gz NSYLNKXOOHEMIS-UHFFFAOYSA-N 1 0 427.541 3.672 50 0 IHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)CCn1cnc2sc(C)c(C)c2c1=O ZINC000012775687 520760021 /nfs/dbraw/zinc/76/00/21/520760021.db2.gz KHHJUZVPJDOUQS-UHFFFAOYSA-N 1 0 426.586 3.623 50 0 IHAARO CC1=C(C(=O)Nc2ccc(C(=O)N3CCC([NH+]4CCCCC4)CC3)cc2)SCCO1 ZINC000020514246 520803348 /nfs/dbraw/zinc/80/33/48/520803348.db2.gz RMNXUERZAATKNI-UHFFFAOYSA-N 1 0 429.586 3.711 50 0 IHAARO CC1CC[NH+]([C@H](CNC(=O)COc2cccc(N3CCCC3=O)c2)c2cccs2)CC1 ZINC000012738866 521036947 /nfs/dbraw/zinc/03/69/47/521036947.db2.gz CKIHOLNTCIHJNI-OAQYLSRUSA-N 1 0 441.597 3.843 50 0 IHAARO CCOC(=O)[C@]1(Cc2ccccc2C)CCC[N@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000020599841 521358053 /nfs/dbraw/zinc/35/80/53/521358053.db2.gz SBBISBLIJOOZHU-DEOSSOPVSA-N 1 0 443.613 3.676 50 0 IHAARO CCC(CC)C[NH+]1CCN(c2cccc3c2C(=O)N(Cc2ccc4c(c2)OCO4)C3=O)CC1 ZINC000012155887 521526486 /nfs/dbraw/zinc/52/64/86/521526486.db2.gz VIKJDLKPQUYXQP-UHFFFAOYSA-N 1 0 449.551 3.770 50 0 IHAARO CCC(CC)[C@H](CNC(=O)CCn1c(=S)[nH]nc1-c1cccc(C)c1)[NH+]1CCOCC1 ZINC000022898878 521617151 /nfs/dbraw/zinc/61/71/51/521617151.db2.gz SPWQZXABBFNIPG-FQEVSTJZSA-N 1 0 445.633 3.559 50 0 IHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2nccc(-c3ccccc3F)n2)c1C1CC1 ZINC000012131624 521657058 /nfs/dbraw/zinc/65/70/58/521657058.db2.gz FESXOTOJFWSPHA-KRWDZBQOSA-N 1 0 434.519 3.560 50 0 IHAARO COC(=O)c1ccc(C[NH2+]C2CCN(c3cccc(NC(=O)c4ccncc4)c3)CC2)cc1 ZINC000012152700 522029264 /nfs/dbraw/zinc/02/92/64/522029264.db2.gz DFLOJFUDQNJPBQ-UHFFFAOYSA-N 1 0 444.535 3.879 50 0 IHAARO C[NH+](C)[C@H](CNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)c1cccc(F)c1 ZINC000012911335 522084416 /nfs/dbraw/zinc/08/44/16/522084416.db2.gz QBTDOTAQCIAHRN-HSZRJFAPSA-N 1 0 445.494 3.655 50 0 IHAARO COCC1CC[NH+](Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)CC1 ZINC000012317465 522936576 /nfs/dbraw/zinc/93/65/76/522936576.db2.gz QXLQSDXYGJXBRE-UHFFFAOYSA-N 1 0 434.584 3.816 50 0 IHAARO COC(=O)CCCC(=O)N(C)C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012474652 522951063 /nfs/dbraw/zinc/95/10/63/522951063.db2.gz STWVHFRXUSIYSQ-GOSISDBHSA-N 1 0 428.495 3.762 50 0 IHAARO CCn1ccnc1CN(C)C(=O)c1cc(OC)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000012305097 523524245 /nfs/dbraw/zinc/52/42/45/523524245.db2.gz SAHMCVAMJAXTDL-UHFFFAOYSA-N 1 0 440.588 3.970 50 0 IHAARO CCn1ccnc1CN(C)C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000012300614 523526479 /nfs/dbraw/zinc/52/64/79/523526479.db2.gz MQWOHUJPWHTIFC-UHFFFAOYSA-N 1 0 433.556 3.614 50 0 IHAARO CCc1cc(C(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)n(C)n1 ZINC000012073563 523751032 /nfs/dbraw/zinc/75/10/32/523751032.db2.gz NLFXXIKUYCRCND-DEOSSOPVSA-N 1 0 438.616 3.824 50 0 IHAARO C[N@@H+]1CCCCC[C@@H]1C(=O)N1CCC(n2nccc2NC(=O)Nc2cccc(F)c2)CC1 ZINC000012315869 523789552 /nfs/dbraw/zinc/78/95/52/523789552.db2.gz YSROQXVXIRZACE-HXUWFJFHSA-N 1 0 442.539 3.704 50 0 IHAARO COc1ccc(C[NH+]2CCC3(CC2)C(=O)N(Cc2ccccn2)C(=O)N3CC(C)C)cc1 ZINC000014539101 524025648 /nfs/dbraw/zinc/02/56/48/524025648.db2.gz OWLQGWLWPBJBIB-UHFFFAOYSA-N 1 0 436.556 3.545 50 0 IHAARO CCc1ccc([C@H](Cn2cnc3c4c(sc3c2=O)SCC(=O)N4)[NH+]2CCCC2)cc1 ZINC000035671570 524051246 /nfs/dbraw/zinc/05/12/46/524051246.db2.gz GPDURFMIQAYBHW-INIZCTEOSA-N 1 0 440.594 3.902 50 0 IHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCC(=O)N1Cc2ccccc2Oc2ncccc21 ZINC000020944262 524101065 /nfs/dbraw/zinc/10/10/65/524101065.db2.gz YRQOEPKCYLCBPK-LJQANCHMSA-N 1 0 436.556 3.881 50 0 IHAARO C[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000012748787 524230666 /nfs/dbraw/zinc/23/06/66/524230666.db2.gz CTJBXMPRJPAZOQ-HTAPYJJXSA-N 1 0 449.551 3.648 50 0 IHAARO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000012373765 524317765 /nfs/dbraw/zinc/31/77/65/524317765.db2.gz VAGTZIHJUILQTO-KXOMFBTKSA-N 1 0 448.611 3.944 50 0 IHAARO Cc1cccc(CN2CC[NH+]([C@@H]3CCC(=O)N(Cc4ccc(F)cc4F)CC3)CC2)c1 ZINC000020906782 524400130 /nfs/dbraw/zinc/40/01/30/524400130.db2.gz HMFMSDYAUAHEGQ-HSZRJFAPSA-N 1 0 427.539 3.972 50 0 IHAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3cc(=O)n4c5ccccc5nc4s3)CC2)cc1 ZINC000033008863 524437338 /nfs/dbraw/zinc/43/73/38/524437338.db2.gz SQWRIXYJZZADJA-UHFFFAOYSA-N 1 0 446.576 3.860 50 0 IHAARO Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(CN2CC[NH+](C)CC2)n3C(C)C)c1 ZINC000020677930 524721617 /nfs/dbraw/zinc/72/16/17/524721617.db2.gz LCNNQTAYSSZLHE-UHFFFAOYSA-N 1 0 435.572 3.691 50 0 IHAARO Cc1cc(N2CCN(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CC2)nc(C(C)C)n1 ZINC000012754138 525075001 /nfs/dbraw/zinc/07/50/01/525075001.db2.gz BPGZZAMWEPBVKQ-UHFFFAOYSA-N 1 0 436.604 3.536 50 0 IHAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000034830304 525397109 /nfs/dbraw/zinc/39/71/09/525397109.db2.gz QYKQPLCFEQLYNZ-WMZHIEFXSA-N 1 0 439.625 3.719 50 0 IHAARO COc1cccc(CCN2C(=O)CC[C@H]2CC[NH2+]Cc2cc3c(cc2Cl)OCO3)c1 ZINC000012451315 525893232 /nfs/dbraw/zinc/89/32/32/525893232.db2.gz WPLFTUWTVKYAGJ-SFHVURJKSA-N 1 0 430.932 3.791 50 0 IHAARO O=C(NCCN1CCCCC1=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012581289 526309357 /nfs/dbraw/zinc/30/93/57/526309357.db2.gz YFAGEPGOLRJIJK-UHFFFAOYSA-N 1 0 449.595 3.515 50 0 IHAARO O=C(NCC[NH+]1CCCCCC1)c1ccc(NC(=O)N2CCSc3ncccc32)cc1 ZINC000020565094 526309578 /nfs/dbraw/zinc/30/95/78/526309578.db2.gz LGHXGHHHTIBALY-UHFFFAOYSA-N 1 0 439.585 3.832 50 0 IHAARO Fc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3cccn3-c3nccs3)C2)CC1 ZINC000020514956 526414149 /nfs/dbraw/zinc/41/41/49/526414149.db2.gz IKYNYHFYNFKVDH-LJQANCHMSA-N 1 0 425.577 3.860 50 0 IHAARO O=C([C@@H]1CC12CC[NH+](Cc1ccc3c(c1)CCO3)CC2)N1CCN(c2ccccc2)CC1 ZINC000012452698 526460671 /nfs/dbraw/zinc/46/06/71/526460671.db2.gz HWOGLSZDQKTQGK-DEOSSOPVSA-N 1 0 431.580 3.572 50 0 IHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000022464443 526491887 /nfs/dbraw/zinc/49/18/87/526491887.db2.gz JEAQZJHBOZMRMT-QHCPKHFHSA-N 1 0 441.522 3.770 50 0 IHAARO O=C(CN1CCC(c2nc3ccccc3s2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012732430 526729881 /nfs/dbraw/zinc/72/98/81/526729881.db2.gz IPBJKKAZFNSJNP-NRFANRHFSA-N 1 0 434.609 3.866 50 0 IHAARO O=C(C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)NCc1ccccc1OC(F)(F)F ZINC000012328512 526749473 /nfs/dbraw/zinc/74/94/73/526749473.db2.gz MCCXYWWLAAZWBX-QGZVFWFLSA-N 1 0 435.446 3.552 50 0 IHAARO O=C(C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)NCc1ccccc1OC(F)(F)F ZINC000012328515 526754221 /nfs/dbraw/zinc/75/42/21/526754221.db2.gz MCCXYWWLAAZWBX-KRWDZBQOSA-N 1 0 435.446 3.552 50 0 IHAARO O=C(CN1CCC[C@H](c2nc3ccccc3s2)C1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000035262656 526756626 /nfs/dbraw/zinc/75/66/26/526756626.db2.gz ZVTHZKNSRZHPIO-SFTDATJTSA-N 1 0 434.609 3.866 50 0 IHAARO O=C(c1cscn1)N1CCOc2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2C1 ZINC000012245749 526911796 /nfs/dbraw/zinc/91/17/96/526911796.db2.gz YLRCDPAWHWZZCX-UHFFFAOYSA-N 1 0 434.565 3.500 50 0 IHAARO O=C(CSc1nc2ccccc2c(=O)[nH]1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012360115 527056903 /nfs/dbraw/zinc/05/69/03/527056903.db2.gz WGOKQJGRCUWLCI-UHFFFAOYSA-N 1 0 438.597 3.541 50 0 IHAARO Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000012683817 527156998 /nfs/dbraw/zinc/15/69/98/527156998.db2.gz JTHKAIIYZHBIDV-HSZRJFAPSA-N 1 0 442.519 3.854 50 0 IHAARO O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012363444 527415217 /nfs/dbraw/zinc/41/52/17/527415217.db2.gz YGSYGSPFZBVCMR-UHFFFAOYSA-N 1 0 436.522 3.504 50 0 IHAARO O=c1c2c(ncn1Cc1cccc(F)c1)sc1c2CC[C@@H]([NH2+]CCc2ccccn2)C1 ZINC000012245601 527457556 /nfs/dbraw/zinc/45/75/56/527457556.db2.gz JYIRKAYNSBPUSM-LJQANCHMSA-N 1 0 434.540 3.730 50 0 IHAARO O=C(/C=C/c1ccccn1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012460208 527636453 /nfs/dbraw/zinc/63/64/53/527636453.db2.gz NZQAOCZAKUJUQD-GHUXWVSLSA-N 1 0 445.607 3.982 50 0 IHAARO Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)c12 ZINC000022227283 527682548 /nfs/dbraw/zinc/68/25/48/527682548.db2.gz YBNCUIAEQGJDQO-UHFFFAOYSA-N 1 0 440.551 3.948 50 0 IHAARO CC[NH+](CC)CCNC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1 ZINC000004034417 535537262 /nfs/dbraw/zinc/53/72/62/535537262.db2.gz ZCUPOLWRUCJKLR-ISKFKSNPSA-N 1 0 441.547 3.777 50 0 IHAARO COc1ccc(Cl)cc1NC(=O)c1sc2ncnc(N3CC[NH+](C)CC3)c2c1C ZINC000009742530 536577175 /nfs/dbraw/zinc/57/71/75/536577175.db2.gz FPLMZGVDEFDWNJ-UHFFFAOYSA-N 1 0 431.949 3.666 50 0 IHAARO CCCC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830293 555911682 /nfs/dbraw/zinc/91/16/82/555911682.db2.gz RJARQQYINIACDN-CYFREDJKSA-N 1 0 439.625 3.863 50 0 IHAARO CCCCNC(=O)N(CCC)Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](C)CC1 ZINC000034831350 555912727 /nfs/dbraw/zinc/91/27/27/555912727.db2.gz DZLAIMWKRBAMMF-UHFFFAOYSA-N 1 0 426.609 3.654 50 0 IHAARO COc1cc(C[NH2+]CCCN2CCOCC2)c(Br)cc1OC1CCCC1 ZINC000004811031 556013192 /nfs/dbraw/zinc/01/31/92/556013192.db2.gz GVOUFOYKBWLJPH-UHFFFAOYSA-N 1 0 427.383 3.591 50 0 IHAARO COc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+](C)C)c1 ZINC000002890320 556149145 /nfs/dbraw/zinc/14/91/45/556149145.db2.gz BBNCOTQGFCEEIL-HXUWFJFHSA-N 1 0 426.900 3.952 50 0 IHAARO Cc1cc(Cl)cc(Br)c1OC[C@@H](O)C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000008618173 556192890 /nfs/dbraw/zinc/19/28/90/556192890.db2.gz MRAZYNPZMLOODB-AWEZNQCLSA-N 1 0 428.710 3.669 50 0 IHAARO O=C(CC[N@@H+]1CCc2ccccc2[C@](O)(c2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000008667622 556197933 /nfs/dbraw/zinc/19/79/33/556197933.db2.gz PBWHUOGVBCGFKH-HHHXNRCGSA-N 1 0 429.516 3.825 50 0 IHAARO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@H](C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000013713576 556285720 /nfs/dbraw/zinc/28/57/20/556285720.db2.gz ZEXLUBLZRNFVBG-KFWWJZLASA-N 1 0 431.533 3.667 50 0 IHAARO CCOc1cc(C[NH2+]C[C@@H](O)c2ccccc2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013729636 556294414 /nfs/dbraw/zinc/29/44/14/556294414.db2.gz KXWNFKZXOZMYDP-OAQYLSRUSA-N 1 0 431.496 3.677 50 0 IHAARO C[C@H](C(=O)NCCCN1CC[NH+](C)CC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000022923785 556341854 /nfs/dbraw/zinc/34/18/54/556341854.db2.gz FQEZPODEJOIHJM-GOSISDBHSA-N 1 0 439.991 3.671 50 0 IHAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)Cc1ccccc1OC ZINC000011768982 556349664 /nfs/dbraw/zinc/34/96/64/556349664.db2.gz CMEADWSDHRLMPE-UHFFFAOYSA-N 1 0 428.548 3.764 50 0 IHAARO Cc1cc(C(=O)N(Cc2cccnc2)CC2CC[NH+](Cc3ccccc3C)CC2)n(C)n1 ZINC000011820649 556362303 /nfs/dbraw/zinc/36/23/03/556362303.db2.gz FENBTIWJJPGAFB-UHFFFAOYSA-N 1 0 431.584 3.987 50 0 IHAARO Cc1csc2nc(CN3C(=O)CC[C@@H]3CC[NH2+]Cc3cc4c(cc3Cl)OCO4)cn12 ZINC000011881806 556373253 /nfs/dbraw/zinc/37/32/53/556373253.db2.gz SMFZLLIWXTXRPA-MRXNPFEDSA-N 1 0 446.960 3.757 50 0 IHAARO COc1ccccc1CCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(F)c(OC)c1)CC2 ZINC000011910026 556374706 /nfs/dbraw/zinc/37/47/06/556374706.db2.gz FLQMIICJJLACFJ-HXUWFJFHSA-N 1 0 426.532 3.804 50 0 IHAARO O=C1CC[C@@H](CC[NH2+]CCOc2ccc(F)cc2)N1Cc1nc2cc(Cl)ccc2[nH]1 ZINC000011912122 556375187 /nfs/dbraw/zinc/37/51/87/556375187.db2.gz KPBCASGGKFYMNJ-KRWDZBQOSA-N 1 0 430.911 3.905 50 0 IHAARO CCc1cc(C(=O)N(C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)n(C)n1 ZINC000012005505 556386595 /nfs/dbraw/zinc/38/65/95/556386595.db2.gz HEOSPZJHDXIMMD-JOCHJYFZSA-N 1 0 442.579 3.655 50 0 IHAARO COc1cc(=O)n2c(c1C(=O)NCc1ccco1)CC[N@@H+](C[C@@H](C)CCC=C(C)C)CC2 ZINC000012053845 556393207 /nfs/dbraw/zinc/39/32/07/556393207.db2.gz SKFACZDQCYOVSO-IBGZPJMESA-N 1 0 441.572 3.621 50 0 IHAARO O=C(C[C@H]1Sc2ccccc2NC1=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000014245835 556405728 /nfs/dbraw/zinc/40/57/28/556405728.db2.gz VJJHIFMOTDBWOI-HSZRJFAPSA-N 1 0 431.561 3.987 50 0 IHAARO CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](C/C(C)=C/c1ccco1)CC2 ZINC000014536951 556423743 /nfs/dbraw/zinc/42/37/43/556423743.db2.gz GOJSLTJPSIDCSK-LVZFUZTISA-N 1 0 436.556 3.829 50 0 IHAARO COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](Cc1ccc(C)s1)CC2 ZINC000014537774 556423957 /nfs/dbraw/zinc/42/39/57/556423957.db2.gz SMZHHXROJAPXQA-UHFFFAOYSA-N 1 0 441.597 3.892 50 0 IHAARO CCc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2C)cc1 ZINC000012981878 556424824 /nfs/dbraw/zinc/42/48/24/556424824.db2.gz LDCPHRPZILFIIZ-GOSISDBHSA-N 1 0 431.602 3.877 50 0 IHAARO CN1C(=O)N(CCCc2ccncc2)C(=O)C12CC[NH+](CC1=CC[C@H]3C[C@@H]1C3(C)C)CC2 ZINC000014732789 556437446 /nfs/dbraw/zinc/43/74/46/556437446.db2.gz UCWSUSNPXNGZNW-VXKWHMMOSA-N 1 0 436.600 3.735 50 0 IHAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)N2CCCC2)C[N@H+](CCc2ccccc2)C1 ZINC000014740559 556438528 /nfs/dbraw/zinc/43/85/28/556438528.db2.gz KEIGWDQBYNNZQR-RPBOFIJWSA-N 1 0 445.607 3.917 50 0 IHAARO C[NH+](C)Cc1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)cc1 ZINC000013027886 556441045 /nfs/dbraw/zinc/44/10/45/556441045.db2.gz DEOBKCJUAMMUQM-UHFFFAOYSA-N 1 0 441.531 3.517 50 0 IHAARO COc1ccc(CN2C(=O)N(CC(C)C)C3(CC[NH+](Cc4cccnc4)CC3)C2=O)cc1 ZINC000014746715 556441462 /nfs/dbraw/zinc/44/14/62/556441462.db2.gz QJKXRYSHKFMVOU-UHFFFAOYSA-N 1 0 436.556 3.545 50 0 IHAARO Cc1oc(-c2ccc(C(=O)NCCCN3CC[NH+](C)CC3)cc2)nc1COc1ccccc1 ZINC000022936579 556445863 /nfs/dbraw/zinc/44/58/63/556445863.db2.gz RXKBBGSJIPASKG-UHFFFAOYSA-N 1 0 448.567 3.596 50 0 IHAARO Nc1nn(CC(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(=S)n1Nc1cc[nH+]cc1 ZINC000028535049 556456357 /nfs/dbraw/zinc/45/63/57/556456357.db2.gz YGJHRVREUVUMRD-UHFFFAOYSA-N 1 0 428.827 3.822 50 0 IHAARO Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)cc2)cc1 ZINC000013096781 556457553 /nfs/dbraw/zinc/45/75/53/556457553.db2.gz FKLWGJHZWRAXCY-QHCPKHFHSA-N 1 0 437.565 3.829 50 0 IHAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3cnc(N(C)C)s3)C2)c(OC)c1 ZINC000014981368 556470795 /nfs/dbraw/zinc/47/07/95/556470795.db2.gz YCKHEYLPZRZNLJ-QGZVFWFLSA-N 1 0 446.617 3.535 50 0 IHAARO O=C(NCCOc1cccnc1)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000014981076 556470895 /nfs/dbraw/zinc/47/08/95/556470895.db2.gz FHNJUILSNBOUNS-UHFFFAOYSA-N 1 0 445.563 3.976 50 0 IHAARO O=c1c2c(ncn1Cc1ccncc1)sc1c2CC[C@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC000015006527 556481864 /nfs/dbraw/zinc/48/18/64/556481864.db2.gz LWSSVJDPPXXRRW-KRWDZBQOSA-N 1 0 438.503 3.827 50 0 IHAARO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000015064488 556492162 /nfs/dbraw/zinc/49/21/62/556492162.db2.gz TYRFCESZEKAWHT-UHFFFAOYSA-N 1 0 447.539 3.940 50 0 IHAARO O=c1c2c3c(sc2ncn1Cc1ccccc1Cl)C[C@@H]([NH2+]Cc1ccon1)CC3 ZINC000015070422 556495263 /nfs/dbraw/zinc/49/52/63/556495263.db2.gz OXWCWFOOQKQDIL-AWEZNQCLSA-N 1 0 426.929 3.795 50 0 IHAARO COCCNC(=O)c1ccccc1NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000013479818 556507952 /nfs/dbraw/zinc/50/79/52/556507952.db2.gz DWJYZIQNVCCBTM-UHFFFAOYSA-N 1 0 443.547 3.873 50 0 IHAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)C(C)(C)C)cc1 ZINC000016038901 556578048 /nfs/dbraw/zinc/57/80/48/556578048.db2.gz RBXHDMQFILOTPL-CBPXPLCBSA-N 1 0 430.504 3.826 50 0 IHAARO CN(C(=O)c1cnc(-c2ccc3c(c2)OCO3)nc1Nc1ccccc1F)[C@@H]1CC[N@H+](C)C1 ZINC000034921965 556586594 /nfs/dbraw/zinc/58/65/94/556586594.db2.gz VIWKYYRUYWTUFW-MRXNPFEDSA-N 1 0 449.486 3.531 50 0 IHAARO Cc1ccc(C[NH2+]Cc2ccc(OC[C@@H](O)c3ccc4c(c3)n(C)c(=O)n4C)cc2)cc1 ZINC000016292418 556598152 /nfs/dbraw/zinc/59/81/52/556598152.db2.gz RYBQCEZHIIKYGK-RUZDIDTESA-N 1 0 431.536 3.588 50 0 IHAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000032986405 556605982 /nfs/dbraw/zinc/60/59/82/556605982.db2.gz DXEGFKLXGSXYJP-QFIPXVFZSA-N 1 0 425.960 3.583 50 0 IHAARO C[C@@H](CC[NH+]1CCN(c2ccccc2)CC1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000032916437 556615264 /nfs/dbraw/zinc/61/52/64/556615264.db2.gz BZLXSZHACGLEBH-KRWDZBQOSA-N 1 0 441.519 3.585 50 0 IHAARO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000016599223 556616796 /nfs/dbraw/zinc/61/67/96/556616796.db2.gz QYVJZEBCFRMZEI-WMZHIEFXSA-N 1 0 443.613 3.591 50 0 IHAARO Cc1oc(-c2ccc(C)cc2)nc1C[S@](=O)CC(=O)NCCC[NH+]1CCCCCC1 ZINC000005058064 556628067 /nfs/dbraw/zinc/62/80/67/556628067.db2.gz QTWZLYVCMPNPRU-SSEXGKCCSA-N 1 0 431.602 3.589 50 0 IHAARO O=C1[C@H]2[C@H]3CCC[N@@H+]3[C@H](c3ccc(Br)cc3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000043732504 556665021 /nfs/dbraw/zinc/66/50/21/556665021.db2.gz PBDKIJISGUZBQN-YDZRNGNQSA-N 1 0 429.289 3.913 50 0 IHAARO O=S(=O)(c1ccc(Br)cc1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000017103263 556667625 /nfs/dbraw/zinc/66/76/25/556667625.db2.gz ITTRFDOGOCJNCK-UHFFFAOYSA-N 1 0 439.419 3.724 50 0 IHAARO C[C@]1(C2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)NC(=O)N(C2Cc3ccccc3C2)C1=O ZINC000011964526 556677476 /nfs/dbraw/zinc/67/74/76/556677476.db2.gz QETIZIJOWULYGA-HHHXNRCGSA-N 1 0 442.563 3.858 50 0 IHAARO CC[NH+](CC)CCN(CCOC)CC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000072313470 556693497 /nfs/dbraw/zinc/69/34/97/556693497.db2.gz BFHFCDICBCOZQT-UHFFFAOYSA-N 1 0 430.618 3.603 50 0 IHAARO C[N@H+](CCCNC(=O)CCCn1c(=O)c2cccn2c2ccc(F)cc21)C1CCCCC1 ZINC000033031788 556711921 /nfs/dbraw/zinc/71/19/21/556711921.db2.gz VPOATBFARIKPQP-UHFFFAOYSA-N 1 0 440.563 3.944 50 0 IHAARO CC[NH+](CC)Cc1cccc(NC(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)c1 ZINC000060342564 556712835 /nfs/dbraw/zinc/71/28/35/556712835.db2.gz WSYWBUKMIXMJGE-UHFFFAOYSA-N 1 0 435.503 3.640 50 0 IHAARO Cc1oc(-c2cccs2)nc1CN1CCC([NH+]2CCC(C(=O)NC(C)C)CC2)CC1 ZINC000019217702 556713118 /nfs/dbraw/zinc/71/31/18/556713118.db2.gz RURYXYFPJYVLST-UHFFFAOYSA-N 1 0 430.618 3.913 50 0 IHAARO C[C@H]1CC[C@@H]2[N@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5C[C@@H](O)CC[C@@]45C)[C@@H]3CC[C@H]1[C@]2(C)O ZINC000068590647 556718459 /nfs/dbraw/zinc/71/84/59/556718459.db2.gz IQDIERHFZVCNRZ-KIONOUBGSA-N 1 0 429.645 3.886 50 0 IHAARO Clc1ccc(OCC[NH+]2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000054290489 556730202 /nfs/dbraw/zinc/73/02/02/556730202.db2.gz QXQLAVSINLJPCT-UHFFFAOYSA-N 1 0 434.931 3.670 50 0 IHAARO O=C(CSc1n[nH]c(-c2ccc(Cl)cc2)n1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000019317254 556736103 /nfs/dbraw/zinc/73/61/03/556736103.db2.gz NZFIJMBHFYGWFP-GOSISDBHSA-N 1 0 427.961 3.608 50 0 IHAARO CC[NH+](CC)CCn1c(=O)nc(SCC(=O)Nc2ccccc2C)c2c1CCCC2 ZINC000005254357 556747281 /nfs/dbraw/zinc/74/72/81/556747281.db2.gz KFDAHWRTJMZOAA-UHFFFAOYSA-N 1 0 428.602 3.503 50 0 IHAARO CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)NCc1ccccc1C[NH+](C)C ZINC000058158613 556763443 /nfs/dbraw/zinc/76/34/43/556763443.db2.gz IZQXUYGSKLCRRT-UHFFFAOYSA-N 1 0 441.963 3.760 50 0 IHAARO O=c1ccn(C[NH+]2CCN(Cc3ccccc3F)CC2)c2c(OC(F)(F)F)cccc12 ZINC000058158568 556763565 /nfs/dbraw/zinc/76/35/65/556763565.db2.gz DBMNXMQIIHDHML-UHFFFAOYSA-N 1 0 435.421 3.815 50 0 IHAARO COc1ccc(NC(=O)[C@H]2C[C@H](CCSC)[NH2+][C@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000061999527 556764040 /nfs/dbraw/zinc/76/40/40/556764040.db2.gz HRLOHOFQOKEEDX-ORHBMQHOSA-N 1 0 445.972 3.866 50 0 biogenic IHAARO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000058173773 556768765 /nfs/dbraw/zinc/76/87/65/556768765.db2.gz IAIXLBKGBXHOOB-HXUWFJFHSA-N 1 0 446.599 3.798 50 0 IHAARO COc1ccc(Cl)cc1NC(=O)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000065365911 556836150 /nfs/dbraw/zinc/83/61/50/556836150.db2.gz DKFYYCMUUSALNK-UHFFFAOYSA-N 1 0 439.907 3.631 50 0 IHAARO O=C(CCOc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2cccc3nonc32)CC1 ZINC000067654531 556845497 /nfs/dbraw/zinc/84/54/97/556845497.db2.gz RCSGVKVNEMJYPD-UHFFFAOYSA-N 1 0 446.511 3.664 50 0 IHAARO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)C1CCN(c2nc3ccccc3[nH]2)CC1 ZINC000033071037 556851299 /nfs/dbraw/zinc/85/12/99/556851299.db2.gz IGVXJCFNRBDBKJ-UHFFFAOYSA-N 1 0 445.611 3.850 50 0 IHAARO O=C(NCC[NH+]1CCCCCC1)C1CCN(c2nccnc2Sc2ccccc2)CC1 ZINC000033168636 556880541 /nfs/dbraw/zinc/88/05/41/556880541.db2.gz MZGVRUOZJGIBAO-UHFFFAOYSA-N 1 0 439.629 3.836 50 0 IHAARO CC(C)[N@H+](CCNC(=O)[C@H]1CCC(=O)N1Cc1ccccc1Cl)Cc1ccccc1 ZINC000004712500 556890301 /nfs/dbraw/zinc/89/03/01/556890301.db2.gz BVBUPUJNJNDVRH-JOCHJYFZSA-N 1 0 427.976 3.858 50 0 IHAARO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2c(C)n(C)n(-c3ccccc3)c2=O)C1 ZINC000019745092 556891696 /nfs/dbraw/zinc/89/16/96/556891696.db2.gz HDHJVJBELPCUAC-HHHXNRCGSA-N 1 0 447.579 3.872 50 0 IHAARO O=C(CCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)NCC[NH+]1CCCCC1 ZINC000033255161 556894739 /nfs/dbraw/zinc/89/47/39/556894739.db2.gz JXMHFNARHKXLTM-UHFFFAOYSA-N 1 0 446.551 3.803 50 0 IHAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(OC)c(Cn4cncn4)c3)C2)cc1F ZINC000019837333 556928406 /nfs/dbraw/zinc/92/84/06/556928406.db2.gz ADYKQLXREFYNAN-LJQANCHMSA-N 1 0 438.503 3.578 50 0 IHAARO Cc1cc(O)c([C@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)c(=O)n1Cc1ccccc1 ZINC000023086399 556997343 /nfs/dbraw/zinc/99/73/43/556997343.db2.gz FATXIGPOXWFLNW-DEOSSOPVSA-N 1 0 437.971 3.901 50 0 IHAARO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1CC ZINC000022777639 557042589 /nfs/dbraw/zinc/04/25/89/557042589.db2.gz RELJNUHHANEZHV-FUHWJXTLSA-N 1 0 429.586 3.993 50 0 IHAARO CC1CC[NH+]([C@@H](CNC(=O)CCc2nc(-c3ccccn3)no2)c2cccs2)CC1 ZINC000048287491 557053131 /nfs/dbraw/zinc/05/31/31/557053131.db2.gz BBUGPSWPQDNSFK-SFHVURJKSA-N 1 0 425.558 3.715 50 0 IHAARO CC[NH+](CC)[C@H](CNC(=O)[C@H](NC(=O)C1CCCCC1)C(C)C)c1cccc(OC)c1 ZINC000022969341 557055139 /nfs/dbraw/zinc/05/51/39/557055139.db2.gz UUPJTJGJUZKZQU-DHIUTWEWSA-N 1 0 431.621 3.915 50 0 IHAARO CC[NH+](CC)[C@H](CNC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)c1cccc(OC)c1 ZINC000023074855 557061800 /nfs/dbraw/zinc/06/18/00/557061800.db2.gz DSOCXWJSUIBEAE-HSZRJFAPSA-N 1 0 448.567 3.880 50 0 IHAARO COc1cc(Br)c(C[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1OC ZINC000048340970 557070547 /nfs/dbraw/zinc/07/05/47/557070547.db2.gz ZHLZTIZEJSZTOX-LBPRGKRZSA-N 1 0 443.363 3.689 50 0 IHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc(CS(C)(=O)=O)cc2)C1 ZINC000048344583 557071739 /nfs/dbraw/zinc/07/17/39/557071739.db2.gz ZZQZEOSPTSJZGI-RTBURBONSA-N 1 0 428.598 3.639 50 0 IHAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(c2nccc3c(C)nn(CC)c32)CC1 ZINC000033299121 557075208 /nfs/dbraw/zinc/07/52/08/557075208.db2.gz NMDDRSOFLZTDHA-OAQYLSRUSA-N 1 0 440.636 3.747 50 0 IHAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)CCN3C(=S)N=NC3c3cccs3)CC2)cc1 ZINC000023243414 557077738 /nfs/dbraw/zinc/07/77/38/557077738.db2.gz FSTRWZOULXNADW-UHFFFAOYSA-N 1 0 441.626 3.728 50 0 IHAARO C[N@@H+]1CCc2nc(-c3ccccc3)n(CC(=O)Nc3cc(Cl)ccc3Cl)c(=O)c2C1 ZINC000049400661 557096136 /nfs/dbraw/zinc/09/61/36/557096136.db2.gz CTEHGSIQPXXOJU-UHFFFAOYSA-N 1 0 443.334 3.844 50 0 IHAARO CCc1nc(-c2ccc(-n3ccc(C(=O)N4CC[NH+](C5CCCCC5)CC4)n3)cc2)no1 ZINC000049408741 557103756 /nfs/dbraw/zinc/10/37/56/557103756.db2.gz DPBCBBPNIGIEHB-UHFFFAOYSA-N 1 0 434.544 3.575 50 0 IHAARO Cc1c2ccc(O)cc2oc(=O)c1CC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000409415084 557110077 /nfs/dbraw/zinc/11/00/77/557110077.db2.gz SSSDFYLODJMLTF-UHFFFAOYSA-N 1 0 436.508 3.853 50 0 biogenic IHAARO O=C(c1ccco1)N1CCC(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000023865821 557121238 /nfs/dbraw/zinc/12/12/38/557121238.db2.gz QVHPZVZSGCLWLW-UHFFFAOYSA-N 1 0 431.536 3.629 50 0 IHAARO Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc2)cc1 ZINC000011422673 557146108 /nfs/dbraw/zinc/14/61/08/557146108.db2.gz MUCQFMGNVYYNKQ-UHFFFAOYSA-N 1 0 429.586 3.835 50 0 IHAARO O=C(/C=C/c1ccccc1)N1CCC(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000025384363 557206562 /nfs/dbraw/zinc/20/65/62/557206562.db2.gz OYWGSKNWCALNBB-NEQMZLFVSA-N 1 0 437.609 3.953 50 0 IHAARO CC(=O)CCc1ccc(OC[C@H](O)C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000025638271 557220367 /nfs/dbraw/zinc/22/03/67/557220367.db2.gz SDIARYLNUJEAQG-JOCHJYFZSA-N 1 0 430.976 3.732 50 0 IHAARO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCn1ccc2cccc(OC)c21 ZINC000583648162 557241278 /nfs/dbraw/zinc/24/12/78/557241278.db2.gz SPTNEQWEJPIDRG-FGZHOGPDSA-N 1 0 427.589 3.780 50 0 biogenic IHAARO COCCN(C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@H]1c1cccc(F)c1)C(=O)COC ZINC000247851379 557350666 /nfs/dbraw/zinc/35/06/66/557350666.db2.gz RSJXFMKCAQJGIB-OFNKIYASSA-N 1 0 448.966 3.816 50 0 IHAARO CC[NH+]1CCN([C@H](c2ccc(F)cc2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1 ZINC000023478425 557363602 /nfs/dbraw/zinc/36/36/02/557363602.db2.gz XMGUXSJULBIRLU-RUZDIDTESA-N 1 0 435.543 3.777 50 0 IHAARO COc1ccc([C@H](CNC(=O)CCc2c(C)nc3cc(C)nn3c2C)[NH+]2CCCC2)cc1 ZINC000023487398 557363881 /nfs/dbraw/zinc/36/38/81/557363881.db2.gz KSFVRWGSJMRGCC-QHCPKHFHSA-N 1 0 435.572 3.549 50 0 IHAARO O=C(NCc1ccccc1)[C@@H]1Cc2ccccc2N2CC[N@H+](CCc3ccccc3)C[C@H]12 ZINC000104915987 557464748 /nfs/dbraw/zinc/46/47/48/557464748.db2.gz JFFQKHVYNGGCSQ-XNMGPUDCSA-N 1 0 425.576 3.909 50 0 IHAARO Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CC[N@@H+]5CCC[C@@H]5C4)c3n2)cc1 ZINC000002753479 557521904 /nfs/dbraw/zinc/52/19/04/557521904.db2.gz MHNNEIFFBMDCCR-MRXNPFEDSA-N 1 0 429.446 3.644 50 0 IHAARO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000106535190 557529930 /nfs/dbraw/zinc/52/99/30/557529930.db2.gz UOUDTJKJGXFWJA-ZDQHKECQSA-N 1 0 449.938 3.696 50 0 IHAARO CCc1c(C)sc2nc3n(CC[NH+](C)C)nc(SCc4ccccc4)n3c(=O)c12 ZINC000040288032 557716431 /nfs/dbraw/zinc/71/64/31/557716431.db2.gz MSEUAJVLGTZLPW-UHFFFAOYSA-N 1 0 427.599 3.830 50 0 IHAARO COc1ccc([C@@H](CNC(=O)[C@@H](C)n2ccc3ccccc3c2=O)[NH+]2CCCCC2)cc1 ZINC000225747573 557772486 /nfs/dbraw/zinc/77/24/86/557772486.db2.gz XFVOTQLUMXBOJM-NTKDMRAZSA-N 1 0 433.552 3.915 50 0 IHAARO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)CC[C@H]3Cc4ccccc4NC3=O)cc2)C[C@@H](C)O1 ZINC000229580008 557832848 /nfs/dbraw/zinc/83/28/48/557832848.db2.gz FLDPUDIBDQLUPU-PWHSHALESA-N 1 0 435.568 3.503 50 0 IHAARO CCOC(=O)c1c2c(sc1NC(=O)CSC1=NCCS1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000018768161 557856911 /nfs/dbraw/zinc/85/69/11/557856911.db2.gz JCIRVVNOIRNDAB-UHFFFAOYSA-N 1 0 441.644 3.859 50 0 IHAARO C[NH+](C)CCNc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 ZINC000002394765 562927373 /nfs/dbraw/zinc/92/73/73/562927373.db2.gz HLTIZFQGEAGFII-UHFFFAOYSA-N 1 0 426.590 3.665 50 0 IHAARO Cc1ccc(CS(=O)(=O)Cc2ccc(C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)o2)cc1 ZINC000002966676 562931283 /nfs/dbraw/zinc/93/12/83/562931283.db2.gz XDHRPRFPIIXOAF-BGYRXZFFSA-N 1 0 446.613 3.801 50 0 IHAARO C[C@@H](Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000006659594 562948131 /nfs/dbraw/zinc/94/81/31/562948131.db2.gz CBWCIYAAMGAWQK-OAHLLOKOSA-N 1 0 426.557 3.865 50 0 IHAARO Cc1nn([C@@H](C)C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c(=O)c2c3ccccc3sc21 ZINC000006799182 562948368 /nfs/dbraw/zinc/94/83/68/562948368.db2.gz RIQISVHBIQROHC-RDJZCZTQSA-N 1 0 426.586 3.861 50 0 IHAARO COc1ccc(OC)c([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)c1 ZINC000008601379 562955285 /nfs/dbraw/zinc/95/52/85/562955285.db2.gz OMTXJQUPLRWQGK-JOCHJYFZSA-N 1 0 436.508 3.616 50 0 IHAARO Cc1oc(-c2ccc(C)cc2)nc1C[S@](=O)CC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000008671776 562960983 /nfs/dbraw/zinc/96/09/83/562960983.db2.gz OEVNUWITNDTCCO-LAQJXLFFSA-N 1 0 445.629 3.691 50 0 aggregator IHAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000009139474 562967726 /nfs/dbraw/zinc/96/77/26/562967726.db2.gz CVOIPTMSKKZDPX-IBGZPJMESA-N 1 0 443.613 3.678 50 0 IHAARO CC(C)[N@H+](CCCNC(=O)Cn1c(=O)c2cccn2c2ccc(F)cc21)Cc1ccccc1 ZINC000009406262 562970130 /nfs/dbraw/zinc/97/01/30/562970130.db2.gz VJKAICNGDWNSNU-UHFFFAOYSA-N 1 0 448.542 3.810 50 0 IHAARO COc1cccc(C[N@H+](C[C@H](O)COC(C)C)C[C@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000104984775 568623435 /nfs/dbraw/zinc/62/34/35/568623435.db2.gz CGQFKFQAFUSAAF-JTHBVZDNSA-N 1 0 430.520 3.615 50 0 IHAARO O=C(c1cn2cc(-c3ccc4c(c3)OCO4)ccc2n1)N1CCN(Cc2ccccc2)CC1 ZINC000034831160 568738436 /nfs/dbraw/zinc/73/84/36/568738436.db2.gz DRBPIFNBIXKZPJ-UHFFFAOYSA-N 1 0 440.503 3.688 50 0 IHAARO C[NH+](C)CCNC(=O)[C@@H]1C[C@H](Sc2ccc(F)cc2)CN1Cc1ccccc1Cl ZINC000299796309 568757985 /nfs/dbraw/zinc/75/79/85/568757985.db2.gz PQPFSJGUFXSFOL-FPOVZHCZSA-N 1 0 435.996 3.892 50 0 IHAARO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(F)cc2)CC1 ZINC000084744452 568800803 /nfs/dbraw/zinc/80/08/03/568800803.db2.gz IBCQBLWXBNDQDO-UHFFFAOYSA-N 1 0 443.567 3.628 50 0 IHAARO CC1=C(C(=O)Nc2cccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c2)SCCO1 ZINC000015678153 568804754 /nfs/dbraw/zinc/80/47/54/568804754.db2.gz TWZXNJJIKCXULM-UHFFFAOYSA-N 1 0 429.586 3.711 50 0 IHAARO CCCC[N@H+](CC)CCCNC(=O)[C@H]1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000015678996 568805385 /nfs/dbraw/zinc/80/53/85/568805385.db2.gz MVEWBHMMHZZEAH-FQEVSTJZSA-N 1 0 443.592 3.590 50 0 IHAARO COc1ccc(OC)c(Nc2ncc3c(n2)CCN(Cc2ccc(OC)c(OC)c2)C3)c1 ZINC000015779095 568824678 /nfs/dbraw/zinc/82/46/78/568824678.db2.gz VYKLGBZJWPRTNO-UHFFFAOYSA-N 1 0 436.512 3.813 50 0 IHAARO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000229551346 568886892 /nfs/dbraw/zinc/88/68/92/568886892.db2.gz QYVJZEBCFRMZEI-XXBNENTESA-N 1 0 443.613 3.591 50 0 IHAARO COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000240534491 568911797 /nfs/dbraw/zinc/91/17/97/568911797.db2.gz GOBNOUVKZBLXIK-SFTDATJTSA-N 1 0 441.524 3.636 50 0 IHAARO COc1ccc(N(C[C@@H](O)C[NH+](CC(C)C)CC(C)C)S(=O)(=O)c2ccccc2)cc1 ZINC000001834071 568916134 /nfs/dbraw/zinc/91/61/34/568916134.db2.gz AJLVQLUPJMYMMW-QFIPXVFZSA-N 1 0 448.629 3.865 50 0 IHAARO O[C@H](COCc1ccco1)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000036147209 568962321 /nfs/dbraw/zinc/96/23/21/568962321.db2.gz ATMVDXRQDKRHPM-LADGPHEKSA-N 1 0 438.499 3.992 50 0 IHAARO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C1CCCCC1 ZINC000036159090 568967067 /nfs/dbraw/zinc/96/70/67/568967067.db2.gz TYPHSFAJXHZIPH-INIZCTEOSA-N 1 0 433.618 3.784 50 0 IHAARO CCn1c2ccc(C(=O)NCC3CC[NH+](Cc4ccc(C)cc4)CC3)cc2nc(C)c1=O ZINC000064859072 568972523 /nfs/dbraw/zinc/97/25/23/568972523.db2.gz FCZPOBQHQYGAOE-UHFFFAOYSA-N 1 0 432.568 3.675 50 0 IHAARO COC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C1CC1 ZINC000036306226 568995437 /nfs/dbraw/zinc/99/54/37/568995437.db2.gz QKMVTOWVIVRSKR-FQEVSTJZSA-N 1 0 437.540 3.860 50 0 IHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2cccc(OC)c2)CC1 ZINC000036345678 569080947 /nfs/dbraw/zinc/08/09/47/569080947.db2.gz BXNNHFZADKCKPV-RUZDIDTESA-N 1 0 434.584 3.627 50 0 IHAARO Cc1c(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000006840486 569085792 /nfs/dbraw/zinc/08/57/92/569085792.db2.gz BUJLDIAHGYQFGL-HZPDHXFCSA-N 1 0 430.618 3.591 50 0 IHAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c2c(cn(-c3ccccc3)c1=O)C(=O)CC(C)(C)C2 ZINC000065000771 569086067 /nfs/dbraw/zinc/08/60/67/569086067.db2.gz XLTBPVLDQVRPLZ-GOSISDBHSA-N 1 0 435.568 3.597 50 0 IHAARO CCn1cc(CC[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)c2cccnc21 ZINC000065165006 569112929 /nfs/dbraw/zinc/11/29/29/569112929.db2.gz MGGRLPNFDNPERE-UHFFFAOYSA-N 1 0 434.540 3.721 50 0 IHAARO O=C(c1csc(N2CCN(c3ccccc3)CC2)n1)N1CCC([NH+]2CCCCC2)CC1 ZINC000065211439 569116435 /nfs/dbraw/zinc/11/64/35/569116435.db2.gz FFXFOTKAYQDXHP-UHFFFAOYSA-N 1 0 439.629 3.560 50 0 IHAARO CCCNc1cc(N2CCC[C@@H](CCC(=O)N3CCC[C@H](C[NH+]4CCCC4)C3)C2)ncn1 ZINC000065244915 569121607 /nfs/dbraw/zinc/12/16/07/569121607.db2.gz SPEMXOVPDVJQFC-FCHUYYIVSA-N 1 0 442.652 3.630 50 0 IHAARO COc1cc(OC)c(NC(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1Cl ZINC000065566504 569139417 /nfs/dbraw/zinc/13/94/17/569139417.db2.gz SMNAMPKCTASXSY-GASCZTMLSA-N 1 0 425.957 3.710 50 0 IHAARO CC[C@@H]1CN(C(=O)c2cccc(Cn3nc(C)cc3C)c2)[C@@H](CC)C[N@@H+]1CC(C)(C)O ZINC000170606130 569143934 /nfs/dbraw/zinc/14/39/34/569143934.db2.gz UBLUOPBACAMGHG-PKTZIBPZSA-N 1 0 426.605 3.634 50 0 IHAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@@](F)(COC(=O)CCCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000170609303 569144820 /nfs/dbraw/zinc/14/48/20/569144820.db2.gz RZTMMRGXPSQGAB-CJAUYULYSA-N 1 0 437.515 3.964 50 0 IHAARO Cc1ccc(-c2csc3ncn(CC(=O)NCCC[NH+]4CCC(C)CC4)c(=O)c23)cc1 ZINC000010090206 569152526 /nfs/dbraw/zinc/15/25/26/569152526.db2.gz LBXFALDEIUOMBP-UHFFFAOYSA-N 1 0 438.597 3.672 50 0 IHAARO COC(=O)c1ccc(CCC(=O)Nc2c(C)cnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000089702554 569161897 /nfs/dbraw/zinc/16/18/97/569161897.db2.gz OBIXQJJAHHPBNQ-HSZRJFAPSA-N 1 0 446.551 3.996 50 0 IHAARO Nc1c2c(nn1Cc1ccccc1)nc(NCC[NH+]1CCCC1)nc2-c1cccc(F)c1F ZINC000037360780 569181592 /nfs/dbraw/zinc/18/15/92/569181592.db2.gz JFGFKTCJTYAMEZ-UHFFFAOYSA-N 1 0 449.509 3.910 50 0 IHAARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000252518059 569189326 /nfs/dbraw/zinc/18/93/26/569189326.db2.gz YPCHADOSNDGCAG-RNLGNXJRSA-N 1 0 437.499 3.579 50 0 IHAARO Cc1ccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@@H](O)[C@H]34)CC2)c(C)c1 ZINC000252695002 569211053 /nfs/dbraw/zinc/21/10/53/569211053.db2.gz SVKLPRDZURGQKV-YDRLPJHNSA-N 1 0 438.612 3.710 50 0 biogenic IHAARO CC(C)CN1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)c4cccc5[nH]ccc54)CC3)C2)CC1 ZINC000581819827 569211589 /nfs/dbraw/zinc/21/15/89/569211589.db2.gz NEZMQBOIDOFRFH-OAQYLSRUSA-N 1 0 438.616 3.595 50 0 IHAARO COc1ccc(C(=O)N2CCC3(CC2)C[C@@H]([NH+]2CCN(c4ccccc4)CC2)CCO3)cc1 ZINC000581819728 569211612 /nfs/dbraw/zinc/21/16/12/569211612.db2.gz FOJCUUGZDSMJGA-DEOSSOPVSA-N 1 0 449.595 3.671 50 0 IHAARO C[NH+](C)[C@H](CNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1cccc(F)c1 ZINC000027594145 569274557 /nfs/dbraw/zinc/27/45/57/569274557.db2.gz GROQGNPZDQVCOI-OAQYLSRUSA-N 1 0 427.907 3.722 50 0 IHAARO O=C(C1C[NH+](C(c2ccccc2)c2ccccc2)C1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000225426233 569299906 /nfs/dbraw/zinc/29/99/06/569299906.db2.gz LVCDEWBPDNDHIO-OFNKIYASSA-N 1 0 439.559 3.515 50 0 biogenic IHAARO CCOC(=O)c1ncoc1-c1ccccc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000013356638 569313675 /nfs/dbraw/zinc/31/36/75/569313675.db2.gz ZTCPFCMKPHFPES-UHFFFAOYSA-N 1 0 433.508 3.913 50 0 IHAARO Cc1ccc(C(=O)N(C)CCC[N@H+](C)Cc2ccncc2)cc1I ZINC000328591876 569317054 /nfs/dbraw/zinc/31/70/54/569317054.db2.gz CWUNVGWIVOBMDL-UHFFFAOYSA-N 1 0 437.325 3.589 50 0 IHAARO CCC(CC)[C@H](CNC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000079060612 569323868 /nfs/dbraw/zinc/32/38/68/569323868.db2.gz QZAZJTXUMFDWLB-SFHVURJKSA-N 1 0 436.025 3.904 50 0 IHAARO CCCc1cc(=O)oc2c(C)c(OCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)ccc12 ZINC000079189963 569327904 /nfs/dbraw/zinc/32/79/04/569327904.db2.gz WOAIWQYWCJMDHY-PZJWPPBQSA-N 1 0 426.557 3.813 50 0 biogenic IHAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)NCCCOC(C)C)ccc3n2)CC1 ZINC000020153612 569353520 /nfs/dbraw/zinc/35/35/20/569353520.db2.gz GXHZIRQBFTZZJH-UHFFFAOYSA-N 1 0 429.634 3.787 50 0 IHAARO CC[NH+]1CCN(CCCNC(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)CC1 ZINC000020239183 569357630 /nfs/dbraw/zinc/35/76/30/569357630.db2.gz ZFESXYYIIINIBF-UHFFFAOYSA-N 1 0 446.020 3.713 50 0 IHAARO COc1ccc(-c2nc(CSCC(=O)NCC[N@@H+]3CCCC[C@H]3C)c(C)o2)cc1OC ZINC000020241124 569357909 /nfs/dbraw/zinc/35/79/09/569357909.db2.gz SAJXMRCWBFULIX-MRXNPFEDSA-N 1 0 447.601 3.891 50 0 IHAARO O=C(NC1CCCCC1)N1CC[NH+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000020347432 569361033 /nfs/dbraw/zinc/36/10/33/569361033.db2.gz NUEGGNMLLLYYCW-OAQYLSRUSA-N 1 0 434.584 3.815 50 0 IHAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C2CCN(C(=O)c3cc4sccc4n3C)CC2)C1 ZINC000020383064 569362758 /nfs/dbraw/zinc/36/27/58/569362758.db2.gz DHBODTMLNCWNLZ-ROUUACIJSA-N 1 0 444.645 3.576 50 0 IHAARO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCc1nnc(C(=O)NCc2ccc(C)cc2)s1 ZINC000095946107 569376104 /nfs/dbraw/zinc/37/61/04/569376104.db2.gz AMJMOUZGVXPIDZ-VQTJNVASSA-N 1 0 429.634 3.767 50 0 IHAARO CC(C)N(C(=O)CN1CCC[C@@H](C[N@H+](CC(=O)N(C(C)C)C(C)C)C(C)C)C1)C(C)C ZINC000095979973 569377862 /nfs/dbraw/zinc/37/78/62/569377862.db2.gz HSGKHKSLMUKHDU-HSZRJFAPSA-N 1 0 438.701 3.700 50 0 IHAARO C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CC(=O)Nc1ccccc1C(N)=O ZINC000095995956 569378709 /nfs/dbraw/zinc/37/87/09/569378709.db2.gz BFLSPJCRCZULNB-VOJFVSQTSA-N 1 0 434.359 3.559 50 0 IHAARO CC(C)([C@H](NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000096011857 569379894 /nfs/dbraw/zinc/37/98/94/569379894.db2.gz BWYSOYLODGAVTL-GHTZIAJQSA-N 1 0 433.543 3.645 50 0 IHAARO COc1ccc(/C=C\C(=O)N[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000096314507 569392757 /nfs/dbraw/zinc/39/27/57/569392757.db2.gz IYEMUYOUHJAGCQ-MQGIHEMASA-N 1 0 449.595 3.906 50 0 IHAARO O=C(c1cc2c(s1)CC[C@H](C(=O)N1CC[NH+](C3CCCC3)CC1)C2)N1CCCCC1 ZINC000096398395 569399666 /nfs/dbraw/zinc/39/96/66/569399666.db2.gz BWHJNDQNTJHOHP-SFHVURJKSA-N 1 0 429.630 3.566 50 0 IHAARO C[N@H+](Cc1ccccc1NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1)C1CCCCC1 ZINC000027969015 569404862 /nfs/dbraw/zinc/40/48/62/569404862.db2.gz JYZKQYOTKKJCIX-UHFFFAOYSA-N 1 0 444.601 3.816 50 0 IHAARO CCCC[N@H+](CC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000230066614 569419806 /nfs/dbraw/zinc/41/98/06/569419806.db2.gz FIBQMZRWOABZQK-RPWUZVMVSA-N 1 0 437.584 3.844 50 0 IHAARO CC(=O)c1ccc(N2CCN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)CC2)c(F)c1 ZINC000028904938 569423251 /nfs/dbraw/zinc/42/32/51/569423251.db2.gz JROFZFGPMUPHBZ-UHFFFAOYSA-N 1 0 437.559 3.632 50 0 IHAARO CC[NH+](CC)[C@@H](CNC(=O)NCCc1ccc(OC)c(OC)c1)c1cccc(OC)c1 ZINC000029321329 569429560 /nfs/dbraw/zinc/42/95/60/569429560.db2.gz PMLXVULQEKPBER-NRFANRHFSA-N 1 0 429.561 3.637 50 0 IHAARO Cc1cccc(N2CCN(CC(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)CC2)c1 ZINC000029801912 569433707 /nfs/dbraw/zinc/43/37/07/569433707.db2.gz TVALCHFFFCZIOG-DEOSSOPVSA-N 1 0 441.019 3.724 50 0 IHAARO CCOc1ccccc1OCC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000058171832 569449683 /nfs/dbraw/zinc/44/96/83/569449683.db2.gz ZGAFCEHAKZZQSM-SFHVURJKSA-N 1 0 429.536 3.623 50 0 IHAARO CC(C)CC(=O)Nc1ccc2c(c1)nc1n2CC(=O)N(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000032124187 569460370 /nfs/dbraw/zinc/46/03/70/569460370.db2.gz JQYBOYAVXUNEFG-GHTZIAJQSA-N 1 0 437.588 3.628 50 0 biogenic IHAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CCCCCN1C(=O)c2ccccc2C1=O ZINC000004168055 569460602 /nfs/dbraw/zinc/46/06/02/569460602.db2.gz OSFQUYGPCXYOTG-UPVQGACJSA-N 1 0 445.563 3.986 50 0 IHAARO CC(C)(C)OC(=O)Nc1ccc(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000032196088 569460698 /nfs/dbraw/zinc/46/06/98/569460698.db2.gz CTNAQRBDYUIXAW-UHFFFAOYSA-N 1 0 431.577 3.727 50 0 IHAARO CC[C@H]1CCCCN1C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1CCC[NH+](C)C ZINC000008132739 569462220 /nfs/dbraw/zinc/46/22/20/569462220.db2.gz ZCHTUOKCIUXQGL-MSOLQXFVSA-N 1 0 430.618 3.620 50 0 IHAARO O=C(Cc1csc(NC(=O)C2CCCC2)n1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000038739422 569468335 /nfs/dbraw/zinc/46/83/35/569468335.db2.gz JZMCPMFUWIPWEC-UHFFFAOYSA-N 1 0 426.586 3.595 50 0 IHAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000008864272 569480228 /nfs/dbraw/zinc/48/02/28/569480228.db2.gz NZYRLRIWNJSPPQ-INIZCTEOSA-N 1 0 427.448 3.539 50 0 IHAARO O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000039535826 569481735 /nfs/dbraw/zinc/48/17/35/569481735.db2.gz RVZIWXAEGBCYQT-QFIPXVFZSA-N 1 0 439.987 3.927 50 0 IHAARO Cc1ccccc1[C@@H](CC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)NC(N)=O ZINC000040069611 569485407 /nfs/dbraw/zinc/48/54/07/569485407.db2.gz DJXAUJSFZIYWGJ-WOJBJXKFSA-N 1 0 428.602 3.745 50 0 IHAARO C[N@@H+]1CCC[C@H]1CCNC(=O)c1csc(NC(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000040355581 569499778 /nfs/dbraw/zinc/49/97/78/569499778.db2.gz BDNDOYJVMYYMTH-AWEZNQCLSA-N 1 0 426.464 3.628 50 0 IHAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000040355794 569499782 /nfs/dbraw/zinc/49/97/82/569499782.db2.gz OUAYTLQMYWYUJU-GFCCVEGCSA-N 1 0 427.357 3.916 50 0 IHAARO CCOc1ccccc1/C=C/C(=O)NCC(=O)N1CCC([N@H+](C)[C@H]2CCCC[C@H]2C)CC1 ZINC000245276329 569501957 /nfs/dbraw/zinc/50/19/57/569501957.db2.gz SUUGECADHQEDGQ-QTAANCCMSA-N 1 0 441.616 3.716 50 0 IHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000009120373 569503857 /nfs/dbraw/zinc/50/38/57/569503857.db2.gz FBBQHMOWIKZPJC-UHFFFAOYSA-N 1 0 439.515 3.882 50 0 IHAARO CCOC(=O)C1=C(CN2CCC[C@@H](c3ccccc3)C2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000245343765 569504520 /nfs/dbraw/zinc/50/45/20/569504520.db2.gz ZBQSSJLIMGTJJC-YKSBVNFPSA-N 1 0 449.551 3.746 50 0 IHAARO NC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccccc2)C1 ZINC000009125546 569504635 /nfs/dbraw/zinc/50/46/35/569504635.db2.gz CYEBBBMBHFTKCX-ZCYQVOJMSA-N 1 0 440.547 3.715 50 0 IHAARO COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000009269236 569517574 /nfs/dbraw/zinc/51/75/74/569517574.db2.gz YYNVGJQILZLZGI-UHFFFAOYSA-N 1 0 443.569 3.720 50 0 IHAARO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O ZINC000070006487 569527965 /nfs/dbraw/zinc/52/79/65/569527965.db2.gz TYJNLJNVJBONJI-HXUWFJFHSA-N 1 0 447.579 3.910 50 0 IHAARO COc1ccc(Cl)c2sc(N(CC[NH+](C)C)C(=O)[C@H]3COc4ccccc4O3)nc21 ZINC000009452428 569536553 /nfs/dbraw/zinc/53/65/53/569536553.db2.gz XFIFGZBABGZVMD-QGZVFWFLSA-N 1 0 447.944 3.693 50 0 IHAARO CCS(=O)(=O)c1cccc(C(=O)N(CCC[NH+](C)C)c2nc3ccccc3s2)c1 ZINC000009707922 569561799 /nfs/dbraw/zinc/56/17/99/569561799.db2.gz OAVKOWFDJCORAX-UHFFFAOYSA-N 1 0 431.583 3.688 50 0 IHAARO COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)NCC1CC[NH+](Cc2ccccc2F)CC1 ZINC000009728542 569564159 /nfs/dbraw/zinc/56/41/59/569564159.db2.gz ZCZCXFQBAXXDFA-UHFFFAOYSA-N 1 0 448.542 3.965 50 0 IHAARO O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000009743203 569565477 /nfs/dbraw/zinc/56/54/77/569565477.db2.gz SBLKIHNQMQZSSI-LJQANCHMSA-N 1 0 448.548 3.671 50 0 IHAARO CC[NH+](CC)CCCn1c2c(c(SCC(=O)Nc3cc(C)ccc3C)nc1=O)CCC2 ZINC000009746414 569565784 /nfs/dbraw/zinc/56/57/84/569565784.db2.gz NBXXLLAMDNFYIG-UHFFFAOYSA-N 1 0 442.629 3.812 50 0 IHAARO Cc1ccc2c(c1)NC(=O)[C@@H](CC(=O)NCCC[NH+]1CCC(Cc3ccccc3)CC1)O2 ZINC000009833639 569570431 /nfs/dbraw/zinc/57/04/31/569570431.db2.gz ZIEIKYNGHLJILB-XMMPIXPASA-N 1 0 435.568 3.546 50 0 IHAARO Cn1nc(C(=O)NCC[NH+]2CCC(Cc3ccccc3)CC2)c2c1-c1ccccc1OC2 ZINC000009857774 569571689 /nfs/dbraw/zinc/57/16/89/569571689.db2.gz BSVZDAVRCRRCNO-UHFFFAOYSA-N 1 0 430.552 3.664 50 0 IHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000010283701 569580456 /nfs/dbraw/zinc/58/04/56/569580456.db2.gz COJHHTPUPUTHRD-UHFFFAOYSA-N 1 0 445.519 3.848 50 0 IHAARO COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2cccc3ccccc32)[NH+]2CCCC2)c1 ZINC000010335678 569581093 /nfs/dbraw/zinc/58/10/93/569581093.db2.gz HHNHJTKNMSBRRH-JOCHJYFZSA-N 1 0 440.565 3.972 50 0 IHAARO COc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)[NH+]2CCCC2)c(OC)c1 ZINC000010334011 569581100 /nfs/dbraw/zinc/58/11/00/569581100.db2.gz FJCLNDOTDKWEEV-QHCPKHFHSA-N 1 0 447.535 3.749 50 0 IHAARO CCCC[N@H+](CCCNC(=O)CN1c2ccccc2O[C@H](CC)C1=O)Cc1ccccc1 ZINC000008812297 132294619 /nfs/dbraw/zinc/29/46/19/132294619.db2.gz UMSBJLUNIMIUSX-HSZRJFAPSA-N 1 0 437.584 3.999 50 0 IHAARO CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000009478038 132319040 /nfs/dbraw/zinc/31/90/40/132319040.db2.gz XIYBGGJHXAURQX-UHFFFAOYSA-N 1 0 438.503 3.635 50 0 IHAARO O=C(/C=C/c1ccc(OCc2cn3ccccc3n2)cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000009835375 132329730 /nfs/dbraw/zinc/32/97/30/132329730.db2.gz QGDYOZYYXNMJKC-RMKNXTFCSA-N 1 0 439.519 3.670 50 0 IHAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)COc2ccc(C(C)C)cc2)CC1 ZINC000009908011 132331614 /nfs/dbraw/zinc/33/16/14/132331614.db2.gz MKEKPLMKNZOKLI-UHFFFAOYSA-N 1 0 439.556 3.756 50 0 IHAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cc(Cl)ccc2OC)CC1 ZINC000010059891 132334483 /nfs/dbraw/zinc/33/44/83/132334483.db2.gz TYEFNPSUKULDQA-UHFFFAOYSA-N 1 0 431.920 3.529 50 0 IHAARO C/C(=C\c1ccccc1)C[NH+]1CCN(c2cccc3c2C(=O)N(C[C@H]2CCCO2)C3=O)CC1 ZINC000012211325 518444015 /nfs/dbraw/zinc/44/40/15/518444015.db2.gz NYYQLOLVVOHSGQ-YMQJMOIJSA-N 1 0 445.563 3.687 50 0 IHAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3nn(C)c(=O)c4ccccc43)C2)cc1 ZINC000012458721 519437393 /nfs/dbraw/zinc/43/73/93/519437393.db2.gz UCHCSSUSKMASQA-NRFANRHFSA-N 1 0 432.568 3.526 50 0 IHAARO CC(C)Cc1ccc(C[N@H+]2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)cc1 ZINC000020451760 519439341 /nfs/dbraw/zinc/43/93/41/519439341.db2.gz UOGQKRCWZFSNIN-UHFFFAOYSA-N 1 0 435.547 3.604 50 0 IHAARO CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000012558252 519482661 /nfs/dbraw/zinc/48/26/61/519482661.db2.gz HBMVPHMXYNLFKA-HSZRJFAPSA-N 1 0 438.959 3.995 50 0 IHAARO CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](C1Cc3ccccc3C1)CC2 ZINC000014732904 519719607 /nfs/dbraw/zinc/71/96/07/519719607.db2.gz YKWIHIMOYVHKRY-UHFFFAOYSA-N 1 0 432.568 3.504 50 0 IHAARO CCC[NH+]1CCN([C@H]2CCc3c(sc4ncn(CC5CCCCC5)c(=O)c34)C2)CC1 ZINC000020600153 519860258 /nfs/dbraw/zinc/86/02/58/519860258.db2.gz XBRDURMXJAAYHJ-IBGZPJMESA-N 1 0 428.646 3.923 50 0 IHAARO CCOCCC[NH2+][C@@H]1CCc2c(sc3ncn(CCCc4ccccc4)c(=O)c32)C1 ZINC000015005901 519898214 /nfs/dbraw/zinc/89/82/14/519898214.db2.gz WLMSUBDVKVUOBI-LJQANCHMSA-N 1 0 425.598 3.964 50 0 IHAARO CCOCCC[NH2+][C@H]1CCc2c(sc3ncn(CCc4ccc(OC)cc4)c(=O)c32)C1 ZINC000012455548 519898592 /nfs/dbraw/zinc/89/85/92/519898592.db2.gz GDZKPEYWFULTMO-SFHVURJKSA-N 1 0 441.597 3.583 50 0 IHAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2cccn2-c2ncccn2)CC1 ZINC000012224236 520459017 /nfs/dbraw/zinc/45/90/17/520459017.db2.gz BSXZIRSPMVTEDO-UHFFFAOYSA-N 1 0 434.540 3.882 50 0 IHAARO CC[NH+](CC)CCN(C(=O)C1=COCCO1)c1nc2ccc(Br)cc2s1 ZINC000012140850 520639704 /nfs/dbraw/zinc/63/97/04/520639704.db2.gz GUCRDJUYOGQHKQ-UHFFFAOYSA-N 1 0 440.363 3.622 50 0 IHAARO CCN(CC[NH+](CC)CC)C(=O)c1cnn(-c2nccc(-c3ccc(C)o3)n2)c1C1CC1 ZINC000012278377 520644439 /nfs/dbraw/zinc/64/44/39/520644439.db2.gz KTTKHEMOIBRADR-UHFFFAOYSA-N 1 0 436.560 3.912 50 0 IHAARO CC[NH+](CC)CCNC(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000021212763 520680224 /nfs/dbraw/zinc/68/02/24/520680224.db2.gz KRSADPPNCPPIKC-HNNXBMFYSA-N 1 0 444.626 3.731 50 0 IHAARO CC1CCN(c2ccc(-c3noc(C(=O)NCCC[N@@H+]4CCC[C@@H](C)C4)n3)cc2)CC1 ZINC000035457364 521037936 /nfs/dbraw/zinc/03/79/36/521037936.db2.gz GONMMYBNDHNRSH-LJQANCHMSA-N 1 0 425.577 3.825 50 0 IHAARO CCC(=O)N(CC[NH+]1CCCCC1)CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1 ZINC000035809323 521087385 /nfs/dbraw/zinc/08/73/85/521087385.db2.gz XNFCKJVFHXSDFX-UHFFFAOYSA-N 1 0 439.600 3.884 50 0 IHAARO CCOC(=O)c1c(C)c(CCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(C)n1C ZINC000035447532 521391453 /nfs/dbraw/zinc/39/14/53/521391453.db2.gz MVPBLCNGLVHUKU-UHFFFAOYSA-N 1 0 425.573 3.532 50 0 IHAARO CCCn1c(CN2CC[NH+](CC)CC2)nc2cc(NC(=O)c3ccc(OC)cc3)ccc21 ZINC000020678014 521629422 /nfs/dbraw/zinc/62/94/22/521629422.db2.gz SAKUEIGTRZRDFF-UHFFFAOYSA-N 1 0 435.572 3.845 50 0 IHAARO CCC[NH+](CCC)Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)o1 ZINC000021535869 521648988 /nfs/dbraw/zinc/64/89/88/521648988.db2.gz HVZPAXSZBLROMX-UHFFFAOYSA-N 1 0 433.574 3.655 50 0 IHAARO CCCn1cc(C[NH+]2CCC(Oc3cc(OC)ccc3C(=O)NC3CC3)CC2)c(C)n1 ZINC000012585639 521651995 /nfs/dbraw/zinc/65/19/95/521651995.db2.gz LWQZFQPAHDAHPS-UHFFFAOYSA-N 1 0 426.561 3.546 50 0 IHAARO C[NH+](C)Cc1ccccc1CNc1nc(CN2CCOCC2)nc2sc3c(c21)CCC3 ZINC000012879084 521934737 /nfs/dbraw/zinc/93/47/37/521934737.db2.gz HFNSLMUBWSWKCC-UHFFFAOYSA-N 1 0 437.613 3.686 50 0 IHAARO CN(C)S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000012702455 521966633 /nfs/dbraw/zinc/96/66/33/521966633.db2.gz PTROKXMYIZYEIQ-SFHVURJKSA-N 1 0 437.993 3.740 50 0 IHAARO CN(Cc1ccc(Br)cc1)C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012327002 523198128 /nfs/dbraw/zinc/19/81/28/523198128.db2.gz WHEHKTFQUVSOKI-SFHVURJKSA-N 1 0 444.373 3.758 50 0 IHAARO COc1ccc(-n2cc(C(=O)NCC[N@H+](C)C3CCCCC3)c3ccccc3c2=O)cc1 ZINC000020508950 523326450 /nfs/dbraw/zinc/32/64/50/523326450.db2.gz SJLMZVHAYOVJLG-UHFFFAOYSA-N 1 0 433.552 3.994 50 0 IHAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)c1ccc(OC)cc1OC ZINC000012585817 523689293 /nfs/dbraw/zinc/68/92/93/523689293.db2.gz UDXJNUNVDWFIJP-UHFFFAOYSA-N 1 0 444.547 3.844 50 0 IHAARO C[NH+]1CCC(N2CCC[C@@H](NC(=O)c3cc(-c4ccccc4)nn3-c3ccccc3)C2)CC1 ZINC000012464362 523767028 /nfs/dbraw/zinc/76/70/28/523767028.db2.gz OFFBZDALZZJXMN-JOCHJYFZSA-N 1 0 443.595 3.828 50 0 IHAARO C[NH+]1CCC(N2CCC[C@H](NC(=O)c3cc(-c4ccccc4)nn3-c3ccccc3)C2)CC1 ZINC000012464366 523769613 /nfs/dbraw/zinc/76/96/13/523769613.db2.gz OFFBZDALZZJXMN-QFIPXVFZSA-N 1 0 443.595 3.828 50 0 IHAARO C[NH+]1CCN(CCOc2ccc3c(c2)occ(-c2ccc(Br)cc2)c3=O)CC1 ZINC000020591263 523904609 /nfs/dbraw/zinc/90/46/09/523904609.db2.gz QJBGRDGDAWBYNC-UHFFFAOYSA-N 1 0 443.341 3.849 50 0 IHAARO C[NH+]1CCN(c2nc3nn(-c4ccc(F)cc4)c(N)c3c(-c3ccccc3Cl)n2)CC1 ZINC000035929732 523929853 /nfs/dbraw/zinc/92/98/53/523929853.db2.gz MBSHXYBPQBNFGN-UHFFFAOYSA-N 1 0 437.910 3.609 50 0 IHAARO C[NH+](C)C1(CNC(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)CCCCCC1 ZINC000012889444 524035704 /nfs/dbraw/zinc/03/57/04/524035704.db2.gz YTGXPQGRDIEDAM-UHFFFAOYSA-N 1 0 435.568 3.987 50 0 IHAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3c(C)nn(C)c3Cl)C2)c(OC)c1 ZINC000012709608 524048120 /nfs/dbraw/zinc/04/81/20/524048120.db2.gz BOCDJFUHENGPHO-QGZVFWFLSA-N 1 0 448.995 3.708 50 0 IHAARO COc1cccc([C@@H](CNC(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)[NH+]2CCCC2)c1 ZINC000012781618 524095806 /nfs/dbraw/zinc/09/58/06/524095806.db2.gz PSVKQBNKSJAMTB-PKTZIBPZSA-N 1 0 441.547 3.542 50 0 IHAARO COc1ccc(C[C@@H](C)[NH2+]Cc2cc(NC(=O)c3ccccn3)cc(C(=O)N(C)C)c2)cc1 ZINC000020452540 524138742 /nfs/dbraw/zinc/13/87/42/524138742.db2.gz VKFBGTYCQFIXGW-GOSISDBHSA-N 1 0 446.551 3.765 50 0 IHAARO C[C@@H](CCNC(=O)c1nnc(C(=O)Nc2cccc(Cl)c2)s1)[NH+]1CCCCCC1 ZINC000033060380 524496682 /nfs/dbraw/zinc/49/66/82/524496682.db2.gz BBCBSGBURMEBLB-AWEZNQCLSA-N 1 0 435.981 3.828 50 0 IHAARO Cc1cc(C)n(CC(=O)N(C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)n1 ZINC000012836871 524502163 /nfs/dbraw/zinc/50/21/63/524502163.db2.gz VMABTBNMNUIBDV-HSZRJFAPSA-N 1 0 442.579 3.559 50 0 IHAARO C[C@@H](CNC(=O)c1cc(-c2ccccc2)n[nH]1)Oc1cccc(C[NH+]2CCSCC2)c1 ZINC000012099116 524711597 /nfs/dbraw/zinc/71/15/97/524711597.db2.gz VURLUPHQSVGIQR-SFHVURJKSA-N 1 0 436.581 3.823 50 0 IHAARO COc1ccccc1[C@@H](CNC(=O)[C@H](NC(=O)c1ccc(C)cc1)C(C)C)[NH+]1CCCC1 ZINC000012796117 524732424 /nfs/dbraw/zinc/73/24/24/524732424.db2.gz AUKKKEDYFKMIKM-ISKFKSNPSA-N 1 0 437.584 3.711 50 0 IHAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)CCc2cnn(C)c2)CC1 ZINC000012304641 525138287 /nfs/dbraw/zinc/13/82/87/525138287.db2.gz YVIPDEODYBCVHG-UHFFFAOYSA-N 1 0 445.611 3.997 50 0 IHAARO Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NC3CC[NH+](C(C)C)CC3)cc2)cc1C ZINC000012561180 525300269 /nfs/dbraw/zinc/30/02/69/525300269.db2.gz IWKYZHQIEVLNPA-UHFFFAOYSA-N 1 0 429.586 3.707 50 0 IHAARO COc1cccc(NC(=O)[C@H]([NH2+]CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c2ccccc2)c1 ZINC000022735043 526198431 /nfs/dbraw/zinc/19/84/31/526198431.db2.gz YKDJXAVLKTUHBD-SFYKDHMMSA-N 1 0 425.573 3.852 50 0 IHAARO O=C(NCC[N@@H+]1CC[C@H](c2ccccc2)C1)c1cc(COc2c(F)cccc2F)on1 ZINC000012372879 526323531 /nfs/dbraw/zinc/32/35/31/526323531.db2.gz JNPLFWUUTSBIMC-KRWDZBQOSA-N 1 0 427.451 3.751 50 0 IHAARO O=C(CCS(=O)(=O)c1ccc(Cl)cc1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000012909358 526536776 /nfs/dbraw/zinc/53/67/76/526536776.db2.gz RNFURGTVWHKHQS-UHFFFAOYSA-N 1 0 427.010 3.809 50 0 IHAARO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cn(Cc2ccccc2C(F)(F)F)nn1 ZINC000012593019 526538792 /nfs/dbraw/zinc/53/87/92/526538792.db2.gz OKKUHKXBJHYJAX-SFHVURJKSA-N 1 0 443.473 3.597 50 0 IHAARO Cc1nc(C(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)cs1 ZINC000012593906 526636423 /nfs/dbraw/zinc/63/64/23/526636423.db2.gz RLCXMBLCAJYKFP-QHCPKHFHSA-N 1 0 439.625 3.952 50 0 IHAARO NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@H+](CCc2ccc3c(c2)OCC3)C1 ZINC000035570126 526846875 /nfs/dbraw/zinc/84/68/75/526846875.db2.gz STVWFEWJRUQWRH-RUZDIDTESA-N 1 0 426.560 3.958 50 0 in-vitro IHAARO O=c1c2c(ncn1Cc1ccncc1)sc1c2CC[C@@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC000020993330 527457772 /nfs/dbraw/zinc/45/77/72/527457772.db2.gz OYCONBBVDUWTDO-MRXNPFEDSA-N 1 0 438.503 3.827 50 0 IHAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1nnc(Cc2ccc(F)cc2)o1 ZINC000020488605 527660177 /nfs/dbraw/zinc/66/01/77/527660177.db2.gz XOSNNNQWOJVZFD-UHFFFAOYSA-N 1 0 436.531 3.874 50 0 IHAARO COc1ccccc1N(C[C@@H](O)C[NH+](CC(C)C)CC(C)C)S(=O)(=O)c1ccccc1 ZINC000002202192 555757494 /nfs/dbraw/zinc/75/74/94/555757494.db2.gz KHJXYZPJFVWUAI-NRFANRHFSA-N 1 0 448.629 3.865 50 0 IHAARO Cc1cccc(N2CC[NH+](Cc3ccc(C(=O)NCCc4ccccn4)cc3)CC2)c1C ZINC000034684861 555820481 /nfs/dbraw/zinc/82/04/81/555820481.db2.gz VYGQNKCLHTWIEC-UHFFFAOYSA-N 1 0 428.580 3.993 50 0 IHAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000034830305 555911553 /nfs/dbraw/zinc/91/15/53/555911553.db2.gz QYKQPLCFEQLYNZ-CVDCTZTESA-N 1 0 439.625 3.719 50 0 IHAARO CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](C)CC1)C(=O)NC(C)(C)C ZINC000034831353 555912657 /nfs/dbraw/zinc/91/26/57/555912657.db2.gz RADNDASSXVABOG-UHFFFAOYSA-N 1 0 426.609 3.653 50 0 IHAARO CC(C)CCn1c2ccccc2nc1N1CCC(C(=O)NCC[NH+]2CCCCC2)CC1 ZINC000034906767 555920709 /nfs/dbraw/zinc/92/07/09/555920709.db2.gz RSKVQNONBXFYBE-UHFFFAOYSA-N 1 0 425.621 3.901 50 0 IHAARO C[NH+](C)CCNC(=O)c1cn2c(n1)CC[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000034899132 555928485 /nfs/dbraw/zinc/92/84/85/555928485.db2.gz ZECFVOOULZGYMM-GFCCVEGCSA-N 1 0 448.411 3.942 50 0 IHAARO C[NH+](C)CCCNC(=O)/C=C1/Sc2ccccc2N(Cc2ccccc2Cl)C1=O ZINC000022655818 556061679 /nfs/dbraw/zinc/06/16/79/556061679.db2.gz MOIHKKIMAPAJFI-XSFVSMFZSA-N 1 0 429.973 3.931 50 0 IHAARO COC(=O)c1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000002704372 556123599 /nfs/dbraw/zinc/12/35/99/556123599.db2.gz MZNYHTSKOFCZFU-JOCHJYFZSA-N 1 0 448.519 3.693 50 0 IHAARO C[NH+](CCCNC(=O)CSc1ccccc1)CCCNC(=O)CSc1ccccc1 ZINC000008417629 556167683 /nfs/dbraw/zinc/16/76/83/556167683.db2.gz XIYLEKVMDQALJW-UHFFFAOYSA-N 1 0 445.654 3.515 50 0 IHAARO CC1CC[NH+](Cc2ccc(CNS(=O)(=O)c3ccc4oc(=O)ccc4c3)cc2)CC1 ZINC000032771347 556335308 /nfs/dbraw/zinc/33/53/08/556335308.db2.gz GXBOOTXDLGXBIT-UHFFFAOYSA-N 1 0 426.538 3.503 50 0 IHAARO CC[NH+](CC)CCNC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c(C)[nH]c2ccccc21 ZINC000013945797 556343028 /nfs/dbraw/zinc/34/30/28/556343028.db2.gz CYOQDMYDKUUJCU-VWLOTQADSA-N 1 0 432.568 3.870 50 0 IHAARO CCn1cc(C[NH+]2CCC(Oc3cccc(C(=O)NCc4ccccn4)c3)CC2)c(C)n1 ZINC000011666355 556346089 /nfs/dbraw/zinc/34/60/89/556346089.db2.gz WZRTWQOFBFJOIS-UHFFFAOYSA-N 1 0 433.556 3.580 50 0 IHAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3cnn(C(C)C)c3)C2)c(OC)c1 ZINC000011764425 556349798 /nfs/dbraw/zinc/34/97/98/556349798.db2.gz JRPGMYWOUJBBCI-LJQANCHMSA-N 1 0 428.577 3.790 50 0 IHAARO O=C(NCCCn1cccn1)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000011771126 556350117 /nfs/dbraw/zinc/35/01/17/556350117.db2.gz WBEOQVBNUWRVHQ-UHFFFAOYSA-N 1 0 432.568 3.789 50 0 IHAARO Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000013986895 556352124 /nfs/dbraw/zinc/35/21/24/556352124.db2.gz CQTBBPUELAWYQY-UHFFFAOYSA-N 1 0 447.645 3.698 50 0 IHAARO CCN(Cc1cnc(N2CCOCC2)s1)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000011879265 556371787 /nfs/dbraw/zinc/37/17/87/556371787.db2.gz VXCBPMAKFILNEV-OAQYLSRUSA-N 1 0 446.636 3.895 50 0 IHAARO C/C(=C\c1ccccc1)C[N@H+]1CCc2nnc([C@H](NC(=O)c3ccccn3)C(C)C)n2CC1 ZINC000012055202 556393878 /nfs/dbraw/zinc/39/38/78/556393878.db2.gz QXAMPUZGJJTYOK-BKWQBPKISA-N 1 0 444.583 3.762 50 0 IHAARO O=C1N(Cc2ccccc2)C(=O)C2(CC[NH+](C3CCOCC3)CC2)N1CCc1ccccc1 ZINC000014534442 556422536 /nfs/dbraw/zinc/42/25/36/556422536.db2.gz ZHCSDKXPESYDMK-UHFFFAOYSA-N 1 0 447.579 3.707 50 0 IHAARO CC(C)CN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1cccc(O)c1)CC2 ZINC000014746816 556441487 /nfs/dbraw/zinc/44/14/87/556441487.db2.gz WYBDVTWNGQTLED-UHFFFAOYSA-N 1 0 447.579 3.814 50 0 IHAARO COc1ccc(CN2C(=O)N(CC(C)C)C3(CC[NH+](Cc4ccccn4)CC3)C2=O)cc1 ZINC000014755328 556444804 /nfs/dbraw/zinc/44/48/04/556444804.db2.gz KDTKBCOAUAHOAU-UHFFFAOYSA-N 1 0 436.556 3.545 50 0 IHAARO COc1ccccc1[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CCCCC1)[NH+]1CCCCC1 ZINC000072272710 556446954 /nfs/dbraw/zinc/44/69/54/556446954.db2.gz YWKJMAUFUWKFFU-XZOQPEGZSA-N 1 0 441.616 3.910 50 0 IHAARO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH2+][C@H](C)c1cccc(F)c1 ZINC000013075556 556455640 /nfs/dbraw/zinc/45/56/40/556455640.db2.gz XOQZNRAZYVSIBV-QGZVFWFLSA-N 1 0 433.549 3.598 50 0 IHAARO COC(C)(C)CNC(=O)COc1ccc(-c2nc3ccccc3s2)cc1C[NH+](C)C ZINC000014889386 556456275 /nfs/dbraw/zinc/45/62/75/556456275.db2.gz FWCMNFKUJNFFQS-UHFFFAOYSA-N 1 0 427.570 3.945 50 0 IHAARO Cc1ncsc1CCNC(=O)C1CC[NH+](C2CCN(Cc3ccccc3C)CC2)CC1 ZINC000014961413 556464346 /nfs/dbraw/zinc/46/43/46/556464346.db2.gz GCEYQELTIJVLMH-UHFFFAOYSA-N 1 0 440.657 3.795 50 0 IHAARO CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)c1cnc(CN2CCCC2)s1 ZINC000014971451 556467077 /nfs/dbraw/zinc/46/70/77/556467077.db2.gz CMFAQDRQASBKPG-UHFFFAOYSA-N 1 0 444.620 3.905 50 0 IHAARO CCc1ccc(C[N@@H+]2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)N2CCOCC2)cc1 ZINC000014976855 556469284 /nfs/dbraw/zinc/46/92/84/556469284.db2.gz XTGWNKDWZJHWAZ-PKTZIBPZSA-N 1 0 428.573 3.982 50 0 IHAARO CCCC[N@H+](C)Cc1ccc2c(n1)sc(C(=O)OC)c2NC(=O)c1cc(C)nn1C ZINC000014985800 556472727 /nfs/dbraw/zinc/47/27/27/556472727.db2.gz CYKSVCJIUGNGFN-UHFFFAOYSA-N 1 0 429.546 3.609 50 0 IHAARO C[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(=O)[nH]1 ZINC000014989170 556474062 /nfs/dbraw/zinc/47/40/62/556474062.db2.gz GJWXKUSCQCRGGO-UHFFFAOYSA-N 1 0 429.442 3.956 50 0 IHAARO CC(=O)N1CCC[C@H]1C(=O)N(Cc1ccc(OCCC(C)C)cc1)CC(C)(C)[NH+](C)C ZINC000072285175 556475799 /nfs/dbraw/zinc/47/57/99/556475799.db2.gz ZIWFJKUDCMEMIC-QHCPKHFHSA-N 1 0 431.621 3.791 50 0 IHAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CCn3c(CO)nc4ccccc43)C2)cc1 ZINC000015062916 556491083 /nfs/dbraw/zinc/49/10/83/556491083.db2.gz CRMDLQOFKYQQSF-HSZRJFAPSA-N 1 0 448.611 3.898 50 0 IHAARO O=c1c2c3c(sc2ncn1Cc1ccccc1Cl)C[C@H]([NH2+]Cc1ccon1)CC3 ZINC000015070424 556495479 /nfs/dbraw/zinc/49/54/79/556495479.db2.gz OXWCWFOOQKQDIL-CQSZACIVSA-N 1 0 426.929 3.795 50 0 IHAARO O=C(NC[C@@H]1CCC[N@H+](Cc2cccn2-c2ncccn2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000015071106 556495924 /nfs/dbraw/zinc/49/59/24/556495924.db2.gz FMRUIZSOATWURJ-IBGZPJMESA-N 1 0 449.986 3.981 50 0 IHAARO C[NH+](C)[C@@H]1CCN(C(=O)c2cnn(-c3nccc(-c4cc5ccccc5o4)n3)c2C2CC2)C1 ZINC000015070871 556495930 /nfs/dbraw/zinc/49/59/30/556495930.db2.gz KSJCFOYAENKKRL-GOSISDBHSA-N 1 0 442.523 3.729 50 0 IHAARO Cc1nn(C)cc1C[NH2+][C@H]1CCc2c(sc3ncn(Cc4ccc(C)cc4)c(=O)c23)C1 ZINC000015071866 556496778 /nfs/dbraw/zinc/49/67/78/556496778.db2.gz HCMHGQPOKYYICT-IBGZPJMESA-N 1 0 433.581 3.504 50 0 IHAARO Cc1cccn2c(C[NH2+][C@H](C)CCn3cccn3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000015075690 556499239 /nfs/dbraw/zinc/49/92/39/556499239.db2.gz YTYSTXXHJUMOIA-OAQYLSRUSA-N 1 0 444.583 3.722 50 0 IHAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)CSc1ncc(-c2ccccc2)nn1 ZINC000015080178 556500800 /nfs/dbraw/zinc/50/08/00/556500800.db2.gz SVHHEBYMWQCPJF-SIKLNZKXSA-N 1 0 431.565 3.774 50 0 IHAARO CCOC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000015346788 556522557 /nfs/dbraw/zinc/52/25/57/556522557.db2.gz ZVKLRSXGRVQHCN-SIKLNZKXSA-N 1 0 433.495 3.707 50 0 IHAARO O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000032903053 556541981 /nfs/dbraw/zinc/54/19/81/556541981.db2.gz OVGXDICKOMWASK-QFBILLFUSA-N 1 0 449.498 3.899 50 0 IHAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)Cn1nc(C(F)F)c2c1CCC2 ZINC000013640684 556542215 /nfs/dbraw/zinc/54/22/15/556542215.db2.gz IFIQOQGPJTWLPD-UHFFFAOYSA-N 1 0 430.503 3.640 50 0 IHAARO CC[NH+](CC)CCOC1CCN(CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000072305616 556554049 /nfs/dbraw/zinc/55/40/49/556554049.db2.gz NEEVLHXGCPMHNJ-XMMPIXPASA-N 1 0 447.620 3.916 50 0 IHAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000015859659 556558266 /nfs/dbraw/zinc/55/82/66/556558266.db2.gz MUCOJFNPVCKEBZ-QGZVFWFLSA-N 1 0 425.510 3.741 50 0 IHAARO CCc1nnc2c(NCCC[NH+]3CCN(c4ccccc4F)CC3)nc3ccccc3n12 ZINC000016162632 556586746 /nfs/dbraw/zinc/58/67/46/556586746.db2.gz BBSWRBRHPRNPNV-UHFFFAOYSA-N 1 0 433.535 3.603 50 0 IHAARO CCOC(CNC(=O)C1CC[NH+](Cc2nc(-c3ccccc3C)oc2C)CC1)OCC ZINC000005043312 556626769 /nfs/dbraw/zinc/62/67/69/556626769.db2.gz SJLWBQHUPVSFPR-UHFFFAOYSA-N 1 0 429.561 3.686 50 0 IHAARO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@H](C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000005067085 556629764 /nfs/dbraw/zinc/62/97/64/556629764.db2.gz ZEXLUBLZRNFVBG-KKUMJFAQSA-N 1 0 431.533 3.667 50 0 IHAARO CC(C)Cc1nnc(C(=O)Nc2ccc(C(=O)NCC[C@@H](C)[NH+]3CCCC3)cc2)s1 ZINC000033011351 556659303 /nfs/dbraw/zinc/65/93/03/556659303.db2.gz KQCZGOBVFAAGQF-MRXNPFEDSA-N 1 0 429.590 3.593 50 0 IHAARO COc1cccc(COc2coc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2=O)c1 ZINC000011963391 556677435 /nfs/dbraw/zinc/67/74/35/556677435.db2.gz SZMVCDQODCOTMB-UHFFFAOYSA-N 1 0 448.519 3.622 50 0 IHAARO CC(C)Cc1nnc(C(=O)Nc2cccc(C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)c2)s1 ZINC000033022926 556688432 /nfs/dbraw/zinc/68/84/32/556688432.db2.gz QQUVLLDUOFWHKX-QGZVFWFLSA-N 1 0 443.617 3.841 50 0 IHAARO O=c1c(C[NH2+]CCc2nc3ccccc3[nH]2)cc2ccc(F)cc2n1Cc1ccccn1 ZINC000019218811 556713432 /nfs/dbraw/zinc/71/34/32/556713432.db2.gz XQQVWRCRJGAINY-UHFFFAOYSA-N 1 0 427.483 3.793 50 0 IHAARO Cc1ccc(Cn2ncc3c2ncnc3N2CC[NH+](CCOc3ccc(C)cc3)CC2)cc1 ZINC000054360508 556730463 /nfs/dbraw/zinc/73/04/63/556730463.db2.gz ASTITLUTOGSPLN-UHFFFAOYSA-N 1 0 442.567 3.692 50 0 IHAARO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)CCCc3ccc(F)cc3)C2)CC1 ZINC000055384178 556740880 /nfs/dbraw/zinc/74/08/80/556740880.db2.gz KMRPCXWRPVVPOU-QHCPKHFHSA-N 1 0 439.575 3.970 50 0 IHAARO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H](C)N1CC[NH+](C2CCCCC2)CC1 ZINC000019371817 556748720 /nfs/dbraw/zinc/74/87/20/556748720.db2.gz PUEALRCJWWDPME-INIZCTEOSA-N 1 0 444.551 3.761 50 0 IHAARO CN(C[C@@H]1CCCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC000058080047 556756768 /nfs/dbraw/zinc/75/67/68/556756768.db2.gz PFLAUIRUKZRSSJ-RBUKOAKNSA-N 1 0 434.581 3.705 50 0 IHAARO CC[N@@H+]1CCc2nc(-c3ccccc3)n(CC(=O)Nc3ccc(F)c(Cl)c3)c(=O)c2C1 ZINC000062007140 556765302 /nfs/dbraw/zinc/76/53/02/556765302.db2.gz GTCOMEFPMGXLSP-UHFFFAOYSA-N 1 0 440.906 3.720 50 0 IHAARO CC[N@@H+]1CCc2nc(-c3ccccc3)n(CC(=O)Nc3ccc(C)cc3Cl)c(=O)c2C1 ZINC000062007135 556765402 /nfs/dbraw/zinc/76/54/02/556765402.db2.gz KCPBULAVPXFOAM-UHFFFAOYSA-N 1 0 436.943 3.889 50 0 IHAARO CNS(=O)(=O)Cc1ccccc1C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000062580259 556835835 /nfs/dbraw/zinc/83/58/35/556835835.db2.gz MDBIPONIFWCJEZ-UHFFFAOYSA-N 1 0 438.597 3.564 50 0 IHAARO CCC(=O)OC1(c2cccc(C(F)(F)F)c2)CC[NH+](CC[C@H]2CN(C)C(=O)O2)CC1 ZINC000071769289 556887771 /nfs/dbraw/zinc/88/77/71/556887771.db2.gz UPJBLEYLFQEEMD-KRWDZBQOSA-N 1 0 428.451 3.790 50 0 IHAARO Cc1ncc(C[NH+]2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)s1 ZINC000019743439 556887923 /nfs/dbraw/zinc/88/79/23/556887923.db2.gz WCJOOHYFODBGKB-UHFFFAOYSA-N 1 0 425.558 3.893 50 0 IHAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1ccc(-c3ccccc3)cc1)CC2)c1ccco1 ZINC000019813099 556919390 /nfs/dbraw/zinc/91/93/90/556919390.db2.gz TZKZUMPDAOJXME-UHFFFAOYSA-N 1 0 441.535 3.569 50 0 IHAARO C[N@H+](CCc1ccccc1)Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 ZINC000019955840 556954415 /nfs/dbraw/zinc/95/44/15/556954415.db2.gz XCERNJCKTMMBHT-UHFFFAOYSA-N 1 0 433.596 3.852 50 0 IHAARO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1CC ZINC000022919269 557046173 /nfs/dbraw/zinc/04/61/73/557046173.db2.gz RELJNUHHANEZHV-SJLPKXTDSA-N 1 0 429.586 3.993 50 0 IHAARO C[NH+](C)CCN(Cc1cccnc1)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000048260885 557049274 /nfs/dbraw/zinc/04/92/74/557049274.db2.gz UZEPHECXVUMPOF-UHFFFAOYSA-N 1 0 432.450 3.882 50 0 IHAARO Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCC[N@H+]4CCCC[C@@H]4C)nc3n2)cc1 ZINC000033271838 557050011 /nfs/dbraw/zinc/05/00/11/557050011.db2.gz XIIUMANUJQOQHG-HNNXBMFYSA-N 1 0 446.477 3.723 50 0 IHAARO O=c1c(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc2ccc(F)cc2n1C[C@@H]1CCCO1 ZINC000023145575 557068239 /nfs/dbraw/zinc/06/82/39/557068239.db2.gz XKGJAZALLBQSRA-QHCPKHFHSA-N 1 0 439.506 3.781 50 0 IHAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2cccc(CS(C)(=O)=O)c2)C1 ZINC000048340004 557070080 /nfs/dbraw/zinc/07/00/80/557070080.db2.gz OLARBZWORBYQPL-OALUTQOASA-N 1 0 428.598 3.639 50 0 IHAARO CN(C)S(=O)(=O)c1cccc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000023249111 557078373 /nfs/dbraw/zinc/07/83/73/557078373.db2.gz WHVFXSUESXCATO-UHFFFAOYSA-N 1 0 449.620 3.844 50 0 IHAARO C[NH+]1CCN(c2ccc(CNC(=O)Cn3c(-c4ccccc4)cc4ccccc43)cn2)CC1 ZINC000023318345 557083765 /nfs/dbraw/zinc/08/37/65/557083765.db2.gz BPFCXPMLIXFLBR-UHFFFAOYSA-N 1 0 439.563 3.772 50 0 IHAARO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000033307151 557086401 /nfs/dbraw/zinc/08/64/01/557086401.db2.gz NMSPXCZTDNVHOJ-MRXNPFEDSA-N 1 0 444.532 3.695 50 0 IHAARO COc1ccccc1-n1cc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4)CC3)C2)cn1 ZINC000023375393 557088879 /nfs/dbraw/zinc/08/88/79/557088879.db2.gz HJWNOPFCNPOCJM-DEOSSOPVSA-N 1 0 431.584 3.668 50 0 IHAARO COc1ccc([C@H](CNC(=O)CCc2nc(-c3ccc(C)cc3)no2)[NH+]2CCCC2)cc1 ZINC000017911895 557128228 /nfs/dbraw/zinc/12/82/28/557128228.db2.gz AUMVAORDQWBZJW-QFIPXVFZSA-N 1 0 434.540 3.940 50 0 IHAARO COc1ccc(OC[C@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000095863084 557160947 /nfs/dbraw/zinc/16/09/47/557160947.db2.gz HWOZPWSVHRWXJU-XMMPIXPASA-N 1 0 432.564 3.842 50 0 IHAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1nc(C)n(-c2ccc(F)cc2)n1 ZINC000011558867 557184199 /nfs/dbraw/zinc/18/41/99/557184199.db2.gz LQLOCEWRPMJZTM-UHFFFAOYSA-N 1 0 435.507 3.659 50 0 IHAARO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(C)cc1 ZINC000008128377 557241407 /nfs/dbraw/zinc/24/14/07/557241407.db2.gz SUCWGUJNNSZYQC-PGRDOPGGSA-N 1 0 429.586 3.847 50 0 IHAARO CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000101409649 557283947 /nfs/dbraw/zinc/28/39/47/557283947.db2.gz FPNPKKNUBZDJTB-WKVINZIJSA-N 1 0 449.938 3.642 50 0 IHAARO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](Cc3csc4ccccc34)CC2)nc1 ZINC000024527809 557327103 /nfs/dbraw/zinc/32/71/03/557327103.db2.gz BHDCIYVLKYTRMO-UHFFFAOYSA-N 1 0 444.626 3.649 50 0 IHAARO COCc1nc(=O)c2c(C)c(C(=O)OC[C@@]3(C)CCCN3Cc3ccccc3)sc2[nH]1 ZINC000072310754 557332997 /nfs/dbraw/zinc/33/29/97/557332997.db2.gz SWTNEWBAQIDQBE-HSZRJFAPSA-N 1 0 441.553 3.651 50 0 IHAARO CCn1c(C)cc(O)c([C@@H](c2cccc(OC)c2)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000024022800 557391216 /nfs/dbraw/zinc/39/12/16/557391216.db2.gz IXOZAULWMLRURP-RUZDIDTESA-N 1 0 433.552 3.802 50 0 IHAARO COc1ccc(CN2CCN(Cc3ccc(C[NH+]4CCCC4)s3)C[C@H]2CCO)cc1C ZINC000104438066 557455290 /nfs/dbraw/zinc/45/52/90/557455290.db2.gz IJNMQTVMEAXFOU-JOCHJYFZSA-N 1 0 443.657 3.730 50 0 IHAARO COC(=O)C1C(C[NH+]2CCC(Cc3ccccc3)CC2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318308 557469865 /nfs/dbraw/zinc/46/98/65/557469865.db2.gz PAIWEEIITWUZLE-XMMPIXPASA-N 1 0 433.552 3.731 50 0 IHAARO Cc1c(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(=O)n(-c2ccccc2)n1C ZINC000107364961 557535691 /nfs/dbraw/zinc/53/56/91/557535691.db2.gz BFPXGAFMOWOYNV-XXBNENTESA-N 1 0 447.583 3.859 50 0 IHAARO COc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000225467201 557726075 /nfs/dbraw/zinc/72/60/75/557726075.db2.gz HKEUMLVRKAYWLK-MSOLQXFVSA-N 1 0 431.577 3.808 50 0 IHAARO O=c1c2c3c(sc2n(CC[NH+]2CCCCC2)c(=O)n1Cc1ccco1)CCCCC3 ZINC000002198209 562926252 /nfs/dbraw/zinc/92/62/52/562926252.db2.gz HQFMIOZYIHXOAI-UHFFFAOYSA-N 1 0 427.570 3.621 50 0 IHAARO CCC[NH+](CCC)CCCNC(=O)c1nn(-c2cccc(OC)c2)c(=O)c2ccccc21 ZINC000002943879 562930948 /nfs/dbraw/zinc/93/09/48/562930948.db2.gz JENZXBHXHUFLAW-UHFFFAOYSA-N 1 0 436.556 3.636 50 0 IHAARO CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000003211578 562932842 /nfs/dbraw/zinc/93/28/42/562932842.db2.gz WXCOWWSQUYQFTG-UTKZUKDTSA-N 1 0 449.642 3.734 50 0 IHAARO CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cc1 ZINC000003384145 562935110 /nfs/dbraw/zinc/93/51/10/562935110.db2.gz WQKQSZRZEFKVEP-UHFFFAOYSA-N 1 0 429.586 3.954 50 0 IHAARO Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000009671624 562975212 /nfs/dbraw/zinc/97/52/12/562975212.db2.gz PWLSSSMPMVFUFZ-QHCPKHFHSA-N 1 0 437.565 3.829 50 0 IHAARO Cc1nn([C@H](C)C(=O)NCCC[N@@H+]2CCCC[C@H]2C)c(=O)c2c3ccccc3sc21 ZINC000015942032 563019599 /nfs/dbraw/zinc/01/95/99/563019599.db2.gz RIQISVHBIQROHC-NVXWUHKLSA-N 1 0 426.586 3.861 50 0 IHAARO Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](C[NH3+])Cc2ccc(F)c(F)c2)oc1Cl ZINC000043197676 563119329 /nfs/dbraw/zinc/11/93/29/563119329.db2.gz AXTAPYRUEKNRBA-JTQLQIEISA-N 1 0 429.254 3.565 50 0 investigational IHAARO CC[C@](C)(COc1ncccc1Cl)[NH2+]CC(=O)Nc1ccc(Br)cn1 ZINC000089942113 563180521 /nfs/dbraw/zinc/18/05/21/563180521.db2.gz PZFWQPDLBFVBNM-QGZVFWFLSA-N 1 0 427.730 3.668 50 0 IHAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000043942545 568743631 /nfs/dbraw/zinc/74/36/31/568743631.db2.gz OGASIBLGMVZFPQ-UHFFFAOYSA-N 1 0 425.598 3.992 50 0 IHAARO C[NH+](C)[C@H]1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3SC4)c2C2CC2)C1 ZINC000299758552 568755562 /nfs/dbraw/zinc/75/55/62/568755562.db2.gz MTNZWQJYYRWGII-KRWDZBQOSA-N 1 0 446.580 3.589 50 0 IHAARO O=C(C[NH2+]C1(c2cccc(Br)c2)CCOCC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000084363485 568797446 /nfs/dbraw/zinc/79/74/46/568797446.db2.gz ZNMOMVACSLELCQ-HNNXBMFYSA-N 1 0 449.311 3.845 50 0 IHAARO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000084687076 568799958 /nfs/dbraw/zinc/79/99/58/568799958.db2.gz BBCHSWCDTLTDGD-HYBUGGRVSA-N 1 0 434.584 3.613 50 0 IHAARO CC[NH+]1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000015679734 568805570 /nfs/dbraw/zinc/80/55/70/568805570.db2.gz WZCLPVOLMMMUIT-UHFFFAOYSA-N 1 0 441.528 3.951 50 0 IHAARO C[C@H]1CSc2ccc(S(=O)(=O)Nc3cccc(C[NH+]4CCCC4)c3)cc2NC1=O ZINC000015731213 568814581 /nfs/dbraw/zinc/81/45/81/568814581.db2.gz LMSCSULAGPYULT-HNNXBMFYSA-N 1 0 431.583 3.764 50 0 IHAARO CCC[C@@H](C)[NH+]1CCN(C(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)CC1 ZINC000015734844 568816400 /nfs/dbraw/zinc/81/64/00/568816400.db2.gz QDXSDAYPYGBRJB-GOSISDBHSA-N 1 0 427.618 3.754 50 0 IHAARO Cc1cc(-c2ccc(S(=O)(=O)NCC3CC[NH+](Cc4cccc(F)c4)CC3)s2)n[nH]1 ZINC000015734989 568816531 /nfs/dbraw/zinc/81/65/31/568816531.db2.gz HOWWWRXIGGJFJN-UHFFFAOYSA-N 1 0 448.589 3.776 50 0 IHAARO Cc1ccc2ccc3cc(C(=O)NCCC[NH+]4CCN(c5ccccc5)CC4)[nH]c3c2n1 ZINC000085577777 568825320 /nfs/dbraw/zinc/82/53/20/568825320.db2.gz BENZHMRNQCFZPG-UHFFFAOYSA-N 1 0 427.552 3.967 50 0 IHAARO CC[NH+]1CCN(Cc2cnc(C)c3oc(-c4cc(=O)oc5cc6c(cc54)OCO6)cc32)CC1 ZINC000085876680 568838598 /nfs/dbraw/zinc/83/85/98/568838598.db2.gz BYAZALNMEQVZPE-UHFFFAOYSA-N 1 0 447.491 3.776 50 0 biogenic IHAARO CN(C)CC[NH2+]C[C@H](O)CN1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@H]1CCC3 ZINC000239309330 568911103 /nfs/dbraw/zinc/91/11/03/568911103.db2.gz HJMXAOVPXYXKMS-BKMJKUGQSA-N 1 0 438.660 3.894 50 0 IHAARO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 ZINC000248378084 568919223 /nfs/dbraw/zinc/91/92/23/568919223.db2.gz IOPQGWWDHDCOJZ-UAFMIMERSA-N 1 0 426.394 3.810 50 0 IHAARO CCOC(=O)C1C(C[N@H+]2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000036080274 568946473 /nfs/dbraw/zinc/94/64/73/568946473.db2.gz SRTWTMFXDMCYKT-JKSBSHDWSA-N 1 0 429.561 3.623 50 0 IHAARO COc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COCc2ccco2)cc1 ZINC000036102314 568952747 /nfs/dbraw/zinc/95/27/47/568952747.db2.gz HYORCFXROVBZTJ-FQEVSTJZSA-N 1 0 425.481 3.597 50 0 IHAARO CC(C)C[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C[C@@H](O)Cc1ccccc1 ZINC000036156542 568965453 /nfs/dbraw/zinc/96/54/53/568965453.db2.gz VKIHUHIZZGHJTG-SFHVURJKSA-N 1 0 425.598 3.925 50 0 IHAARO CCC(=O)N1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@@H]1C ZINC000169680295 568990826 /nfs/dbraw/zinc/99/08/26/568990826.db2.gz WSCHBVZXJZMYCN-BXKMTCNYSA-N 1 0 443.588 3.694 50 0 IHAARO Cc1nc(C)c(Cc2ccc(F)cc2)c(N2CC[NH+](C[C@@H](O)Cc3ccccc3)CC2)n1 ZINC000036340331 569078630 /nfs/dbraw/zinc/07/86/30/569078630.db2.gz RKMGWLGEJCHGGF-DEOSSOPVSA-N 1 0 434.559 3.549 50 0 IHAARO Cc1cccc(Cc2c(C)nc(C)nc2N2CC[NH+](C[C@@H](O)Cc3ccccc3)CC2)c1 ZINC000036340545 569079015 /nfs/dbraw/zinc/07/90/15/569079015.db2.gz JXWDHCVGARXRHH-VWLOTQADSA-N 1 0 430.596 3.718 50 0 IHAARO CCOc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CC[NH+](CC)CC2)cc1 ZINC000036343949 569079814 /nfs/dbraw/zinc/07/98/14/569079814.db2.gz BEDACNHHXMJMRN-XMMPIXPASA-N 1 0 438.547 3.540 50 0 IHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2ccccc2OC)CC1 ZINC000036345351 569080668 /nfs/dbraw/zinc/08/06/68/569080668.db2.gz JQOARBIGBVVXDR-DEOSSOPVSA-N 1 0 434.584 3.627 50 0 IHAARO CC[NH+](CC)CCNC(=O)CC1CCN(C(=O)c2sc(-c3ccccc3)nc2C)CC1 ZINC000065006671 569087528 /nfs/dbraw/zinc/08/75/28/569087528.db2.gz LMXCSAQVEKXVCX-UHFFFAOYSA-N 1 0 442.629 3.819 50 0 IHAARO CCc1ccc(-n2nnc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c2-c2ccncc2)cc1 ZINC000065083227 569102167 /nfs/dbraw/zinc/10/21/67/569102167.db2.gz FPBCRLXBNYJAFX-UHFFFAOYSA-N 1 0 444.583 3.982 50 0 IHAARO CCc1ccccc1NC(=O)Cn1c(CC)nc2c(c1=O)C[N@H+](Cc1ccccc1)CC2 ZINC000065153519 569111893 /nfs/dbraw/zinc/11/18/93/569111893.db2.gz NGNQSFKHVPGQKR-UHFFFAOYSA-N 1 0 430.552 3.565 50 0 IHAARO CCc1cccc(NC(=O)Cn2c(CC)nc3c(c2=O)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000065153545 569112093 /nfs/dbraw/zinc/11/20/93/569112093.db2.gz SXXDBGOJPJXPIS-UHFFFAOYSA-N 1 0 430.552 3.565 50 0 IHAARO CCCNc1cc(N2CCC(CCC(=O)N3CC[NH+](C4CCCCC4)CC3)CC2)ncn1 ZINC000065274094 569128420 /nfs/dbraw/zinc/12/84/20/569128420.db2.gz QBFRJEZZYHICSX-UHFFFAOYSA-N 1 0 442.652 3.772 50 0 IHAARO C[NH+]1CCC(NC(=O)C2CCN(c3nc4ccc(-c5ccccc5)nc4s3)CC2)CC1 ZINC000065272088 569128968 /nfs/dbraw/zinc/12/89/68/569128968.db2.gz QDHDHILWLITPCN-UHFFFAOYSA-N 1 0 435.597 3.785 50 0 IHAARO Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)NC[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000065329747 569136877 /nfs/dbraw/zinc/13/68/77/569136877.db2.gz KPXWNYCUEJTOCU-HXUWFJFHSA-N 1 0 436.556 3.514 50 0 IHAARO Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)NCc1ccc(C[NH+]2CCCCCC2)o1 ZINC000065329754 569136987 /nfs/dbraw/zinc/13/69/87/569136987.db2.gz OYRLFZCKMUKHQV-UHFFFAOYSA-N 1 0 440.544 3.853 50 0 IHAARO FC(F)(F)c1cccnc1N1CCN(C2CC[NH+](CCOc3ccccc3)CC2)CC1 ZINC000240104283 569140649 /nfs/dbraw/zinc/14/06/49/569140649.db2.gz UOLZHKIQLXTAIJ-UHFFFAOYSA-N 1 0 434.506 3.766 50 0 IHAARO [NH2+]=C1NC(SCC(=O)Nc2ccc3ccccc3c2)=N[C@@H](c2c[nH]c3ccccc32)N1 ZINC000013579221 569156138 /nfs/dbraw/zinc/15/61/38/569156138.db2.gz LJSAENCNJDTWOT-NRFANRHFSA-N 1 0 428.521 3.966 50 0 IHAARO COc1cn(CC(=O)Nc2ccc(Br)cc2)c(C[NH+]2CCCCCC2)cc1=O ZINC000016974461 569168575 /nfs/dbraw/zinc/16/85/75/569168575.db2.gz YWDOPPLSLYFIQK-UHFFFAOYSA-N 1 0 448.361 3.634 50 0 IHAARO C[C@H]1CC[C@@H]2[N@@H+](C[C@@H]3[C@@H]4C[C@@H]5[C@H](CC(=O)[C@@H]6C[C@@H](O)CC[C@]56C)[C@H]4CC[C@H]3[C@@]2(C)O)C1 ZINC000252441163 569183646 /nfs/dbraw/zinc/18/36/46/569183646.db2.gz IQDIERHFZVCNRZ-WMAGUMRNSA-N 1 0 429.645 3.886 50 0 IHAARO COc1cccc([C@H](CNC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)[NH+]2CCCC2)c1 ZINC000027340457 569190784 /nfs/dbraw/zinc/19/07/84/569190784.db2.gz JMOAXVCMFYAHIU-QPPBQGQZSA-N 1 0 435.568 3.618 50 0 IHAARO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000002256271 569216865 /nfs/dbraw/zinc/21/68/65/569216865.db2.gz PRFPPIFJFDAJKJ-GJZGRUSLSA-N 1 0 431.533 3.668 50 0 IHAARO CC(C)C[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H](CCC(=O)NCc2cccc3ccccc32)C1 ZINC000014879261 569256793 /nfs/dbraw/zinc/25/67/93/569256793.db2.gz UXOZCHATCPFGBG-AZGAKELHSA-N 1 0 437.628 3.915 50 0 IHAARO CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000002407951 569300329 /nfs/dbraw/zinc/30/03/29/569300329.db2.gz VDCOLNYJQPPPGN-JOCHJYFZSA-N 1 0 436.508 3.697 50 0 IHAARO CC(=O)Nc1cccc(CN2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)c1 ZINC000078726159 569318707 /nfs/dbraw/zinc/31/87/07/569318707.db2.gz ZELMULLJZXEPIO-UHFFFAOYSA-N 1 0 425.558 3.507 50 0 IHAARO Fc1cc2ncc(N3CC[NH+](CCCc4nc(-c5cccs5)no4)CC3)nc2cc1F ZINC000078823859 569319444 /nfs/dbraw/zinc/31/94/44/569319444.db2.gz SPEUEQBGGLOZIK-UHFFFAOYSA-N 1 0 442.495 3.774 50 0 IHAARO O=C(Nc1cccc(-c2nnco2)c1)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000079064551 569324253 /nfs/dbraw/zinc/32/42/53/569324253.db2.gz SQNILFROUGENMA-UHFFFAOYSA-N 1 0 425.464 3.541 50 0 IHAARO CCOC(=O)C1C(C[NH+]2C[C@H](C)C[C@@H](C)C2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214481 569356515 /nfs/dbraw/zinc/35/65/15/569356515.db2.gz SRTWTMFXDMCYKT-DRSNIGMVSA-N 1 0 429.561 3.623 50 0 IHAARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000095346151 569361459 /nfs/dbraw/zinc/36/14/59/569361459.db2.gz LKCKDRMAWUHSIF-NBCVKUGOSA-N 1 0 437.499 3.579 50 0 IHAARO Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000020417043 569364820 /nfs/dbraw/zinc/36/48/20/569364820.db2.gz HKOHMKCHCZFNJU-IBGZPJMESA-N 1 0 449.599 3.575 50 0 IHAARO Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000095427336 569366000 /nfs/dbraw/zinc/36/60/00/569366000.db2.gz BAAGPUPMJNWUNK-JWQCQUIFSA-N 1 0 444.579 3.955 50 0 IHAARO COC(=O)CCC1CC[NH+](C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)CC1 ZINC000095452719 569368090 /nfs/dbraw/zinc/36/80/90/569368090.db2.gz SGFRUBZKKJVNNB-QHCPKHFHSA-N 1 0 444.597 3.680 50 0 IHAARO Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N4CC[C@@H]5CC[N@@H+](C)C[C@H]54)cc3)ccc12 ZINC000095995833 569378780 /nfs/dbraw/zinc/37/87/80/569378780.db2.gz PHHBXESXRAPPAS-WMZHIEFXSA-N 1 0 432.520 3.847 50 0 IHAARO C[C@H]([NH2+][C@@H](C)c1cc2ccccc2o1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008734776 569472620 /nfs/dbraw/zinc/47/26/20/569472620.db2.gz HRTKOYMCWMHMPW-IRXDYDNUSA-N 1 0 441.553 3.895 50 0 IHAARO CC(C)[NH+]1CCN(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)c(Cl)c2)CC1 ZINC000040121226 569489511 /nfs/dbraw/zinc/48/95/11/569489511.db2.gz YXXWSENNNLKXQT-UHFFFAOYSA-N 1 0 426.904 3.699 50 0 IHAARO C[C@H]1CCc2c(sc3ncnc(N4CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC4)c32)C1 ZINC000040158226 569494515 /nfs/dbraw/zinc/49/45/15/569494515.db2.gz BUYPOSUOZJJGQL-INIZCTEOSA-N 1 0 443.661 3.737 50 0 IHAARO C[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)C1 ZINC000245228491 569499836 /nfs/dbraw/zinc/49/98/36/569499836.db2.gz ARPVPDNHDJLZID-YHYVQYDKSA-N 1 0 425.598 3.897 50 0 IHAARO CC[NH+](CC)CCCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(C)n(C)c2ccccc21 ZINC000009095119 569501274 /nfs/dbraw/zinc/50/12/74/569501274.db2.gz JXUXWNFJMAJENL-AREMUKBSSA-N 1 0 446.595 3.880 50 0 IHAARO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cccc(F)c1 ZINC000069366564 569502487 /nfs/dbraw/zinc/50/24/87/569502487.db2.gz DJSOGJVFSWXGMX-BEFAXECRSA-N 1 0 437.437 3.617 50 0 IHAARO C[C@H]1CCCC[N@@H+]1CCCNc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl ZINC000009114404 569502550 /nfs/dbraw/zinc/50/25/50/569502550.db2.gz PNUDUSYOEXAYLM-ZDUSSCGKSA-N 1 0 429.874 3.976 50 0 IHAARO CCCCc1ccc(NC(=O)CSc2nc(=O)n(CC[NH+](C)C)c3c2CCCC3)cc1 ZINC000009747417 569565836 /nfs/dbraw/zinc/56/58/36/569565836.db2.gz ARIDRLIOCCLEJA-UHFFFAOYSA-N 1 0 442.629 3.757 50 0 IHAARO Cc1cc(=O)c(C(=O)NCc2ccccc2C[NH+]2CCCC2)nn1-c1ccccc1Cl ZINC000009765163 569566756 /nfs/dbraw/zinc/56/67/56/569566756.db2.gz PIQFJISGLIWNPH-UHFFFAOYSA-N 1 0 436.943 3.720 50 0 IHAARO CC[NH+](CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@H]1c1cccc(OC)c1 ZINC000010233210 569579500 /nfs/dbraw/zinc/57/95/00/569579500.db2.gz OOKXDWHYROBBFG-JOCHJYFZSA-N 1 0 436.508 3.697 50 0 IHAARO O=C(Cc1c(F)cccc1Cl)N1CCC(O)([C@H]2CCN3Cc4ccccc4[NH+]=C23)CC1 ZINC000102672548 569588232 /nfs/dbraw/zinc/58/82/32/569588232.db2.gz HDUWPYLRTJOIIC-SFHVURJKSA-N 1 0 441.934 3.941 50 0 IHAARO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2ccc(N3CC[NH+](CC)CC3)cc2)c1C ZINC000007328449 132280544 /nfs/dbraw/zinc/28/05/44/132280544.db2.gz LVRQEGWGZIUJAG-SFHVURJKSA-N 1 0 426.561 3.633 50 0 IHAARO CCOC(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)COc2ccccc2Cl)c1 ZINC000009908033 132331630 /nfs/dbraw/zinc/33/16/30/132331630.db2.gz TTZSQOKTYRDPKP-UHFFFAOYSA-N 1 0 445.947 3.676 50 0 IHAARO O=C(c1ccc(N2CCC([NH2+]Cc3cc(-c4ccccc4)on3)CC2)cc1)N1CCOCC1 ZINC000011790265 132339862 /nfs/dbraw/zinc/33/98/62/132339862.db2.gz RPEHHUQWFIVVBO-UHFFFAOYSA-N 1 0 446.551 3.573 50 0 IHAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)Nc4ccccc4OC)c(C)c32)CC1 ZINC000020603581 519860940 /nfs/dbraw/zinc/86/09/40/519860940.db2.gz PLKDKRSTCFWYCN-UHFFFAOYSA-N 1 0 425.558 3.793 50 0 IHAARO CC[NH+](CC)CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021526365 520605725 /nfs/dbraw/zinc/60/57/25/520605725.db2.gz CZOAJAHCYTUWIF-ZPHNUYGRSA-N 1 0 442.604 3.876 50 0 IHAARO CCn1c2ccc(C(=O)NC[C@H](c3cccc(OC)c3)[NH+](CC)CC)cc2nc(C)c1=O ZINC000022700627 520866886 /nfs/dbraw/zinc/86/68/86/520866886.db2.gz NJTZRLBTIRRTTE-HSZRJFAPSA-N 1 0 436.556 3.546 50 0 IHAARO CCC[C@@]1(C2CC[NH+](Cc3ccc(OCC)cc3)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O ZINC000014888779 520957359 /nfs/dbraw/zinc/95/73/59/520957359.db2.gz FMNVEMSVDQZILH-RDGATRHJSA-N 1 0 443.588 3.567 50 0 IHAARO CC1CCN(c2ccc(-c3noc(C(=O)NCCC[N@@H+]4CCC[C@H](C)C4)n3)cc2)CC1 ZINC000035457360 521038420 /nfs/dbraw/zinc/03/84/20/521038420.db2.gz GONMMYBNDHNRSH-IBGZPJMESA-N 1 0 425.577 3.825 50 0 IHAARO CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(OC3CC[NH+](CC(C)(C)C)CC3)c2)C1 ZINC000011878976 521111049 /nfs/dbraw/zinc/11/10/49/521111049.db2.gz GCJAFVRBFCSBQK-HXUWFJFHSA-N 1 0 430.589 3.991 50 0 IHAARO CCCCc1cc(=O)oc2cc(OCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)ccc12 ZINC000012296855 521260625 /nfs/dbraw/zinc/26/06/25/521260625.db2.gz VURQDAYVZPVYMN-SIKLNZKXSA-N 1 0 426.557 3.895 50 0 biogenic IHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1c2ccccc2C(=O)N(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000034928138 521637261 /nfs/dbraw/zinc/63/72/61/521637261.db2.gz DYUBNJRYOJLSNZ-DCEDVJGZSA-N 1 0 447.579 3.739 50 0 IHAARO CCN1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2cc(OC)c(O)c(OC)c2)C[C@@]1(C)CO ZINC000012761597 521730041 /nfs/dbraw/zinc/73/00/41/521730041.db2.gz RJBFNYQXOPAVHY-OUOWLKGYSA-N 1 0 448.991 3.987 50 0 IHAARO CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000022759676 522023721 /nfs/dbraw/zinc/02/37/21/522023721.db2.gz BMQNGCWVSABPHS-FQEVSTJZSA-N 1 0 443.594 3.606 50 0 IHAARO COCCn1c(C)cc(O)c([C@H](c2cccnc2)[NH+]2CCC(Cc3ccccc3)CC2)c1=O ZINC000022697860 522064536 /nfs/dbraw/zinc/06/45/36/522064536.db2.gz BRIBYKOEUGRNKZ-SANMLTNESA-N 1 0 447.579 3.948 50 0 IHAARO C[N@H+](C1CCCCC1)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)CC1 ZINC000020977435 522411422 /nfs/dbraw/zinc/41/14/22/522411422.db2.gz IXSIIWANIUDGHU-UHFFFAOYSA-N 1 0 437.631 3.539 50 0 IHAARO CN(CC(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)Cc1cccnc1 ZINC000012434873 522419133 /nfs/dbraw/zinc/41/91/33/522419133.db2.gz QOBXFQHGZIZROS-JOCHJYFZSA-N 1 0 429.008 3.580 50 0 IHAARO COc1cc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)c(NC(=O)C2CC2)cc1OC ZINC000012416788 522502813 /nfs/dbraw/zinc/50/28/13/522502813.db2.gz FGXCKOUCYZVLBG-FQEVSTJZSA-N 1 0 440.540 3.841 50 0 IHAARO CCc1sc(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC[NH+](C)CC3)cc2)cc1C ZINC000012933482 523077167 /nfs/dbraw/zinc/07/71/67/523077167.db2.gz MCGRZRLAOAEQNR-UHFFFAOYSA-N 1 0 435.615 3.586 50 0 IHAARO COc1ccc(C2=NC3(CC[NH+](C)CC3)N=C2SCC(=O)Nc2ccc(C)cc2)cc1 ZINC000035372535 523873659 /nfs/dbraw/zinc/87/36/59/523873659.db2.gz SUSWGTWEMZDXQE-UHFFFAOYSA-N 1 0 436.581 3.999 50 0 IHAARO C[NH+]1CCN(c2nc3nn(-c4cccc(F)c4)c(N)c3c(-c3ccc(Cl)cc3)n2)CC1 ZINC000035925734 523928990 /nfs/dbraw/zinc/92/89/90/523928990.db2.gz HSRZOCVAGVJJNC-UHFFFAOYSA-N 1 0 437.910 3.609 50 0 IHAARO CCc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1 ZINC000020599651 523929775 /nfs/dbraw/zinc/92/97/75/523929775.db2.gz KUVSASPVOWNYHP-FQEVSTJZSA-N 1 0 431.584 3.709 50 0 IHAARO COc1ccc(CN2C[C@@H]3C[C@@H](c4cnn(-c5ccccc5)c4)[N@@H+]4CCC[C@@]34C2=O)cc1 ZINC000012467205 524041533 /nfs/dbraw/zinc/04/15/33/524041533.db2.gz XCQDZSGGNPWLEA-CVJWPJSTSA-N 1 0 428.536 3.819 50 0 IHAARO Cc1ccc(C)c(C[NH+]2CCC3(CC2)N=C(c2ccc(Br)cc2)C(=O)N3)c1 ZINC000035430983 524102132 /nfs/dbraw/zinc/10/21/32/524102132.db2.gz FXYRWMIUVKFDTC-UHFFFAOYSA-N 1 0 426.358 3.977 50 0 biogenic IHAARO Cc1cccc(C(=O)N(C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)n1 ZINC000012579657 524165112 /nfs/dbraw/zinc/16/51/12/524165112.db2.gz CCJXSXRAGYSBGU-RUZDIDTESA-N 1 0 433.596 3.891 50 0 IHAARO COc1ccc(Cl)c2sc(N(CC[NH+](C)C)C(=O)c3ccc4c(c3)OCCO4)nc21 ZINC000012345220 524188479 /nfs/dbraw/zinc/18/84/79/524188479.db2.gz QFVKPTZTSNICRC-UHFFFAOYSA-N 1 0 447.944 3.938 50 0 IHAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2cccc(OC)c2OC)CC1 ZINC000012299317 524409090 /nfs/dbraw/zinc/40/90/90/524409090.db2.gz UBAIPYWPHCLLQS-UHFFFAOYSA-N 1 0 426.557 3.739 50 0 IHAARO Cc1ccc(C[N@@H+]2CCc3nc(SCC(=O)Nc4ccc(F)cc4)[nH]c(=O)c3C2)cc1 ZINC000020467778 524477653 /nfs/dbraw/zinc/47/76/53/524477653.db2.gz GWMYGLPFMHLKLU-UHFFFAOYSA-N 1 0 438.528 3.919 50 0 IHAARO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](C3CCN(Cc4ccccc4)CC3)C2)CC1 ZINC000020783521 524561276 /nfs/dbraw/zinc/56/12/76/524561276.db2.gz OMLGGWJNXAOUHY-SANMLTNESA-N 1 0 448.655 3.946 50 0 IHAARO Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]CCc2cccnc2)C4)cc1 ZINC000012247289 524774355 /nfs/dbraw/zinc/77/43/55/524774355.db2.gz HJOAAVFRXWWKGY-HXUWFJFHSA-N 1 0 430.577 3.899 50 0 IHAARO COc1ccc(OC)c(-c2cc3c(c(Cl)c2)O[C@H](CNC(=O)[C@H]2CCC[N@H+](C)C2)C3)c1 ZINC000011975662 524793504 /nfs/dbraw/zinc/79/35/04/524793504.db2.gz HQYNQJIRQUUSMS-KXBFYZLASA-N 1 0 444.959 3.786 50 0 IHAARO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H](C(C)C)[NH2+][C@]23C(=O)Nc2c3cccc2Cl)c1 ZINC000035828274 524862368 /nfs/dbraw/zinc/86/23/68/524862368.db2.gz FWLWZNRQCPFTRS-YGJVYZRNSA-N 1 0 443.931 3.777 50 0 IHAARO C[C@@H](Cc1cccnc1)NC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000012437597 524926128 /nfs/dbraw/zinc/92/61/28/524926128.db2.gz VFNNUMFQZZHJKT-FQEVSTJZSA-N 1 0 430.552 3.881 50 0 IHAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)C2=C(C)OCCO2)CC1 ZINC000012305608 525137473 /nfs/dbraw/zinc/13/74/73/525137473.db2.gz DIRUZNGVWZRLDO-UHFFFAOYSA-N 1 0 435.568 3.909 50 0 IHAARO Cc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CN2CC[NH+](C)CC2)n3C(C)C)cc1 ZINC000020677926 525396061 /nfs/dbraw/zinc/39/60/61/525396061.db2.gz PKDOQUDWAIGSDD-UHFFFAOYSA-N 1 0 435.572 3.691 50 0 IHAARO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000057381168 525531502 /nfs/dbraw/zinc/53/15/02/525531502.db2.gz FVLLPSGGVACGMG-RYUDHWBXSA-N 1 0 445.919 3.546 50 0 IHAARO Cc1c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cccc1-n1nnc2cccnc21 ZINC000035422217 525603297 /nfs/dbraw/zinc/60/32/97/525603297.db2.gz SEDOWRFSHYXYNL-UHFFFAOYSA-N 1 0 426.524 3.518 50 0 IHAARO Cc1c2cccc(Cl)c2[nH]c1CN1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000020993764 525969637 /nfs/dbraw/zinc/96/96/37/525969637.db2.gz XMYCBSSSVCUQTD-FQEVSTJZSA-N 1 0 433.040 3.871 50 0 IHAARO C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022802540 526014400 /nfs/dbraw/zinc/01/44/00/526014400.db2.gz MXOVZBHKCPBCHH-OAQYLSRUSA-N 1 0 448.611 3.941 50 0 IHAARO Cc1ccc(C(=O)N(C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)c(=O)[nH]1 ZINC000012373086 526074521 /nfs/dbraw/zinc/07/45/21/526074521.db2.gz MNVJCISDBXVJNM-OAQYLSRUSA-N 1 0 441.547 3.768 50 0 IHAARO Cc1ccc(C(=O)NCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000057281514 526155991 /nfs/dbraw/zinc/15/59/91/526155991.db2.gz SHKWYADEDASVBE-UHFFFAOYSA-N 1 0 442.563 3.686 50 0 IHAARO Cc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cc1NS(C)(=O)=O ZINC000012521267 526174908 /nfs/dbraw/zinc/17/49/08/526174908.db2.gz YUFRNVWDTCHPAM-IBGZPJMESA-N 1 0 435.615 3.631 50 0 IHAARO O=C(NCCCn1ccnc1)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012205280 526290586 /nfs/dbraw/zinc/29/05/86/526290586.db2.gz CGBKTUAVHBRAMX-UHFFFAOYSA-N 1 0 432.568 3.789 50 0 IHAARO Cc1nn([C@H](C)C(=O)N2CC[NH+](C3CCCCC3)CC2)c(=O)c2c3ccccc3sc21 ZINC000020466895 526305005 /nfs/dbraw/zinc/30/50/05/526305005.db2.gz LKTSHSJTDTVZHC-QGZVFWFLSA-N 1 0 438.597 3.958 50 0 IHAARO Fc1ccc(N2CCN([C@H]3CCC[N@H+](Cc4cnc(N5CCCC5)s4)C3)CC2)cc1 ZINC000020562446 526352879 /nfs/dbraw/zinc/35/28/79/526352879.db2.gz MBCPIJZHABJKRN-NRFANRHFSA-N 1 0 429.609 3.669 50 0 IHAARO Cc1nnc(SCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)n1Cc1ccccc1 ZINC000012687780 526379922 /nfs/dbraw/zinc/37/99/22/526379922.db2.gz RZPWEPMTILRSES-UHFFFAOYSA-N 1 0 435.597 3.508 50 0 IHAARO O=C(NCCc1ccccn1)[C@H]1CC12CC[NH+](Cc1ccc(Oc3ncccn3)cc1)CC2 ZINC000012149528 526433662 /nfs/dbraw/zinc/43/36/62/526433662.db2.gz GBFZMKRESOWEKO-HSZRJFAPSA-N 1 0 443.551 3.625 50 0 IHAARO O=C(c1ccccc1OC1CC[NH+](Cc2ccccc2OCCO)CC1)N1CCCCC1 ZINC000012440045 526809860 /nfs/dbraw/zinc/80/98/60/526809860.db2.gz MCCLNYZNHATPIL-UHFFFAOYSA-N 1 0 438.568 3.727 50 0 IHAARO O=C(CN1c2cccnc2Sc2ccccc2C1=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000020512036 526829143 /nfs/dbraw/zinc/82/91/43/526829143.db2.gz PUBRYBJRMMWSLZ-UHFFFAOYSA-N 1 0 436.581 3.670 50 0 IHAARO O=C(c1cn(C(c2ccccc2)c2ccccc2)nn1)N1CCC[C@H](C[NH+]2CCCC2)C1 ZINC000012596897 526863713 /nfs/dbraw/zinc/86/37/13/526863713.db2.gz AVNQALCVQATHSX-OAQYLSRUSA-N 1 0 429.568 3.864 50 0 IHAARO O=C(c1nc(N2CCCC2)nc2c1CCCC2)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000012442484 526916905 /nfs/dbraw/zinc/91/69/05/526916905.db2.gz HMRPXKBYYUEQGE-UHFFFAOYSA-N 1 0 447.627 3.736 50 0 IHAARO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(-n3cccn3)c2)C1 ZINC000012590569 527171586 /nfs/dbraw/zinc/17/15/86/527171586.db2.gz LCUSPNMUPCUCCZ-LJQANCHMSA-N 1 0 426.524 3.975 50 0 IHAARO O=S(=O)(NCCC[NH+]1CCCCCC1)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000020977963 527214514 /nfs/dbraw/zinc/21/45/14/527214514.db2.gz WXDFAJXJSWIVRG-UHFFFAOYSA-N 1 0 437.509 3.966 50 0 IHAARO O=S(=O)(N[C@@H]1CCCC[C@H]1N1CC[NH+](C2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000020441724 527236438 /nfs/dbraw/zinc/23/64/38/527236438.db2.gz KSXFVFBADVPBKS-FGZHOGPDSA-N 1 0 440.053 3.880 50 0 IHAARO Cn1cnnc1Sc1ccc(CN(CCc2ccccc2)C[C@@H]2CCC[N@H+](C)C2)o1 ZINC000012712649 527530276 /nfs/dbraw/zinc/53/02/76/527530276.db2.gz FJILPCMKIFZMKN-HXUWFJFHSA-N 1 0 425.602 3.946 50 0 IHAARO CC1(COc2ccc3c(c2)ncn3-c2ccc3cccc(N4CCC([NH3+])CC4)c3n2)COC1 ZINC000003820043 535167038 /nfs/dbraw/zinc/16/70/38/535167038.db2.gz DYNHJHQFHQTFTP-UHFFFAOYSA-N 1 0 443.551 3.917 50 0 investigational IHAARO NC(=O)C(c1ccccc1)(c1ccccc1)[C@H]1CC[N@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000000597532 555510787 /nfs/dbraw/zinc/51/07/87/555510787.db2.gz HXGBXQDTNZMWGS-VWLOTQADSA-N 1 0 426.560 3.958 50 0 in-man IHAARO COc1cccc(-c2cn(-c3ccc(CC[NH+]4CCC(O)CC4)cc3)c3ncnc(N)c23)c1 ZINC000001488120 555701975 /nfs/dbraw/zinc/70/19/75/555701975.db2.gz WUPXZZWTHIZICK-UHFFFAOYSA-N 1 0 443.551 3.678 50 0 in-vitro IHAARO COc1ccc(CN(C(=O)C2CC2)c2ccc(CC(=O)NCC[NH+]3CCCCC3)cc2)cc1 ZINC000034679661 555798702 /nfs/dbraw/zinc/79/87/02/555798702.db2.gz XJSVCQDARGMFKQ-UHFFFAOYSA-N 1 0 449.595 3.783 50 0 IHAARO CC[NH+](CC)CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1C(=O)OC)CCC2 ZINC000003000381 555877629 /nfs/dbraw/zinc/87/76/29/555877629.db2.gz NHDMOPJRQRZZLL-UHFFFAOYSA-N 1 0 429.542 3.556 50 0 IHAARO CCCCC(=O)N(CC[NH+](C)C)Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000034921473 555931858 /nfs/dbraw/zinc/93/18/58/555931858.db2.gz PBQAXMHNYARFQZ-UHFFFAOYSA-N 1 0 436.549 3.674 50 0 IHAARO COc1ccc2nc(N3CCC[C@@H](C(=O)NCCC[N@@H+]4CCC[C@H](C)C4)C3)sc2c1 ZINC000004757550 556010090 /nfs/dbraw/zinc/01/00/90/556010090.db2.gz VPAFHNCLEOHSTH-ZWKOTPCHSA-N 1 0 430.618 3.760 50 0 IHAARO CCOc1ccc(Br)cc1C[NH2+]CCSc1nnnn1-c1ccccc1 ZINC000008614144 556192263 /nfs/dbraw/zinc/19/22/63/556192263.db2.gz HQEYPHANYDDDLF-UHFFFAOYSA-N 1 0 434.363 3.705 50 0 IHAARO COc1ccc2[nH]cc(CC[NH2+][C@H]3CC(=O)N(c4cccc(Cl)c4Cl)C3=O)c2c1 ZINC000009482576 556294174 /nfs/dbraw/zinc/29/41/74/556294174.db2.gz JHRMTWKOXWFCNZ-KRWDZBQOSA-N 1 0 432.307 3.948 50 0 IHAARO CCOc1cc(C[NH2+]C[C@H](O)c2ccccc2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013729639 556294792 /nfs/dbraw/zinc/29/47/92/556294792.db2.gz KXWNFKZXOZMYDP-NRFANRHFSA-N 1 0 431.496 3.677 50 0 IHAARO COc1ccc(CC(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)cc1OC ZINC000011709453 556347764 /nfs/dbraw/zinc/34/77/64/556347764.db2.gz ZRCYCNXKTZKRIP-FQEVSTJZSA-N 1 0 428.548 3.799 50 0 IHAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N(C)CCc2cnn(C)c2)c1 ZINC000011763791 556349274 /nfs/dbraw/zinc/34/92/74/556349274.db2.gz SVABHHMYCRITHZ-UHFFFAOYSA-N 1 0 440.588 3.529 50 0 IHAARO Cc1cc(=O)c(C(=O)N(C)Cc2cccs2)c(CCc2ccccc2)n1CC[NH+](C)C ZINC000011782768 556351311 /nfs/dbraw/zinc/35/13/11/556351311.db2.gz GDOQYWHEJHSTHY-UHFFFAOYSA-N 1 0 437.609 3.837 50 0 IHAARO CCOc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3CCc3ccccc3F)C2)ccc1O ZINC000011788140 556354630 /nfs/dbraw/zinc/35/46/30/556354630.db2.gz WGSXRVBROHJJFR-IRLDBZIGSA-N 1 0 426.532 3.986 50 0 IHAARO CN(CCc1ccccc1)C(=O)c1nc2sccn2c1C[N@H+](C)CCC1CCOCC1 ZINC000011819540 556361279 /nfs/dbraw/zinc/36/12/79/556361279.db2.gz SJMMOKBUJMZLPG-UHFFFAOYSA-N 1 0 440.613 3.959 50 0 IHAARO COc1cc(OC)cc(C(=O)NC[C@H]2CCC3(CC[NH+](Cc4ccccc4F)CC3)O2)c1 ZINC000011839367 556364355 /nfs/dbraw/zinc/36/43/55/556364355.db2.gz SEGRTPDOLDVHEL-HXUWFJFHSA-N 1 0 442.531 3.787 50 0 IHAARO CCN1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2ccc(OCCO)cc2)C[C@@]1(C)CO ZINC000011844336 556367169 /nfs/dbraw/zinc/36/71/69/556367169.db2.gz HCFGFXFVKAAHLI-QDSKXPNFSA-N 1 0 432.992 3.635 50 0 IHAARO Cc1noc(C)c1S(=O)(=O)N(Cc1cccc(OCC[NH+]2CCCCC2)c1)C1CC1 ZINC000011881092 556372839 /nfs/dbraw/zinc/37/28/39/556372839.db2.gz JMAIXRUNCLZXHH-UHFFFAOYSA-N 1 0 433.574 3.509 50 0 IHAARO CN(Cc1cscn1)C(=O)[C@@H]1CC12CC[NH+](Cc1cnn(-c3ccc(F)cc3)c1)CC2 ZINC000012041363 556391152 /nfs/dbraw/zinc/39/11/52/556391152.db2.gz GPPQJVQDLFBERS-NRFANRHFSA-N 1 0 439.560 3.729 50 0 IHAARO O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000014245834 556405817 /nfs/dbraw/zinc/40/58/17/556405817.db2.gz VJJHIFMOTDBWOI-QHCPKHFHSA-N 1 0 431.561 3.987 50 0 IHAARO COc1cccc([C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c2nccn2C)c1 ZINC000028391258 556453454 /nfs/dbraw/zinc/45/34/54/556453454.db2.gz HIKBENFUAUGLFF-HSZRJFAPSA-N 1 0 433.556 3.613 50 0 IHAARO COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@@H+](C/C=C/C(C)C)CC3)o1 ZINC000014883213 556454805 /nfs/dbraw/zinc/45/48/05/556454805.db2.gz ARQPRWHVKWWJIA-YJJPMGAVSA-N 1 0 443.592 3.605 50 0 IHAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](C3CSCCSC3)C2)c(OC)c1 ZINC000014949205 556460187 /nfs/dbraw/zinc/46/01/87/556460187.db2.gz CPMWHNNVTGRCPU-KRWDZBQOSA-N 1 0 438.659 3.661 50 0 IHAARO CCN1CCN(C(=O)c2ccc(N3CCC([NH2+]Cc4ccc(F)c(F)c4)CC3)cc2)CC1 ZINC000014977403 556469165 /nfs/dbraw/zinc/46/91/65/556469165.db2.gz SXIRCZHPJDTKHH-UHFFFAOYSA-N 1 0 442.554 3.501 50 0 IHAARO COc1ccccc1CCN1C(=O)CC[C@H]1CC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000014995673 556477557 /nfs/dbraw/zinc/47/75/57/556477557.db2.gz TUGUMTPAEKFNHV-SFHVURJKSA-N 1 0 430.932 3.791 50 0 IHAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]2CCCN(c3cnccn3)C2)cc1 ZINC000029787034 556482544 /nfs/dbraw/zinc/48/25/44/556482544.db2.gz RHIVFKADEQWQBM-QHCPKHFHSA-N 1 0 429.568 3.738 50 0 IHAARO COc1ccc(C(=O)N2CCC(CCC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000015064088 556491479 /nfs/dbraw/zinc/49/14/79/556491479.db2.gz QNMPHHBSSRJELL-DEOSSOPVSA-N 1 0 449.595 3.718 50 0 IHAARO Cc1nn(C)cc1C[NH2+][C@@H]1CCc2c(sc3ncn(Cc4ccc(C)cc4)c(=O)c23)C1 ZINC000015071868 556496739 /nfs/dbraw/zinc/49/67/39/556496739.db2.gz HCMHGQPOKYYICT-LJQANCHMSA-N 1 0 433.581 3.504 50 0 IHAARO CCOC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000015346785 556522681 /nfs/dbraw/zinc/52/26/81/556522681.db2.gz ZVKLRSXGRVQHCN-DENIHFKCSA-N 1 0 433.495 3.707 50 0 IHAARO C[C@H]1c2cccn2CCN1CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000015417458 556526828 /nfs/dbraw/zinc/52/68/28/556526828.db2.gz RRMLHPCIJWUMFJ-QFIPXVFZSA-N 1 0 443.595 3.826 50 0 IHAARO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCN(Cc2ccccc2)CC1 ZINC000015679385 556543066 /nfs/dbraw/zinc/54/30/66/556543066.db2.gz ZUFLUPJXGNFHGL-UHFFFAOYSA-N 1 0 425.330 3.797 50 0 IHAARO C[N@H+](CC1CC1)C[C@H]1CCN(CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)C1 ZINC000072308996 556569065 /nfs/dbraw/zinc/56/90/65/556569065.db2.gz NVRMVWKLVWAEII-QUCCMNQESA-N 1 0 426.586 3.683 50 0 IHAARO COc1ccc(NC(=O)c2c(NC(=O)C[NH2+]C(C)(C)C)sc3c2CCC3)c(OC)c1 ZINC000003001186 556578575 /nfs/dbraw/zinc/57/85/75/556578575.db2.gz PHTWGWSDSHRIHN-UHFFFAOYSA-N 1 0 431.558 3.833 50 0 IHAARO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CCC(=O)NCC[NH+]2CCCC2)c1 ZINC000032975001 556596830 /nfs/dbraw/zinc/59/68/30/556596830.db2.gz QOMALWSLKUPYLE-UHFFFAOYSA-N 1 0 448.567 3.701 50 0 IHAARO COc1ccccc1/C=C1/Oc2ccc(C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)cc2NC1=O ZINC000032983763 556602703 /nfs/dbraw/zinc/60/27/03/556602703.db2.gz DVMIWLQUNDTSKV-MRSJDWDVSA-N 1 0 449.551 3.919 50 0 IHAARO O=C(NCCC[NH+]1CCCC1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2 ZINC000032983893 556602746 /nfs/dbraw/zinc/60/27/46/556602746.db2.gz SBWXZICKGGAJLK-QNGOZBTKSA-N 1 0 425.916 3.928 50 0 IHAARO O=C(NCC[NH+]1CCCCC1)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)O2 ZINC000032983964 556602861 /nfs/dbraw/zinc/60/28/61/556602861.db2.gz XAWSPOWVRZSOPC-KGENOOAVSA-N 1 0 425.916 3.928 50 0 IHAARO CC[NH+]1CCN([C@H](C)CNc2nc(COC)nc3scc(-c4ccccc4)c32)CC1 ZINC000060277695 556605804 /nfs/dbraw/zinc/60/58/04/556605804.db2.gz WEKNHCXPEBJOQV-QGZVFWFLSA-N 1 0 425.602 3.943 50 0 IHAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cc(OC)cc(OC)c2)CN1Cc1cccc2ccccc21 ZINC000039557895 556629537 /nfs/dbraw/zinc/62/95/37/556629537.db2.gz QHGYDBCPZFQMAM-NVQXNPDNSA-N 1 0 447.579 3.726 50 0 IHAARO Cc1cc2nc(C)c(=O)n(Cc3ccc(C(=O)NCC[NH+]4CCCCCC4)cc3)c2cc1C ZINC000033006086 556655284 /nfs/dbraw/zinc/65/52/84/556655284.db2.gz OYXSEQZOIFPFRK-UHFFFAOYSA-N 1 0 446.595 3.976 50 0 IHAARO C[C@@]1(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1(Br)Br ZINC000017096739 556660650 /nfs/dbraw/zinc/66/06/50/556660650.db2.gz QNCNSSXTPLIVSW-INIZCTEOSA-N 1 0 430.184 3.663 50 0 IHAARO CCOc1nc2c(c(C)nn2-c2cccc(C)c2)c(C)c1CCC(=O)NCC[NH+]1CCCC1 ZINC000046006201 556690361 /nfs/dbraw/zinc/69/03/61/556690361.db2.gz VKDPACYWFSORCN-UHFFFAOYSA-N 1 0 449.599 3.889 50 0 IHAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2cccc(NC(=O)c3nnc(C4CC4)s3)c2)C1 ZINC000033023064 556691405 /nfs/dbraw/zinc/69/14/05/556691405.db2.gz JCTGMJVJIZMMBW-HNNXBMFYSA-N 1 0 427.574 3.520 50 0 IHAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CC1CCN(C(=O)c2[nH]c(C)c(C)c2C)CC1 ZINC000033024416 556695082 /nfs/dbraw/zinc/69/50/82/556695082.db2.gz RCGHDEMPSRDLJK-QFIPXVFZSA-N 1 0 430.637 3.953 50 0 IHAARO CC[NH+]1CCN(CCNC(=O)c2cccc(Nc3ccnc(-c4ccc(C)cc4)n3)c2)CC1 ZINC000033025300 556699558 /nfs/dbraw/zinc/69/95/58/556699558.db2.gz YCIPHDQYEKCHOR-UHFFFAOYSA-N 1 0 444.583 3.563 50 0 IHAARO O=C1CC[N@@H+](C2CCN(Cc3c[nH]nc3-c3ccc(-c4ccccc4)cc3)CC2)CCN1 ZINC000019217794 556713060 /nfs/dbraw/zinc/71/30/60/556713060.db2.gz OACPMZLDMOXHMB-UHFFFAOYSA-N 1 0 429.568 3.530 50 0 IHAARO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)c3cccc(-n4cccn4)c3)C2)CC1 ZINC000055245367 556738575 /nfs/dbraw/zinc/73/85/75/556738575.db2.gz RKRAKASUXWBVIL-DEOSSOPVSA-N 1 0 429.568 3.608 50 0 IHAARO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)CC[C@@H]3Cc4ccccc4NC3=O)cc2)C[C@@H](C)O1 ZINC000058082826 556757182 /nfs/dbraw/zinc/75/71/82/556757182.db2.gz FLDPUDIBDQLUPU-DNVFCKCGSA-N 1 0 435.568 3.503 50 0 IHAARO CC[N@@H+]1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3ccc4c(c3)CCC4)c(=O)c2C1 ZINC000062007154 556765312 /nfs/dbraw/zinc/76/53/12/556765312.db2.gz LHLVRGQXYUMWNW-UHFFFAOYSA-N 1 0 446.526 3.555 50 0 IHAARO O=C(NC[C@H]([C@@H]1CCOC1)[NH+]1CCCC1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000058167344 556767110 /nfs/dbraw/zinc/76/71/10/556767110.db2.gz ASJZOEWOQOKTKL-VQIMIIECSA-N 1 0 428.558 3.623 50 0 IHAARO O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000059949300 556805436 /nfs/dbraw/zinc/80/54/36/556805436.db2.gz SPBVLDJXTCNKMM-UHFFFAOYSA-N 1 0 434.536 3.789 50 0 IHAARO COc1ccc(-n2c(SCC[NH2+]CCO)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000003359386 556811767 /nfs/dbraw/zinc/81/17/67/556811767.db2.gz DVVAGNZKLKNGNH-UHFFFAOYSA-N 1 0 426.586 3.914 50 0 IHAARO Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]CCCn2ccnc2)C4)cc1 ZINC000067850280 556847280 /nfs/dbraw/zinc/84/72/80/556847280.db2.gz SBRKZXXZWDHGFT-LJQANCHMSA-N 1 0 433.581 3.548 50 0 IHAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)C3CCN(c4nc5ccccc5[nH]4)CC3)C2)cc1 ZINC000033071069 556851233 /nfs/dbraw/zinc/85/12/33/556851233.db2.gz KXKMWYUJPAOCDQ-NRFANRHFSA-N 1 0 431.584 3.726 50 0 IHAARO Cc1c(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)sc2nc[nH]c(=O)c12 ZINC000033073412 556852718 /nfs/dbraw/zinc/85/27/18/556852718.db2.gz NEFFBCJGPOBGFT-UHFFFAOYSA-N 1 0 430.961 3.588 50 0 IHAARO Cc1ccc(C[NH+]2CCC(CNC(=O)Cn3c4cc(C)c(C)cc4nc(C)c3=O)CC2)cc1 ZINC000033254820 556893962 /nfs/dbraw/zinc/89/39/62/556893962.db2.gz XGPUCMKQVPIOJX-UHFFFAOYSA-N 1 0 446.595 3.659 50 0 IHAARO CC[NH+]1CCN(CCNC(=O)c2ccc(Nc3cc(-c4cccc(C)c4)ncn3)cc2)CC1 ZINC000033261173 556898843 /nfs/dbraw/zinc/89/88/43/556898843.db2.gz XXWXSBYYHJNTKF-UHFFFAOYSA-N 1 0 444.583 3.563 50 0 IHAARO COC(=O)c1ccccc1NC(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019901650 556942062 /nfs/dbraw/zinc/94/20/62/556942062.db2.gz NWVKKJUHBQTNTN-UHFFFAOYSA-N 1 0 443.547 3.819 50 0 IHAARO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@@H](C)N1CC[NH+](C2CCCCC2)CC1 ZINC000019948801 556954593 /nfs/dbraw/zinc/95/45/93/556954593.db2.gz RQYJLKUFFIDFFJ-QGZVFWFLSA-N 1 0 426.561 3.540 50 0 IHAARO CCNC(=O)N1CCC[C@H](c2cccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c2)C1 ZINC000033264156 556973762 /nfs/dbraw/zinc/97/37/62/556973762.db2.gz VZSQGIBLOXKMGN-QFIPXVFZSA-N 1 0 426.605 3.686 50 0 IHAARO CS[C@@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000097163899 556994191 /nfs/dbraw/zinc/99/41/91/556994191.db2.gz OUBHMPWIIJGZJR-UONOGXRCSA-N 1 0 428.929 3.559 50 0 IHAARO CN(C)c1ncc(C[NH+]2CCC(Oc3ccccc3C(=O)N3CCCCC3)CC2)s1 ZINC000020202464 556998029 /nfs/dbraw/zinc/99/80/29/556998029.db2.gz QDXOBWRGHKICRJ-UHFFFAOYSA-N 1 0 428.602 3.879 50 0 IHAARO CCC(=O)Nc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000023127654 557011834 /nfs/dbraw/zinc/01/18/34/557011834.db2.gz INGHPAVTYSGDOM-UHFFFAOYSA-N 1 0 429.586 3.534 50 0 IHAARO Cc1cc(C)c2c(n1)sc(C(=O)N1CCN(CC[NH+]3CCCC3)CC1)c2-n1cccc1 ZINC000022924710 557048086 /nfs/dbraw/zinc/04/80/86/557048086.db2.gz USIMJPMFGSQVCO-UHFFFAOYSA-N 1 0 437.613 3.557 50 0 IHAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000048362518 557074744 /nfs/dbraw/zinc/07/47/44/557074744.db2.gz UVVOTHYDDUZDBR-NRFANRHFSA-N 1 0 436.581 3.983 50 0 IHAARO COc1cccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3cccn3-c3ncccn3)C2)c1 ZINC000023311399 557083424 /nfs/dbraw/zinc/08/34/24/557083424.db2.gz HYBLEOCWJQADML-HXUWFJFHSA-N 1 0 433.556 3.585 50 0 IHAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)COCCOc2ccc(Cl)cc2)CC1 ZINC000023211997 557106412 /nfs/dbraw/zinc/10/64/12/557106412.db2.gz YMCXTFCIPQSLLW-HXUWFJFHSA-N 1 0 439.383 3.880 50 0 IHAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)CCCCCN1C(=O)c2ccccc2C1=O ZINC000017666694 557106510 /nfs/dbraw/zinc/10/65/10/557106510.db2.gz OSFQUYGPCXYOTG-LADGPHEKSA-N 1 0 445.563 3.986 50 0 IHAARO Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000011422703 557145970 /nfs/dbraw/zinc/14/59/70/557145970.db2.gz VSZCYODJKYHURL-UHFFFAOYSA-N 1 0 429.586 3.835 50 0 IHAARO CC[C@](C)(C(=O)Nc1cc(OC)cc(OC)c1)N(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(C)=O ZINC000043883964 557147397 /nfs/dbraw/zinc/14/73/97/557147397.db2.gz POZFQCFCTQXDEA-DNVKUUNQSA-N 1 0 445.604 3.924 50 0 IHAARO COc1ccc(OC[C@@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000095863086 557160909 /nfs/dbraw/zinc/16/09/09/557160909.db2.gz HWOZPWSVHRWXJU-DEOSSOPVSA-N 1 0 432.564 3.842 50 0 IHAARO COc1ccc(OC)c([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CC[NH+](C)C)c1 ZINC000011614659 557211329 /nfs/dbraw/zinc/21/13/29/557211329.db2.gz VVWQYLKLXFYANX-FQEVSTJZSA-N 1 0 442.899 3.570 50 0 IHAARO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000025804893 557227134 /nfs/dbraw/zinc/22/71/34/557227134.db2.gz ZJVVAZKVWMHWMF-UHFFFAOYSA-N 1 0 442.567 3.822 50 0 IHAARO CCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1nc3ccccc3s1)CC2 ZINC000014752606 557228092 /nfs/dbraw/zinc/22/80/92/557228092.db2.gz JADXZGBYSDHFPE-UHFFFAOYSA-N 1 0 435.553 3.510 50 0 IHAARO CCOC(=O)c1cc2cc(NC(=O)NC[C@@H]([C@H]3CCOC3)[NH+]3CCCC3)ccc2s1 ZINC000069951177 557238745 /nfs/dbraw/zinc/23/87/45/557238745.db2.gz WRWOQKVVLPKIGZ-YJBOKZPZSA-N 1 0 431.558 3.700 50 0 IHAARO COc1ccc([C@H]2CCC[N@@H+]2CCC(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)c1 ZINC000026908166 557250926 /nfs/dbraw/zinc/25/09/26/557250926.db2.gz JWLBCZNAJJCACP-HSZRJFAPSA-N 1 0 441.547 3.719 50 0 IHAARO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000027674746 557271277 /nfs/dbraw/zinc/27/12/77/557271277.db2.gz MXODSKFZFFGHJB-DLBZAZTESA-N 1 0 440.034 3.672 50 0 IHAARO CN1c2ccccc2[C@]2(Nc3ccccc3C(=O)N2C[C@@H](c2ccccc2)[NH+](C)C)C1=O ZINC000101638203 557292202 /nfs/dbraw/zinc/29/22/02/557292202.db2.gz ZUMVUJUNFASJBG-JYFHCDHNSA-N 1 0 426.520 3.687 50 0 IHAARO C[C@@H]([NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc2ccccc21 ZINC000014141743 557310443 /nfs/dbraw/zinc/31/04/43/557310443.db2.gz GXRQFDHUHNTKTD-GOSISDBHSA-N 1 0 437.565 3.914 50 0 IHAARO CC(C)[C@H](CNc1nc(CN2CCOCC2)nc2sc3c(c21)CC[C@@H](C)C3)[NH+](C)C ZINC000032902992 557317021 /nfs/dbraw/zinc/31/70/21/557317021.db2.gz XKTAKTCJWOTUKI-AEFFLSMTSA-N 1 0 431.650 3.646 50 0 IHAARO COCCn1c(C)cc(O)c([C@H](c2ccc(C)cc2)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000024023003 557391475 /nfs/dbraw/zinc/39/14/75/557391475.db2.gz QCVCJESEFGGDQG-SANMLTNESA-N 1 0 447.579 3.729 50 0 IHAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C[C@H](O)CC ZINC000105003848 557470752 /nfs/dbraw/zinc/47/07/52/557470752.db2.gz DBTGVEJIBLUZCK-XMSQKQJNSA-N 1 0 446.613 3.744 50 0 IHAARO CCOC(=O)CSc1nc2c3ccccc3sc2c(=O)n1CCC[NH+]1CCCC1 ZINC000002962002 562931257 /nfs/dbraw/zinc/93/12/57/562931257.db2.gz SKDRHRAYBYQVNU-UHFFFAOYSA-N 1 0 431.583 3.752 50 0 in-vitro IHAARO CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000003211581 562932828 /nfs/dbraw/zinc/93/28/28/562932828.db2.gz WXCOWWSQUYQFTG-DYESRHJHSA-N 1 0 449.642 3.734 50 0 IHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc3c(c2)NC(=O)[C@H](N2CCCCC2)S3)C1 ZINC000004035484 562941120 /nfs/dbraw/zinc/94/11/20/562941120.db2.gz IDTSOTQCVWNYBM-QZTZHPFYSA-N 1 0 444.645 3.641 50 0 IHAARO Cc1c(O[C@@H](C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc2c3c(c(=O)oc12)CCC3 ZINC000006659131 562948147 /nfs/dbraw/zinc/94/81/47/562948147.db2.gz PLBJLUVIAZBMHI-HNNXBMFYSA-N 1 0 426.557 3.783 50 0 IHAARO Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)NCCC[N@H+](Cc1ccccc1)C(C)C ZINC000008596919 562953889 /nfs/dbraw/zinc/95/38/89/562953889.db2.gz KULHEMZQMFKURH-UHFFFAOYSA-N 1 0 438.572 3.984 50 0 IHAARO Cc1oc(-c2ccc(C)cc2)nc1C[S@@](=O)CC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000008676643 562961458 /nfs/dbraw/zinc/96/14/58/562961458.db2.gz OEVNUWITNDTCCO-SKCLWPTLSA-N 1 0 445.629 3.691 50 0 aggregator IHAARO Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCC[NH+](CC(C)C)CC(C)C)o1 ZINC000009731588 562976246 /nfs/dbraw/zinc/97/62/46/562976246.db2.gz COOJADUXYGETDS-UHFFFAOYSA-N 1 0 434.602 3.906 50 0 IHAARO CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@H+](Cc2cc(OC)c(O)c(OC)c2)C1 ZINC000011709763 562979136 /nfs/dbraw/zinc/97/91/36/562979136.db2.gz GYKAIHMEXOFRCM-RUZDIDTESA-N 1 0 443.540 3.806 50 0 IHAARO CCCC[N@H+](C)CCCNC(=O)c1ccc2c(c1)N(CC)C(=O)c1ccccc1[S@@]2=O ZINC000015944147 563020155 /nfs/dbraw/zinc/02/01/55/563020155.db2.gz KQPGKBVFQISYOA-WJOKGBTCSA-N 1 0 441.597 3.685 50 0 IHAARO CC[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2)CCS3)CC1 ZINC000020355093 563024467 /nfs/dbraw/zinc/02/44/67/563024467.db2.gz RNGFNLAKMJPLJI-UHFFFAOYSA-N 1 0 438.641 3.556 50 0 IHAARO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982513 568622713 /nfs/dbraw/zinc/62/27/13/568622713.db2.gz BAQDBLMDVNPJGN-FCHUYYIVSA-N 1 0 428.504 3.525 50 0 IHAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000043942559 568743734 /nfs/dbraw/zinc/74/37/34/568743734.db2.gz IHEYCSUMCOINPM-UHFFFAOYSA-N 1 0 433.524 3.654 50 0 IHAARO COCCn1ccc2c1cccc2OCC(=O)Nc1ccc2c(c1)ncn2CCC[NH+](C)C ZINC000263588654 568761259 /nfs/dbraw/zinc/76/12/59/568761259.db2.gz WTVQMVSMWVFTTH-UHFFFAOYSA-N 1 0 449.555 3.607 50 0 IHAARO Cc1nn(-c2ccc(Cl)cc2)cc1-c1noc(C(=O)NCC[N@@H+](C)C2CCCCC2)n1 ZINC000015729776 568813722 /nfs/dbraw/zinc/81/37/22/568813722.db2.gz AJXQPNRTXNEIJN-UHFFFAOYSA-N 1 0 442.951 3.878 50 0 IHAARO CC[N@H+](CCCNS(=O)(=O)c1ccc2c(c1)NC(=O)C[C@@H](C)S2)Cc1ccccc1 ZINC000015730933 568814445 /nfs/dbraw/zinc/81/44/45/568814445.db2.gz RVKHNKVVEVJPIU-QGZVFWFLSA-N 1 0 447.626 3.700 50 0 IHAARO CCC[C@H](C)[NH+]1CCN(C(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)CC1 ZINC000015734846 568816465 /nfs/dbraw/zinc/81/64/65/568816465.db2.gz QDXSDAYPYGBRJB-SFHVURJKSA-N 1 0 427.618 3.754 50 0 IHAARO Cc1ccc(S(=O)(=O)n2c3ccc(C)cc3c3c2CCN(C2CC[NH+](C)CC2)C3)cc1 ZINC000085393332 568817228 /nfs/dbraw/zinc/81/72/28/568817228.db2.gz XHDNKCDYGAAVBS-UHFFFAOYSA-N 1 0 437.609 3.947 50 0 IHAARO COc1ccc(OC)c(CN2CCc3nc(Nc4cc(OC)ccc4OC)ncc3C2)c1 ZINC000015779067 568824757 /nfs/dbraw/zinc/82/47/57/568824757.db2.gz DMCICECOJMFAHG-UHFFFAOYSA-N 1 0 436.512 3.813 50 0 IHAARO COc1ccc(OC)c(Nc2ncc3c(n2)CCN(Cc2cccc(OC)c2OC)C3)c1 ZINC000015779063 568824763 /nfs/dbraw/zinc/82/47/63/568824763.db2.gz VJHVOHWRCRNWDK-UHFFFAOYSA-N 1 0 436.512 3.813 50 0 IHAARO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H](CC(C)C)[NH2+][C@@]23C(=O)Nc2ccc(C)cc23)cc1 ZINC000016026661 568864662 /nfs/dbraw/zinc/86/46/62/568864662.db2.gz VORDSJCBYIFJSS-HEKZAOSPSA-N 1 0 449.551 3.982 50 0 IHAARO Cc1onc(-c2ccncc2)c1C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000035478625 568882811 /nfs/dbraw/zinc/88/28/11/568882811.db2.gz YJXGKJWMCMKIQW-UHFFFAOYSA-N 1 0 439.947 3.641 50 0 IHAARO O[C@H](COCc1ccco1)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147205 568962527 /nfs/dbraw/zinc/96/25/27/568962527.db2.gz ATMVDXRQDKRHPM-UPVQGACJSA-N 1 0 438.499 3.992 50 0 IHAARO Cc1ccc(Cc2c(C)nc(C)nc2N2CC[NH+](C[C@H](O)Cc3ccccc3)CC2)cc1 ZINC000036340478 569078945 /nfs/dbraw/zinc/07/89/45/569078945.db2.gz HGHFCJDDGZPPNF-RUZDIDTESA-N 1 0 430.596 3.718 50 0 IHAARO CC(C)Oc1ccc(CNC(=O)c2cccnc2N2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000065255863 569123038 /nfs/dbraw/zinc/12/30/38/569123038.db2.gz ZBTZLLDTUQOWBP-DEOSSOPVSA-N 1 0 430.552 3.950 50 0 IHAARO CC[N@H+](CCNC(=O)c1cn2ccnc(-c3ccc(OC)cc3)c2n1)Cc1ccccc1 ZINC000065274627 569128353 /nfs/dbraw/zinc/12/83/53/569128353.db2.gz YRBWJFAQMCRWOT-UHFFFAOYSA-N 1 0 429.524 3.657 50 0 IHAARO O=C(c1cc2c(s1)CC[C@H](C(=O)N1CC[NH+](C3CCCCC3)CC1)C2)N1CCCC1 ZINC000065272896 569129187 /nfs/dbraw/zinc/12/91/87/569129187.db2.gz HDFXUTNJKXAGFP-SFHVURJKSA-N 1 0 429.630 3.566 50 0 IHAARO CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N2CCC(CCC[NH+](C)C)CC2)C1(C)C ZINC000170602335 569143279 /nfs/dbraw/zinc/14/32/79/569143279.db2.gz OKPPBAKHGVAMOK-DVECYGJZSA-N 1 0 439.641 3.665 50 0 IHAARO Cc1c(OCC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc2c3c(c(=O)oc12)CCCC3 ZINC000170613427 569146243 /nfs/dbraw/zinc/14/62/43/569146243.db2.gz AKTPBSFLMVSNAN-AVRDEDQJSA-N 1 0 438.568 3.740 50 0 IHAARO CC[NH+](CC)CCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000089968991 569169213 /nfs/dbraw/zinc/16/92/13/569169213.db2.gz XHEVMDNFWJLFSK-UHFFFAOYSA-N 1 0 443.491 3.578 50 0 IHAARO COC(=O)C1=C(CN2CCC[C@@H](C(F)(F)F)C2)N(C2CC2)C(=O)N[C@H]1c1ccccc1 ZINC000252444134 569183811 /nfs/dbraw/zinc/18/38/11/569183811.db2.gz APGKZKXGMIMOIY-BEFAXECRSA-N 1 0 437.462 3.617 50 0 IHAARO CC(C)c1ccc(-c2nc(N3CC[NH+](C)CC3)nc3nn(Cc4ccccc4)c(N)c32)cc1 ZINC000037376686 569185615 /nfs/dbraw/zinc/18/56/15/569185615.db2.gz UXHZONKEBDFVMB-UHFFFAOYSA-N 1 0 441.583 3.999 50 0 IHAARO Cc1ccnc(C)c1C(=O)N1CCC([NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000252478947 569186216 /nfs/dbraw/zinc/18/62/16/569186216.db2.gz AXTWLXDSPCNKNR-UHFFFAOYSA-N 1 0 447.505 3.539 50 0 IHAARO COc1cccc([C@@H](CNC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)[NH+]2CCCC2)c1 ZINC000027340456 569190790 /nfs/dbraw/zinc/19/07/90/569190790.db2.gz JMOAXVCMFYAHIU-ZJSXRUAMSA-N 1 0 435.568 3.618 50 0 IHAARO O=C(Cc1ccc(N2CCCC2=O)cc1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000007815129 569204427 /nfs/dbraw/zinc/20/44/27/569204427.db2.gz WLOZTLXIQICISU-UHFFFAOYSA-N 1 0 425.960 3.790 50 0 IHAARO CC(C)CN1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)Nc4ccccc4F)CC3)C2)CC1 ZINC000581819753 569211526 /nfs/dbraw/zinc/21/15/26/569211526.db2.gz IGAOWZFHPYCIIC-HXUWFJFHSA-N 1 0 432.584 3.645 50 0 IHAARO CC(C)CN1CC[NH+]([C@H]2CCOC3(CCN(C(=O)c4cc5ccccc5[nH]4)CC3)C2)CC1 ZINC000581820162 569211753 /nfs/dbraw/zinc/21/17/53/569211753.db2.gz VVMRBGKMOKJNDY-QFIPXVFZSA-N 1 0 438.616 3.595 50 0 IHAARO Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000078998581 569321749 /nfs/dbraw/zinc/32/17/49/569321749.db2.gz UFKHFQCOAFQVFB-FQEVSTJZSA-N 1 0 441.428 3.892 50 0 IHAARO CCC(CC)[C@@H](CNC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000079060604 569323921 /nfs/dbraw/zinc/32/39/21/569323921.db2.gz QZAZJTXUMFDWLB-GOSISDBHSA-N 1 0 436.025 3.904 50 0 IHAARO CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CCN1CC[NH+](CC)CC1 ZINC000019902501 569331872 /nfs/dbraw/zinc/33/18/72/569331872.db2.gz FCZFMZIKTOFBMF-UHFFFAOYSA-N 1 0 429.586 3.866 50 0 IHAARO CC[NH+](CC)CCNC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1ccc(OC)cc1)S2 ZINC000020179607 569354777 /nfs/dbraw/zinc/35/47/77/569354777.db2.gz XSPQCPFZWCQLBF-JCMHNJIXSA-N 1 0 439.581 3.876 50 0 IHAARO CS[C@@H]1CN(C(=O)Nc2cccc(COCCOc3ccccc3)c2)C[C@@H]1[NH+](C)C ZINC000095996501 569378826 /nfs/dbraw/zinc/37/88/26/569378826.db2.gz CWXTUUJFTIGVFC-FCHUYYIVSA-N 1 0 429.586 3.792 50 0 IHAARO CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH2+][C@H](C)c1ccccc1 ZINC000057318531 569430927 /nfs/dbraw/zinc/43/09/27/569430927.db2.gz RZCOPSBXTHAIDJ-GOSISDBHSA-N 1 0 445.585 3.549 50 0 IHAARO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000057315509 569430987 /nfs/dbraw/zinc/43/09/87/569430987.db2.gz IHLDFZBSQCDGJH-GOSISDBHSA-N 1 0 431.558 3.518 50 0 IHAARO CCc1ccc([C@H]2NC(=O)N=C(C[NH+]3CCC(Cc4ccccc4)CC3)C2C(=O)OC)cc1 ZINC000057415155 569433995 /nfs/dbraw/zinc/43/39/95/569433995.db2.gz PQRSQJSSGCSWLR-RUZDIDTESA-N 1 0 447.579 3.985 50 0 IHAARO COc1ccc(CCNC(=O)c2ccccc2NC(=O)C[NH2+]Cc2ccc(F)cc2)cc1 ZINC000058449051 569454881 /nfs/dbraw/zinc/45/48/81/569454881.db2.gz WZMOEDXDQDBXMW-UHFFFAOYSA-N 1 0 435.499 3.535 50 0 IHAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)C1 ZINC000032269852 569461011 /nfs/dbraw/zinc/46/10/11/569461011.db2.gz PTGPDEBFANDCEU-MRXNPFEDSA-N 1 0 444.885 3.631 50 0 IHAARO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H]3CCC[N@@H+]3[C@@]23c2cc(C)cc(C)c2NC3=O)c1 ZINC000229657582 569461104 /nfs/dbraw/zinc/46/11/04/569461104.db2.gz LLXSEQNQXCDXQL-GIIVHJRKSA-N 1 0 435.524 3.591 50 0 IHAARO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(C)cc1 ZINC000008128380 569462240 /nfs/dbraw/zinc/46/22/40/569462240.db2.gz SUCWGUJNNSZYQC-GCJKJVERSA-N 1 0 429.586 3.847 50 0 IHAARO Cc1c(C)c2c(OCC(=O)NCC(C)(C)C[NH+](C)C)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000008765395 569474762 /nfs/dbraw/zinc/47/47/62/569474762.db2.gz UKTCQQWQTLOMPA-UHFFFAOYSA-N 1 0 444.572 3.596 50 0 biogenic IHAARO Cc1ccc(-c2c3c(cn2-c2ccc(C[NH+]4CCCCC4)cc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000008968874 569491843 /nfs/dbraw/zinc/49/18/43/569491843.db2.gz QEHMRKMCLLJMQD-UHFFFAOYSA-N 1 0 442.563 3.989 50 0 IHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1csc(NC(=O)c2ccccc2F)n1 ZINC000040355969 569499875 /nfs/dbraw/zinc/49/98/75/569499875.db2.gz YNZGXACQNFHHCU-UHFFFAOYSA-N 1 0 438.528 3.929 50 0 IHAARO CCOc1ccccc1/C=C/C(=O)NCC(=O)N1CCC([N@H+](C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000245276328 569501941 /nfs/dbraw/zinc/50/19/41/569501941.db2.gz SUUGECADHQEDGQ-NHXFIMEASA-N 1 0 441.616 3.716 50 0 IHAARO C[NH+]1CCN(c2ccccc2NC(=O)C(C)(C)Oc2ccc(Br)cc2)CC1 ZINC000009192650 569510748 /nfs/dbraw/zinc/51/07/48/569510748.db2.gz PYOLYMNILPNIHH-UHFFFAOYSA-N 1 0 432.362 3.997 50 0 IHAARO Cc1c(C(=O)NCC(F)(F)F)nnn1-c1cccc2c1CC[N@H+](Cc1cccc(F)c1)C2 ZINC000069656279 569511670 /nfs/dbraw/zinc/51/16/70/569511670.db2.gz WAVVXVSYYPEHOG-UHFFFAOYSA-N 1 0 447.436 3.565 50 0 IHAARO COc1ccc2c(c1)oc1c(c2=O)[C@H](c2ccc(Cl)cc2)N(CCC[NH+](C)C)C1=O ZINC000009253074 569516140 /nfs/dbraw/zinc/51/61/40/569516140.db2.gz JSVWKJXNDSPDLE-FQEVSTJZSA-N 1 0 426.900 3.952 50 0 IHAARO CC(C)[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc2c(c1)OCCCO2 ZINC000009253098 569516166 /nfs/dbraw/zinc/51/61/66/569516166.db2.gz CGVLKAWFMSBDET-DEOSSOPVSA-N 1 0 437.540 3.666 50 0 IHAARO Cc1c(C(=O)N(C)Cc2ccco2)nnn1-c1cccc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000069981778 569526872 /nfs/dbraw/zinc/52/68/72/569526872.db2.gz CYMJZFHJLGRMEE-UHFFFAOYSA-N 1 0 441.535 3.999 50 0 IHAARO Cc1c(C(=O)Nc2cccc(F)c2)nnn1-c1cccc2c1CC[N@H+](Cc1ccncc1)C2 ZINC000070011404 569528073 /nfs/dbraw/zinc/52/80/73/569528073.db2.gz UATWDHFDXDXVOU-UHFFFAOYSA-N 1 0 442.498 3.920 50 0 IHAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1nn(-c2ccccc2OC)c(=O)c2ccccc21 ZINC000009543662 569545988 /nfs/dbraw/zinc/54/59/88/569545988.db2.gz ZWHPBOGAXNSMFV-LJQANCHMSA-N 1 0 448.567 3.779 50 0 IHAARO COc1ccc([C@H](CNC(=O)C[C@@H]2Sc3ccccc3NC2=O)[NH+]2CCCCC2)cc1 ZINC000009593846 569550522 /nfs/dbraw/zinc/55/05/22/569550522.db2.gz DNTPXIOEQBRZRW-UNMCSNQZSA-N 1 0 439.581 3.842 50 0 IHAARO COc1cc2c(C(=O)NCCC[NH+]3CCCCCC3)cn(CC(C)C)c(=O)c2cc1OC ZINC000009673388 569558931 /nfs/dbraw/zinc/55/89/31/569558931.db2.gz HFEJHTUWYMLTAL-UHFFFAOYSA-N 1 0 443.588 3.671 50 0 IHAARO CC(C)[C@@H]([NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(F)cc1 ZINC000009836620 569570764 /nfs/dbraw/zinc/57/07/64/569570764.db2.gz XIARZUCAZPFYCP-HSZRJFAPSA-N 1 0 447.576 3.926 50 0 IHAARO CC[NH+](CC)CCNC(=O)/C(=C/c1cn(C)c2ccccc12)NC(=O)c1ccccc1F ZINC000009850490 569571397 /nfs/dbraw/zinc/57/13/97/569571397.db2.gz XZBMGTPZNZCPPI-JWGURIENSA-N 1 0 436.531 3.546 50 0 IHAARO CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2ccc(N3CC[NH+](CC)CC3)cc2)c1C ZINC000007328452 132280488 /nfs/dbraw/zinc/28/04/88/132280488.db2.gz LVRQEGWGZIUJAG-GOSISDBHSA-N 1 0 426.561 3.633 50 0 IHAARO Cn1nc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)c2c1-c1ccccc1SC2 ZINC000009252146 132311198 /nfs/dbraw/zinc/31/11/98/132311198.db2.gz NDGWXLIJVVPUFX-UHFFFAOYSA-N 1 0 447.608 3.635 50 0 IHAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(Br)cc2)CC1 ZINC000009907991 132331403 /nfs/dbraw/zinc/33/14/03/132331403.db2.gz LEIMRSBDIUOPJS-UHFFFAOYSA-N 1 0 446.345 3.630 50 0 IHAARO O=C(Nc1ccc(F)c(Cl)c1)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011697995 132339250 /nfs/dbraw/zinc/33/92/50/132339250.db2.gz SNFKVYZELVJAAP-UHFFFAOYSA-N 1 0 427.871 3.762 50 0 IHAARO CC(C)(C)C1CCC(OC[C@@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1 ZINC000022870685 518604865 /nfs/dbraw/zinc/60/48/65/518604865.db2.gz OHWUNHLRNJKUGO-ORFBVSJDSA-N 1 0 432.605 3.515 50 0 IHAARO CC(C)(C)c1ccc(OCCOC[C@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000022466174 519042381 /nfs/dbraw/zinc/04/23/81/519042381.db2.gz XPIDTUQNYCBJCL-XMMPIXPASA-N 1 0 426.601 3.558 50 0 IHAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3nn(C)c(=O)c4ccccc43)C2)cc1 ZINC000012458720 519435670 /nfs/dbraw/zinc/43/56/70/519435670.db2.gz UCHCSSUSKMASQA-OAQYLSRUSA-N 1 0 432.568 3.526 50 0 IHAARO CC(C)CC[NH+]1CCC([C@@]2(Cc3ccccc3)NC(=O)N(CCc3ccccn3)C2=O)CC1 ZINC000011913287 519653851 /nfs/dbraw/zinc/65/38/51/519653851.db2.gz FPEJKEYTIXLJNF-HHHXNRCGSA-N 1 0 448.611 3.916 50 0 IHAARO CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012734548 519799533 /nfs/dbraw/zinc/79/95/33/519799533.db2.gz YQBRHXLPKRPNGB-OAQYLSRUSA-N 1 0 445.629 3.568 50 0 IHAARO CCOC(=O)C1=C(C[NH2+]CCc2ccc(Cl)cc2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000012412549 520516725 /nfs/dbraw/zinc/51/67/25/520516725.db2.gz WECNHEGSUFIKIV-HXUWFJFHSA-N 1 0 448.350 3.997 50 0 IHAARO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000024759134 520699150 /nfs/dbraw/zinc/69/91/50/520699150.db2.gz WTIRONXBGXKGGX-UHFFFAOYSA-N 1 0 426.485 3.656 50 0 IHAARO CC1CC[NH+](Cc2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)c[nH]3)cc2)CC1 ZINC000020532667 521025971 /nfs/dbraw/zinc/02/59/71/521025971.db2.gz HFTMCDLZLNQROV-UHFFFAOYSA-N 1 0 444.601 3.674 50 0 IHAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)CSc1ccncc1 ZINC000012308886 521264388 /nfs/dbraw/zinc/26/43/88/521264388.db2.gz YXRCXCFCBOKRMO-NRFANRHFSA-N 1 0 427.614 3.986 50 0 IHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(I)c3)cc2)CC1 ZINC000001109727 521699095 /nfs/dbraw/zinc/69/90/95/521699095.db2.gz HDBMDKHXDBOGJU-UHFFFAOYSA-N 1 0 435.309 3.685 50 0 IHAARO COC(=O)c1ccc(-c2cc(Cl)cc3c2O[C@@H](CNC(=O)[C@@H]2CCC[N@H+](C)C2)C3)cc1 ZINC000014990495 521924879 /nfs/dbraw/zinc/92/48/79/521924879.db2.gz PICGRHHWTZQRLR-YLJYHZDGSA-N 1 0 442.943 3.555 50 0 IHAARO COC(=O)c1ccccc1NC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccc(OC)cc2)C1 ZINC000012298005 522277410 /nfs/dbraw/zinc/27/74/10/522277410.db2.gz VBCZCZGXELLFNP-FQEVSTJZSA-N 1 0 439.556 3.900 50 0 IHAARO COc1cc(C[NH+]2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)cc(OC)c1 ZINC000012836452 522370274 /nfs/dbraw/zinc/37/02/74/522370274.db2.gz DTCBPVUTUSTIRQ-UHFFFAOYSA-N 1 0 434.540 3.919 50 0 IHAARO C[N@H+](CCCNC(=O)C1CCN(c2ccc(-c3ccccc3)nn2)CC1)Cc1ccccc1 ZINC000035398338 522756495 /nfs/dbraw/zinc/75/64/95/522756495.db2.gz PVNRNDBMNMRNEK-UHFFFAOYSA-N 1 0 443.595 3.998 50 0 IHAARO COc1ccc(-c2nc(CC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cs2)cc1OC ZINC000012296988 523196843 /nfs/dbraw/zinc/19/68/43/523196843.db2.gz CIGXKYOEWKEYLD-PKOBYXMFSA-N 1 0 429.586 3.751 50 0 biogenic IHAARO COc1ccc(-n2cc(C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)c3ccccc3c2=O)cc1 ZINC000020508935 523325796 /nfs/dbraw/zinc/32/57/96/523325796.db2.gz SVNDLGDWQMMFGG-IBGZPJMESA-N 1 0 433.552 3.851 50 0 IHAARO C[NH+]1CCN([C@@H](CNC(=O)COc2ccc(Cl)cc2Cl)c2ccsc2)CC1 ZINC000022765634 523917632 /nfs/dbraw/zinc/91/76/32/523917632.db2.gz ZEEXYSHFHQHWCP-KRWDZBQOSA-N 1 0 428.385 3.539 50 0 IHAARO CCc1ccc(C[NH+]2CCC([C@]3(C)NC(=O)N(C4Cc5ccccc5C4)C3=O)CC2)cc1 ZINC000012099032 523924215 /nfs/dbraw/zinc/92/42/15/523924215.db2.gz SCYRNKUOGTYDGJ-MHZLTWQESA-N 1 0 431.580 3.939 50 0 IHAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](Cc2ccc(SC)cc2)CC1 ZINC000012755798 523926116 /nfs/dbraw/zinc/92/61/16/523926116.db2.gz MVTIDQPBKRSINW-UHFFFAOYSA-N 1 0 444.597 3.837 50 0 IHAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(C(=O)c3cc(CC(C)C)on3)C2)cc1OC ZINC000012752463 523940015 /nfs/dbraw/zinc/94/00/15/523940015.db2.gz ZXYNHYJNTHAPNY-IBGZPJMESA-N 1 0 429.561 3.669 50 0 IHAARO COc1ccc(C[NH+]2CCC(CO)(CCCc3ccccc3)CC2)cc1Cn1cncn1 ZINC000012597382 524024846 /nfs/dbraw/zinc/02/48/46/524024846.db2.gz GZLUQNQEKDNYRJ-UHFFFAOYSA-N 1 0 434.584 3.932 50 0 IHAARO C[NH+](C)CCN(C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1nc2ccc(Cl)cc2s1 ZINC000022664362 524058714 /nfs/dbraw/zinc/05/87/14/524058714.db2.gz XRVUTNJUHDWMOG-OAHLLOKOSA-N 1 0 442.972 3.897 50 0 IHAARO Cc1cccc(N2CC[N@@H+](CCCNC(=O)c3noc4c3COc3ccccc3-4)C[C@H]2C)c1 ZINC000020484811 524555813 /nfs/dbraw/zinc/55/58/13/524555813.db2.gz AVXMNBCSURDARW-LJQANCHMSA-N 1 0 446.551 3.873 50 0 IHAARO COc1ccc(NC(=O)NCCC[NH+]2CCN(c3cc(C)ccc3C)CC2)cc1OC ZINC000021174723 524562096 /nfs/dbraw/zinc/56/20/96/524562096.db2.gz AALHBIZUFGQHCH-UHFFFAOYSA-N 1 0 426.561 3.654 50 0 IHAARO Cc1cc(C)nc(CCNC(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)n1 ZINC000012440155 524577211 /nfs/dbraw/zinc/57/72/11/524577211.db2.gz JOHGMVVQRZXPLV-UHFFFAOYSA-N 1 0 445.567 3.504 50 0 IHAARO Cc1ccccc1C[N@@H+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)C[C@@H]1CCO ZINC000020454367 525143313 /nfs/dbraw/zinc/14/33/13/525143313.db2.gz FKEDFIVKXZFWFZ-NRFANRHFSA-N 1 0 426.948 3.767 50 0 IHAARO COc1ccc([C@@H](C[NH2+]CC(=O)Nc2ccccc2-c2ccccc2)N2CCOCC2)cc1 ZINC000022038437 525188020 /nfs/dbraw/zinc/18/80/20/525188020.db2.gz GSBINIZEDSGDPP-AREMUKBSSA-N 1 0 445.563 3.964 50 0 IHAARO C[C@H]([NH2+]CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccc(-c2ccccc2)cc1 ZINC000012895723 525307601 /nfs/dbraw/zinc/30/76/01/525307601.db2.gz WNWKMQUQGCAIQA-SGKRCEGKSA-N 1 0 434.540 3.536 50 0 IHAARO COc1ccc([C@H](CNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)[NH+]2CCCC2)cc1 ZINC000022505298 525358457 /nfs/dbraw/zinc/35/84/57/525358457.db2.gz PATIKANYTSWRAU-QFIPXVFZSA-N 1 0 435.572 3.976 50 0 IHAARO C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(S(C)(=O)=O)cc1 ZINC000057383151 525412541 /nfs/dbraw/zinc/41/25/41/525412541.db2.gz IRXNRVONMTYWJZ-MRXNPFEDSA-N 1 0 444.553 3.811 50 0 IHAARO C[C@@]1(C(=O)NC2CCCCCC2)Cn2c(cc3ccccc32)C(=O)N1CC[NH+]1CCCC1 ZINC000021858107 525793990 /nfs/dbraw/zinc/79/39/90/525793990.db2.gz WPNWPTDGNFDTFC-SANMLTNESA-N 1 0 436.600 3.791 50 0 IHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(c2ncc(-c3ccc(F)cc3)cn2)CC1 ZINC000035455272 526246281 /nfs/dbraw/zinc/24/62/81/526246281.db2.gz UTHVZSJCCFPPJR-IBGZPJMESA-N 1 0 439.579 3.880 50 0 IHAARO O=C([C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000035398664 526539564 /nfs/dbraw/zinc/53/95/64/526539564.db2.gz LVHAQLFKNLYQSC-QFIPXVFZSA-N 1 0 433.600 3.837 50 0 IHAARO O=C(NCc1ccccc1)[C@H]1Cc2ccccc2N2CC[N@H+](CCc3ccccc3)C[C@@H]12 ZINC000035870023 526737609 /nfs/dbraw/zinc/73/76/09/526737609.db2.gz JFFQKHVYNGGCSQ-BDYUSTAISA-N 1 0 425.576 3.909 50 0 IHAARO Cc1oc(-c2ccccc2F)nc1C[S@](=O)CC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000021367982 526742427 /nfs/dbraw/zinc/74/24/27/526742427.db2.gz DZLBCKZQEUSZIH-WORKWWTESA-N 1 0 449.592 3.522 50 0 IHAARO Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000012528656 527099785 /nfs/dbraw/zinc/09/97/85/527099785.db2.gz VKMJOMMWQFYDLV-UHFFFAOYSA-N 1 0 434.588 3.952 50 0 IHAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cc(Br)ccc2OCc2ccccn2)N1 ZINC000012520470 527138449 /nfs/dbraw/zinc/13/84/49/527138449.db2.gz YOWHELYWFZNZRH-LJQANCHMSA-N 1 0 449.312 3.869 50 0 IHAARO O=C(NC1CCCC1)c1ccc(N2CCC([NH2+]C[C@H]3COc4ccccc4O3)CC2)cc1 ZINC000012452462 527511488 /nfs/dbraw/zinc/51/14/88/527511488.db2.gz IUZAMOPHBFRFIH-QHCPKHFHSA-N 1 0 435.568 3.757 50 0 IHAARO NC(=O)C1([NH+]2CCCCC2)CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1 ZINC000004489132 555997247 /nfs/dbraw/zinc/99/72/47/555997247.db2.gz IDFABWNHHWWLSC-UHFFFAOYSA-N 1 0 449.418 3.883 50 0 IHAARO Cc1ccc2[nH]cc(CC[NH2+][C@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)c2c1 ZINC000008770353 556213347 /nfs/dbraw/zinc/21/33/47/556213347.db2.gz AQDDUKJWFBQPCA-IBGZPJMESA-N 1 0 426.314 3.703 50 0 IHAARO CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032761180 556331507 /nfs/dbraw/zinc/33/15/07/556331507.db2.gz XRHLUPSXIAEYEM-YLJYHZDGSA-N 1 0 435.540 3.734 50 0 IHAARO Cc1nnc(SCC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)n1Cc1ccccc1 ZINC000032761625 556331516 /nfs/dbraw/zinc/33/15/16/556331516.db2.gz DNLKELHECBNPIC-LJQANCHMSA-N 1 0 441.626 3.742 50 0 IHAARO O=C(CC[C@@H]1CCC[N@H+](Cc2cnc(N3CCOCC3)s2)C1)Nc1ccccc1F ZINC000011813384 556356890 /nfs/dbraw/zinc/35/68/90/556356890.db2.gz FVGCWRDIYGIUMS-KRWDZBQOSA-N 1 0 432.565 3.750 50 0 IHAARO O=C(CC[C@H]1CCC[N@H+](Cc2cnc(N3CCOCC3)s2)C1)Nc1ccccc1F ZINC000011813386 556356916 /nfs/dbraw/zinc/35/69/16/556356916.db2.gz FVGCWRDIYGIUMS-QGZVFWFLSA-N 1 0 432.565 3.750 50 0 IHAARO CCOC(=O)N1CCC(NC(=O)[C@@H]2CC23CC[NH+](C/C(C)=C/c2ccco2)CC3)CC1 ZINC000011840071 556364819 /nfs/dbraw/zinc/36/48/19/556364819.db2.gz IQNXQGDRUYBJKD-RHYRFBSLSA-N 1 0 429.561 3.522 50 0 IHAARO CCOc1ccccc1C[NH+]1CCC2(CC[C@H](CNC(=O)c3csc(C)n3)O2)CC1 ZINC000012042211 556391446 /nfs/dbraw/zinc/39/14/46/556391446.db2.gz RFPANEUOIFKVLZ-LJQANCHMSA-N 1 0 429.586 3.794 50 0 IHAARO O=C(CC[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)N1CCN(c2ccccn2)CC1 ZINC000012054915 556393891 /nfs/dbraw/zinc/39/38/91/556393891.db2.gz WHFRBDIHZRVKJC-LJQANCHMSA-N 1 0 428.527 3.701 50 0 IHAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(C(=O)c3csc(C(C)=O)c3)C2)cc1OC ZINC000012057174 556394514 /nfs/dbraw/zinc/39/45/14/556394514.db2.gz ULVXRMJLXKLAQP-IBGZPJMESA-N 1 0 430.570 3.747 50 0 IHAARO CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1cc3ccccc3[nH]1)CC2 ZINC000014543390 556426556 /nfs/dbraw/zinc/42/65/56/556426556.db2.gz UMYLRAGVAZXJNA-UHFFFAOYSA-N 1 0 445.567 3.814 50 0 IHAARO COc1ccccc1C[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CCc1ccccc1)C(=O)N2C ZINC000014743467 556439726 /nfs/dbraw/zinc/43/97/26/556439726.db2.gz IYXZZHQRBUXBDN-FQEVSTJZSA-N 1 0 435.568 3.598 50 0 IHAARO CSC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CCCc1ccncc1)C(=O)N2CCC(C)C ZINC000014744761 556440398 /nfs/dbraw/zinc/44/03/98/556440398.db2.gz KAUSXTLTHPNAPY-HXUWFJFHSA-N 1 0 446.661 3.911 50 0 IHAARO COC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2CCc1ccccc1 ZINC000014746397 556441171 /nfs/dbraw/zinc/44/11/71/556441171.db2.gz LXCJTLBVFSXFPN-NRFANRHFSA-N 1 0 435.568 3.563 50 0 IHAARO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC000013075558 556455696 /nfs/dbraw/zinc/45/56/96/556455696.db2.gz XOQZNRAZYVSIBV-KRWDZBQOSA-N 1 0 433.549 3.598 50 0 IHAARO COc1cccc(C[C@@]2(C3CC[NH+](Cc4cc(C)c(C)cc4C)CC3)NC(=O)N(C)C2=O)c1 ZINC000014889579 556456136 /nfs/dbraw/zinc/45/61/36/556456136.db2.gz PDEVUFQDERKBPW-MHZLTWQESA-N 1 0 449.595 3.996 50 0 IHAARO COc1ccc(-n2cc(C[NH2+]CCSc3nncn3C)c(-c3cccc(F)c3)n2)cc1 ZINC000014975234 556468021 /nfs/dbraw/zinc/46/80/21/556468021.db2.gz YVHJCINWCXSLFJ-UHFFFAOYSA-N 1 0 438.532 3.697 50 0 IHAARO CC(C)c1ccc(C[N@H+]2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)cc1 ZINC000014987563 556473389 /nfs/dbraw/zinc/47/33/89/556473389.db2.gz SGVNJYODFXELDR-UHFFFAOYSA-N 1 0 449.574 3.500 50 0 IHAARO CC(C)(CO)C[NH2+][C@H]1CCc2c(sc3ncn(CCCc4ccccc4)c(=O)c23)C1 ZINC000014994620 556477128 /nfs/dbraw/zinc/47/71/28/556477128.db2.gz BYBYZVAVVMFZQD-SFHVURJKSA-N 1 0 425.598 3.556 50 0 IHAARO O=c1c2c(ncn1Cc1ccncc1)sc1c2CC[C@@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC000015006525 556481889 /nfs/dbraw/zinc/48/18/89/556481889.db2.gz LWSSVJDPPXXRRW-QGZVFWFLSA-N 1 0 438.503 3.827 50 0 IHAARO COc1ccc(C(=O)N2CCC(CCC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000015064087 556491430 /nfs/dbraw/zinc/49/14/30/556491430.db2.gz QNMPHHBSSRJELL-XMMPIXPASA-N 1 0 449.595 3.718 50 0 IHAARO COc1ccc2cc(-c3n[nH]cc3CN3CCC([N@@H+]4CCC[C@@H](CO)C4)CC3)ccc2c1 ZINC000015069786 556495108 /nfs/dbraw/zinc/49/51/08/556495108.db2.gz OVPWWGRRATUIHG-LJQANCHMSA-N 1 0 434.584 3.907 50 0 IHAARO COc1ccc(CCc2nnc(CCC(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)o2)cc1 ZINC000015070765 556495776 /nfs/dbraw/zinc/49/57/76/556495776.db2.gz URBJKBFUIDOMTJ-JOCHJYFZSA-N 1 0 448.567 3.577 50 0 IHAARO CCN1C[C@H](C[NH2+]C2CCN(c3cccc(NC(=O)CC4CCCC4)c3)CC2)CC1=O ZINC000015071351 556496172 /nfs/dbraw/zinc/49/61/72/556496172.db2.gz LFNFGSRZDNBRDV-FQEVSTJZSA-N 1 0 426.605 3.632 50 0 IHAARO CCc1nc(C)c(C[N@@H+]2CCC[C@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)[nH]1 ZINC000015076463 556499155 /nfs/dbraw/zinc/49/91/55/556499155.db2.gz GOYZXDDOWMFECU-GOSISDBHSA-N 1 0 428.577 3.606 50 0 IHAARO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@H+](Cc2cccn2-c2ncccn2)C1 ZINC000015075837 556499189 /nfs/dbraw/zinc/49/91/89/556499189.db2.gz XPKNPRCXNJQSQP-RUZDIDTESA-N 1 0 434.540 3.882 50 0 IHAARO CCOC(=O)c1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000015318913 556519935 /nfs/dbraw/zinc/51/99/35/556519935.db2.gz QOIYETZYJBJHNJ-SFHVURJKSA-N 1 0 435.307 3.634 50 0 IHAARO c1c(COc2ccc(C[NH2+]C[C@@H]3CN(Cc4ccccc4)CCO3)cc2)nc2ccccn12 ZINC000015568508 556535359 /nfs/dbraw/zinc/53/53/59/556535359.db2.gz WCCOBVGMMUXEBI-AREMUKBSSA-N 1 0 442.563 3.904 50 0 IHAARO CCOc1ccc(N2C[C@@H](C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)CC2=O)cc1 ZINC000015614169 556538305 /nfs/dbraw/zinc/53/83/05/556538305.db2.gz FIPIXHLHJSDSRO-QFIPXVFZSA-N 1 0 435.568 3.741 50 0 IHAARO CC(C)[C@@H](CNc1nc(CN2CCOCC2)nc2sc3c(c21)CC[C@H](C)C3)[NH+](C)C ZINC000032902995 556541929 /nfs/dbraw/zinc/54/19/29/556541929.db2.gz XKTAKTCJWOTUKI-FUHWJXTLSA-N 1 0 431.650 3.646 50 0 IHAARO COc1ccc(CC[NH2+]Cc2ccc(Oc3nnnn3-c3ccccc3)cc2)cc1OC ZINC000032616953 556542600 /nfs/dbraw/zinc/54/26/00/556542600.db2.gz BZPYSUFUJYYTBK-UHFFFAOYSA-N 1 0 431.496 3.804 50 0 IHAARO CCC[NH+]1CCN([C@@H](C)CCCN(C(=O)[C@H]2CCCN(c3nccs3)C2)C2CC2)CC1 ZINC000072305493 556552904 /nfs/dbraw/zinc/55/29/04/556552904.db2.gz NOJYUJDIGHHQLA-SFTDATJTSA-N 1 0 447.693 3.547 50 0 IHAARO CC[NH+](CC)[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)C1 ZINC000072305246 556553351 /nfs/dbraw/zinc/55/33/51/556553351.db2.gz OKHZJUBWCHQKPM-RXVVDRJESA-N 1 0 438.572 3.691 50 0 IHAARO CCC[NH+]1CCN(CCCNC(=O)c2ccc3nc(N4CCC(C)CC4)sc3c2)CC1 ZINC000020415011 556556320 /nfs/dbraw/zinc/55/63/20/556556320.db2.gz QCCKAZVYROSQOD-UHFFFAOYSA-N 1 0 443.661 3.680 50 0 IHAARO CC(=O)NCCCCCC(=O)O[C@H]1CCC[C@@H]1[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000072310694 556576684 /nfs/dbraw/zinc/57/66/84/556576684.db2.gz ANRZWFBCFHVQGE-VXKWHMMOSA-N 1 0 435.996 3.623 50 0 IHAARO Cc1nn(-c2ccc(F)cc2)c(N2CC[NH+](C)CC2)c1CN(Cc1cccn1C)C1CC1 ZINC000034836474 556583060 /nfs/dbraw/zinc/58/30/60/556583060.db2.gz XMIXSWVSJYWJDA-UHFFFAOYSA-N 1 0 436.579 3.575 50 0 IHAARO CC1CC[NH+]([C@H](CNC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)c2cccs2)CC1 ZINC000032983108 556601624 /nfs/dbraw/zinc/60/16/24/556601624.db2.gz QGJGWMBKOWUFSR-HXUWFJFHSA-N 1 0 436.581 3.607 50 0 IHAARO Cc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000016374507 556603605 /nfs/dbraw/zinc/60/36/05/556603605.db2.gz DBVNFZHYENEDFS-LJQANCHMSA-N 1 0 429.586 3.629 50 0 IHAARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000033711921 556624001 /nfs/dbraw/zinc/62/40/01/556624001.db2.gz LKCKDRMAWUHSIF-IQXSCUCBSA-N 1 0 437.499 3.579 50 0 IHAARO COc1cccc(CN2CC[N@H+](Cc3c(C)cc(C)cc3-n3cccn3)C[C@H]2CCO)c1 ZINC000039445563 556628856 /nfs/dbraw/zinc/62/88/56/556628856.db2.gz JJNQQYAZUQNRQG-HSZRJFAPSA-N 1 0 434.584 3.567 50 0 IHAARO CCOc1ccc2nc(N3CCC(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)CC3)sc2c1 ZINC000005086224 556631999 /nfs/dbraw/zinc/63/19/99/556631999.db2.gz DQQNNTOKXZNHLR-KRWDZBQOSA-N 1 0 430.618 3.902 50 0 IHAARO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)c1cc(=O)n2c3ccccc3nc2s1 ZINC000033008884 556656232 /nfs/dbraw/zinc/65/62/32/556656232.db2.gz FQPWOJFLGYFEBZ-UHFFFAOYSA-N 1 0 446.576 3.594 50 0 IHAARO Cc1cc2nc3sc(C(=O)NCCC[N@@H+](C)C4CCCCC4)cc(=O)n3c2cc1C ZINC000033009111 556656293 /nfs/dbraw/zinc/65/62/93/556656293.db2.gz GAJOEYGPDFNTIE-UHFFFAOYSA-N 1 0 426.586 3.910 50 0 IHAARO Cc1c2ccc(OCC[NH+]3CCC(C(N)=O)CC3)cc2oc(=O)c1-c1ccc(Cl)cc1 ZINC000011866404 556666436 /nfs/dbraw/zinc/66/64/36/556666436.db2.gz RSBQNIISFAWFSV-UHFFFAOYSA-N 1 0 440.927 3.998 50 0 IHAARO CCCc1nnc(C(=O)Nc2cccc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)c2)s1 ZINC000033022774 556687933 /nfs/dbraw/zinc/68/79/33/556687933.db2.gz LPTMDTFZIZUNCV-MRXNPFEDSA-N 1 0 429.590 3.737 50 0 IHAARO COc1ccc2cc(CNC(=O)NCc3ccc(CN4CC[NH+](C)CC4)cc3)ccc2c1 ZINC000032937684 556690100 /nfs/dbraw/zinc/69/01/00/556690100.db2.gz BBWVLLFSKYVYMN-UHFFFAOYSA-N 1 0 432.568 3.595 50 0 IHAARO O=C(Nc1cccc(C(=O)NCCC[NH+]2CCCCCC2)c1)c1nnc(C2CC2)s1 ZINC000033023040 556691131 /nfs/dbraw/zinc/69/11/31/556691131.db2.gz SPUMZMSOAPJRBR-UHFFFAOYSA-N 1 0 427.574 3.664 50 0 IHAARO COc1ccccc1C[NH+]1CCC(C(=O)N(C)CCc2ccc(OC)c(OC)c2)CC1 ZINC000004603164 556701417 /nfs/dbraw/zinc/70/14/17/556701417.db2.gz ZSZNNUPMKYQVCD-UHFFFAOYSA-N 1 0 426.557 3.626 50 0 IHAARO Cc1cc(C)c(CN2CCC([NH+]3CCC(C(=O)NC[C@@H]4CCCO4)CC3)CC2)cc1C ZINC000055107769 556735027 /nfs/dbraw/zinc/73/50/27/556735027.db2.gz VFYPJBSMZCXCAL-VWLOTQADSA-N 1 0 427.633 3.583 50 0 IHAARO CN(C)CC[NH2+]C[C@@H](O)CN1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@@H]1CCC3 ZINC000019367692 556746434 /nfs/dbraw/zinc/74/64/34/556746434.db2.gz HJMXAOVPXYXKMS-GJZUVCINSA-N 1 0 438.660 3.894 50 0 IHAARO O=C(CNC(=O)c1ccccc1F)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000058176732 556769645 /nfs/dbraw/zinc/76/96/45/556769645.db2.gz VTRLABFOQZZKBQ-UHFFFAOYSA-N 1 0 446.526 3.516 50 0 IHAARO Cc1ccc(-n2cnnc2SCC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C ZINC000058196845 556770787 /nfs/dbraw/zinc/77/07/87/556770787.db2.gz BWUUPWICYFJYOE-IAGOWNOFSA-N 1 0 429.634 3.849 50 0 IHAARO O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCCC1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000058433994 556788245 /nfs/dbraw/zinc/78/82/45/556788245.db2.gz XLHGSNHCQYZHSA-GCJKJVERSA-N 1 0 446.567 3.967 50 0 IHAARO Cc1cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nc(N2CCCCC2)[nH+]1 ZINC000064799784 556827032 /nfs/dbraw/zinc/82/70/32/556827032.db2.gz SIIXVPOUEYMSRK-UHFFFAOYSA-N 1 0 433.478 3.757 50 0 IHAARO COc1ccc(C[N@@H+]2CCN(Cc3ccc(-n4cccn4)cc3)C[C@@H]2CCO)c(C)c1C ZINC000019595402 556830532 /nfs/dbraw/zinc/83/05/32/556830532.db2.gz CYZCJWDBGBNXRX-VWLOTQADSA-N 1 0 434.584 3.567 50 0 IHAARO Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2cc(C)[nH+]c(N3CCCC3)n2)CC1 ZINC000065362818 556834569 /nfs/dbraw/zinc/83/45/69/556834569.db2.gz QSTOVOAUJVPNFS-UHFFFAOYSA-N 1 0 448.596 3.780 50 0 IHAARO COc1ccc(Cl)cc1NC(=O)N1CCN(c2nc(N3CCCCC3)cc(C)[nH+]2)CC1 ZINC000067629781 556844974 /nfs/dbraw/zinc/84/49/74/556844974.db2.gz UBWNBVKBZNHJJD-UHFFFAOYSA-N 1 0 444.967 3.791 50 0 IHAARO COc1ccc(CN2CC[N@H+](Cc3ccc(-n4cccn4)cc3C)C[C@@H]2CCO)cc1C ZINC000019740044 556879276 /nfs/dbraw/zinc/87/92/76/556879276.db2.gz XSVALJPJSPFBEF-VWLOTQADSA-N 1 0 434.584 3.567 50 0 IHAARO Cc1ccc(Sc2nccnc2N2CCC[C@H](C(=O)NCCC[NH+]3CCCC3)C2)cc1 ZINC000033168745 556880837 /nfs/dbraw/zinc/88/08/37/556880837.db2.gz PMXOUZLZYVHMKU-FQEVSTJZSA-N 1 0 439.629 3.755 50 0 IHAARO O=c1c2c(ncn1CCc1ccccn1)sc1c2CC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000019741313 556883396 /nfs/dbraw/zinc/88/33/96/556883396.db2.gz KVFRVXZUBRIYAI-IBGZPJMESA-N 1 0 434.540 3.882 50 0 IHAARO CCOC(=O)c1c(C)oc2nc(C)nc(NCCCN3CCC([NH+]4CCCCC4)CC3)c21 ZINC000033250199 556891320 /nfs/dbraw/zinc/89/13/20/556891320.db2.gz UMWPKDZPXLHXMY-UHFFFAOYSA-N 1 0 443.592 3.769 50 0 IHAARO COc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3cc(C)ccc3-n3cccn3)C2)CC1 ZINC000020166206 556993727 /nfs/dbraw/zinc/99/37/27/556993727.db2.gz ZBLJLRHSTUASQT-DEOSSOPVSA-N 1 0 445.611 3.976 50 0 IHAARO Cc1ccc(-c2csc3ncn(CC(=O)NC4CC(C)(C)[NH2+]C(C)(C)C4)c(=O)c23)cc1 ZINC000010814121 557029906 /nfs/dbraw/zinc/02/99/06/557029906.db2.gz BGFWXDHTBNSFHP-UHFFFAOYSA-N 1 0 438.597 3.859 50 0 IHAARO CCCCOc1ccc(C(=O)N2CCN(c3nc(N4CCCCC4)cc(C)[nH+]3)CC2)cc1 ZINC000017270645 557048544 /nfs/dbraw/zinc/04/85/44/557048544.db2.gz MGWJGKRELIWKBC-UHFFFAOYSA-N 1 0 437.588 3.917 50 0 IHAARO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000048249479 557048614 /nfs/dbraw/zinc/04/86/14/557048614.db2.gz MEMQQBUOSZAGAU-CYFREDJKSA-N 1 0 442.003 3.883 50 0 IHAARO COc1cc(CNC[C@H](O)C[NH+]2CCCC2)ccc1OCc1ccc(Br)cc1 ZINC000048314617 557064716 /nfs/dbraw/zinc/06/47/16/557064716.db2.gz FUMQTOHXAHTTQX-FQEVSTJZSA-N 1 0 449.389 3.583 50 0 IHAARO O=C(C[NH+]1CCC(CCc2ccc(O)cc2)CC1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000048314099 557067602 /nfs/dbraw/zinc/06/76/02/557067602.db2.gz LCVMHGYQJRKQIT-UHFFFAOYSA-N 1 0 449.595 3.914 50 0 IHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000023175168 557070859 /nfs/dbraw/zinc/07/08/59/557070859.db2.gz AKJJRBWCDJGCJC-SPHKWJJASA-N 1 0 449.639 3.975 50 0 IHAARO CCCn1cc(C[NH+]2CCC(Oc3cc(OC)ccc3C(=O)N3CCCC3)CC2)c(C)n1 ZINC000023192549 557072317 /nfs/dbraw/zinc/07/23/17/557072317.db2.gz BZKZYKSXEJYMDQ-UHFFFAOYSA-N 1 0 440.588 3.890 50 0 IHAARO COc1cc(C[NH+]2CCC(O)(c3ccc(Br)cc3)CC2)cc(OC)c1OC ZINC000023282541 557082135 /nfs/dbraw/zinc/08/21/35/557082135.db2.gz PSWLLDJPTADMIJ-UHFFFAOYSA-N 1 0 436.346 3.959 50 0 IHAARO COc1ccc(C(=O)N(CCO)Cc2ccccc2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000023340529 557086098 /nfs/dbraw/zinc/08/60/98/557086098.db2.gz JJLJCRIYVCHZFG-UHFFFAOYSA-N 1 0 426.557 3.582 50 0 IHAARO Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NC[C@@H](C)[NH+]3CCC(C)CC3)c2)c1 ZINC000060156562 557091911 /nfs/dbraw/zinc/09/19/11/557091911.db2.gz BSMWRQOIBUXZLF-HXUWFJFHSA-N 1 0 443.613 3.954 50 0 IHAARO Cc1nc2scc(-c3cccs3)c2c(NC[C@@H]([C@@H]2CCOC2)[NH+]2CCOCC2)n1 ZINC000024204143 557140836 /nfs/dbraw/zinc/14/08/36/557140836.db2.gz YCCYODKOGVYWTI-WBVHZDCISA-N 1 0 430.599 3.877 50 0 IHAARO COc1ccc([C@@H](C[NH2+]Cc2ccc(OC)c(Br)c2)N2CCOCC2)cc1 ZINC000025261992 557201524 /nfs/dbraw/zinc/20/15/24/557201524.db2.gz ONZBHKIURXIXTC-HXUWFJFHSA-N 1 0 435.362 3.629 50 0 IHAARO C[C@H](CNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc21)N1CC[NH+](C)CC1 ZINC000072238679 557204559 /nfs/dbraw/zinc/20/45/59/557204559.db2.gz AGLXLXLVOJAHKA-GOSISDBHSA-N 1 0 428.540 4.000 50 0 IHAARO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000011603835 557208102 /nfs/dbraw/zinc/20/81/02/557208102.db2.gz ISIJHDCMJBJFQX-QHCPKHFHSA-N 1 0 433.531 3.990 50 0 IHAARO O=C1C[C@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccccc1 ZINC000100051417 557238910 /nfs/dbraw/zinc/23/89/10/557238910.db2.gz PFVVQRKIVRDCSS-DEOSSOPVSA-N 1 0 425.532 3.726 50 0 IHAARO CCCCc1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)Nc4ccccc4O)CC3)C2=O)cc1 ZINC000101490838 557288219 /nfs/dbraw/zinc/28/82/19/557288219.db2.gz AESDPFVTUWSBQP-JOCHJYFZSA-N 1 0 449.551 3.717 50 0 IHAARO CC[NH+](CC)[C@@H](CNC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)c1cccc(OC)c1 ZINC000032902750 557317117 /nfs/dbraw/zinc/31/71/17/557317117.db2.gz ZGRJLPAKSONVKV-IWGBCORSSA-N 1 0 442.556 3.934 50 0 IHAARO Cc1nc2ccccc2n(Cc2ccc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)cc2)c1=O ZINC000033005895 557322217 /nfs/dbraw/zinc/32/22/17/557322217.db2.gz WKOPXZHZIJYQPQ-IBGZPJMESA-N 1 0 432.568 3.748 50 0 IHAARO O=C(NCCC[N@@H+]1CCCN(c2ccccc2)CC1)c1nc(-c2c[nH]c3ccccc23)no1 ZINC000085824771 557439864 /nfs/dbraw/zinc/43/98/64/557439864.db2.gz HOUXABHUVWRFKJ-UHFFFAOYSA-N 1 0 444.539 3.550 50 0 IHAARO O=C(NC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000104916352 557464987 /nfs/dbraw/zinc/46/49/87/557464987.db2.gz CQGUBYASTKGIBU-IFMALSPDSA-N 1 0 429.486 3.847 50 0 IHAARO Cc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@H](C)O)CC2CC2)c1 ZINC000105004578 557471388 /nfs/dbraw/zinc/47/13/88/557471388.db2.gz XLQGADHTANDDRT-AVRDEDQJSA-N 1 0 428.598 3.654 50 0 IHAARO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1 ZINC000106913914 557533446 /nfs/dbraw/zinc/53/34/46/557533446.db2.gz FMCKSYYAAFCCQH-QRVBRYPASA-N 1 0 429.605 3.531 50 0 IHAARO C[C@@H]1C[NH+](CCc2cccc(NC(=O)[C@H](c3ccccc3F)N3CCOCC3)c2)C[C@H]1C ZINC000108169087 557541588 /nfs/dbraw/zinc/54/15/88/557541588.db2.gz OQEVALRCYGSVKT-FHAGJXEFSA-N 1 0 439.575 3.968 50 0 IHAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)c1csc(NC(=O)c2ccccc2C(F)(F)F)n1 ZINC000040355941 557713672 /nfs/dbraw/zinc/71/36/72/557713672.db2.gz IHFXEAWEIYDXOI-GFCCVEGCSA-N 1 0 426.464 3.628 50 0 IHAARO C[NH+](C)CCCNS(=O)(=O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000003134575 562932507 /nfs/dbraw/zinc/93/25/07/562932507.db2.gz DVXFIGSTXDVTMY-UHFFFAOYSA-N 1 0 437.871 3.776 50 0 IHAARO Cc1oc(-c2ccc(C)cc2)nc1C[S@](=O)CC(=O)NCC[NH+](CC(C)C)CC(C)C ZINC000004035411 562941111 /nfs/dbraw/zinc/94/11/11/562941111.db2.gz YAQVZKXUXBRCQA-WJOKGBTCSA-N 1 0 447.645 3.937 50 0 IHAARO Cc1ccc2c(c1)N(CC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)c1cccnc1O2 ZINC000009151470 562967838 /nfs/dbraw/zinc/96/78/38/562967838.db2.gz KDMVHHNBVUEEJY-KDURUIRLSA-N 1 0 436.556 3.627 50 0 IHAARO CC[NH+](CC)CCCn1c2c(c(SCC(=O)Nc3ccc(C)c(F)c3)nc1=O)CCC2 ZINC000009746358 562976493 /nfs/dbraw/zinc/97/64/93/562976493.db2.gz TYSSZIARVCMBBE-UHFFFAOYSA-N 1 0 446.592 3.642 50 0 IHAARO CC[NH+](CC)CCCn1c2c(c(SCC(=O)Nc3ccccc3Cl)nc1=O)CCC2 ZINC000009746334 562976516 /nfs/dbraw/zinc/97/65/16/562976516.db2.gz OTFOKAZFEYSXNT-UHFFFAOYSA-N 1 0 449.020 3.848 50 0 IHAARO CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@H+](Cc2cc(OC)c(O)c(OC)c2)C1 ZINC000011709755 562979142 /nfs/dbraw/zinc/97/91/42/562979142.db2.gz GYKAIHMEXOFRCM-VWLOTQADSA-N 1 0 443.540 3.806 50 0 IHAARO COc1ccccc1N(C[C@H](O)C[NH+]1[C@@H](C)CCC[C@@H]1C)S(=O)(=O)c1ccccc1 ZINC000011852027 562979653 /nfs/dbraw/zinc/97/96/53/562979653.db2.gz KEEHFUFQYWCYRH-SLFFLAALSA-N 1 0 432.586 3.514 50 0 IHAARO COc1cccc(CN2CC[N@@H+](C3CCN(c4cccc(C)c4C)CC3)C[C@@H]2CCO)c1 ZINC000019838788 563023155 /nfs/dbraw/zinc/02/31/55/563023155.db2.gz YAEUAZNKYXGVKH-VWLOTQADSA-N 1 0 437.628 3.850 50 0 IHAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000025384161 568655784 /nfs/dbraw/zinc/65/57/84/568655784.db2.gz CZWNMUFNCXVQNO-FQEVSTJZSA-N 1 0 447.551 3.832 50 0 IHAARO COc1cc(=O)n2c(c1C(=O)NCCC(C)C)CC[N@@H+](CC[C@@H](C)c1ccc(C)o1)CC2 ZINC000299770136 568756633 /nfs/dbraw/zinc/75/66/33/568756633.db2.gz PNJMTFMCNIMBLC-GOSISDBHSA-N 1 0 443.588 3.586 50 0 IHAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CC1(n2cccc2)CCSCC1 ZINC000263584748 568758716 /nfs/dbraw/zinc/75/87/16/568758716.db2.gz ADJBAAZSUSNEPR-FCHUYYIVSA-N 1 0 433.662 3.840 50 0 biogenic IHAARO CCCC[N@H+](CC)CCCNC(=O)[C@@H]1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000015678995 568805438 /nfs/dbraw/zinc/80/54/38/568805438.db2.gz MVEWBHMMHZZEAH-HXUWFJFHSA-N 1 0 443.592 3.590 50 0 IHAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cccc(Oc3ccccc3)c2)CN1C1Cc2ccccc2C1 ZINC000032509011 568811609 /nfs/dbraw/zinc/81/16/09/568811609.db2.gz XLOPMWOJVRAOFI-KCWPFWIISA-N 1 0 441.575 3.925 50 0 IHAARO CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000015773298 568823064 /nfs/dbraw/zinc/82/30/64/568823064.db2.gz WRENLMIXUDSWPS-HSZRJFAPSA-N 1 0 425.960 3.646 50 0 IHAARO C[NH+](C)CCNC(=O)c1ccc(CSc2nc(N3CCCC3)cc(C(C)(C)C)n2)cc1 ZINC000036065083 568944739 /nfs/dbraw/zinc/94/47/39/568944739.db2.gz NHPHWMSOKWSBOU-UHFFFAOYSA-N 1 0 441.645 3.958 50 0 IHAARO COc1cc(-c2noc([C@H]([NH2+]C[C@@H](O)Cc3ccccc3)C(C)C)n2)cc(OC)c1OC ZINC000036160541 568967330 /nfs/dbraw/zinc/96/73/30/568967330.db2.gz RPVOSNZCVDLJRB-GHTZIAJQSA-N 1 0 441.528 3.653 50 0 IHAARO CC[N@H+](CCNC(=O)[C@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1)Cc1ccccc1 ZINC000064929152 568987942 /nfs/dbraw/zinc/98/79/42/568987942.db2.gz QMJPFFDJFFHWCS-DEOSSOPVSA-N 1 0 443.595 3.998 50 0 IHAARO CC[C@@H](C(=O)NCCC[NH+]1CCCCC1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000006799359 568989870 /nfs/dbraw/zinc/98/98/70/568989870.db2.gz XRKLMZBYBNIUNX-SFHVURJKSA-N 1 0 426.586 3.863 50 0 IHAARO CCOc1ccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)CN2CC[NH+](CC)CC2)cc1 ZINC000036344101 569080084 /nfs/dbraw/zinc/08/00/84/569080084.db2.gz UJPNQLJRTOLHHK-RUZDIDTESA-N 1 0 434.584 3.709 50 0 IHAARO CN1c2ccccc2[C@@]2(Nc3ccccc3C(=O)N2C[C@H](c2cccs2)[NH+](C)C)C1=O ZINC000036358065 569085002 /nfs/dbraw/zinc/08/50/02/569085002.db2.gz CJWHWJASGPDMJK-YKSBVNFPSA-N 1 0 432.549 3.748 50 0 IHAARO CCN(CC(=O)NC(C)C)C(=O)COc1ccc2ccccc2c1C[NH+]1CCCCC1 ZINC000006865443 569092635 /nfs/dbraw/zinc/09/26/35/569092635.db2.gz XVEBXCYVWZSSLS-UHFFFAOYSA-N 1 0 425.573 3.578 50 0 IHAARO CC[NH+]1CCN(CCCNC(=O)c2ccc(-c3noc(-c4ccc(C)cc4)n3)s2)CC1 ZINC000065062960 569097710 /nfs/dbraw/zinc/09/77/10/569097710.db2.gz QVQIIMSIYHIHRW-UHFFFAOYSA-N 1 0 439.585 3.531 50 0 IHAARO COc1cc(C[NH+]2CCC(C(=O)NC[C@H]3CCCO3)CC2)ccc1OCc1ccccc1 ZINC000006906974 569105989 /nfs/dbraw/zinc/10/59/89/569105989.db2.gz VXIUYMIGNBAROM-HSZRJFAPSA-N 1 0 438.568 3.781 50 0 IHAARO Cc1ccc(-c2nnc(N3CCC(C(=O)N4CCC([NH+]5CCCCC5)CC4)CC3)o2)cc1 ZINC000065229502 569118145 /nfs/dbraw/zinc/11/81/45/569118145.db2.gz RAHYDITWCJGVJZ-UHFFFAOYSA-N 1 0 437.588 3.738 50 0 IHAARO Cc1ccc(N2CCN(C(=O)c3ccc(N4CC[NH2+][C@H](c5ccccc5)C4)nc3)CC2)cc1 ZINC000065256152 569123217 /nfs/dbraw/zinc/12/32/17/569123217.db2.gz VBUIRPPXUNMYNY-VWLOTQADSA-N 1 0 441.579 3.503 50 0 IHAARO C[NH+](C)CCOc1ccc(NC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)cc1 ZINC000524733985 569128060 /nfs/dbraw/zinc/12/80/60/569128060.db2.gz KKBZLIJLEMQUHM-XMMPIXPASA-N 1 0 429.520 3.963 50 0 IHAARO Cc1cccc(-n2c(CC(=O)N3CC[NH+](C4CCCCC4)CC3)c3[nH]cccc-3c2=O)c1 ZINC000065307560 569132415 /nfs/dbraw/zinc/13/24/15/569132415.db2.gz YUQNHMOGZYZSFC-QHCPKHFHSA-N 1 0 432.568 3.959 50 0 IHAARO COc1cc([C@@H](C)NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)ccc1OCCO ZINC000065586136 569139975 /nfs/dbraw/zinc/13/99/75/569139975.db2.gz RYRVBDCDHASRPB-LJQANCHMSA-N 1 0 441.572 3.977 50 0 IHAARO Cc1c(OCC(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc2c3c(c(=O)oc12)CCCC3 ZINC000170613429 569146265 /nfs/dbraw/zinc/14/62/65/569146265.db2.gz AKTPBSFLMVSNAN-GCJKJVERSA-N 1 0 438.568 3.740 50 0 IHAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH2+]C4CCN(Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000002102961 569179901 /nfs/dbraw/zinc/17/99/01/569179901.db2.gz NILKEYZRQOIGIQ-IQMXBARESA-N 1 0 438.612 3.526 50 0 biogenic IHAARO C[C@H]1CC[C@@H]2[N@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5C[C@@H](O)CC[C@@]45C)[C@@H]3CC[C@H]1[C@@]2(C)O ZINC000252441160 569183685 /nfs/dbraw/zinc/18/36/85/569183685.db2.gz IQDIERHFZVCNRZ-IRRSCWDMSA-N 1 0 429.645 3.886 50 0 IHAARO Cc1nc(-c2ccc(S(=O)(=O)NCC3CC[NH+](C4CCSCC4)CC3)cc2)co1 ZINC000252503069 569188051 /nfs/dbraw/zinc/18/80/51/569188051.db2.gz UXZHLSGVLGSFQR-UHFFFAOYSA-N 1 0 435.615 3.536 50 0 IHAARO CC[C@H]1NC(=O)N(c2cccc(NC(=O)N3CCC[N@H+](Cc4ccccc4)C[C@H]3C)c2)C1=O ZINC000253424943 569267137 /nfs/dbraw/zinc/26/71/37/569267137.db2.gz MOGROSRKMWZGFN-XMSQKQJNSA-N 1 0 449.555 3.650 50 0 IHAARO COc1ccc(CN2C(=O)c3ccccc3[C@H]2C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000020152531 569353415 /nfs/dbraw/zinc/35/34/15/569353415.db2.gz IOCWLLOYZJKDJP-DFIYOIEZSA-N 1 0 449.595 3.877 50 0 IHAARO CCC[NH+]1CCN(CCCNC(=O)c2cc3cc4ccc(OC)cc4nc3s2)CC1 ZINC000020178785 569354666 /nfs/dbraw/zinc/35/46/66/569354666.db2.gz KNXPCAAZFKVGCU-UHFFFAOYSA-N 1 0 426.586 3.606 50 0 IHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)Oc2ccccc21 ZINC000020180668 569355154 /nfs/dbraw/zinc/35/51/54/569355154.db2.gz LCOOPOKSONDHFX-KWJZBXMYSA-N 1 0 439.943 3.707 50 0 IHAARO CC[NH+](CC)CCCNC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)Oc2ccccc21 ZINC000020180645 569355164 /nfs/dbraw/zinc/35/51/64/569355164.db2.gz NGGGFJLDMLQJPQ-CJLVFECKSA-N 1 0 441.959 3.955 50 0 IHAARO Cc1ccc(CN(Cc2nc(C(=O)NCC[NH+](C)C)co2)Cc2ccc(F)cc2)c(C)c1 ZINC000096280129 569389573 /nfs/dbraw/zinc/38/95/73/569389573.db2.gz LQSIWBKWGGXACP-UHFFFAOYSA-N 1 0 438.547 3.924 50 0 IHAARO Cc1ccc(-n2c(CC(=O)N3CCC([NH+]4CCCCC4)CC3)c3[nH]cccc-3c2=O)cc1 ZINC000096386911 569398727 /nfs/dbraw/zinc/39/87/27/569398727.db2.gz YYDVQTTYQMNUNO-QHCPKHFHSA-N 1 0 432.568 3.959 50 0 IHAARO C[NH+](C)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1ccccc1 ZINC000002890456 569424405 /nfs/dbraw/zinc/42/44/05/569424405.db2.gz DFBMNDNOWRVTLC-SFHVURJKSA-N 1 0 427.298 3.662 50 0 IHAARO CC[C@H](C)[N@H+](CCNC(=O)Cn1c2ccccc2c2nc(=O)cc(C)n21)C1CCCCC1 ZINC000002947748 569427046 /nfs/dbraw/zinc/42/70/46/569427046.db2.gz XGVVKGGRFAYRCW-SFHVURJKSA-N 1 0 437.588 3.507 50 0 IHAARO Cc1cccc(CS(=O)(=O)Cc2ccc(C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)o2)c1 ZINC000002966748 569432991 /nfs/dbraw/zinc/43/29/91/569432991.db2.gz YYQOQGJCGAEDSJ-PMACEKPBSA-N 1 0 446.613 3.801 50 0 IHAARO CC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CCC[NH+]1CCC(C)CC1 ZINC000002971947 569433461 /nfs/dbraw/zinc/43/34/61/569433461.db2.gz KFMFEAFTWIVDLT-GOSISDBHSA-N 1 0 430.618 3.525 50 0 IHAARO C[C@@H]([NH2+]CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc2ccccc21 ZINC000058171208 569449631 /nfs/dbraw/zinc/44/96/31/569449631.db2.gz OHERXACTJVCZRV-GOSISDBHSA-N 1 0 437.565 3.914 50 0 IHAARO CCCC[N@H+](C)CCNC(=O)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1 ZINC000003587767 569454493 /nfs/dbraw/zinc/45/44/93/569454493.db2.gz KNNCESPQNQVYRF-UHFFFAOYSA-N 1 0 426.966 3.510 50 0 IHAARO COc1ccc([C@H]2[C@H](C(=O)NCCC[NH+]3CCC(C)CC3)c3ccccc3C(=O)N2C)cc1 ZINC000003657952 569455846 /nfs/dbraw/zinc/45/58/46/569455846.db2.gz QUZIZVIOMDBHGG-RPBOFIJWSA-N 1 0 449.595 3.844 50 0 IHAARO Cc1ccc(C)c(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@H](O)[C@H]34)CC2)c1 ZINC000059415231 569461252 /nfs/dbraw/zinc/46/12/52/569461252.db2.gz LSGWJALQGUMIRM-QWJNTRFUSA-N 1 0 438.612 3.710 50 0 biogenic IHAARO Cc1nn(-c2ccccc2)c2nc(Cl)c([C@@H]3NC(=[NH2+])Nc4nc5ccccc5n43)cc12 ZINC000038257299 569462491 /nfs/dbraw/zinc/46/24/91/569462491.db2.gz UKDFWGUICFFROD-LJQANCHMSA-N 1 0 428.887 3.828 50 0 IHAARO O=C(C[NH2+][C@@H](c1cccs1)c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000008749959 569473322 /nfs/dbraw/zinc/47/33/22/569473322.db2.gz GWMQWUGQVCYKFL-RUZDIDTESA-N 1 0 449.576 3.500 50 0 IHAARO O=C(C[NH2+][C@H](c1cccs1)c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000008749956 569473370 /nfs/dbraw/zinc/47/33/70/569473370.db2.gz GWMQWUGQVCYKFL-VWLOTQADSA-N 1 0 449.576 3.500 50 0 IHAARO C[NH+](C)[C@H](CNC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ccsc1 ZINC000040120908 569489530 /nfs/dbraw/zinc/48/95/30/569489530.db2.gz PATDIKZLVLUMPJ-FUHWJXTLSA-N 1 0 439.503 3.535 50 0 IHAARO C[NH+](C)[C@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)c1cccs1 ZINC000069352406 569502208 /nfs/dbraw/zinc/50/22/08/569502208.db2.gz HPLOVMKAUMESAU-CZUORRHYSA-N 1 0 425.476 3.539 50 0 IHAARO CC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)CC1CC1 ZINC000245327914 569503845 /nfs/dbraw/zinc/50/38/45/569503845.db2.gz LHBOCAIWZLPEJU-SIKLNZKXSA-N 1 0 428.598 3.736 50 0 IHAARO COc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(OC)c(OC)c3)nc21 ZINC000009151903 569507687 /nfs/dbraw/zinc/50/76/87/569507687.db2.gz JSRJQQSFJKLMJV-UHFFFAOYSA-N 1 0 429.542 3.921 50 0 IHAARO CCCOc1cccc([C@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CC[NH+](C)C)c1 ZINC000009328355 569522915 /nfs/dbraw/zinc/52/29/15/569522915.db2.gz OAKIGROXORGDSA-QFIPXVFZSA-N 1 0 436.508 3.697 50 0 IHAARO Cc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1cccc2c1CC[N@H+](Cc1ccncc1)C2 ZINC000069947899 569525048 /nfs/dbraw/zinc/52/50/48/569525048.db2.gz HVDUDIFWNPTVIP-UHFFFAOYSA-N 1 0 442.498 3.920 50 0 IHAARO C[C@H](Sc1nncn1C)C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000070005919 569527791 /nfs/dbraw/zinc/52/77/91/569527791.db2.gz BNADWCOCUVQJGL-AWEZNQCLSA-N 1 0 442.416 3.727 50 0 IHAARO O=C(CSc1nc2ccccc2c(=O)n1CCC[NH+]1CCCCC1)NC1CCCCC1 ZINC000009473066 569539020 /nfs/dbraw/zinc/53/90/20/569539020.db2.gz OEAKPSWWOPKEPA-UHFFFAOYSA-N 1 0 442.629 3.814 50 0 IHAARO C[C@@H](NC(=O)C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)c1ccc2c(c1)CCCC2 ZINC000009501936 569541658 /nfs/dbraw/zinc/54/16/58/569541658.db2.gz IHKODRLMZOQQQS-HXUWFJFHSA-N 1 0 425.617 3.857 50 0 IHAARO COc1ccc(CCNC(=O)c2ccccc2NC(=O)C[NH2+]CCc2ccc(F)cc2)cc1 ZINC000009562350 569547276 /nfs/dbraw/zinc/54/72/76/569547276.db2.gz GKRAHFHCWHGJPS-UHFFFAOYSA-N 1 0 449.526 3.578 50 0 IHAARO O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000009666162 569557701 /nfs/dbraw/zinc/55/77/01/569557701.db2.gz DADTVRZXXOCOJZ-JOCHJYFZSA-N 1 0 429.520 3.599 50 0 IHAARO CC1CC[NH+](CCCNC(=O)c2cccn3c(=O)c4c(nc23)sc2c4CCCC2)CC1 ZINC000009677857 569559603 /nfs/dbraw/zinc/55/96/03/569559603.db2.gz IHLHZCGRFPYLTB-UHFFFAOYSA-N 1 0 438.597 3.640 50 0 IHAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CSc2cc(=O)n(C)c3cc(Cl)ccc23)C1 ZINC000009692086 569561033 /nfs/dbraw/zinc/56/10/33/569561033.db2.gz RNCUKWDRNZYMTN-HOTGVXAUSA-N 1 0 436.021 3.768 50 0 IHAARO CC[NH+](CC)CCCn1c2c(c(SCC(=O)Nc3ccc(C)cc3C)nc1=O)CCC2 ZINC000009745958 569565730 /nfs/dbraw/zinc/56/57/30/569565730.db2.gz CJNDNZCOFFPQEJ-UHFFFAOYSA-N 1 0 442.629 3.812 50 0 IHAARO COc1cc(NC(=O)c2cnn(-c3ccccc3)c2C2CC[NH2+]CC2)cc(OC)c1OC ZINC000009835362 569570658 /nfs/dbraw/zinc/57/06/58/569570658.db2.gz JFWWMUOFKJNDQC-UHFFFAOYSA-N 1 0 436.512 3.617 50 0 IHAARO O=C(Cn1ncc2c1-c1ccccc1OC2)NCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000009857728 193909658 /nfs/dbraw/zinc/90/96/58/193909658.db2.gz FDTXREVTRCCPAM-UHFFFAOYSA-N 1 0 444.579 3.904 50 0 IHAARO CCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](CC)CC3)cc2)cc1 ZINC000004123072 132270582 /nfs/dbraw/zinc/27/05/82/132270582.db2.gz IXKVFZHCHIMBIJ-UHFFFAOYSA-N 1 0 426.586 3.744 50 0 IHAARO CCOc1cc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc(Br)c1OC ZINC000009224216 132309729 /nfs/dbraw/zinc/30/97/29/132309729.db2.gz XFPKXWFXRSDTPD-UHFFFAOYSA-N 1 0 448.361 3.861 50 0 IHAARO Cc1ccccc1C[NH+]1CCN(c2ccc(S(=O)(=O)N(C(C)C)C(C)C)cn2)CC1 ZINC000014232096 132356840 /nfs/dbraw/zinc/35/68/40/132356840.db2.gz OXESASXZMBVTDS-UHFFFAOYSA-N 1 0 430.618 3.520 50 0 IHAARO CC(C)(C)C[NH+]1CCC(Oc2ccc(C(=O)N3CCCN(C=O)CC3)cc2Cl)CC1 ZINC000012588319 518663719 /nfs/dbraw/zinc/66/37/19/518663719.db2.gz NANMTIQBZPYJRD-UHFFFAOYSA-N 1 0 435.996 3.534 50 0 IHAARO CC(C)c1ccc(-c2ccc(=O)n(CCC(=O)N3CC[NH+](C4CCCCC4)CC3)n2)cc1 ZINC000041253364 519833788 /nfs/dbraw/zinc/83/37/88/519833788.db2.gz JWBAVCJMXAXYNE-UHFFFAOYSA-N 1 0 436.600 3.901 50 0 IHAARO CCOCc1cc(C[NH+]2CCC(CCC(=O)NCc3cccnc3)CC2)ccc1OC ZINC000012320777 520186510 /nfs/dbraw/zinc/18/65/10/520186510.db2.gz LTIYTDIDJRUEOT-UHFFFAOYSA-N 1 0 425.573 3.935 50 0 IHAARO CCOC(=O)C1C(C[NH2+]CCc2ccc(Cl)cc2)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000012412509 520516076 /nfs/dbraw/zinc/51/60/76/520516076.db2.gz ZYCZPPTZTCZUFT-QFIPXVFZSA-N 1 0 441.959 3.960 50 0 IHAARO CCOc1c(Br)cc(C[NH2+]CCS(=O)(=O)Cc2ccccc2)cc1OC ZINC000048278589 520591033 /nfs/dbraw/zinc/59/10/33/520591033.db2.gz SLIWXKLEEUVBLD-UHFFFAOYSA-N 1 0 442.375 3.561 50 0 IHAARO CC[NH+](CC)CCN(C)C(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1C(C)C ZINC000012332274 520638965 /nfs/dbraw/zinc/63/89/65/520638965.db2.gz FPDLMEDDINJYFH-UHFFFAOYSA-N 1 0 426.590 3.928 50 0 IHAARO CC[NH+](CC)CCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021525972 520661762 /nfs/dbraw/zinc/66/17/62/520661762.db2.gz AMGWANNPTOUWBT-YOHDVBOVSA-N 1 0 444.645 3.954 50 0 IHAARO CCOc1cc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)ccc1O ZINC000020920637 520699298 /nfs/dbraw/zinc/69/92/98/520699298.db2.gz IYVTVTJTKMHSCY-NRFANRHFSA-N 1 0 425.573 3.586 50 0 IHAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)c1cc(CC(C)C)nc(=O)[nH]1 ZINC000020535389 520977738 /nfs/dbraw/zinc/97/77/38/520977738.db2.gz PRGQBOGTNCRYGP-UHFFFAOYSA-N 1 0 438.616 3.694 50 0 IHAARO CCOC(=O)c1c(-c2ccccc2)csc1NC(=S)NC(=O)C[NH+]1CCCCC1 ZINC000012656593 521372919 /nfs/dbraw/zinc/37/29/19/521372919.db2.gz ULUQAEWKCNOFQC-UHFFFAOYSA-N 1 0 431.583 3.891 50 0 IHAARO CC[NH+]1CCN(C[C@@H](O)COc2ccc3c(c2)c(C(C)=O)c(C)n3-c2ccc(C)cc2)CC1 ZINC000021167986 521684885 /nfs/dbraw/zinc/68/48/85/521684885.db2.gz DCPXOLIPZRNJLJ-HSZRJFAPSA-N 1 0 449.595 3.827 50 0 IHAARO COc1cc(Br)c(CC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1OC ZINC000012911229 522021455 /nfs/dbraw/zinc/02/14/55/522021455.db2.gz GUFYBAPOYPYJKV-INIZCTEOSA-N 1 0 437.334 3.555 50 0 IHAARO COc1cc2oc(=O)c(CC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c(C)c2cc1Cl ZINC000012296738 523070499 /nfs/dbraw/zinc/07/04/99/523070499.db2.gz PMNRCGAXPRATRG-HNAYVOBHSA-N 1 0 432.948 3.687 50 0 biogenic IHAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+](C)C[C@@H]2COCCO2)cc1F ZINC000012430547 523244202 /nfs/dbraw/zinc/24/42/02/523244202.db2.gz KSWBXIXIVUNVSZ-HXUWFJFHSA-N 1 0 425.504 3.843 50 0 IHAARO C[NH+]1CCN(CCC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2cc(F)ccc2F)CC1 ZINC000020451057 523894326 /nfs/dbraw/zinc/89/43/26/523894326.db2.gz NCSZTFDVIHZGRG-VWLOTQADSA-N 1 0 438.522 3.558 50 0 IHAARO C[NH+]1CCN(c2ccc(NC(=O)COc3ccc(Br)cc3Cl)cc2)CC1 ZINC000012527209 523925862 /nfs/dbraw/zinc/92/58/62/523925862.db2.gz UUUOIALHSCIKPE-UHFFFAOYSA-N 1 0 438.753 3.872 50 0 IHAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CCc2nc(-c3cccs3)no2)CC1 ZINC000012555932 523926446 /nfs/dbraw/zinc/92/64/46/523926446.db2.gz LSSSZOSGOWBGDP-UHFFFAOYSA-N 1 0 431.949 3.775 50 0 IHAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C(=O)c3cc(CC(C)C)on3)C2)cc1OC ZINC000012752459 523940279 /nfs/dbraw/zinc/94/02/79/523940279.db2.gz ZXYNHYJNTHAPNY-LJQANCHMSA-N 1 0 429.561 3.669 50 0 IHAARO COc1ccc(CC[NH2+]Cc2cccn2-c2nnc(N3CCC(C)CC3)s2)cc1OC ZINC000020576365 523976366 /nfs/dbraw/zinc/97/63/66/523976366.db2.gz WRIFCYWGMSWEQI-UHFFFAOYSA-N 1 0 441.601 3.915 50 0 IHAARO COc1ccc(C[N@@H+]2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)cc1Cn1cccn1 ZINC000012448234 524029007 /nfs/dbraw/zinc/02/90/07/524029007.db2.gz ZUMDMKOWPBVQGO-QFIPXVFZSA-N 1 0 434.540 3.788 50 0 IHAARO C[C@H]1CCC[N@H+](CCCNC(=O)C2CCN(c3nc(-c4ccc(Cl)cc4)no3)CC2)C1 ZINC000035447391 524088259 /nfs/dbraw/zinc/08/82/59/524088259.db2.gz ASIMCCSAJBZYAB-KRWDZBQOSA-N 1 0 445.995 3.845 50 0 IHAARO Cc1cccc(-c2ncc(C(=O)NCC3CC3)c(N3CC[NH+](Cc4ccccc4)CC3)n2)c1 ZINC000035988786 524121290 /nfs/dbraw/zinc/12/12/90/524121290.db2.gz VPAJMCBADLORMD-UHFFFAOYSA-N 1 0 441.579 3.914 50 0 IHAARO C[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)C1 ZINC000021535156 524223223 /nfs/dbraw/zinc/22/32/23/524223223.db2.gz BMHJIWXAONWVEW-GFCCVEGCSA-N 1 0 437.509 3.822 50 0 IHAARO C[C@@H](C(=O)N[C@H]1CCCc2ccccc21)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000012748797 524238076 /nfs/dbraw/zinc/23/80/76/524238076.db2.gz CTJBXMPRJPAZOQ-JTSKRJEESA-N 1 0 449.551 3.648 50 0 IHAARO Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000020939513 524348218 /nfs/dbraw/zinc/34/82/18/524348218.db2.gz ICNFETUNDJWHII-UHFFFAOYSA-N 1 0 439.585 3.668 50 0 IHAARO COc1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(F)cc2)cc1 ZINC000035372885 524503626 /nfs/dbraw/zinc/50/36/26/524503626.db2.gz SYJSZIFNHSWOKS-UHFFFAOYSA-N 1 0 440.544 3.829 50 0 IHAARO Cc1ccc(CNc2nc(N3CC[NH+](Cc4ccccc4)CC3)nc3c2cnn3C)cc1 ZINC000021929447 524619456 /nfs/dbraw/zinc/61/94/56/524619456.db2.gz HISOEYITCLSSIM-UHFFFAOYSA-N 1 0 427.556 3.606 50 0 IHAARO COc1ccc(NC(=O)c2c(NC(=O)C[NH2+]CC(C)C)sc3c2CCC3)c(OC)c1 ZINC000012382289 524623298 /nfs/dbraw/zinc/62/32/98/524623298.db2.gz KRSJLYPWAJGBPQ-UHFFFAOYSA-N 1 0 431.558 3.690 50 0 IHAARO Cc1cccn2c(CN3CC[N@@H+](C)C[C@@H]3C(C)C)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000020993665 525464996 /nfs/dbraw/zinc/46/49/96/525464996.db2.gz REFRSZLQOBXALC-HSZRJFAPSA-N 1 0 447.627 3.729 50 0 IHAARO Cc1c(C(=O)NCCC[N@H+]2[C@H](C)CCC[C@@H]2C)sc2nc3n(c(=O)c12)CCCCC3 ZINC000020902328 525610507 /nfs/dbraw/zinc/61/05/07/525610507.db2.gz PYUPMCOGYRCAGM-IYBDPMFKSA-N 1 0 430.618 3.876 50 0 IHAARO Cc1ccc(-n2cnnc2SCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000022884107 525921017 /nfs/dbraw/zinc/92/10/17/525921017.db2.gz LHETTYGMNOYBIV-UHFFFAOYSA-N 1 0 435.597 3.757 50 0 IHAARO Cc1cc(-c2ccc(C)c(S(=O)(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2)on1 ZINC000020580290 526039146 /nfs/dbraw/zinc/03/91/46/526039146.db2.gz BLRRSIFWORVBAC-UHFFFAOYSA-N 1 0 425.554 3.901 50 0 IHAARO Cc1cc(=O)c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)nn1-c1cccc(C(F)(F)F)c1 ZINC000012905700 526128363 /nfs/dbraw/zinc/12/83/63/526128363.db2.gz GTVXNGFSPURILM-LJQANCHMSA-N 1 0 444.457 3.592 50 0 IHAARO Cc1cc(=O)c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)nn1-c1cccc(C(F)(F)F)c1 ZINC000012905695 526128904 /nfs/dbraw/zinc/12/89/04/526128904.db2.gz GTVXNGFSPURILM-IBGZPJMESA-N 1 0 444.457 3.592 50 0 IHAARO Fc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3cccn3-c3nccs3)C2)CC1 ZINC000020514959 526413741 /nfs/dbraw/zinc/41/37/41/526413741.db2.gz IKYNYHFYNFKVDH-IBGZPJMESA-N 1 0 425.577 3.860 50 0 IHAARO c1cc(C[NH2+]Cc2ccccc2)n(-c2nnc(N3CCN(Cc4ccccc4)CC3)s2)c1 ZINC000020576320 526428858 /nfs/dbraw/zinc/42/88/58/526428858.db2.gz JJHMQLFEDGBGBI-UHFFFAOYSA-N 1 0 444.608 3.941 50 0 IHAARO O=C(NC[C@@H]1CCC[N@H+](CCc2ccccc2)C1)c1cn(Cc2cccc(Cl)c2)nn1 ZINC000012706707 526513659 /nfs/dbraw/zinc/51/36/59/526513659.db2.gz UBVNXTGHGMBZAN-NRFANRHFSA-N 1 0 437.975 3.664 50 0 IHAARO O=C(CC[C@@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1)N1CCN(c2ccccn2)CC1 ZINC000012308881 526553830 /nfs/dbraw/zinc/55/38/30/526553830.db2.gz UDTUBQARCGIMDY-QFIPXVFZSA-N 1 0 443.595 3.971 50 0 IHAARO O=C(CN1CCC(c2nc3ccccc3s2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012732425 526729814 /nfs/dbraw/zinc/72/98/14/526729814.db2.gz IPBJKKAZFNSJNP-OAQYLSRUSA-N 1 0 434.609 3.866 50 0 IHAARO Cc1nc(CN(C)Cc2cccc(OC[C@H](O)C[N@@H+]3CCc4ccccc4C3)c2)cs1 ZINC000012703347 526842274 /nfs/dbraw/zinc/84/22/74/526842274.db2.gz FGZFLVJMGXEIHT-XMMPIXPASA-N 1 0 437.609 3.882 50 0 IHAARO O=C(c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000015068709 526889312 /nfs/dbraw/zinc/88/93/12/526889312.db2.gz ZFTZDKATEMINAW-UHFFFAOYSA-N 1 0 448.596 3.969 50 0 IHAARO O=C(c1n[nH]c2c1CCC2)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012437664 526911146 /nfs/dbraw/zinc/91/11/46/526911146.db2.gz FUNNFBTXRCWBNB-FQEVSTJZSA-N 1 0 440.563 3.571 50 0 IHAARO Cc1nc(N2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)cc(N2CCCC2)[nH+]1 ZINC000021795102 526964846 /nfs/dbraw/zinc/96/48/46/526964846.db2.gz XTQQIRGUXICZNC-UHFFFAOYSA-N 1 0 434.466 3.758 50 0 IHAARO O=C(Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)Nc1ccc2c(c1)OCO2 ZINC000035598047 527169497 /nfs/dbraw/zinc/16/94/97/527169497.db2.gz HQKNSVVNGDKJJO-UHFFFAOYSA-N 1 0 431.496 3.777 50 0 IHAARO O=C(Nc1ccnn1C1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1)C1CC1 ZINC000012429738 527459527 /nfs/dbraw/zinc/45/95/27/527459527.db2.gz ANASGZXQTWAHSX-UHFFFAOYSA-N 1 0 435.572 3.695 50 0 IHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000012391672 527531788 /nfs/dbraw/zinc/53/17/88/527531788.db2.gz XDMVDIOXHWZMLM-GOSISDBHSA-N 1 0 445.485 3.839 50 0 IHAARO O[C@@H]1CN(C/C(Cl)=C/c2ccccc2)CC[C@H]1[NH+]1CCN(c2ccccc2F)CC1 ZINC000020541870 527677544 /nfs/dbraw/zinc/67/75/44/527677544.db2.gz YDFMVXPDEBPNAS-MOKSLOSZSA-N 1 0 429.967 3.663 50 0 IHAARO O=C(COc1ccccc1)Nc1ccc(N2CCC[N@@H+](Cc3cccc(F)c3)CC2)nc1 ZINC000034681991 555815704 /nfs/dbraw/zinc/81/57/04/555815704.db2.gz CCIYCDXGUXUKID-UHFFFAOYSA-N 1 0 434.515 3.951 50 0 IHAARO COc1ccc(NC(=O)Nc2ccc(N3CCC[N@H+](Cc4ccncc4)CC3)nc2)cc1 ZINC000034682116 555815984 /nfs/dbraw/zinc/81/59/84/555815984.db2.gz ACDGINRWHGQOBN-UHFFFAOYSA-N 1 0 432.528 3.842 50 0 IHAARO COC(=O)c1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000002704374 556123591 /nfs/dbraw/zinc/12/35/91/556123591.db2.gz MZNYHTSKOFCZFU-QFIPXVFZSA-N 1 0 448.519 3.693 50 0 IHAARO COc1ccc(OC)c([N+]2=C3CCCCCN3[C@@](O)(c3ccc(OC(F)F)cc3)C2)c1 ZINC000002974546 556152732 /nfs/dbraw/zinc/15/27/32/556152732.db2.gz SIANYSSKNPKONY-QHCPKHFHSA-N 1 0 433.475 3.956 50 0 IHAARO COc1ccccc1N(C[C@@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C)S(=O)(=O)c1ccccc1 ZINC000008754145 556210605 /nfs/dbraw/zinc/21/06/05/556210605.db2.gz KEEHFUFQYWCYRH-ZCNNSNEGSA-N 1 0 432.586 3.514 50 0 IHAARO COc1cc(Br)cc2cc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c(=O)oc21 ZINC000008763801 556211746 /nfs/dbraw/zinc/21/17/46/556211746.db2.gz IVXIFBIPSOMQFN-UHFFFAOYSA-N 1 0 437.334 3.603 50 0 IHAARO C[NH+](C)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1cccc(F)c1 ZINC000009253242 556267396 /nfs/dbraw/zinc/26/73/96/556267396.db2.gz VZLYCVPJJMRVDG-GOSISDBHSA-N 1 0 445.288 3.801 50 0 IHAARO O=C(CCc1nnc(CCc2c[nH]c3ccccc23)o1)N1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000011873738 556369927 /nfs/dbraw/zinc/36/99/27/556369927.db2.gz XGQZSOCSKVNIKE-FQEVSTJZSA-N 1 0 449.599 3.993 50 0 IHAARO Cc1cccn2c(C[N@H+](C)CC3CCOCC3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000011935277 556377840 /nfs/dbraw/zinc/37/78/40/556377840.db2.gz JEVAYJDNUBZCPC-UHFFFAOYSA-N 1 0 434.584 3.816 50 0 IHAARO O=C(CCC1CCCCC1)N1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000011936823 556379034 /nfs/dbraw/zinc/37/90/34/556379034.db2.gz YZFBKMROXKUGGL-UHFFFAOYSA-N 1 0 440.632 3.761 50 0 IHAARO C[C@H](Oc1ccccc1)C(=O)NC[C@@H]1CCC2(CC[NH+](Cc3ccccc3F)CC2)O1 ZINC000011964768 556381398 /nfs/dbraw/zinc/38/13/98/556381398.db2.gz BHJYHDZBNCPCRF-UGKGYDQZSA-N 1 0 426.532 3.923 50 0 IHAARO CN(CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)C(=O)CCc1cnn(C)c1 ZINC000011997480 556384603 /nfs/dbraw/zinc/38/46/03/556384603.db2.gz IXGOJILJXUFOCB-UHFFFAOYSA-N 1 0 436.522 3.785 50 0 IHAARO COc1cccc(Cn2c(=O)c(C[NH2+]CCn3nc(C)cc3C)cc3ccc(F)cc32)c1 ZINC000012005037 556386309 /nfs/dbraw/zinc/38/63/09/556386309.db2.gz VXAWZYKIXHEXAB-UHFFFAOYSA-N 1 0 434.515 3.801 50 0 IHAARO CC(C)C(=O)N[C@@H](C)c1nnc2n1CC[N@@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000012030365 556388590 /nfs/dbraw/zinc/38/85/90/556388590.db2.gz DHBFPTMCKFEEIY-SFHVURJKSA-N 1 0 429.568 3.741 50 0 IHAARO O=C1CC[C@@H](CC[NH2+]CCOc2ccc(F)cc2)N1CC1(c2ccccc2)CCOCC1 ZINC000012039258 556390441 /nfs/dbraw/zinc/39/04/41/556390441.db2.gz MMRQXSHZZFODLC-QHCPKHFHSA-N 1 0 440.559 3.924 50 0 IHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2nccc(-c3ccccc3F)n2)c1C(C)C ZINC000012047677 556391746 /nfs/dbraw/zinc/39/17/46/556391746.db2.gz WCOVICDXVWVMEJ-KRWDZBQOSA-N 1 0 436.535 3.806 50 0 IHAARO C[C@@H](COc1ccccc1)[NH+]1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000012089892 556402107 /nfs/dbraw/zinc/40/21/07/556402107.db2.gz MEOXHABTLFAPBN-SFHVURJKSA-N 1 0 448.523 3.969 50 0 IHAARO Cc1ccc(-c2noc(-c3ccc(OCC(=O)N4CC[NH+](CC(C)C)CC4)cc3)n2)cc1 ZINC000032579074 556406101 /nfs/dbraw/zinc/40/61/01/556406101.db2.gz WSXZHLBJQAJDDV-UHFFFAOYSA-N 1 0 434.540 3.891 50 0 IHAARO COc1ccc([C@@H](CNC(=O)c2[nH]c(C)c(C(=O)OC(C)C)c2C)[NH+]2CCCC2)cc1 ZINC000014251822 556409251 /nfs/dbraw/zinc/40/92/51/556409251.db2.gz YKSYVAZMNNIRAH-HXUWFJFHSA-N 1 0 427.545 3.772 50 0 IHAARO Cn1nc(C(=O)NCc2ccncc2)c2c1CC[C@@H]([NH+]1CCC(Cc3ccccc3)CC1)C2 ZINC000014531093 556420415 /nfs/dbraw/zinc/42/04/15/556420415.db2.gz WMAZGDUTTWYAQN-HSZRJFAPSA-N 1 0 443.595 3.557 50 0 IHAARO COCCN1C(=O)N(Cc2ccccc2)C2(CC[NH+](C/C(C)=C/c3ccco3)CC2)C1=O ZINC000014531656 556420662 /nfs/dbraw/zinc/42/06/62/556420662.db2.gz ABKUJIKHJKUOAM-LVZFUZTISA-N 1 0 437.540 3.628 50 0 IHAARO COc1ccc(CC[NH2+][C@@H]2CCc3c(c(C(=O)N(C)C)nn3CC3CCCCC3)C2)cc1 ZINC000014532329 556421019 /nfs/dbraw/zinc/42/10/19/556421019.db2.gz ARPXDQZVBUQBNJ-OAQYLSRUSA-N 1 0 438.616 3.863 50 0 IHAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]Cc1ccccc1OC(F)(F)F)C2 ZINC000014743706 556440068 /nfs/dbraw/zinc/44/00/68/556440068.db2.gz MGCMYWURZFGVCR-INIZCTEOSA-N 1 0 436.478 3.685 50 0 IHAARO Cc1ccc([C@H](CNC(=O)c2cc(=O)c3ccc(Br)cc3o2)[NH+](C)C)cc1 ZINC000028290765 556449704 /nfs/dbraw/zinc/44/97/04/556449704.db2.gz AHYVTZLJZOVDBA-KRWDZBQOSA-N 1 0 429.314 3.897 50 0 IHAARO Cc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](C[C@@H](C)c2ccccc2)CC3)c(C)c1 ZINC000014882103 556454138 /nfs/dbraw/zinc/45/41/38/556454138.db2.gz IDVGXIWVSYIIIZ-OAQYLSRUSA-N 1 0 431.584 3.529 50 0 IHAARO CCOCCC[NH2+][C@H]1CCc2c(sc3ncn(CCCc4ccccc4)c(=O)c32)C1 ZINC000015005902 556481627 /nfs/dbraw/zinc/48/16/27/556481627.db2.gz WLMSUBDVKVUOBI-IBGZPJMESA-N 1 0 425.598 3.964 50 0 IHAARO Fc1ccc(-c2csc3ncnc(NC[C@H]([C@H]4CCOC4)[NH+]4CCOCC4)c23)cc1 ZINC000029831640 556483514 /nfs/dbraw/zinc/48/35/14/556483514.db2.gz MKWVFBWPDXBBEY-QFBILLFUSA-N 1 0 428.533 3.647 50 0 IHAARO Cc1cccn2c(C[NH2+][C@@H](C)CCn3cccn3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000015075688 556499211 /nfs/dbraw/zinc/49/92/11/556499211.db2.gz YTYSTXXHJUMOIA-NRFANRHFSA-N 1 0 444.583 3.722 50 0 IHAARO Cc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc12 ZINC000013557491 556517465 /nfs/dbraw/zinc/51/74/65/556517465.db2.gz WEQOPNJBCITECF-IBGZPJMESA-N 1 0 434.536 3.958 50 0 IHAARO Cc1cc(OCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2c(C)c(C)c(=O)oc2c1 ZINC000013557423 556517518 /nfs/dbraw/zinc/51/75/18/556517518.db2.gz CWXMLSZTEFTJLC-UHFFFAOYSA-N 1 0 434.536 3.878 50 0 IHAARO Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)[NH+]2CCCC2)cc1 ZINC000032593966 556541966 /nfs/dbraw/zinc/54/19/66/556541966.db2.gz JUMUKAOIGYLOFB-OAQYLSRUSA-N 1 0 433.508 3.988 50 0 IHAARO CC1CC[NH+]([C@H](CNC(=O)COc2ccc3c(c2)CCC(=O)N3)c2cccs2)CC1 ZINC000032907934 556563948 /nfs/dbraw/zinc/56/39/48/556563948.db2.gz HVLNAGHARSTZGP-HXUWFJFHSA-N 1 0 427.570 3.601 50 0 IHAARO CC1CC[NH+]([C@@H](CNC(=O)COc2ccc3c(c2)CCC(=O)N3)c2cccs2)CC1 ZINC000032907933 556563968 /nfs/dbraw/zinc/56/39/68/556563968.db2.gz HVLNAGHARSTZGP-FQEVSTJZSA-N 1 0 427.570 3.601 50 0 IHAARO Cc1cccc(-c2c[nH]c([C@H]3CCC[N@@H+]3CCC(=O)N3CCN(c4ccccn4)CC3)n2)c1 ZINC000072308656 556565605 /nfs/dbraw/zinc/56/56/05/556565605.db2.gz PTRSAVJLTUNFPU-HSZRJFAPSA-N 1 0 444.583 3.656 50 0 IHAARO Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016000534 556572409 /nfs/dbraw/zinc/57/24/09/556572409.db2.gz MILNJVZYCPJSNJ-XVIHEJCXSA-N 1 0 449.938 3.696 50 0 IHAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000032986403 556605774 /nfs/dbraw/zinc/60/57/74/556605774.db2.gz DXEGFKLXGSXYJP-JOCHJYFZSA-N 1 0 425.960 3.583 50 0 IHAARO COc1ccccc1C[NH2+]CCc1cc(OC)c(I)cc1OC ZINC000038428237 556612648 /nfs/dbraw/zinc/61/26/48/556612648.db2.gz ZFUOLNAKPBFDIJ-UHFFFAOYSA-N 1 0 427.282 3.649 50 0 in-vitro IHAARO CCOc1ccc2nc(N3CCC(C(=O)NCC[N@@H+]4CCCC[C@H]4C)CC3)sc2c1 ZINC000005086232 556631870 /nfs/dbraw/zinc/63/18/70/556631870.db2.gz DQQNNTOKXZNHLR-QGZVFWFLSA-N 1 0 430.618 3.902 50 0 IHAARO CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCC[NH+]4CCCCCC4)C3)sc2c1 ZINC000005106224 556635475 /nfs/dbraw/zinc/63/54/75/556635475.db2.gz PTEYHALVCARDTK-GOSISDBHSA-N 1 0 430.618 3.904 50 0 IHAARO Cc1ccc(NC(=O)c2nnc(SCC(=O)NCCC[NH+]3CCCCCC3)s2)cc1 ZINC000033011782 556659874 /nfs/dbraw/zinc/65/98/74/556659874.db2.gz JWMXGDGNVWIUOO-UHFFFAOYSA-N 1 0 447.630 3.573 50 0 IHAARO O=C1[C@@H]2[C@H](C(=O)N1c1ccc(F)cc1)[C@@H](c1ccc(Br)cc1)[N@H+]1CCC[C@@H]21 ZINC000043732505 556665081 /nfs/dbraw/zinc/66/50/81/556665081.db2.gz PBDKIJISGUZBQN-CADBVGFASA-N 1 0 429.289 3.913 50 0 IHAARO COc1ccc([C@H](CNC(=O)C[N@H+](C[C@@H]2CCOC2)C2CC2)c2c[nH]c3ccccc32)cc1 ZINC000032935634 556678407 /nfs/dbraw/zinc/67/84/07/556678407.db2.gz LIOZTIFAUAGVBI-CYFREDJKSA-N 1 0 447.579 3.926 50 0 IHAARO O=C(COc1ccccc1Cl)N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055119629 556735247 /nfs/dbraw/zinc/73/52/47/556735247.db2.gz GUPPQHOZYUNTRT-HXUWFJFHSA-N 1 0 431.939 3.671 50 0 IHAARO Cc1c(C[NH2+][C@@H]2CCCN(c3nc4ccccc4s3)C2)c(=O)n(-c2ccccc2)n1C ZINC000055153033 556736416 /nfs/dbraw/zinc/73/64/16/556736416.db2.gz YJUQAVOIBDXEDA-GOSISDBHSA-N 1 0 433.581 3.853 50 0 IHAARO Cc1cccn2c(CNC[C@H]3CC[N@@H+](C(C)C)C3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000055226764 556738305 /nfs/dbraw/zinc/73/83/05/556738305.db2.gz JNRZIOFLCGZTHY-HSZRJFAPSA-N 1 0 447.627 3.777 50 0 IHAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)CCCc3ncc(-c4ccccc4)o3)cn2)CC1 ZINC000058157731 556763041 /nfs/dbraw/zinc/76/30/41/556763041.db2.gz DNSSNDJCBDPTQD-UHFFFAOYSA-N 1 0 433.556 3.518 50 0 IHAARO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2NC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000058158810 556763499 /nfs/dbraw/zinc/76/34/99/556763499.db2.gz NAGQDLNGZSWQAK-RBUKOAKNSA-N 1 0 426.483 3.633 50 0 IHAARO CN1CC[N@H+](CCCNC(=O)NCc2nc(-c3ccccc3)cs2)[C@H](c2ccccc2)C1 ZINC000058161764 556765354 /nfs/dbraw/zinc/76/53/54/556765354.db2.gz KIIHUFMPDBLPQN-QHCPKHFHSA-N 1 0 449.624 3.988 50 0 IHAARO Cc1nn([C@H]2CCS(=O)(=O)C2)c2ncc(C[NH2+][C@@H](C)c3ccc4c(c3)CCCC4)cc12 ZINC000058172271 556768581 /nfs/dbraw/zinc/76/85/81/556768581.db2.gz MZBGMNCHULERMF-AOMKIAJQSA-N 1 0 438.597 3.829 50 0 IHAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)CN3CCSc4ccccc43)CC2)c1 ZINC000033059138 556808041 /nfs/dbraw/zinc/80/80/41/556808041.db2.gz QTLHWOJVKIBNMT-UHFFFAOYSA-N 1 0 438.641 3.544 50 0 IHAARO Cc1ccccc1-c1cccc(C[N@@H+]2C[C@H](n3cnnn3)C[C@H]2C(=O)N2CCCCCC2)c1 ZINC000064093191 556822852 /nfs/dbraw/zinc/82/28/52/556822852.db2.gz OJMSJZRZSUUAEY-NOZRDPDXSA-N 1 0 444.583 3.867 50 0 IHAARO COc1ccc(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCCCC4)n3)CC2)cc1Cl ZINC000065362159 556834274 /nfs/dbraw/zinc/83/42/74/556834274.db2.gz UHYQQZZMBPCIFY-UHFFFAOYSA-N 1 0 444.967 3.791 50 0 IHAARO C[NH+](C)CCNC(=O)c1ccc(OC2CCN(C(=O)CC3=CCCCC3)CC2)c(Cl)c1 ZINC000067713962 556846391 /nfs/dbraw/zinc/84/63/91/556846391.db2.gz JFALIKWGXGMTCA-UHFFFAOYSA-N 1 0 448.007 3.892 50 0 IHAARO COc1ccccc1N1CC[NH+](CCCNC(=O)[C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000033126148 556866703 /nfs/dbraw/zinc/86/67/03/556866703.db2.gz UWWCSXOLBYWHRR-QFIPXVFZSA-N 1 0 446.595 3.925 50 0 IHAARO C[N@H+](Cc1ccccc1)C1(CNC(=O)Cc2ccc3c(c2)OCO3)Cc2ccccc2C1 ZINC000019791343 556915304 /nfs/dbraw/zinc/91/53/04/556915304.db2.gz MHZXMQGDQCOWDE-UHFFFAOYSA-N 1 0 428.532 3.744 50 0 IHAARO COc1cccc(CN2CC[NH+]([C@@H]3CCC(=O)N(Cc4ccc(F)cc4F)CC3)CC2)c1 ZINC000019837111 556928247 /nfs/dbraw/zinc/92/82/47/556928247.db2.gz GPOPBUYWCDVZQZ-JOCHJYFZSA-N 1 0 443.538 3.672 50 0 IHAARO CCN1c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000097122783 556990604 /nfs/dbraw/zinc/99/06/04/556990604.db2.gz NQOAESUPYWHMJP-VWLOTQADSA-N 1 0 446.595 3.873 50 0 IHAARO Cc1c(C)c2cc(Cl)c(OCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2oc1=O ZINC000043746938 557012989 /nfs/dbraw/zinc/01/29/89/557012989.db2.gz SMAAEEZQLDVJIR-LPHOPBHVSA-N 1 0 432.948 3.823 50 0 IHAARO CC[NH+]1CCN(c2nc3c(cnn3-c3ccccc3)c(Nc3cccc(OC)c3)n2)CC1 ZINC000017288716 557045644 /nfs/dbraw/zinc/04/56/44/557045644.db2.gz YKIKBOAGJHUGAR-UHFFFAOYSA-N 1 0 429.528 3.710 50 0 IHAARO CCOc1cc(C[NH2+]Cc2ccccc2CN2CCOCC2)cc(Br)c1OC ZINC000017318132 557057634 /nfs/dbraw/zinc/05/76/34/557057634.db2.gz SPKPAPYGRPEPLM-UHFFFAOYSA-N 1 0 449.389 3.978 50 0 IHAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl ZINC000048299562 557061724 /nfs/dbraw/zinc/06/17/24/557061724.db2.gz LOIRNHSRNSDYII-INIZCTEOSA-N 1 0 432.030 3.609 50 0 IHAARO Cc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)c(C)c1 ZINC000023130298 557066742 /nfs/dbraw/zinc/06/67/42/557066742.db2.gz XQSJAJZELPKLMF-KRWDZBQOSA-N 1 0 439.510 3.722 50 0 IHAARO CSc1cccc(C[NH+]2CCC(Oc3cccc(C(=O)N4CCOCC4)c3)CC2)c1 ZINC000023250749 557078645 /nfs/dbraw/zinc/07/86/45/557078645.db2.gz NLJKEXLNZJJETL-UHFFFAOYSA-N 1 0 426.582 3.924 50 0 IHAARO COC(=O)c1ccc2c(c1)nc(N1CC[NH+](C3CCCCC3)CC1)n(-c1ccccc1)c2=O ZINC000049006418 557085054 /nfs/dbraw/zinc/08/50/54/557085054.db2.gz OPJHGURXKOIANA-UHFFFAOYSA-N 1 0 446.551 3.627 50 0 IHAARO O=S(=O)(NCC[NH+]1CCCCCC1)c1ccccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000033307148 557086514 /nfs/dbraw/zinc/08/65/14/557086514.db2.gz LXYJBVMMXVKSSO-UHFFFAOYSA-N 1 0 444.532 3.697 50 0 IHAARO COCC[NH+]1CCN(Cc2cn(-c3ccccc3C)nc2-c2ccc(OC)c(F)c2)CC1 ZINC000023358151 557087020 /nfs/dbraw/zinc/08/70/20/557087020.db2.gz KUGQDJREVLTKSU-UHFFFAOYSA-N 1 0 438.547 3.759 50 0 IHAARO Cc1cc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)nc(NC2CCCCC2)[nH+]1 ZINC000049028109 557088225 /nfs/dbraw/zinc/08/82/25/557088225.db2.gz WZJUHPZPRMLUBK-UHFFFAOYSA-N 1 0 447.539 3.598 50 0 IHAARO CCOC(=O)c1c2c(sc1NC(=O)c1cnc(C)cn1)CN(Cc1ccccc1)CC2 ZINC000023485449 557094631 /nfs/dbraw/zinc/09/46/31/557094631.db2.gz HGEICDHYBZARSM-UHFFFAOYSA-N 1 0 436.537 3.834 50 0 IHAARO COc1ccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)cc1Cn1cccn1 ZINC000023505419 557095342 /nfs/dbraw/zinc/09/53/42/557095342.db2.gz YKFVWGNGIQJPDH-SANMLTNESA-N 1 0 445.611 3.727 50 0 IHAARO CCN1CCN(C(=O)[C@@H](C)[NH2+]C[C@H](c2c[nH]c3ccccc32)c2ccc(N(C)C)cc2)CC1 ZINC000023907575 557124396 /nfs/dbraw/zinc/12/43/96/557124396.db2.gz NGEZKGNFMZHMJM-YKSBVNFPSA-N 1 0 447.627 3.508 50 0 IHAARO Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)c2)cc1 ZINC000025719977 557223222 /nfs/dbraw/zinc/22/32/22/557223222.db2.gz KQPBNJAGQZODGY-FQEVSTJZSA-N 1 0 443.594 3.890 50 0 IHAARO CC(=O)c1ccc(NC(=O)CC[N@@H+](C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)cc1 ZINC000026154806 557236309 /nfs/dbraw/zinc/23/63/09/557236309.db2.gz MLTFLFUBLQPJQS-UHFFFAOYSA-N 1 0 435.446 3.642 50 0 IHAARO CC1CC[NH+]([C@H](CNC(=O)CCCc2nc3ccccc3c(=O)[nH]2)c2cccs2)CC1 ZINC000027573276 557266204 /nfs/dbraw/zinc/26/62/04/557266204.db2.gz FNZPWQWMGZTIEF-HXUWFJFHSA-N 1 0 438.597 3.897 50 0 IHAARO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000027674752 557271347 /nfs/dbraw/zinc/27/13/47/557271347.db2.gz MXODSKFZFFGHJB-IRXDYDNUSA-N 1 0 440.034 3.672 50 0 IHAARO COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)NC(=O)CCS3)[NH+]2CCCC2)cc1 ZINC000014183859 557314162 /nfs/dbraw/zinc/31/41/62/557314162.db2.gz YPTMPCVKZYUYOE-HXUWFJFHSA-N 1 0 425.554 3.696 50 0 IHAARO C[C@@H]([NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)c1ccc(-c2ccccc2)cc1 ZINC000014183662 557314190 /nfs/dbraw/zinc/31/41/90/557314190.db2.gz PXIKLHWGRJHBGD-DVECYGJZSA-N 1 0 440.609 3.963 50 0 IHAARO COc1ccccc1/C=C1/Oc2ccc(C(=O)NCC[NH+]3CCCCCC3)cc2NC1=O ZINC000032983746 557319984 /nfs/dbraw/zinc/31/99/84/557319984.db2.gz WFPITUUZEQPOET-HAVVHWLPSA-N 1 0 435.524 3.673 50 0 IHAARO CCNC(=O)N1CCC[C@@H](c2cccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c2)C1 ZINC000033264155 557327950 /nfs/dbraw/zinc/32/79/50/557327950.db2.gz VZSQGIBLOXKMGN-JOCHJYFZSA-N 1 0 426.605 3.686 50 0 IHAARO CC(C)Cn1c2ccccc2nc(-c2ccc(C(=O)NCCC[NH+]3CCCC3)cc2)c1=O ZINC000033298562 557330659 /nfs/dbraw/zinc/33/06/59/557330659.db2.gz CJVUYLRUVUBZEZ-UHFFFAOYSA-N 1 0 432.568 3.935 50 0 IHAARO CCOC(=O)C1CC[NH+]([C@H](c2ccc(OCC)cc2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000024022932 557391643 /nfs/dbraw/zinc/39/16/43/557391643.db2.gz LAMUBALILGXUEJ-HSZRJFAPSA-N 1 0 442.556 3.645 50 0 IHAARO CC(C)c1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+](C)C)c3c2CCC3)cc1 ZINC000004851816 557396952 /nfs/dbraw/zinc/39/69/52/557396952.db2.gz HCJSUKADKVSDPO-UHFFFAOYSA-N 1 0 428.602 3.538 50 0 IHAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](CCSC)NC(=O)C1CCC(C)CC1 ZINC000103587115 557439731 /nfs/dbraw/zinc/43/97/31/557439731.db2.gz JGICMXVBUHVFAV-JSRAGOMMSA-N 1 0 425.683 3.821 50 0 IHAARO COc1ccc([C@@H](CNC(=O)C[N@H+](C[C@H]2CCOC2)C2CC2)c2c[nH]c3ccccc32)cc1 ZINC000105582712 557509054 /nfs/dbraw/zinc/50/90/54/557509054.db2.gz LIOZTIFAUAGVBI-NTKDMRAZSA-N 1 0 447.579 3.926 50 0 IHAARO CC[NH+](CC)CCCn1c2c(c(SCC(=O)Nc3cc(C)cc(C)c3)nc1=O)CCC2 ZINC000009746405 562976518 /nfs/dbraw/zinc/97/65/18/562976518.db2.gz QRRXPLUAWQTSPD-UHFFFAOYSA-N 1 0 442.629 3.812 50 0 IHAARO C[NH+](C)[C@@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccsc1 ZINC000025330834 568652585 /nfs/dbraw/zinc/65/25/85/568652585.db2.gz QSEULKAGVXIUQB-KRWDZBQOSA-N 1 0 426.508 3.797 50 0 IHAARO CCn1c2ccc(OC)cc2c(N2CCCC2=O)c1C(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000015681893 568806914 /nfs/dbraw/zinc/80/69/14/568806914.db2.gz TYKATWOFFRIAAB-GOSISDBHSA-N 1 0 440.588 3.648 50 0 IHAARO Cc1ccc(NC(=O)CN2CCN(C(=O)C[NH2+][C@@H](C)c3cccc4ccccc43)CC2)cc1 ZINC000012809426 568813846 /nfs/dbraw/zinc/81/38/46/568813846.db2.gz CLIHCHXEVFRHGL-NRFANRHFSA-N 1 0 444.579 3.582 50 0 IHAARO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1cc2ccccc2o1 ZINC000575621605 568883202 /nfs/dbraw/zinc/88/32/02/568883202.db2.gz PXWWHZKCSDYTMO-MRXNPFEDSA-N 1 0 435.402 3.689 50 0 IHAARO CC1CC[NH+](CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000006725287 568888720 /nfs/dbraw/zinc/88/87/20/568888720.db2.gz NIYPDIVOZPQQCN-FGZHOGPDSA-N 1 0 425.598 3.897 50 0 IHAARO CC1CC[NH+](CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000006725289 568888771 /nfs/dbraw/zinc/88/87/71/568888771.db2.gz NIYPDIVOZPQQCN-YADHBBJMSA-N 1 0 425.598 3.897 50 0 IHAARO CC(C)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12 ZINC000245246792 568913431 /nfs/dbraw/zinc/91/34/31/568913431.db2.gz OBUYDIXKFNSQRN-QLDGJZPUSA-N 1 0 444.318 3.574 50 0 IHAARO COc1ccc(OC)c(/C=C/C(=O)NCCN2CCC([N@H+](C)[C@@H]3CCCC[C@H]3C)CC2)c1 ZINC000036091406 568950675 /nfs/dbraw/zinc/95/06/75/568950675.db2.gz JBHCMNNNKJNDTL-OLUFXSETSA-N 1 0 443.632 3.808 50 0 IHAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C[C@@H](C)O ZINC000169677099 568989476 /nfs/dbraw/zinc/98/94/76/568989476.db2.gz LWWJOYCBEKARIC-OXQOHEQNSA-N 1 0 437.005 3.999 50 0 IHAARO CCOC[C@H](O)C[N@H+](CCC(C)C)Cc1c(-c2ccccc2F)noc1N1CCOCC1 ZINC000036313448 568998532 /nfs/dbraw/zinc/99/85/32/568998532.db2.gz JXKWPQQIJJPBLC-LJQANCHMSA-N 1 0 449.567 3.563 50 0 IHAARO CCc1nc(-c2ccccc2)nc(N2CC[NH+](C[C@@H](C)O)CC2)c1Cc1ccc(F)cc1 ZINC000036340810 569078473 /nfs/dbraw/zinc/07/84/73/569078473.db2.gz HJOZPBKDNSIENQ-LJQANCHMSA-N 1 0 434.559 3.939 50 0 IHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccc(OC)cc2)CC1 ZINC000036345105 569080471 /nfs/dbraw/zinc/08/04/71/569080471.db2.gz KOZWDIYFIOKUNU-VWLOTQADSA-N 1 0 434.584 3.627 50 0 IHAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1c2c(cn(-c3ccccc3)c1=O)C(=O)CC(C)(C)C2 ZINC000065000773 569085984 /nfs/dbraw/zinc/08/59/84/569085984.db2.gz XLTBPVLDQVRPLZ-SFHVURJKSA-N 1 0 435.568 3.597 50 0 IHAARO CCCCN(CC)C(=O)c1cc(NC(=O)c2cccc(Cl)c2)cnc1N1CC[NH2+]CC1 ZINC000065025435 569090545 /nfs/dbraw/zinc/09/05/45/569090545.db2.gz YZTWFZWNMBHHLV-UHFFFAOYSA-N 1 0 443.979 3.659 50 0 IHAARO CCN(C(=O)Cn1c(=O)c2c(nc1C(C)C)CC[N@@H+](Cc1ccccc1)C2)c1ccccc1 ZINC000065153603 569112122 /nfs/dbraw/zinc/11/21/22/569112122.db2.gz GYNICGFBJBINFP-UHFFFAOYSA-N 1 0 444.579 3.978 50 0 IHAARO Cc1ccc(C(=O)N2CCc3sc(C(=O)NCC[NH+]4CCCCCC4)cc3C2)cc1 ZINC000065201401 569116242 /nfs/dbraw/zinc/11/62/42/569116242.db2.gz NQZWTDRDNXHWND-UHFFFAOYSA-N 1 0 425.598 3.861 50 0 IHAARO Cc1noc(C)c1CC(=O)N1CCC[C@@]2(C1)Nc1cccnc1[NH+]=C2NCc1ccccc1 ZINC000065265704 569127130 /nfs/dbraw/zinc/12/71/30/569127130.db2.gz BALKMMQOMOYTQA-VWLOTQADSA-N 1 0 444.539 3.536 50 0 biogenic IHAARO COc1cc(OC)cc(C(=O)N2CCC3(CC2)Nc2cccnc2[NH+]=C3NC2CCCC2)c1 ZINC000065265673 569127132 /nfs/dbraw/zinc/12/71/32/569127132.db2.gz FJIPGSQZJZUBES-UHFFFAOYSA-N 1 0 449.555 3.762 50 0 biogenic IHAARO C[NH+](C)CCCNC(=O)C1CCN(c2nc3ccc(-c4ccc(F)cc4)nc3s2)CC1 ZINC000065272098 569128896 /nfs/dbraw/zinc/12/88/96/569128896.db2.gz XOIMKKNBMDOEIA-UHFFFAOYSA-N 1 0 441.576 3.782 50 0 IHAARO C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000065614912 569140274 /nfs/dbraw/zinc/14/02/74/569140274.db2.gz YZLXTBYHJROBQO-HXUWFJFHSA-N 1 0 434.367 3.976 50 0 IHAARO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCNc2cccc(Br)c2)cc1 ZINC000170593089 569141156 /nfs/dbraw/zinc/14/11/56/569141156.db2.gz ALFOLYFZMHYFMB-CQSZACIVSA-N 1 0 426.380 3.973 50 0 IHAARO O=C(COc1coc(C[NH+]2CCCC2)cc1=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000071287687 569150899 /nfs/dbraw/zinc/15/08/99/569150899.db2.gz BQXSLLBSGXJRPM-UHFFFAOYSA-N 1 0 430.810 3.925 50 0 IHAARO [NH2+]=C1NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=N[C@@H](c2c[nH]c3ccccc32)N1 ZINC000013579229 569156133 /nfs/dbraw/zinc/15/61/33/569156133.db2.gz JKYNLLBGEKWRCM-KRWDZBQOSA-N 1 0 446.458 3.831 50 0 IHAARO C[C@H]1CC[C@@H]2[N@@H+](C[C@@H]3[C@@H]4C[C@@H]5[C@H](CC(=O)[C@@H]6C[C@@H](O)CC[C@]56C)[C@@H]4CC[C@H]3[C@]2(C)O)C1 ZINC000252441161 569183665 /nfs/dbraw/zinc/18/36/65/569183665.db2.gz IQDIERHFZVCNRZ-KHRPZLCCSA-N 1 0 429.645 3.886 50 0 IHAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 ZINC000252517590 569189307 /nfs/dbraw/zinc/18/93/07/569189307.db2.gz MDRVZJZQLWPFPS-IBPRQYQWSA-N 1 0 436.600 3.584 50 0 biogenic IHAARO COc1cccc([C@@H](CNC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)[NH+]2CCCC2)c1 ZINC000027340452 569190752 /nfs/dbraw/zinc/19/07/52/569190752.db2.gz JMOAXVCMFYAHIU-XUZZJYLKSA-N 1 0 435.568 3.618 50 0 IHAARO CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000253416044 569266479 /nfs/dbraw/zinc/26/64/79/569266479.db2.gz QVKFMUNVGLIGNA-IPMKNSEASA-N 1 0 426.598 3.749 50 0 IHAARO CC[C@H](C)c1ccccc1OCC(=O)Nc1c[nH+]ccc1N1CCN(C(=O)OC)CC1 ZINC000253427735 569267508 /nfs/dbraw/zinc/26/75/08/569267508.db2.gz OBCSEIBAHPQLJU-KRWDZBQOSA-N 1 0 426.517 3.501 50 0 IHAARO COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)NCc2ccccc2)c1 ZINC000002393211 569298003 /nfs/dbraw/zinc/29/80/03/569298003.db2.gz KCWWJCGIVTXAJS-DNRSQYFGSA-N 1 0 438.568 3.688 50 0 IHAARO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000002453250 569305564 /nfs/dbraw/zinc/30/55/64/569305564.db2.gz MILNJVZYCPJSNJ-UJAPCULTSA-N 1 0 449.938 3.696 50 0 IHAARO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000013039303 569307827 /nfs/dbraw/zinc/30/78/27/569307827.db2.gz BCSTXEPDBPKFTC-CQSZACIVSA-N 1 0 443.491 3.553 50 0 IHAARO COc1cc(NC(=O)NCC2CC[NH+](Cc3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000013363861 569314126 /nfs/dbraw/zinc/31/41/26/569314126.db2.gz XUHAAOQVEPJEES-UHFFFAOYSA-N 1 0 431.508 3.885 50 0 IHAARO CCOC(=O)C1C(C[N@H+](C)C2CCCCC2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214656 569356519 /nfs/dbraw/zinc/35/65/19/569356519.db2.gz CAYIJTCVLCQPDW-QFIPXVFZSA-N 1 0 429.561 3.909 50 0 IHAARO O=C(O[C@H](C[NH+]1CCC2(CC1)OCCO2)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000020405418 569363799 /nfs/dbraw/zinc/36/37/99/569363799.db2.gz GXUWOBTUNBQOPU-CQSZACIVSA-N 1 0 427.341 3.632 50 0 IHAARO O=C(c1cc2c(s1)-c1ccccc1S(=O)(=O)C2)N1CCC([NH+]2CCCCC2)CC1 ZINC000020435988 569365378 /nfs/dbraw/zinc/36/53/78/569365378.db2.gz BHXURJGIBJQPFQ-UHFFFAOYSA-N 1 0 430.595 3.793 50 0 IHAARO COCc1ccccc1CNC(=O)C[NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000096012805 569380203 /nfs/dbraw/zinc/38/02/03/569380203.db2.gz RNJHUKRZWFPFGI-DEOSSOPVSA-N 1 0 446.526 3.969 50 0 IHAARO CSc1ccccc1C[NH+]1CCC(CNS(=O)(=O)c2ccc3c(c2)CCO3)CC1 ZINC000096098350 569381578 /nfs/dbraw/zinc/38/15/78/569381578.db2.gz QEHGRTBQDBMPHG-UHFFFAOYSA-N 1 0 432.611 3.534 50 0 IHAARO CCOc1ccc(-n2nc(C(=O)NCCC[NH+]3CCC(C)CC3)c3ccccc3c2=O)cc1 ZINC000002943924 569426899 /nfs/dbraw/zinc/42/68/99/569426899.db2.gz JUQXYIQFTDQOTN-UHFFFAOYSA-N 1 0 448.567 3.636 50 0 IHAARO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)/C=C/c2ccc3c(c2)OCO3)CC1 ZINC000058150994 569448920 /nfs/dbraw/zinc/44/89/20/569448920.db2.gz WUXGMAPRIXVLEN-MPNRVQBSSA-N 1 0 425.504 3.587 50 0 IHAARO COc1ccc([C@@H]2[C@H](C(=O)NCCC[NH+]3CCC(C)CC3)c3ccccc3C(=O)N2C)cc1 ZINC000003657954 569455883 /nfs/dbraw/zinc/45/58/83/569455883.db2.gz QUZIZVIOMDBHGG-JWQCQUIFSA-N 1 0 449.595 3.844 50 0 IHAARO CC[NH+](CC)[C@@H](CNC(=O)c1sc2ncn(C)c(=O)c2c1C)c1ccccc1Cl ZINC000032316999 569461221 /nfs/dbraw/zinc/46/12/21/569461221.db2.gz PTJALCDDFDOLHX-INIZCTEOSA-N 1 0 432.977 3.770 50 0 IHAARO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NCc3ccccn3)c(=O)cc21 ZINC000008740365 569472767 /nfs/dbraw/zinc/47/27/67/569472767.db2.gz SPIIPQORGSBXPM-FQEVSTJZSA-N 1 0 447.535 3.953 50 0 biogenic IHAARO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H](CC(C)C)[NH2+][C@]23C(=O)Nc2c3cccc2C)cc1 ZINC000008876814 569481164 /nfs/dbraw/zinc/48/11/64/569481164.db2.gz HDZYWSWSMAQIHL-UTAZYMRLSA-N 1 0 449.551 3.982 50 0 biogenic IHAARO CC(=O)c1cc(-c2ccccc2)n(CC(=O)N2CCC([N@H+](C)C[C@@H]3CCCO3)CC2)c1C ZINC000008911527 569484843 /nfs/dbraw/zinc/48/48/43/569484843.db2.gz MNLOECPZXLBKEH-QHCPKHFHSA-N 1 0 437.584 3.768 50 0 IHAARO Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)NCC[NH+]1CCCCCC1 ZINC000008965367 569491469 /nfs/dbraw/zinc/49/14/69/569491469.db2.gz CVVJXVLTRWJDOQ-UHFFFAOYSA-N 1 0 449.599 3.576 50 0 IHAARO Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccc(N2CCC[N@@H+](C)CC2)nc1 ZINC000040152049 569493357 /nfs/dbraw/zinc/49/33/57/569493357.db2.gz NYVQPSMDKVLNKI-UHFFFAOYSA-N 1 0 427.599 3.647 50 0 IHAARO C[N@@H+]1CCC[C@H]1CCNC(=O)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000040355795 569499786 /nfs/dbraw/zinc/49/97/86/569499786.db2.gz OUAYTLQMYWYUJU-LBPRGKRZSA-N 1 0 427.357 3.916 50 0 IHAARO O=C(NCCC[NH+]1CCCC1)c1csc(NC(=O)c2ccccc2C(F)(F)F)n1 ZINC000040355945 569499889 /nfs/dbraw/zinc/49/98/89/569499889.db2.gz VLJILHSLRTVWGA-UHFFFAOYSA-N 1 0 426.464 3.630 50 0 IHAARO C[C@@H]1CCCC[N@@H+]1CCCNc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl ZINC000009114403 569502578 /nfs/dbraw/zinc/50/25/78/569502578.db2.gz PNUDUSYOEXAYLM-CYBMUJFWSA-N 1 0 429.874 3.976 50 0 IHAARO CCN(CC)S(=O)(=O)c1ccc(NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)nc1 ZINC000009120189 569503767 /nfs/dbraw/zinc/50/37/67/569503767.db2.gz LLZNMVSXIGGXMF-QFIPXVFZSA-N 1 0 446.617 3.760 50 0 IHAARO C[C@H](Oc1ccc(C(=O)NCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cn1)c1ccccc1 ZINC000069621355 569509881 /nfs/dbraw/zinc/50/98/81/569509881.db2.gz XAQUWSHPQWWRIG-SQJMNOBHSA-N 1 0 444.579 3.940 50 0 IHAARO Cc1c(C(=O)NC2CCCC2)nnn1-c1cccc2c1CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000069656247 569511684 /nfs/dbraw/zinc/51/16/84/569511684.db2.gz MNKXZJFTBJXOQZ-UHFFFAOYSA-N 1 0 433.531 3.946 50 0 IHAARO CC[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Cn2ncc3c4ccccc4[nH]c3c2=O)o1 ZINC000009211344 569511785 /nfs/dbraw/zinc/51/17/85/569511785.db2.gz NLLUIYBWTVISEP-KRWDZBQOSA-N 1 0 447.539 3.552 50 0 IHAARO COc1ccc(-n2cc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)c3ccccc3c2=O)cc1 ZINC000009433785 569534628 /nfs/dbraw/zinc/53/46/28/569534628.db2.gz JRYOZDKQHMTEKB-LJQANCHMSA-N 1 0 433.552 3.994 50 0 IHAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)C1CCN(C(=O)c2cc3sccc3n2C)CC1 ZINC000009847812 569571164 /nfs/dbraw/zinc/57/11/64/569571164.db2.gz PKQGZZUECBCKNX-QZTJIDSGSA-N 1 0 444.645 3.861 50 0 IHAARO Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000010282917 569580439 /nfs/dbraw/zinc/58/04/39/569580439.db2.gz MXKXUZGVPIMBDZ-UHFFFAOYSA-N 1 0 430.552 3.974 50 0 IHAARO O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000071874876 569582646 /nfs/dbraw/zinc/58/26/46/569582646.db2.gz LNTLWKOGZRQNAX-MRXNPFEDSA-N 1 0 430.902 3.667 50 0 IHAARO O=C(Nc1c(F)c(F)c(F)c(F)c1F)[C@H]1C[C@H]2CCC[N@@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000020513145 569587076 /nfs/dbraw/zinc/58/70/76/569587076.db2.gz BQBSWMVKCVWNCO-LSMJOZQBSA-N 1 0 437.368 3.653 50 0 IHAARO Cc1ccc(-c2nnc(N3CCN(C(=O)C[NH+]4CCCCC4)CC3)c3ccccc32)cc1 ZINC000002211401 132249006 /nfs/dbraw/zinc/24/90/06/132249006.db2.gz CUIFMIUROHUWMX-UHFFFAOYSA-N 1 0 429.568 3.740 50 0 IHAARO Cc1ccc2c(c1)N(C(=O)CCC(=O)NC1CC[NH+](Cc3ccccc3)CC1)C[C@H](C)O2 ZINC000009286998 132312608 /nfs/dbraw/zinc/31/26/08/132312608.db2.gz WLXPDZWMKIWZOI-FQEVSTJZSA-N 1 0 435.568 3.670 50 0 IHAARO CCOC(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)COc2ccc(Cl)cc2)c1 ZINC000009908025 132331608 /nfs/dbraw/zinc/33/16/08/132331608.db2.gz CKZXYHTZJYEQMX-UHFFFAOYSA-N 1 0 445.947 3.676 50 0 IHAARO O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1)N1CCN(c2ccccc2)CC1 ZINC000009933461 132331932 /nfs/dbraw/zinc/33/19/32/132331932.db2.gz AXNWGTCMHWMUCQ-RUZDIDTESA-N 1 0 446.639 3.712 50 0 IHAARO O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011697942 132339242 /nfs/dbraw/zinc/33/92/42/132339242.db2.gz PYWABZLLCWKEJW-UHFFFAOYSA-N 1 0 428.418 3.596 50 0 IHAARO CC(=O)NC[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000012441481 519673512 /nfs/dbraw/zinc/67/35/12/519673512.db2.gz WEGHHFAQFURQOA-LJQANCHMSA-N 1 0 432.524 3.616 50 0 IHAARO CC(C)[NH+]1CCN(c2nc3nn(-c4cccc(F)c4)c(N)c3c(-c3ccc(F)cc3)n2)CC1 ZINC000035930150 519684860 /nfs/dbraw/zinc/68/48/60/519684860.db2.gz FONCUQYIEVNVBQ-UHFFFAOYSA-N 1 0 449.509 3.873 50 0 IHAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C2=Cc3cc(Cl)ccc3OC2)cc1 ZINC000012886685 520683413 /nfs/dbraw/zinc/68/34/13/520683413.db2.gz OAXILHGUSCMKOL-UHFFFAOYSA-N 1 0 427.932 3.826 50 0 IHAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2cnn(-c3nccc(-c4cc(C)sc4C)n3)c2C)C1 ZINC000012218951 520872474 /nfs/dbraw/zinc/87/24/74/520872474.db2.gz SLSHNPASUAGRFB-SFHVURJKSA-N 1 0 438.601 3.872 50 0 IHAARO CC1CC[NH+](CCCNC(=O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)CC1 ZINC000012737757 521006101 /nfs/dbraw/zinc/00/61/01/521006101.db2.gz YIWKVYGUGRLWJH-UHFFFAOYSA-N 1 0 442.560 3.502 50 0 IHAARO CCOC(=O)c1c(C)oc2ncnc(NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c21 ZINC000015727236 521402375 /nfs/dbraw/zinc/40/23/75/521402375.db2.gz KDQXDEBUGAGSGC-UHFFFAOYSA-N 1 0 443.935 3.595 50 0 IHAARO CCCn1c(CN2CC[NH+](CC)CC2)nc2cc(NC(=O)c3ccccc3OC)ccc21 ZINC000020678019 521628977 /nfs/dbraw/zinc/62/89/77/521628977.db2.gz NKXKSUPNMFGZAI-UHFFFAOYSA-N 1 0 435.572 3.845 50 0 IHAARO COc1c(C)cc(C(=O)[C@@H]2CCC[N@H+](Cc3cn(CC(N)=O)c4ccccc34)C2)cc1C ZINC000020859644 521791352 /nfs/dbraw/zinc/79/13/52/521791352.db2.gz DKZPPDWHCLETQV-LJQANCHMSA-N 1 0 433.552 3.847 50 0 IHAARO COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](CCCc1ccccc1)CC2 ZINC000014538940 523290468 /nfs/dbraw/zinc/29/04/68/523290468.db2.gz RQGWOEQFYPGXEU-UHFFFAOYSA-N 1 0 449.595 3.955 50 0 IHAARO COc1ccc(-n2cc(C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)c3ccccc3c2=O)cc1 ZINC000020508931 523326990 /nfs/dbraw/zinc/32/69/90/523326990.db2.gz SVNDLGDWQMMFGG-LJQANCHMSA-N 1 0 433.552 3.851 50 0 IHAARO COCCNC(=O)c1ccc(OC2CC[NH+]([C@@H](C)Cc3ccccn3)CC2)c(Cl)c1 ZINC000012460203 523926373 /nfs/dbraw/zinc/92/63/73/523926373.db2.gz NBABHWNZYWOCJX-KRWDZBQOSA-N 1 0 431.964 3.586 50 0 IHAARO COCCNC(=O)c1ccc(OC2CC[NH+]([C@@H](C)Cc3cccnc3)CC2)c(Cl)c1 ZINC000012449100 523926499 /nfs/dbraw/zinc/92/64/99/523926499.db2.gz SLQDFFNSQOHMSQ-KRWDZBQOSA-N 1 0 431.964 3.586 50 0 IHAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)CCc3[nH]nc4c3CCCC4)CC2)cc1 ZINC000012316671 523949499 /nfs/dbraw/zinc/94/94/99/523949499.db2.gz AYLLUWQPNDSZDT-UHFFFAOYSA-N 1 0 438.616 3.643 50 0 IHAARO COc1ccc(CN2C[C@@H]3C[C@@H](c4ccc(-n5cccn5)cc4)[N@@H+]4CCC[C@@]34C2=O)cc1 ZINC000012594798 524041576 /nfs/dbraw/zinc/04/15/76/524041576.db2.gz UPKYPKNAUNHKTQ-CVJWPJSTSA-N 1 0 428.536 3.819 50 0 IHAARO Cc1ccc(C)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c1 ZINC000012544767 524195408 /nfs/dbraw/zinc/19/54/08/524195408.db2.gz ZHVXWRYAWIYSPO-UHFFFAOYSA-N 1 0 427.492 3.875 50 0 IHAARO C[C@H](CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000035421907 524302934 /nfs/dbraw/zinc/30/29/34/524302934.db2.gz UIEZLQAXPBVRGI-GOSISDBHSA-N 1 0 447.501 3.773 50 0 IHAARO Cc1cccc(C[NH+]2CCC(O)(c3ccc4oc(C(=O)NC[C@H]5CCCO5)cc4c3)CC2)n1 ZINC000012152568 524391348 /nfs/dbraw/zinc/39/13/48/524391348.db2.gz DAMZOGGKUQBBDA-JOCHJYFZSA-N 1 0 449.551 3.529 50 0 IHAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cccc(-n3cccn3)c2)C1 ZINC000012757292 524409944 /nfs/dbraw/zinc/40/99/44/524409944.db2.gz TTWBRIJJYOULPG-NRFANRHFSA-N 1 0 432.568 3.908 50 0 IHAARO COc1ccccc1N1CCC(N2CC[N@H+](CCCc3ccccc3)[C@@H](CCO)C2)CC1 ZINC000022914361 524536779 /nfs/dbraw/zinc/53/67/79/524536779.db2.gz QIQMJLVVWDXKFF-VWLOTQADSA-N 1 0 437.628 3.665 50 0 IHAARO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3ccc(-n4cccn4)cc3)C2)CC1 ZINC000020452552 524559972 /nfs/dbraw/zinc/55/99/72/524559972.db2.gz AZKWZUHYGCCIQV-XMMPIXPASA-N 1 0 431.584 3.668 50 0 IHAARO C[C@@H](CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000035421906 524579942 /nfs/dbraw/zinc/57/99/42/524579942.db2.gz UIEZLQAXPBVRGI-SFHVURJKSA-N 1 0 447.501 3.773 50 0 IHAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000022847816 525076569 /nfs/dbraw/zinc/07/65/69/525076569.db2.gz OLZZJMIOJZGVBP-UHFFFAOYSA-N 1 0 436.600 3.803 50 0 IHAARO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)c3cc(-c4ccsc4)n[nH]3)C2)CC1 ZINC000020598601 525223048 /nfs/dbraw/zinc/22/30/48/525223048.db2.gz XWKCVXHJQFGLKD-FQEVSTJZSA-N 1 0 435.597 3.873 50 0 IHAARO COc1ccc([C@@H]2CCCCC[N@@H+]2Cc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000012751020 525242063 /nfs/dbraw/zinc/24/20/63/525242063.db2.gz GWMZYLIVAVXMJO-DEOSSOPVSA-N 1 0 444.597 3.833 50 0 IHAARO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000057381170 525607098 /nfs/dbraw/zinc/60/70/98/525607098.db2.gz FVLLPSGGVACGMG-NWDGAFQWSA-N 1 0 445.919 3.546 50 0 IHAARO Cc1ccnc(N2CCC(C(=O)NCC3CC[NH+](Cc4ccccc4Cl)CC3)CC2)n1 ZINC000035454496 525665162 /nfs/dbraw/zinc/66/51/62/525665162.db2.gz ZOMZVOIQYSVYSK-UHFFFAOYSA-N 1 0 442.007 3.683 50 0 IHAARO Cc1ccnc(N2CCC[C@H](C(=O)NCC3CC[NH+](Cc4cccc(Cl)c4)CC3)C2)n1 ZINC000035454372 525668237 /nfs/dbraw/zinc/66/82/37/525668237.db2.gz ZOAVGBHEOVNVHS-NRFANRHFSA-N 1 0 442.007 3.683 50 0 IHAARO COc1cccc(-c2nn(-c3ccccc3)cc2CN2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)c1 ZINC000020454807 525728531 /nfs/dbraw/zinc/72/85/31/525728531.db2.gz MLDKYYQTOXJGRI-RUZDIDTESA-N 1 0 446.595 3.969 50 0 IHAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2Cc2cnn(-c3cccc(OC)c3)c2)c1 ZINC000012038998 526017838 /nfs/dbraw/zinc/01/78/38/526017838.db2.gz ONNGJNQRDUEBTR-NRFANRHFSA-N 1 0 434.540 3.560 50 0 IHAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH2+]C4CCN(Cc5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000012859671 526238556 /nfs/dbraw/zinc/23/85/56/526238556.db2.gz NILKEYZRQOIGIQ-UTBBYCFHSA-N 1 0 438.612 3.526 50 0 biogenic IHAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)C1CCN(c2nccnc2Sc2ccccc2)CC1 ZINC000035461465 526249065 /nfs/dbraw/zinc/24/90/65/526249065.db2.gz UVTRYGOHBVLFIH-IBGZPJMESA-N 1 0 439.629 3.835 50 0 IHAARO Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)CCS(=O)(=O)c3ccccc3)sc2c1 ZINC000012140917 526251312 /nfs/dbraw/zinc/25/13/12/526251312.db2.gz QEBDMNRFMNRQOK-UHFFFAOYSA-N 1 0 445.610 3.753 50 0 IHAARO O=C(NCC[N@@H+]1CC[C@@H](c2ccccc2)C1)c1cc(COc2c(F)cccc2F)on1 ZINC000012372878 526322230 /nfs/dbraw/zinc/32/22/30/526322230.db2.gz JNPLFWUUTSBIMC-QGZVFWFLSA-N 1 0 427.451 3.751 50 0 IHAARO O=C(CC[C@H]1CCC[N@@H+](Cc2ccc(OCCO)cc2)C1)NCc1ccc(F)c(F)c1 ZINC000012459690 526570318 /nfs/dbraw/zinc/57/03/18/526570318.db2.gz WQKKDYMORHSYON-GOSISDBHSA-N 1 0 432.511 3.645 50 0 IHAARO O=C(c1ccccc1OC1CC[NH+](Cc2ccc(OCCO)cc2)CC1)N1CCCCC1 ZINC000012372805 526811059 /nfs/dbraw/zinc/81/10/59/526811059.db2.gz QDNVLYPIMNHIQJ-UHFFFAOYSA-N 1 0 438.568 3.727 50 0 IHAARO O=C(c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000022781306 526863051 /nfs/dbraw/zinc/86/30/51/526863051.db2.gz YRVNBIWAJHGYKH-UHFFFAOYSA-N 1 0 447.558 3.532 50 0 IHAARO O=C(COc1ccccc1)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012441186 526981017 /nfs/dbraw/zinc/98/10/17/526981017.db2.gz DIAMRVBMXCTPDL-HHHXNRCGSA-N 1 0 448.607 3.952 50 0 IHAARO Cn1cc(CC[NH2+][C@@H]2CCc3c(sc4ncn(CCCc5ccccc5)c(=O)c34)C2)cn1 ZINC000012182703 527194302 /nfs/dbraw/zinc/19/43/02/527194302.db2.gz HBYVNGQPUPADQS-HXUWFJFHSA-N 1 0 447.608 3.514 50 0 IHAARO O=S(=O)(N[C@H]1CCCC[C@H]1N1CC[NH+](C2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000020441728 527242697 /nfs/dbraw/zinc/24/26/97/527242697.db2.gz KSXFVFBADVPBKS-FCHUYYIVSA-N 1 0 440.053 3.880 50 0 IHAARO O=C(Nc1ccnn1C1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1)c1cccnc1 ZINC000012572317 527461566 /nfs/dbraw/zinc/46/15/66/527461566.db2.gz KEOQONKOVPVPKM-UHFFFAOYSA-N 1 0 427.512 3.553 50 0 IHAARO Cn1nc2nc(N3CCC([NH+]4CCCCC4)CC3)nc(-c3ccccc3Cl)c2c1N ZINC000035929831 527562796 /nfs/dbraw/zinc/56/27/96/527562796.db2.gz GGBNXYMZBUHGHM-UHFFFAOYSA-N 1 0 425.968 3.721 50 0 IHAARO NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000001996117 555727165 /nfs/dbraw/zinc/72/71/65/555727165.db2.gz HXGBXQDTNZMWGS-RUZDIDTESA-N 1 0 426.560 3.958 50 0 fda IHAARO CC(C)CNC(=O)c1coc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000034684532 555820147 /nfs/dbraw/zinc/82/01/47/555820147.db2.gz QTFAIDXDGUREHY-UHFFFAOYSA-N 1 0 432.568 3.968 50 0 IHAARO CC[NH+](CC)CCCNC(=O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 ZINC000002997081 555876349 /nfs/dbraw/zinc/87/63/49/555876349.db2.gz JBASNHDIWKKDSS-UHFFFAOYSA-N 1 0 445.489 3.975 50 0 IHAARO COCCN(C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000034740538 555883632 /nfs/dbraw/zinc/88/36/32/555883632.db2.gz RSJXFMKCAQJGIB-NZQKXSOJSA-N 1 0 448.966 3.816 50 0 IHAARO COCCN(C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000034740539 555883666 /nfs/dbraw/zinc/88/36/66/555883666.db2.gz RSJXFMKCAQJGIB-NFBKMPQASA-N 1 0 448.966 3.816 50 0 IHAARO CCNC(=O)N(CCC(C)C)Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1 ZINC000034832203 555912912 /nfs/dbraw/zinc/91/29/12/555912912.db2.gz XGQORXNZFCZRRA-UHFFFAOYSA-N 1 0 440.636 3.900 50 0 IHAARO CC[NH+]1CCN(c2c(CN(C(=O)C(C)C)C3CC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034835572 555913793 /nfs/dbraw/zinc/91/37/93/555913793.db2.gz YZCKROZBHLMJOZ-UHFFFAOYSA-N 1 0 427.568 3.609 50 0 IHAARO O=C(NCC[NH+]1CCCC1)C1CCN(c2nc3ccccc3n2CCc2ccccc2)CC1 ZINC000034910092 555923055 /nfs/dbraw/zinc/92/30/55/555923055.db2.gz IUERNFUKNWBCBW-UHFFFAOYSA-N 1 0 445.611 3.707 50 0 IHAARO CCCC(=O)N1CCC([NH+]2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)CC1 ZINC000034912361 555934204 /nfs/dbraw/zinc/93/42/04/555934204.db2.gz GDNGICSCLDVNJE-UHFFFAOYSA-N 1 0 439.644 3.971 50 0 IHAARO O=S(=O)(c1ccc2ccccc2c1)N1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000004142992 555967955 /nfs/dbraw/zinc/96/79/55/555967955.db2.gz QPHSFTYRIDFEGI-UHFFFAOYSA-N 1 0 449.620 3.811 50 0 IHAARO COc1cc(COC[C@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)cc(OC)c1OC ZINC000005029106 556029328 /nfs/dbraw/zinc/02/93/28/556029328.db2.gz NANKYEPWTSKDJD-JOCHJYFZSA-N 1 0 429.557 3.545 50 0 IHAARO CCc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCCC[NH+](C)C)c3n2)s1 ZINC000002808199 556146639 /nfs/dbraw/zinc/14/66/39/556146639.db2.gz GWDBKSLHFRLQIM-UHFFFAOYSA-N 1 0 425.480 3.721 50 0 IHAARO O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000008744886 556208410 /nfs/dbraw/zinc/20/84/10/556208410.db2.gz WBONXELAOXVWAY-UHFFFAOYSA-N 1 0 427.548 3.864 50 0 IHAARO O=C(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1cc(Br)c[nH]1 ZINC000097590248 556271109 /nfs/dbraw/zinc/27/11/09/556271109.db2.gz YDJFOLQDMIJXLM-UHFFFAOYSA-N 1 0 426.742 3.704 50 0 IHAARO CC(=O)c1ccc(OCC(=O)N(C)CC2CC[NH+](CCc3cccc(F)c3)CC2)cc1 ZINC000011761657 556349166 /nfs/dbraw/zinc/34/91/66/556349166.db2.gz KHFHQEJPSUYBDM-UHFFFAOYSA-N 1 0 426.532 3.820 50 0 IHAARO CN(C(=O)CC[C@H]1CCCN(C(=O)CCCc2ccc(F)cc2)C1)C1CC[NH+](C)CC1 ZINC000011814555 556357957 /nfs/dbraw/zinc/35/79/57/556357957.db2.gz XZLXJHSZMKTGHC-OAQYLSRUSA-N 1 0 431.596 3.720 50 0 IHAARO CCn1c(CN2CC[NH+](CC)CC2)nc2cc(NC(=O)COc3cccc(C)c3)ccc21 ZINC000022936204 556448286 /nfs/dbraw/zinc/44/82/86/556448286.db2.gz FFMPEYWZQSFDMY-UHFFFAOYSA-N 1 0 435.572 3.520 50 0 IHAARO Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3o2)[NH+](C)C)cc1 ZINC000028290121 556449604 /nfs/dbraw/zinc/44/96/04/556449604.db2.gz XGOSDESYGGDRHH-KRWDZBQOSA-N 1 0 429.314 3.897 50 0 IHAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3cccc4nccnc34)CC2)O1)c1cccc(F)c1 ZINC000014884830 556454629 /nfs/dbraw/zinc/45/46/29/556454629.db2.gz BGSSZVSBECELLG-NRFANRHFSA-N 1 0 434.515 3.713 50 0 IHAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](C3CSCCSC3)C2)c(OC)c1 ZINC000014949210 556460151 /nfs/dbraw/zinc/46/01/51/556460151.db2.gz CPMWHNNVTGRCPU-QGZVFWFLSA-N 1 0 438.659 3.661 50 0 IHAARO C[N@H+](CCc1ccccc1)Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(=O)[nH]1 ZINC000014965122 556465401 /nfs/dbraw/zinc/46/54/01/556465401.db2.gz FYFVPHAYBLEVHM-UHFFFAOYSA-N 1 0 443.469 3.998 50 0 IHAARO CCc1ccc(C[NH+]2CCC(O)(c3ccc4oc(C(=O)N5CCOCC5)cc4c3)CC2)cc1 ZINC000014965019 556465428 /nfs/dbraw/zinc/46/54/28/556465428.db2.gz PENVMPSLWQFOMV-UHFFFAOYSA-N 1 0 448.563 3.951 50 0 IHAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)c1ccc(C(C)=O)cc1 ZINC000014967074 556465779 /nfs/dbraw/zinc/46/57/79/556465779.db2.gz GPEWTSGTIRFJQU-UHFFFAOYSA-N 1 0 438.568 3.899 50 0 IHAARO CO[C@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2cccc3c2OCO3)CC1)c1ccccc1 ZINC000014973278 556467351 /nfs/dbraw/zinc/46/73/51/556467351.db2.gz FPYPKJIMMNNYBL-DEOSSOPVSA-N 1 0 448.523 3.775 50 0 IHAARO C[N@H+](C1CCOCC1)C1CCN(c2ccc(C(=O)NCc3ccccc3F)cc2)CC1 ZINC000014987852 556473312 /nfs/dbraw/zinc/47/33/12/556473312.db2.gz HHJVILVMAIETDJ-UHFFFAOYSA-N 1 0 425.548 3.835 50 0 IHAARO COC(=O)c1ccc(-c2cc(Cl)cc3c2O[C@@H](CNC(=O)[C@H]2CCC[N@H+](C)C2)C3)cc1 ZINC000014990501 556474828 /nfs/dbraw/zinc/47/48/28/556474828.db2.gz PICGRHHWTZQRLR-FXAWDEMLSA-N 1 0 442.943 3.555 50 0 IHAARO CC(C)Oc1ccc(F)cc1NC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000072289449 556485617 /nfs/dbraw/zinc/48/56/17/556485617.db2.gz GGUDTDUQNUATDV-UHFFFAOYSA-N 1 0 436.572 3.561 50 0 IHAARO CCCn1ncc(C[NH+]2CCC(Oc3ccc(C(=O)NCCOC)cc3Cl)CC2)c1C ZINC000015075576 556499121 /nfs/dbraw/zinc/49/91/21/556499121.db2.gz ZHTXYEMUKSELAK-UHFFFAOYSA-N 1 0 448.995 3.675 50 0 IHAARO COc1cc(C[C@@H]2CC(C[NH2+]CCc3ccc(Cl)cc3)=NO2)c(OC)c2c1OCO2 ZINC000015081391 556501075 /nfs/dbraw/zinc/50/10/75/556501075.db2.gz UNBXFNZBWGRPDV-GOSISDBHSA-N 1 0 432.904 3.606 50 0 IHAARO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+]C[C@H](C(C)C)N1CCOCC1)c1ccccc1 ZINC000032900795 556535084 /nfs/dbraw/zinc/53/50/84/556535084.db2.gz PVXBBZABLPWDGG-VWNXMTODSA-N 1 0 425.573 3.630 50 0 IHAARO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016011915 556574253 /nfs/dbraw/zinc/57/42/53/556574253.db2.gz MACMDJRTEKINSG-BINBFKAUSA-N 1 0 449.938 3.642 50 0 IHAARO O=C(Nc1ccnn1C1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1)c1cccnc1 ZINC000020207078 556576988 /nfs/dbraw/zinc/57/69/88/556576988.db2.gz GIRLHKCJTXRGOF-UHFFFAOYSA-N 1 0 427.512 3.553 50 0 IHAARO CCN(C[C@@H]1CCCO1)C(=O)C1CC[NH+](C2CCN(Cc3ccccc3C)CC2)CC1 ZINC000036383449 556597766 /nfs/dbraw/zinc/59/77/66/556597766.db2.gz CANMKGVRDHBYSB-VWLOTQADSA-N 1 0 427.633 3.699 50 0 IHAARO O=C(c1ccc(I)cc1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000032914662 556607712 /nfs/dbraw/zinc/60/77/12/556607712.db2.gz PSFHWUVJLRRSKD-UHFFFAOYSA-N 1 0 426.323 3.701 50 0 IHAARO O=C(CCCc1nnc(C(=O)Nc2ccccc2)s1)N1CC[NH+](C2CCCCC2)CC1 ZINC000032995269 556610389 /nfs/dbraw/zinc/61/03/89/556610389.db2.gz VMUCJOJRDXMKKX-UHFFFAOYSA-N 1 0 441.601 3.590 50 0 IHAARO COc1cccc(C(=O)N(Cc2ccccc2)c2ccc(CC(=O)NCC[NH+](C)C)cc2)c1 ZINC000037555468 556644448 /nfs/dbraw/zinc/64/44/48/556644448.db2.gz YOEVRNYDTVOYMI-UHFFFAOYSA-N 1 0 445.563 3.763 50 0 IHAARO Cc1cc(Br)ccc1NC(=O)CC[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000252478910 556689887 /nfs/dbraw/zinc/68/98/87/556689887.db2.gz AXDJJZAGLQFOHO-CQSZACIVSA-N 1 0 440.382 3.931 50 0 IHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCCn1c(=O)c2cccn2c2ccc(F)cc21 ZINC000033031751 556711601 /nfs/dbraw/zinc/71/16/01/556711601.db2.gz QNSYFYVCQBFALM-GOSISDBHSA-N 1 0 426.536 3.554 50 0 IHAARO COc1ccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)c(OC)c1C ZINC000019227144 556716955 /nfs/dbraw/zinc/71/69/55/556716955.db2.gz QKYJEHJWRMHQLK-QFIPXVFZSA-N 1 0 439.600 3.807 50 0 IHAARO COc1ccccc1[C@H](CNC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1)[NH+]1CCCC1 ZINC000057996964 556751789 /nfs/dbraw/zinc/75/17/89/556751789.db2.gz QTYHVXXJYUAWCF-FQEVSTJZSA-N 1 0 425.504 3.506 50 0 IHAARO COc1ccccc1[C@@H](CNC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1)[NH+]1CCCC1 ZINC000057996962 556751895 /nfs/dbraw/zinc/75/18/95/556751895.db2.gz QTYHVXXJYUAWCF-HXUWFJFHSA-N 1 0 425.504 3.506 50 0 IHAARO C[N@@H+]1CCCN(c2ccc(NC(=O)N(Cc3cccnc3)C[C@@H]3CCCO3)cc2F)CC1 ZINC000058155378 556762563 /nfs/dbraw/zinc/76/25/63/556762563.db2.gz PHSGHIQKKSBVIU-NRFANRHFSA-N 1 0 441.551 3.576 50 0 IHAARO COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000062001484 556764439 /nfs/dbraw/zinc/76/44/39/556764439.db2.gz OINYFMGDWDKGKK-UHFFFAOYSA-N 1 0 434.536 3.823 50 0 biogenic IHAARO O=C(NCc1cccc(O)c1)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000058201680 556771043 /nfs/dbraw/zinc/77/10/43/556771043.db2.gz CUFFZWGDVXLFFS-UHFFFAOYSA-N 1 0 430.552 3.714 50 0 IHAARO O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000058289445 556777486 /nfs/dbraw/zinc/77/74/86/556777486.db2.gz DGEQSYKBYKMGAO-KRWDZBQOSA-N 1 0 426.483 3.634 50 0 IHAARO CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000059057579 556794561 /nfs/dbraw/zinc/79/45/61/556794561.db2.gz AJDUPXGDEZQTMY-KDURUIRLSA-N 1 0 428.598 3.888 50 0 IHAARO COCC[N@@H+]1CCc2nc(SCc3nc(-c4cccc(C)c4)oc3C)[nH]c(=O)c2C1 ZINC000033141645 556877977 /nfs/dbraw/zinc/87/79/77/556877977.db2.gz IZSNSNSCCDKFQJ-UHFFFAOYSA-N 1 0 426.542 3.751 50 0 IHAARO COc1cc(=O)n2c(c1C(=O)NCc1ccco1)CC[N@@H+](Cc1ccc(C(C)C)cc1)CC2 ZINC000019839033 556929165 /nfs/dbraw/zinc/92/91/65/556929165.db2.gz JHYNBHQQBBZWCP-UHFFFAOYSA-N 1 0 449.551 3.562 50 0 IHAARO CCCOc1ccc(N2C(=O)C[C@H]([NH2+]CCOC34CC5CC(CC(C5)C3)C4)C2=O)cc1 ZINC000019848208 556930155 /nfs/dbraw/zinc/93/01/55/556930155.db2.gz CDVAYEKBEIKJNT-KIZRYQFWSA-N 1 0 426.557 3.682 50 0 IHAARO CCCCc1cc(=O)oc2cc(OCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)ccc12 ZINC000043746939 557012976 /nfs/dbraw/zinc/01/29/76/557012976.db2.gz VURQDAYVZPVYMN-UGKGYDQZSA-N 1 0 426.557 3.895 50 0 IHAARO CCOC(=O)c1[nH]c(C)c(CCC(=O)Nc2ccc(CN3CC[NH+](CC)CC3)cc2)c1C ZINC000046046104 557025815 /nfs/dbraw/zinc/02/58/15/557025815.db2.gz ICLZRSPCBZUYKC-UHFFFAOYSA-N 1 0 440.588 3.517 50 0 IHAARO Cc1cc2nc(C(F)(F)F)c(=O)n([C@@H](C)C(=O)NCC[NH+]3CCCCCC3)c2cc1C ZINC000032945091 557028385 /nfs/dbraw/zinc/02/83/85/557028385.db2.gz ZWUILGUHYOWQMK-INIZCTEOSA-N 1 0 438.494 3.585 50 0 IHAARO Cc1sc2nc(CN3CCOCC3)nc(N(C)CC[N@H+](C)C3CCCCC3)c2c1C ZINC000048311624 557061237 /nfs/dbraw/zinc/06/12/37/557061237.db2.gz PTDQITSREBVAED-UHFFFAOYSA-N 1 0 431.650 3.841 50 0 IHAARO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000048344947 557071893 /nfs/dbraw/zinc/07/18/93/557071893.db2.gz HXGRLZKKKAMPGO-HXUWFJFHSA-N 1 0 429.561 3.626 50 0 IHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3ccc(CS(C)(=O)=O)cc3)cc2)C1 ZINC000048345521 557071930 /nfs/dbraw/zinc/07/19/30/557071930.db2.gz CGIYGEGRUZOOEC-KDURUIRLSA-N 1 0 428.598 3.639 50 0 IHAARO CN(C)C(=O)c1ccc(N2CCC([NH2+]CCN3CCC[C@@H](c4ccccc4)C3)CC2)cc1 ZINC000023362990 557088041 /nfs/dbraw/zinc/08/80/41/557088041.db2.gz PZZWJVCJTUNSNF-XMMPIXPASA-N 1 0 434.628 3.826 50 0 IHAARO COc1ccc([C@@H](C(=O)NCC(C)(C)[NH+]2CCCCC2)N2Cc3ccccc3C2=O)cc1 ZINC000033313873 557098599 /nfs/dbraw/zinc/09/85/99/557098599.db2.gz FVUYQVGBPLHQQO-QHCPKHFHSA-N 1 0 435.568 3.773 50 0 IHAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000026567666 557245197 /nfs/dbraw/zinc/24/51/97/557245197.db2.gz JHKXOVUXEFIKDS-NRFANRHFSA-N 1 0 442.563 3.892 50 0 IHAARO O=C1C[C@@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccccc1F ZINC000100560606 557264571 /nfs/dbraw/zinc/26/45/71/557264571.db2.gz LZEJBMNRSOWFDU-XMMPIXPASA-N 1 0 443.522 3.865 50 0 IHAARO CCCCOc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000100578524 557265416 /nfs/dbraw/zinc/26/54/16/557265416.db2.gz RTDDPMYYEPOSFM-QFIPXVFZSA-N 1 0 441.959 3.973 50 0 IHAARO Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000027593056 557267174 /nfs/dbraw/zinc/26/71/74/557267174.db2.gz SPJARLJIXSHKLC-LJQANCHMSA-N 1 0 427.549 3.864 50 0 IHAARO CN1c2ccccc2[C@]2(Nc3ccccc3C(=O)N2C[C@@H](c2cccs2)[NH+](C)C)C1=O ZINC000101643052 557292171 /nfs/dbraw/zinc/29/21/71/557292171.db2.gz CJWHWJASGPDMJK-GBXCKJPGSA-N 1 0 432.549 3.748 50 0 IHAARO CCOCCC[N@@H+]1CC[C@@H](NCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@@H](C)C1 ZINC000221892651 557327142 /nfs/dbraw/zinc/32/71/42/557327142.db2.gz CCMPERODMHCLKH-PGRDOPGGSA-N 1 0 448.007 3.943 50 0 IHAARO COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CC[NH+](Cc2ccco2)CC3)cc1 ZINC000014532303 557339680 /nfs/dbraw/zinc/33/96/80/557339680.db2.gz RAGHUEUAXSVQAR-UHFFFAOYSA-N 1 0 439.556 3.786 50 0 IHAARO COCCC[N@@H+](Cc1cccn1Cc1cccc(F)c1)C[C@H](O)COCc1ccco1 ZINC000004926402 557408775 /nfs/dbraw/zinc/40/87/75/557408775.db2.gz AOJGTSGWMVILBJ-QHCPKHFHSA-N 1 0 430.520 3.685 50 0 IHAARO CC[NH+](CC)[C@H]1CCN([C@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)C1 ZINC000106920891 557533178 /nfs/dbraw/zinc/53/31/78/557533178.db2.gz OKHZJUBWCHQKPM-NQIIRXRSSA-N 1 0 438.572 3.691 50 0 IHAARO CC[NH+](CC)[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)C1 ZINC000106920889 557533247 /nfs/dbraw/zinc/53/32/47/557533247.db2.gz OKHZJUBWCHQKPM-WIYYLYMNSA-N 1 0 438.572 3.691 50 0 IHAARO CN1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@@]12C(=O)Nc1ccccc12 ZINC000107175824 557535133 /nfs/dbraw/zinc/53/51/33/557535133.db2.gz QCQZDWILBXABDO-LZECLLPCSA-N 1 0 444.462 3.930 50 0 IHAARO C[C@H]1C[N@H+](CCc2cccc(NC(=O)[C@H](c3ccccc3F)N3CCOCC3)c2)C[C@H]1C ZINC000108169083 557541675 /nfs/dbraw/zinc/54/16/75/557541675.db2.gz OQEVALRCYGSVKT-DFIYOIEZSA-N 1 0 439.575 3.968 50 0 IHAARO C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000225425257 557722022 /nfs/dbraw/zinc/72/20/22/557722022.db2.gz YQIQWAGRBBNPKN-VUCTXSBTSA-N 1 0 431.346 3.996 50 0 IHAARO N=c1n(CC[NH+]2CCCCC2)c2ccccc2n1C[C@H](O)c1cccc(Br)c1 ZINC000001157902 562920634 /nfs/dbraw/zinc/92/06/34/562920634.db2.gz BGNXMDRDUPEAQZ-NRFANRHFSA-N 1 0 443.389 3.904 50 0 IHAARO COc1ccc(C(=O)N[C@@H](C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C(C)C)cc1 ZINC000006942273 562948620 /nfs/dbraw/zinc/94/86/20/562948620.db2.gz TVKAGLBOJOYIEV-JOCHJYFZSA-N 1 0 429.605 3.755 50 0 IHAARO C[NH+](C)CCN(C(=O)COc1ccc(Cl)cc1)c1nc2cc3c(cc2s1)OCO3 ZINC000009604045 562974016 /nfs/dbraw/zinc/97/40/16/562974016.db2.gz IDXSYLVKZBFVNC-UHFFFAOYSA-N 1 0 433.917 3.652 50 0 IHAARO CCOc1ccccc1/C=C/C(=O)NCC(=O)N1CCC([N@H+](C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000015937169 563019196 /nfs/dbraw/zinc/01/91/96/563019196.db2.gz SUUGECADHQEDGQ-SIJCWRCSSA-N 1 0 441.616 3.716 50 0 IHAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N(C)Cc2cc(C)n[nH]2)c1 ZINC000012301182 568612933 /nfs/dbraw/zinc/61/29/33/568612933.db2.gz YYMYQBUDBPXOSG-UHFFFAOYSA-N 1 0 426.561 3.785 50 0 IHAARO C[NH+]1CCC2(CC1)C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)c1ccccc1O2 ZINC000031583807 568740719 /nfs/dbraw/zinc/74/07/19/568740719.db2.gz AWXQVUPFELIPBB-KRWDZBQOSA-N 1 0 440.487 3.972 50 0 IHAARO Cc1ccc(F)c(C[NH2+]C2CCN(c3ccc(C(=O)N4CCC[C@@H](O)C4)cc3)CC2)c1F ZINC000299756355 568755485 /nfs/dbraw/zinc/75/54/85/568755485.db2.gz GNWTWJKCMHIKDM-OAQYLSRUSA-N 1 0 443.538 3.629 50 0 IHAARO COc1ccc(OC)c([C@@H](C)NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000248382274 568782579 /nfs/dbraw/zinc/78/25/79/568782579.db2.gz WJGNMVSIQBRJAI-UTKZUKDTSA-N 1 0 440.540 3.879 50 0 IHAARO CC[NH+](CC)[C@@H](CNC(=O)CSc1nc2ccccc2n1CCOC)c1ccco1 ZINC000084771093 568800985 /nfs/dbraw/zinc/80/09/85/568800985.db2.gz CBBQLGSIPUJUPX-IBGZPJMESA-N 1 0 430.574 3.567 50 0 IHAARO C[C@@]1(C(=O)NC2CCCCC2)Cn2c3ccoc3cc2C(=O)N1CC[NH+]1CCCCCC1 ZINC000015675396 568803796 /nfs/dbraw/zinc/80/37/96/568803796.db2.gz JQFFSLZZXLVUCC-VWLOTQADSA-N 1 0 440.588 3.774 50 0 IHAARO CCn1c2ccc(F)cc2c(N2CCCC2=O)c1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000015681864 568806941 /nfs/dbraw/zinc/80/69/41/568806941.db2.gz QCVXFUJFNAKDGH-KRWDZBQOSA-N 1 0 428.552 3.921 50 0 IHAARO CC[N@H+](CCCNS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)CS2)Cc1ccccc1 ZINC000015731146 568814640 /nfs/dbraw/zinc/81/46/40/568814640.db2.gz FXNYRLXZKLGKHB-QGZVFWFLSA-N 1 0 447.626 3.557 50 0 IHAARO O=C(NCCC[NH+]1CCCCCC1)C1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000015734874 568816374 /nfs/dbraw/zinc/81/63/74/568816374.db2.gz YVGZYOWZRWFJFA-UHFFFAOYSA-N 1 0 427.618 3.804 50 0 IHAARO CCOC(=O)c1c(C)[nH]c(CCC(=O)NCC[NH+]2CCC(Cc3ccccc3)CC2)c1C ZINC000085698080 568834722 /nfs/dbraw/zinc/83/47/22/568834722.db2.gz UHCUMQBYYGGCEZ-UHFFFAOYSA-N 1 0 439.600 3.812 50 0 IHAARO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21 ZINC000245309042 568914262 /nfs/dbraw/zinc/91/42/62/568914262.db2.gz ACYAAMZDIOLPGK-WTGUMLROSA-N 1 0 437.293 3.554 50 0 IHAARO COc1ccc(C[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C[C@H]2CCCO2)cc1OC ZINC000036096098 568951153 /nfs/dbraw/zinc/95/11/53/568951153.db2.gz BTTKWFHJAVCJMO-PZJWPPBQSA-N 1 0 435.948 3.778 50 0 IHAARO COc1cccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COCc2ccco2)c1 ZINC000036098465 568951823 /nfs/dbraw/zinc/95/18/23/568951823.db2.gz RLCDQNDMSQBVCJ-HXUWFJFHSA-N 1 0 425.481 3.597 50 0 IHAARO Cc1nc2cc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)ccc2n(Cc2ccccc2)c1=O ZINC000064859398 568972432 /nfs/dbraw/zinc/97/24/32/568972432.db2.gz SVJCMVLMHCXHKJ-LJQANCHMSA-N 1 0 432.568 3.748 50 0 IHAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C[C@@H](O)CC ZINC000169680318 568990727 /nfs/dbraw/zinc/99/07/27/568990727.db2.gz DBTGVEJIBLUZCK-PGRDOPGGSA-N 1 0 446.613 3.744 50 0 IHAARO CC(C)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C[C@H](C)O ZINC000036309562 568996413 /nfs/dbraw/zinc/99/64/13/568996413.db2.gz RVOIEJHYSPVKGM-UWJYYQICSA-N 1 0 434.577 3.731 50 0 IHAARO CCC[C@H](O)C[N@H+](CC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC ZINC000036309996 568996447 /nfs/dbraw/zinc/99/64/47/568996447.db2.gz XKQXBFCDSGDCQY-ICSRJNTNSA-N 1 0 446.613 3.744 50 0 IHAARO COCc1nc(-c2ccccc2)nc(N2CC[NH+](C[C@@H](C)O)CC2)c1Cc1ccc(C)cc1 ZINC000036340050 569078805 /nfs/dbraw/zinc/07/88/05/569078805.db2.gz XFXDYSOLLZSNTP-OAQYLSRUSA-N 1 0 446.595 3.692 50 0 IHAARO CCc1ccc(-n2nnc(C(=O)N3CCC([NH+]4CCCCC4)CC3)c2-c2ccncc2)cc1 ZINC000065083222 569102202 /nfs/dbraw/zinc/10/22/02/569102202.db2.gz GFEZUMMTVHCDJZ-UHFFFAOYSA-N 1 0 444.583 3.982 50 0 IHAARO CCC[NH+]1CCN(C(=O)Cn2c(C)cc(-c3nc(-c4ccc(F)cc4)no3)c2C)CC1 ZINC000065195016 569115346 /nfs/dbraw/zinc/11/53/46/569115346.db2.gz XLUQAPIURZKPKW-UHFFFAOYSA-N 1 0 425.508 3.515 50 0 IHAARO Cn1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc2c1CCN(Cc1cccc(F)c1)C2 ZINC000065211112 569116453 /nfs/dbraw/zinc/11/64/53/569116453.db2.gz ZFOIRKIBMCJIFW-UHFFFAOYSA-N 1 0 438.591 3.813 50 0 IHAARO CCCC[NH+]1CCN(C(=O)c2ccc3c(c2)Sc2ncccc2C(=O)N3C2CC2)CC1 ZINC000065241492 569120990 /nfs/dbraw/zinc/12/09/90/569120990.db2.gz VUDCYZPEGCPIHC-UHFFFAOYSA-N 1 0 436.581 3.913 50 0 IHAARO Cc1cccc(NC(=O)N2CCC(C(=O)NCc3ccc(C[NH+](C)C)c(F)c3)CC2)c1 ZINC000089672813 569161094 /nfs/dbraw/zinc/16/10/94/569161094.db2.gz MXCOPMGROWYBNX-UHFFFAOYSA-N 1 0 426.536 3.756 50 0 IHAARO O=C(CCN1C(=S)N=NC1c1cccs1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000014701614 569168495 /nfs/dbraw/zinc/16/84/95/569168495.db2.gz PBTLYSFTHAHRJQ-UHFFFAOYSA-N 1 0 441.626 3.988 50 0 IHAARO COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000009268620 569176801 /nfs/dbraw/zinc/17/68/01/569176801.db2.gz RFWWMXZQOUYNGW-UHFFFAOYSA-N 1 0 441.553 3.602 50 0 IHAARO COc1cccc(-c2nc(N3CC[NH+]([C@@H](C)c4ccccc4)CC3)nc3nn(C)c(N)c32)c1 ZINC000037361280 569181573 /nfs/dbraw/zinc/18/15/73/569181573.db2.gz IFWWZXVXUOJNDA-KRWDZBQOSA-N 1 0 443.555 3.504 50 0 IHAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(c5cccc(Cl)c5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000002119416 569182810 /nfs/dbraw/zinc/18/28/10/569182810.db2.gz HXHILYRRLVJUGI-FICZKHPKSA-N 1 0 445.003 3.747 50 0 biogenic IHAARO CC[C@H]1NC(=O)N(c2cccc(NC(=O)N3CCC[N@H+](Cc4ccccc4)C[C@@H]3C)c2)C1=O ZINC000253424937 569267118 /nfs/dbraw/zinc/26/71/18/569267118.db2.gz MOGROSRKMWZGFN-PGRDOPGGSA-N 1 0 449.555 3.650 50 0 IHAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1cccc(F)c1 ZINC000027594141 569274561 /nfs/dbraw/zinc/27/45/61/569274561.db2.gz GROQGNPZDQVCOI-NRFANRHFSA-N 1 0 427.907 3.722 50 0 IHAARO COc1cc(NC2CC[NH+]([C@H](C)C(=O)NCc3ccc(Cl)cc3)CC2)cc(OC)c1 ZINC000079025618 569322733 /nfs/dbraw/zinc/32/27/33/569322733.db2.gz HHBCVVYKRBUMOX-MRXNPFEDSA-N 1 0 431.964 3.938 50 0 IHAARO Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000020417041 569364831 /nfs/dbraw/zinc/36/48/31/569364831.db2.gz HKOHMKCHCZFNJU-LJQANCHMSA-N 1 0 449.599 3.575 50 0 IHAARO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000095460844 569369723 /nfs/dbraw/zinc/36/97/23/569369723.db2.gz XVGGGIYCURWMMU-GOSISDBHSA-N 1 0 426.565 3.745 50 0 IHAARO Cc1cc2oc(=O)cc(-c3cc4c(o3)c(C)ncc4CN3CC[NH+](CCO)CC3)c2cc1C ZINC000095472751 569372130 /nfs/dbraw/zinc/37/21/30/569372130.db2.gz TYFMXNIWWRNENJ-UHFFFAOYSA-N 1 0 447.535 3.636 50 0 IHAARO Cn1c(CN2CCc3ccccc3C2)cc(=O)c(O)c1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000095480850 569374036 /nfs/dbraw/zinc/37/40/36/569374036.db2.gz TZPMLPPBCSENDJ-QHCPKHFHSA-N 1 0 429.564 3.639 50 0 IHAARO CC[NH+](CC)CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(OC)cc1OC ZINC000096024248 569380450 /nfs/dbraw/zinc/38/04/50/569380450.db2.gz PLNZZESXVHTKSI-JOCHJYFZSA-N 1 0 425.529 3.732 50 0 IHAARO Cc1nc2cc(NC(=O)c3ccc(-c4nnn(C(C)C)n4)cc3)ccc2n1CCC[NH+](C)C ZINC000096231981 569387758 /nfs/dbraw/zinc/38/77/58/569387758.db2.gz WRXRAPPLNYJVJP-UHFFFAOYSA-N 1 0 446.559 3.783 50 0 IHAARO CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(C)c1C[NH+](CC)CC ZINC000096576615 569401390 /nfs/dbraw/zinc/40/13/90/569401390.db2.gz OHJSWHYBCFEGOV-UHFFFAOYSA-N 1 0 425.323 3.885 50 0 IHAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccccc2)cc1 ZINC000096594150 569402078 /nfs/dbraw/zinc/40/20/78/569402078.db2.gz ZVDVESTWESFXFW-XNTDXEJSSA-N 1 0 425.554 3.712 50 0 IHAARO CC[C@@H]1C[N@H+](CC(C)(C)O)[C@@H](CC)CN1C(=O)c1cccc(Cn2nc(C)cc2C)c1 ZINC000230286532 569440656 /nfs/dbraw/zinc/44/06/56/569440656.db2.gz UBLUOPBACAMGHG-XZOQPEGZSA-N 1 0 426.605 3.634 50 0 IHAARO NC(=O)c1ccccc1OCc1cccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000058016904 569445041 /nfs/dbraw/zinc/44/50/41/569445041.db2.gz MQJPULOAJYNYIJ-XMMPIXPASA-N 1 0 443.547 3.931 50 0 IHAARO CCCS(=O)(=O)Nc1cccc(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](CC)CC)c1 ZINC000032314470 569461196 /nfs/dbraw/zinc/46/11/96/569461196.db2.gz CRSWTQFIFYLLLH-QFIPXVFZSA-N 1 0 447.601 3.660 50 0 IHAARO Cc1ccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@H](O)[C@H]34)CC2)c(C)c1 ZINC000059415208 569461248 /nfs/dbraw/zinc/46/12/48/569461248.db2.gz SVKLPRDZURGQKV-QWJNTRFUSA-N 1 0 438.612 3.710 50 0 biogenic IHAARO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(C)cc1 ZINC000008128384 569462290 /nfs/dbraw/zinc/46/22/90/569462290.db2.gz SUCWGUJNNSZYQC-XMSQKQJNSA-N 1 0 429.586 3.847 50 0 IHAARO COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2cccc(C)c2)[C@H]1c1ccc(Cl)cc1 ZINC000008396299 569463229 /nfs/dbraw/zinc/46/32/29/569463229.db2.gz MYVQODHDBOYLTR-LMOLPZMTSA-O 1 0 448.930 3.673 50 0 IHAARO O=C(CN1CCC(C(=O)Nc2ccccc2)CC1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000008723672 569471892 /nfs/dbraw/zinc/47/18/92/569471892.db2.gz APQCHLSVPWRYHN-UHFFFAOYSA-N 1 0 440.632 3.642 50 0 IHAARO COc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000008768332 569474932 /nfs/dbraw/zinc/47/49/32/569474932.db2.gz LBMHNXGVVAIYRL-FQEVSTJZSA-N 1 0 442.899 3.570 50 0 IHAARO Cc1ccccc1[C@@H](CC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)NC(N)=O ZINC000040069609 569485377 /nfs/dbraw/zinc/48/53/77/569485377.db2.gz DJXAUJSFZIYWGJ-UXHICEINSA-N 1 0 428.602 3.745 50 0 IHAARO COc1ccc([C@H](CNC(=O)c2csc(-c3cnn(C)c3)n2)[NH+]2CCCCC2)cc1 ZINC000040143480 569491936 /nfs/dbraw/zinc/49/19/36/569491936.db2.gz YWTUFVZMYBFUMN-FQEVSTJZSA-N 1 0 425.558 3.509 50 0 IHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000040355806 569499771 /nfs/dbraw/zinc/49/97/71/569499771.db2.gz JPLYOUCQEGRPSO-LBPRGKRZSA-N 1 0 427.357 3.916 50 0 IHAARO C[NH+](C)CC(C)(C)CNC(=O)c1csc(NC(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000040355591 569499788 /nfs/dbraw/zinc/49/97/88/569499788.db2.gz LUJKAKAJMPFRLF-UHFFFAOYSA-N 1 0 428.480 3.732 50 0 IHAARO CC(=O)c1cccc(S(=O)(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)c1 ZINC000069458797 569506612 /nfs/dbraw/zinc/50/66/12/569506612.db2.gz AVLGDUQUMREXCJ-UHFFFAOYSA-N 1 0 429.542 3.505 50 0 IHAARO Cc1ccc2c(c1)N(CC(=O)NCCC[N@@H+](C)Cc1ccccc1)C(=O)c1cccnc1O2 ZINC000009151468 569507524 /nfs/dbraw/zinc/50/75/24/569507524.db2.gz VPLCOABNDCSOTI-UHFFFAOYSA-N 1 0 444.535 3.781 50 0 IHAARO Cc1ccc(NC(=S)N(CC[NH+](C)C)Cc2nc3ccccc3c(=O)[nH]2)cc1Cl ZINC000009282870 569518738 /nfs/dbraw/zinc/51/87/38/569518738.db2.gz RTOBVIRLCMDANA-UHFFFAOYSA-N 1 0 429.977 3.646 50 0 IHAARO O[C@@]1(c2ccc(Br)cc2)CN2CCCCCC2=[N+]1c1ccc2c(c1)OCCO2 ZINC000000623361 193859878 /nfs/dbraw/zinc/85/98/78/193859878.db2.gz KYRPOWZBRGWFPG-JOCHJYFZSA-N 1 0 444.349 3.871 50 0 IHAARO CC[NH+](CC)CCNC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1 ZINC000004034418 132268537 /nfs/dbraw/zinc/26/85/37/132268537.db2.gz ZCUPOLWRUCJKLR-LADGPHEKSA-N 1 0 441.547 3.777 50 0 IHAARO Cc1cccc(N2CCN(C(=O)C3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)CC2)c1C ZINC000008916163 132298034 /nfs/dbraw/zinc/29/80/34/132298034.db2.gz URVCVZYYCQJQJV-UHFFFAOYSA-N 1 0 435.568 3.593 50 0 IHAARO O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000009789311 132329068 /nfs/dbraw/zinc/32/90/68/132329068.db2.gz LZVSAJHTMFDNCO-CMDGGOBGSA-N 1 0 436.519 3.691 50 0 IHAARO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1)N1CCN(c2ccccc2)CC1 ZINC000009933460 132331887 /nfs/dbraw/zinc/33/18/87/132331887.db2.gz AXNWGTCMHWMUCQ-VWLOTQADSA-N 1 0 446.639 3.712 50 0 IHAARO O=C(CC[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)N1CCN(c2ccccn2)CC1 ZINC000011816385 132340470 /nfs/dbraw/zinc/34/04/70/132340470.db2.gz RUYKFXLACWGTHK-LJQANCHMSA-N 1 0 428.527 3.701 50 0 IHAARO CC(C)C[C@@]1(C2CC[NH+](Cc3ccncc3)CC2)NC(=O)N(CCc2cccs2)C1=O ZINC000012165001 519288163 /nfs/dbraw/zinc/28/81/63/519288163.db2.gz NJFRBBDMUNWZLV-DEOSSOPVSA-N 1 0 440.613 3.935 50 0 IHAARO CC(C)Cc1nnc(C(=O)Nc2ccc(C(=O)NCC[C@H](C)[NH+]3CCCC3)cc2)s1 ZINC000033011353 519466605 /nfs/dbraw/zinc/46/66/05/519466605.db2.gz KQCZGOBVFAAGQF-INIZCTEOSA-N 1 0 429.590 3.593 50 0 IHAARO CC[NH+](CC)CCCN1C(=O)c2cc3oc(C)cc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021526352 520604685 /nfs/dbraw/zinc/60/46/85/520604685.db2.gz KHXCOHDZAVUCPZ-VWLOTQADSA-N 1 0 442.604 3.938 50 0 IHAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1c(C)noc1-c1cc(OC)c(OC)c(OC)c1 ZINC000022655937 520635059 /nfs/dbraw/zinc/63/50/59/520635059.db2.gz DFJWBUMFYNMPCO-HNNXBMFYSA-N 1 0 433.549 3.916 50 0 IHAARO CCN(CC)S(=O)(=O)c1cccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000012855961 520818506 /nfs/dbraw/zinc/81/85/06/520818506.db2.gz XHPMCBIFDOUUPR-UHFFFAOYSA-N 1 0 443.613 3.633 50 0 IHAARO CCOC(=O)[C@@]1(Cc2ccccc2C)CCC[N@H+](Cc2cn(CC(N)=O)c3ccccc23)C1 ZINC000012434921 521184125 /nfs/dbraw/zinc/18/41/25/521184125.db2.gz XOKRJONMQDTYQF-HHHXNRCGSA-N 1 0 447.579 3.823 50 0 IHAARO CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)CC1=O ZINC000012537228 521855464 /nfs/dbraw/zinc/85/54/64/521855464.db2.gz ADDYWOBNHSHWRV-OAQYLSRUSA-N 1 0 434.584 3.691 50 0 IHAARO CN(C)S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000012702461 521966881 /nfs/dbraw/zinc/96/68/81/521966881.db2.gz PTROKXMYIZYEIQ-GOSISDBHSA-N 1 0 437.993 3.740 50 0 IHAARO COc1cc(Cn2c(C(=O)NCC[NH+]3CCCCC3)cc3oc(C)cc32)cc(OC)c1 ZINC000035838325 522561724 /nfs/dbraw/zinc/56/17/24/522561724.db2.gz XHEKDVYJNYHHQD-UHFFFAOYSA-N 1 0 425.529 3.824 50 0 IHAARO COc1ccc(-c2cc(=O)oc3c(C)c(O[C@@H](C)C(=O)NCCC[NH+](C)C)ccc23)cc1 ZINC000012886214 523090339 /nfs/dbraw/zinc/09/03/39/523090339.db2.gz WOTSMTODWCSEFI-KRWDZBQOSA-N 1 0 438.524 3.612 50 0 biogenic IHAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1nn(-c2cccc(OC)c2)c(=O)c2ccccc21 ZINC000020804802 523171836 /nfs/dbraw/zinc/17/18/36/523171836.db2.gz IWPWIGPJMSFIGX-LJQANCHMSA-N 1 0 448.567 3.779 50 0 IHAARO CCn1c(CN2CC[NH+](CC)CC2)nc2cc(NC(=O)COc3ccccc3C)ccc21 ZINC000020677953 523189938 /nfs/dbraw/zinc/18/99/38/523189938.db2.gz FFHRSPMTQXWGEJ-UHFFFAOYSA-N 1 0 435.572 3.520 50 0 IHAARO COc1ccc(-c2nn(-c3ccccc3F)cc2C[NH2+]CCSc2nncn2C)cc1 ZINC000020601032 523245393 /nfs/dbraw/zinc/24/53/93/523245393.db2.gz SERCZAFQKHBGIN-UHFFFAOYSA-N 1 0 438.532 3.697 50 0 IHAARO COc1ccc(-n2cc(C[NH2+]CCN3CCC[C@@H](O)C3)c(-c3ccccc3Cl)n2)cc1 ZINC000020534318 523328389 /nfs/dbraw/zinc/32/83/89/523328389.db2.gz SYWSXJJABHATIE-HXUWFJFHSA-N 1 0 440.975 3.748 50 0 IHAARO CN(C(=O)C[C@@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1)C(C1CC1)C1CC1 ZINC000012227279 523841957 /nfs/dbraw/zinc/84/19/57/523841957.db2.gz SEMUSVVSLZMPPR-RUZDIDTESA-N 1 0 445.607 3.656 50 0 IHAARO COCCNC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1cc(C)ccc1C ZINC000012242390 523914203 /nfs/dbraw/zinc/91/42/03/523914203.db2.gz LFXOUVWYSKQJCK-UGKGYDQZSA-N 1 0 438.597 3.678 50 0 IHAARO COCCNC(=O)c1ccc(OC2CC[NH+](C3Cc4ccccc4C3)CC2)c(Cl)c1 ZINC000014974340 523925902 /nfs/dbraw/zinc/92/59/02/523925902.db2.gz OIMPOMMTLFDPQU-UHFFFAOYSA-N 1 0 428.960 3.727 50 0 IHAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3cccc4c3OCO4)C2)c(OC)c1 ZINC000012596518 524048221 /nfs/dbraw/zinc/04/82/21/524048221.db2.gz WFKXOHIQEZSPSB-GOSISDBHSA-N 1 0 440.540 3.741 50 0 IHAARO COc1cccc([C@@H](CNC(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)[NH+]2CCCC2)c1 ZINC000012781628 524093761 /nfs/dbraw/zinc/09/37/61/524093761.db2.gz PSVKQBNKSJAMTB-DHIUTWEWSA-N 1 0 441.547 3.542 50 0 IHAARO Cc1cc(C)n(CC(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)n1 ZINC000012429616 524502354 /nfs/dbraw/zinc/50/23/54/524502354.db2.gz MLROZNBXZFTQLC-VWLOTQADSA-N 1 0 438.616 3.728 50 0 IHAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)CN2CCCCC2=O)CC1 ZINC000012306552 525136484 /nfs/dbraw/zinc/13/64/84/525136484.db2.gz FGMDACPIXDXYKZ-UHFFFAOYSA-N 1 0 448.611 3.643 50 0 IHAARO C[C@@H]([NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)CCCC2 ZINC000012874402 525411432 /nfs/dbraw/zinc/41/14/32/525411432.db2.gz UPUKJDKOSYZBCD-GOSISDBHSA-N 1 0 441.597 3.639 50 0 IHAARO Cc1ccnc(N2CCC[C@@H](C(=O)NCC3CC[NH+](Cc4cccc(Cl)c4)CC3)C2)n1 ZINC000035454375 525667230 /nfs/dbraw/zinc/66/72/30/525667230.db2.gz ZOAVGBHEOVNVHS-OAQYLSRUSA-N 1 0 442.007 3.683 50 0 IHAARO Cc1cc(=O)c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)nn1-c1ccccc1C(F)(F)F ZINC000021869863 526128930 /nfs/dbraw/zinc/12/89/30/526128930.db2.gz IQZTYAZLXXRTIA-LJQANCHMSA-N 1 0 444.457 3.592 50 0 IHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CCCn1c(=O)c2cccn2c2ccc(F)cc21 ZINC000033031754 526247892 /nfs/dbraw/zinc/24/78/92/526247892.db2.gz QNSYFYVCQBFALM-SFHVURJKSA-N 1 0 426.536 3.554 50 0 IHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ncoc1-c1ccccc1C(=O)N1CCCCC1 ZINC000035460764 526249473 /nfs/dbraw/zinc/24/94/73/526249473.db2.gz ZWRITGYSHXMHQV-IBGZPJMESA-N 1 0 438.572 3.962 50 0 IHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000022464434 526578455 /nfs/dbraw/zinc/57/84/55/526578455.db2.gz JEAQZJHBOZMRMT-HSZRJFAPSA-N 1 0 441.522 3.770 50 0 IHAARO O=C(CCN1C(=S)N=NC1c1cccs1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000012740298 526669815 /nfs/dbraw/zinc/66/98/15/526669815.db2.gz XRQOMICNIUFQJP-QGZVFWFLSA-N 1 0 427.599 3.639 50 0 IHAARO Clc1ccc(-n2cccc2C[N@H+]2CCc3nnc(CCc4ccccc4)n3CC2)nc1 ZINC000012130266 526938181 /nfs/dbraw/zinc/93/81/81/526938181.db2.gz RHQOSNQWCNSOOY-UHFFFAOYSA-N 1 0 432.959 3.961 50 0 IHAARO O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]([NH2+]CCN1CCOCC1)c1ccccc1 ZINC000022038156 527104008 /nfs/dbraw/zinc/10/40/08/527104008.db2.gz QAFLTAQEIBOFBA-LJQANCHMSA-N 1 0 441.881 3.960 50 0 IHAARO O=S(=O)(N[C@H]1CCCC[C@@H]1N1CC[NH+](C2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000020441720 527242121 /nfs/dbraw/zinc/24/21/21/527242121.db2.gz KSXFVFBADVPBKS-VXKWHMMOSA-N 1 0 440.053 3.880 50 0 IHAARO O=c1c2c(ncn1Cc1ccccn1)sc1c2CC[C@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000012247817 527457888 /nfs/dbraw/zinc/45/78/88/527457888.db2.gz MTZVDOYWHWAHRH-SFHVURJKSA-N 1 0 434.540 3.730 50 0 IHAARO Cc1ncsc1C(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012385670 527474576 /nfs/dbraw/zinc/47/45/76/527474576.db2.gz FSEQSVCXJLEKSM-QHCPKHFHSA-N 1 0 439.625 3.952 50 0 IHAARO Cn1cnnc1Sc1ccc(CN(CCc2ccccc2)C[C@H]2CCC[N@H+](C)C2)o1 ZINC000012712655 527529758 /nfs/dbraw/zinc/52/97/58/527529758.db2.gz FJILPCMKIFZMKN-FQEVSTJZSA-N 1 0 425.602 3.946 50 0 IHAARO Cc1c(C(=O)NC2CCCCC2)nnn1-c1cccc2c1CC[N@H+](Cc1ccncc1)C2 ZINC000071890366 555744107 /nfs/dbraw/zinc/74/41/07/555744107.db2.gz GBBYGZCDKFOIDM-UHFFFAOYSA-N 1 0 430.556 3.592 50 0 IHAARO CCC(=O)N(Cc1ccc(F)cc1)c1ccc(CC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000034679697 555798821 /nfs/dbraw/zinc/79/88/21/555798821.db2.gz UVEGWCNNDZXEPD-UHFFFAOYSA-N 1 0 425.548 3.914 50 0 IHAARO Cc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](Cc4cccs4)CC3)nc2)cc1 ZINC000034682143 555815945 /nfs/dbraw/zinc/81/59/45/555815945.db2.gz AMZHHZGXVXKZDP-UHFFFAOYSA-N 1 0 428.583 3.575 50 0 IHAARO O=C(Nc1ccc(N2CCC[N@@H+](C[C@H](O)c3ccccc3)CC2)nc1)c1cccc(F)c1 ZINC000034682252 555815954 /nfs/dbraw/zinc/81/59/54/555815954.db2.gz RHMOPTRGRXMHKL-QHCPKHFHSA-N 1 0 434.515 3.719 50 0 IHAARO CCOc1ccc(C[NH+]2CCC(C(=O)NCCc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000004616712 556004317 /nfs/dbraw/zinc/00/43/17/556004317.db2.gz BUDOOPAJKDINNI-UHFFFAOYSA-N 1 0 426.557 3.673 50 0 IHAARO CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1C ZINC000006805002 556104848 /nfs/dbraw/zinc/10/48/48/556104848.db2.gz JQKPODGVDFHOQN-SFHVURJKSA-N 1 0 425.573 3.939 50 0 IHAARO CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[NH2+]Cc1ccccc1 ZINC000013756210 556300473 /nfs/dbraw/zinc/30/04/73/556300473.db2.gz DTHBABAXUHDHMR-UHFFFAOYSA-N 1 0 430.302 3.835 50 0 IHAARO CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032761181 556331528 /nfs/dbraw/zinc/33/15/28/556331528.db2.gz XRHLUPSXIAEYEM-XLIONFOSSA-N 1 0 435.540 3.734 50 0 IHAARO O=C(Cc1cccnc1)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000011667863 556346439 /nfs/dbraw/zinc/34/64/39/556346439.db2.gz UQOBECXVFLYRMD-HSZRJFAPSA-N 1 0 425.548 3.683 50 0 IHAARO COCc1ccc(C[NH+]2CCC(Oc3ccc(C(=O)NCc4ccccn4)cc3)CC2)o1 ZINC000011754246 556349157 /nfs/dbraw/zinc/34/91/57/556349157.db2.gz KRZYEEFYHNXCDS-UHFFFAOYSA-N 1 0 435.524 3.794 50 0 IHAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3cnn(C(C)C)c3)C2)c(OC)c1 ZINC000011764434 556349641 /nfs/dbraw/zinc/34/96/41/556349641.db2.gz JRPGMYWOUJBBCI-IBGZPJMESA-N 1 0 428.577 3.790 50 0 IHAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)[C@@H](OC)c1ccccc1 ZINC000011769042 556350152 /nfs/dbraw/zinc/35/01/52/556350152.db2.gz SUICMGVIVGNIQJ-VWLOTQADSA-N 1 0 440.584 3.770 50 0 IHAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000011815762 556358746 /nfs/dbraw/zinc/35/87/46/556358746.db2.gz TVROKSNJQFJBDO-UHFFFAOYSA-N 1 0 442.600 3.883 50 0 IHAARO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(Cc2cccs2)CC1)c1cccc(OC)c1 ZINC000032802486 556364923 /nfs/dbraw/zinc/36/49/23/556364923.db2.gz VFLJLZWMDUHODQ-QFIPXVFZSA-N 1 0 430.618 3.667 50 0 IHAARO Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCCN3C(=O)C[NH+]3CCCCCC3)cc2)n1 ZINC000011842161 556365946 /nfs/dbraw/zinc/36/59/46/556365946.db2.gz DEYQGKKEZMVIQY-HSZRJFAPSA-N 1 0 437.588 3.685 50 0 IHAARO CCn1cc(CNC(=O)c2ccc(OC3CC[NH+](CCc4ccccc4)CC3)cc2)cn1 ZINC000011873163 556369610 /nfs/dbraw/zinc/36/96/10/556369610.db2.gz HWLMXJHBKFZPHU-UHFFFAOYSA-N 1 0 432.568 3.919 50 0 IHAARO O=C(Nc1cccc(N2CCC([NH2+]C[C@@H]3COc4ccccc4O3)CC2)c1)c1cccnc1 ZINC000011912766 556375579 /nfs/dbraw/zinc/37/55/79/556375579.db2.gz ZWZHNXFHSTZZHB-HSZRJFAPSA-N 1 0 444.535 3.732 50 0 IHAARO O=c1c2c(ncn1Cc1ccccc1F)sc1c2CC[C@H]([NH2+]CCc2ccccn2)C1 ZINC000011913669 556376089 /nfs/dbraw/zinc/37/60/89/556376089.db2.gz MVIFQGMHFOUKKW-SFHVURJKSA-N 1 0 434.540 3.730 50 0 IHAARO COc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1C ZINC000011998029 556384980 /nfs/dbraw/zinc/38/49/80/556384980.db2.gz UBQISDYGSWTETD-VWLOTQADSA-N 1 0 447.623 3.950 50 0 IHAARO CN(C)c1ncc(C[NH+]2CCC(CCC(=O)Nc3ccc4c(c3)OCCO4)CC2)s1 ZINC000012026772 556387677 /nfs/dbraw/zinc/38/76/77/556387677.db2.gz KIMQZCDXISRZMC-UHFFFAOYSA-N 1 0 430.574 3.611 50 0 IHAARO Cc1cccc(C[NH+]2CCN(c3ccc(S(=O)(=O)N(C(C)C)C(C)C)cn3)CC2)c1 ZINC000014245278 556405023 /nfs/dbraw/zinc/40/50/23/556405023.db2.gz QABQDKKREOPWNB-UHFFFAOYSA-N 1 0 430.618 3.520 50 0 IHAARO Cc1sc2nc(-c3cccs3)nc(N3CCC(C(=O)NCC[NH+](C)C)CC3)c2c1C ZINC000032823944 556408526 /nfs/dbraw/zinc/40/85/26/556408526.db2.gz KTBFCPSIPYMZGD-UHFFFAOYSA-N 1 0 443.642 3.931 50 0 IHAARO COc1cccc(C[NH+]2CCC3(CC2)C(=O)N(C(C)C)C(=O)N3CCc2ccccc2)c1 ZINC000014534196 556422655 /nfs/dbraw/zinc/42/26/55/556422655.db2.gz OKRCHTHPXKLRIV-UHFFFAOYSA-N 1 0 435.568 3.945 50 0 IHAARO COc1ccc(C[N@@H+]2CCCN(C(=O)COc3ccc(Br)cc3)CC2)cc1 ZINC000032860421 556447672 /nfs/dbraw/zinc/44/76/72/556447672.db2.gz AXVZVRDATMIOHZ-UHFFFAOYSA-N 1 0 433.346 3.571 50 0 IHAARO CC(=O)Nc1cccc(C(=O)NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000029153582 556469033 /nfs/dbraw/zinc/46/90/33/556469033.db2.gz HQEHWSIHOFVULS-UHFFFAOYSA-N 1 0 448.489 3.606 50 0 IHAARO Cc1c(C(=O)N2CCC[C@H](c3ccccc3)C2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000014986821 556472933 /nfs/dbraw/zinc/47/29/33/556472933.db2.gz JPNCPBORFCGYFR-IBGZPJMESA-N 1 0 435.597 3.771 50 0 IHAARO CCN1C[C@@H](C[NH2+]C2CCN(c3cccc(NC(=O)CC4CCCC4)c3)CC2)CC1=O ZINC000015071348 556496309 /nfs/dbraw/zinc/49/63/09/556496309.db2.gz LFNFGSRZDNBRDV-HXUWFJFHSA-N 1 0 426.605 3.632 50 0 IHAARO CCC[NH+]1CCN([C@H](C)CCCN(C(=O)[C@H]2CCCN(c3nccs3)C2)C2CC2)CC1 ZINC000072305494 556552949 /nfs/dbraw/zinc/55/29/49/556552949.db2.gz NOJYUJDIGHHQLA-RTWAWAEBSA-N 1 0 447.693 3.547 50 0 IHAARO CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016009820 556573665 /nfs/dbraw/zinc/57/36/65/556573665.db2.gz DLPSMEZCJNAFFT-PBQROFAYSA-N 1 0 449.938 3.642 50 0 IHAARO CCOc1cc(Br)c(CC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1OCC ZINC000072311470 556583883 /nfs/dbraw/zinc/58/38/83/556583883.db2.gz MCUGRCPMUBIGML-CQSZACIVSA-N 1 0 429.399 3.882 50 0 IHAARO O=C(CCNC(=O)c1ccc(Br)cc1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000016259341 556594936 /nfs/dbraw/zinc/59/49/36/556594936.db2.gz OFHKKILOISJYKY-HXUWFJFHSA-N 1 0 444.373 3.522 50 0 IHAARO O=C(C[NH2+]CC1CCCCC1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000004985638 556614831 /nfs/dbraw/zinc/61/48/31/556614831.db2.gz GCKLTCOCXRVZJS-UHFFFAOYSA-N 1 0 427.998 3.623 50 0 IHAARO Cc1cc(C)n(-c2ccc(F)cc2CN2CC[N@H+](Cc3cccs3)[C@H](CCO)C2)n1 ZINC000039380497 556628444 /nfs/dbraw/zinc/62/84/44/556628444.db2.gz DWHPJMOLRZVQES-OAQYLSRUSA-N 1 0 428.577 3.759 50 0 IHAARO Cc1cc2nc3sc(C(=O)NCCC[N@@H+](C)Cc4ccccc4)cc(=O)n3c2cc1C ZINC000033009076 556656266 /nfs/dbraw/zinc/65/62/66/556656266.db2.gz MGGLNKUMPHGPBA-UHFFFAOYSA-N 1 0 434.565 3.778 50 0 IHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(=O)c(OCc2ccc(F)cc2)co1 ZINC000011856890 556662467 /nfs/dbraw/zinc/66/24/67/556662467.db2.gz MBMASPLQENPFHD-UHFFFAOYSA-N 1 0 436.483 3.752 50 0 IHAARO COc1cc(C[NH+]2CCC3(CC[C@H](CNC(=O)c4csc(C)n4)O3)CC2)ccc1F ZINC000011911339 556672151 /nfs/dbraw/zinc/67/21/51/556672151.db2.gz YTXPFDPOAWMTEV-QGZVFWFLSA-N 1 0 433.549 3.543 50 0 IHAARO Cc1ccc2[nH]cc(CC[NH2+][C@@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)c2c1 ZINC000018088239 556683668 /nfs/dbraw/zinc/68/36/68/556683668.db2.gz AQDDUKJWFBQPCA-LJQANCHMSA-N 1 0 426.314 3.703 50 0 IHAARO CCCc1nnc(C(=O)Nc2cccc(C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)c2)s1 ZINC000033022788 556687962 /nfs/dbraw/zinc/68/79/62/556687962.db2.gz DFZMJNIPDAMXDJ-INIZCTEOSA-N 1 0 429.590 3.595 50 0 IHAARO CC(C)Cc1nnc(C(=O)Nc2cccc(C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)c2)s1 ZINC000033022927 556688400 /nfs/dbraw/zinc/68/84/00/556688400.db2.gz QQUVLLDUOFWHKX-KRWDZBQOSA-N 1 0 443.617 3.841 50 0 IHAARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000252518058 556690922 /nfs/dbraw/zinc/69/09/22/556690922.db2.gz YPCHADOSNDGCAG-GRSOWLQASA-N 1 0 437.499 3.579 50 0 IHAARO CC(C)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]12 ZINC000138125108 556699931 /nfs/dbraw/zinc/69/99/31/556699931.db2.gz OBUYDIXKFNSQRN-SUWCGCSTSA-N 1 0 444.318 3.574 50 0 IHAARO COc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)c(OC)c1C ZINC000019227141 556717005 /nfs/dbraw/zinc/71/70/05/556717005.db2.gz QKYJEHJWRMHQLK-JOCHJYFZSA-N 1 0 439.600 3.807 50 0 IHAARO CCC[NH+]1CCN(c2nnc(-n3cccc3C(=O)Nc3ccccc3Cl)s2)CC1 ZINC000033039598 556731275 /nfs/dbraw/zinc/73/12/75/556731275.db2.gz YCYCKDXMAIOQKO-UHFFFAOYSA-N 1 0 430.965 3.767 50 0 IHAARO CCOc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)cc1CO ZINC000019334827 556738198 /nfs/dbraw/zinc/73/81/98/556738198.db2.gz QEZATXQQVIOGOE-XMMPIXPASA-N 1 0 427.564 3.503 50 0 IHAARO COc1cc(CNCc2nc(C)cs2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000055225863 556738151 /nfs/dbraw/zinc/73/81/51/556738151.db2.gz LMDGHDGGXNPHOK-FQEVSTJZSA-N 1 0 433.618 3.754 50 0 IHAARO C[C@H](C(=O)Nc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1)n1cccn1 ZINC000072015528 556747855 /nfs/dbraw/zinc/74/78/55/556747855.db2.gz GJNUKAMJWQKADY-CTNGQTDRSA-N 1 0 431.540 3.934 50 0 IHAARO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)COc1cccc(NC(=O)C2CC2)c1 ZINC000058174715 556769096 /nfs/dbraw/zinc/76/90/96/556769096.db2.gz DMIDLVBNDBYTLW-UHFFFAOYSA-N 1 0 439.581 3.910 50 0 IHAARO CCC[NH+](CCC)CCCC(=O)Nc1ccc(OCC)c(S(=O)(=O)N(CC)CC)c1 ZINC000058379572 556784267 /nfs/dbraw/zinc/78/42/67/556784267.db2.gz MMGVCWAIILDVQE-UHFFFAOYSA-N 1 0 441.638 3.957 50 0 IHAARO COc1cc(C(=O)O[C@H]2CC[N@H+](CCCC(=O)c3ccc(F)cc3)C2)cc(OC)c1OC ZINC000071769295 556887700 /nfs/dbraw/zinc/88/77/00/556887700.db2.gz HQQZFTYLAGVMLP-IBGZPJMESA-N 1 0 445.487 3.746 50 0 IHAARO COc1ccc(C[N@@H+]2CCN(Cc3cnn(-c4ccccc4)c3)C[C@@H]2CCO)c(C)c1C ZINC000019770815 556912892 /nfs/dbraw/zinc/91/28/92/556912892.db2.gz IXTPRDXDGMZNLX-VWLOTQADSA-N 1 0 434.584 3.567 50 0 IHAARO O[C@H](COCCOc1ccc(Cl)cc1)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019938592 556952930 /nfs/dbraw/zinc/95/29/30/556952930.db2.gz KKCPFGYFCCFUBN-NRFANRHFSA-N 1 0 439.383 3.568 50 0 IHAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CCNC(=O)c2ccccc2Cl)CC1 ZINC000023139632 557022394 /nfs/dbraw/zinc/02/23/94/557022394.db2.gz PEFMOACZDIUPLE-UHFFFAOYSA-N 1 0 449.382 3.894 50 0 IHAARO CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(=O)n2nc(-c3ccc(OC)cc3)sc2n1 ZINC000046032422 557025103 /nfs/dbraw/zinc/02/51/03/557025103.db2.gz IAHLDMKQTYPALN-UHFFFAOYSA-N 1 0 436.537 3.857 50 0 IHAARO COc1ccc(COC[C@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022923802 557047715 /nfs/dbraw/zinc/04/77/15/557047715.db2.gz VGDGVAFLGVNWFD-AREMUKBSSA-N 1 0 446.591 3.980 50 0 IHAARO CC[NH+](CC)[C@H](CNC(=O)[C@@H](NC(=O)C1CCCCC1)C(C)C)c1cccc(OC)c1 ZINC000022969335 557055181 /nfs/dbraw/zinc/05/51/81/557055181.db2.gz UUPJTJGJUZKZQU-PKTZIBPZSA-N 1 0 431.621 3.915 50 0 IHAARO C[N@H+](C1CCC1)C1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1 ZINC000095698506 557159925 /nfs/dbraw/zinc/15/99/25/557159925.db2.gz VEDWLSHFXVJAPA-UHFFFAOYSA-N 1 0 436.025 3.630 50 0 IHAARO O[C@H](COCCOc1ccc(Cl)cc1)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000025228038 557200375 /nfs/dbraw/zinc/20/03/75/557200375.db2.gz YFWIKFAGWQBGJA-PZJWPPBQSA-N 1 0 433.932 3.705 50 0 IHAARO Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@H](c3cccs3)[NH+](C)C)c2)cc1 ZINC000025719983 557223340 /nfs/dbraw/zinc/22/33/40/557223340.db2.gz KQPBNJAGQZODGY-HXUWFJFHSA-N 1 0 443.594 3.890 50 0 IHAARO COc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)c1 ZINC000026908160 557250968 /nfs/dbraw/zinc/25/09/68/557250968.db2.gz JWLBCZNAJJCACP-QHCPKHFHSA-N 1 0 441.547 3.719 50 0 IHAARO CN1c2ccccc2[C@@]2(Nc3ccccc3C(=O)N2C[C@@H](c2ccccc2)[NH+](C)C)C1=O ZINC000101638206 557292132 /nfs/dbraw/zinc/29/21/32/557292132.db2.gz ZUMVUJUNFASJBG-OZXSUGGESA-N 1 0 426.520 3.687 50 0 IHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nn(-c2ccccc2)c2c1Cc1cc(OC)c(OC)cc1-2 ZINC000031816167 557294321 /nfs/dbraw/zinc/29/43/21/557294321.db2.gz VKSOLCMJJQHHRB-LJQANCHMSA-N 1 0 446.551 3.675 50 0 IHAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000105874531 557511956 /nfs/dbraw/zinc/51/19/56/557511956.db2.gz VDSNERPRHTXNHV-VOJVFWIESA-N 1 0 435.612 3.585 50 0 IHAARO Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CC[N@@H+]5CCC[C@H]5C4)c3n2)cc1 ZINC000002753478 557521772 /nfs/dbraw/zinc/52/17/72/557521772.db2.gz MHNNEIFFBMDCCR-INIZCTEOSA-N 1 0 429.446 3.644 50 0 IHAARO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000109047824 557545707 /nfs/dbraw/zinc/54/57/07/557545707.db2.gz NXBVONWVPOOUDG-OTWHNJEPSA-N 1 0 429.586 3.584 50 0 IHAARO O=C(C1=C2C(O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@H]2CCCN12)c1ccccc1 ZINC000229886580 557833555 /nfs/dbraw/zinc/83/35/55/557833555.db2.gz FLDJJCYEBBLJOE-HCXYKTFWSA-N 1 0 428.410 3.541 50 0 IHAARO Cc1oc(-c2ccc(C)cc2)nc1C[S@@](=O)CC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000006577722 562947816 /nfs/dbraw/zinc/94/78/16/562947816.db2.gz OEVNUWITNDTCCO-FLAQELHPSA-N 1 0 445.629 3.691 50 0 aggregator IHAARO CCOc1ccc(OCC[NH2+]Cc2ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c2)cc1 ZINC000007983983 562948688 /nfs/dbraw/zinc/94/86/88/562948688.db2.gz LVXVJNYELOXGLS-GOSISDBHSA-N 1 0 430.545 3.508 50 0 IHAARO COC(=O)CCNC(=O)N[C@@H](CCC(C)C)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000008590222 562951579 /nfs/dbraw/zinc/95/15/79/562951579.db2.gz KDFLEWJMZHMFJF-SFHVURJKSA-N 1 0 446.617 3.866 50 0 IHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(Br)c(Br)[nH]1 ZINC000008762102 562963917 /nfs/dbraw/zinc/96/39/17/562963917.db2.gz GFIFVSYOSVMMOA-UHFFFAOYSA-N 1 0 441.167 3.934 50 0 IHAARO CCOC(=O)c1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000008860078 562965278 /nfs/dbraw/zinc/96/52/78/562965278.db2.gz PMFBTJZOTSGQOY-MRXNPFEDSA-N 1 0 444.553 3.863 50 0 IHAARO C[NH+]1CCN([C@@H]2CC[N@H+](CC(c3ccccc3)c3ccccc3)C[C@@H]2CCC(=O)[O-])CC1 ZINC000299770339 568756626 /nfs/dbraw/zinc/75/66/26/568756626.db2.gz QBVFCZNZXAUADH-AZGAKELHSA-N 1 0 435.612 3.621 50 0 IHAARO COc1cc(=O)n2c(c1C(=O)NCCC(C)C)CC[N@@H+](CC[C@H](C)c1ccc(C)o1)CC2 ZINC000299770139 568756677 /nfs/dbraw/zinc/75/66/77/568756677.db2.gz PNJMTFMCNIMBLC-SFHVURJKSA-N 1 0 443.588 3.586 50 0 IHAARO OC1CCN(c2nc3cc4c(cc3cc2C[NH2+]Cc2ccc3c(c2)OCO3)CCC4)CC1 ZINC000299777642 568757020 /nfs/dbraw/zinc/75/70/20/568757020.db2.gz OWTIISLIOGRZLY-UHFFFAOYSA-N 1 0 431.536 3.703 50 0 IHAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCn1ccc2c1cccc2OC ZINC000263585278 568758938 /nfs/dbraw/zinc/75/89/38/568758938.db2.gz GZCRHOLAFNYXAO-RBBKRZOGSA-N 1 0 427.589 3.780 50 0 biogenic IHAARO C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000084687078 568800060 /nfs/dbraw/zinc/80/00/60/568800060.db2.gz BBCHSWCDTLTDGD-GBXCKJPGSA-N 1 0 434.584 3.613 50 0 IHAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2cccn2-c2nnc(N3CCCCCC3)s2)C1 ZINC000015671821 568803030 /nfs/dbraw/zinc/80/30/30/568803030.db2.gz UWBBTJWOEBRWNX-SFHVURJKSA-N 1 0 430.622 3.561 50 0 IHAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1noc2c1CCc1sccc1-2 ZINC000015733233 568815589 /nfs/dbraw/zinc/81/55/89/568815589.db2.gz UGUMGYYNDSZZRO-UHFFFAOYSA-N 1 0 440.544 3.583 50 0 IHAARO O=C(C1CCN(c2ccc(-c3cccs3)nn2)CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000015734777 568816415 /nfs/dbraw/zinc/81/64/15/568816415.db2.gz OUMZFZBBMBIBEU-UHFFFAOYSA-N 1 0 439.629 3.898 50 0 IHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000015770398 568822273 /nfs/dbraw/zinc/82/22/73/568822273.db2.gz BOVNIWKOZHHNPB-LJQANCHMSA-N 1 0 435.597 3.689 50 0 IHAARO COc1ccc2nc(N3CCC[C@H](C(=O)NCCC[N@@H+]4CCC[C@H](C)C4)C3)sc2c1 ZINC000103585139 568838961 /nfs/dbraw/zinc/83/89/61/568838961.db2.gz VPAFHNCLEOHSTH-ROUUACIJSA-N 1 0 430.618 3.760 50 0 IHAARO Cc1nc2cc(C(=O)NCC[N@@H+](C)Cc3ccccc3)ccc2n(Cc2ccccc2)c1=O ZINC000015862539 568848882 /nfs/dbraw/zinc/84/88/82/568848882.db2.gz NRUVSWPBLNQLAF-UHFFFAOYSA-N 1 0 440.547 3.615 50 0 IHAARO COc1cc(-c2noc([C@@H]([NH2+]C[C@@H](O)Cc3ccccc3)C(C)C)n2)cc(OC)c1OC ZINC000036160538 568967447 /nfs/dbraw/zinc/96/74/47/568967447.db2.gz RPVOSNZCVDLJRB-RXVVDRJESA-N 1 0 441.528 3.653 50 0 IHAARO CCOC(=O)C1C(C[N@@H+]2CC[C@H](c3ccc(C)cc3)C2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000036163088 568967896 /nfs/dbraw/zinc/96/78/96/568967896.db2.gz XNQZVKPPSTXPJN-URXFXBBRSA-N 1 0 433.552 3.964 50 0 IHAARO O=C([C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000064844426 568971843 /nfs/dbraw/zinc/97/18/43/568971843.db2.gz ZVIPCGHTODFXJB-QFIPXVFZSA-N 1 0 433.600 3.837 50 0 IHAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3cccc(-n4nnc5cccnc54)c3)CC2)cc1 ZINC000064925423 568986566 /nfs/dbraw/zinc/98/65/66/568986566.db2.gz AUTAJOCSJZAPKR-UHFFFAOYSA-N 1 0 440.551 3.766 50 0 IHAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]1[C@@H](C(=O)NCc1ccco1)C2 ZINC000169679525 568991024 /nfs/dbraw/zinc/99/10/24/568991024.db2.gz FJCDEONHGRMNGD-UKILVPOCSA-N 1 0 449.526 3.607 50 0 IHAARO Cc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@@H](C)O)CC2CC2)c1 ZINC000036309513 568996154 /nfs/dbraw/zinc/99/61/54/568996154.db2.gz XLQGADHTANDDRT-XMSQKQJNSA-N 1 0 428.598 3.654 50 0 IHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](N1CCCCC1)S2 ZINC000169706066 569078258 /nfs/dbraw/zinc/07/82/58/569078258.db2.gz FDHSAMVGGYCYTJ-HXOBKFHXSA-N 1 0 430.618 3.537 50 0 IHAARO Cc1nc(C)c(Cc2ccc(F)cc2)c(N2CC[NH+](C[C@H](O)Cc3ccccc3)CC2)n1 ZINC000036340330 569078695 /nfs/dbraw/zinc/07/86/95/569078695.db2.gz RKMGWLGEJCHGGF-XMMPIXPASA-N 1 0 434.559 3.549 50 0 IHAARO Cc1ccc(-n2cc3c(c(C(=O)NCC[NH+]4CCCCC4)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000513 569086019 /nfs/dbraw/zinc/08/60/19/569086019.db2.gz KMSRBATTWBTFKN-UHFFFAOYSA-N 1 0 435.568 3.517 50 0 IHAARO Cc1c(S(=O)(=O)NCC[NH+](C)C)cc(-c2nc(-c3ccc(Cl)cc3)cs2)n1C ZINC000065008742 569087695 /nfs/dbraw/zinc/08/76/95/569087695.db2.gz OCHBODFJXMHNRZ-UHFFFAOYSA-N 1 0 439.006 3.617 50 0 IHAARO CC[NH+]1CCC(N(Cc2cccc(OC)c2)C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000006877665 569096203 /nfs/dbraw/zinc/09/62/03/569096203.db2.gz GAVBXJMSBWPSTQ-UHFFFAOYSA-N 1 0 425.529 3.985 50 0 IHAARO Cc1cc(-n2nnc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c2-c2ccncc2)ccc1F ZINC000065083238 569102218 /nfs/dbraw/zinc/10/22/18/569102218.db2.gz AFAPRRURGHXDQO-UHFFFAOYSA-N 1 0 448.546 3.867 50 0 IHAARO COc1ccc(-c2nc(CC(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)cs2)cc1OC ZINC000036580021 569119790 /nfs/dbraw/zinc/11/97/90/569119790.db2.gz CIGXKYOEWKEYLD-IEBWSBKVSA-N 1 0 429.586 3.751 50 0 IHAARO CC(C)C[NH+]1CCN(C(=O)c2ccc3c(c2)Sc2ncccc2C(=O)N3C2CC2)CC1 ZINC000065241493 569121027 /nfs/dbraw/zinc/12/10/27/569121027.db2.gz WLELOBAGCJETLZ-UHFFFAOYSA-N 1 0 436.581 3.769 50 0 IHAARO O=C(NCc1cccc(Br)c1)c1ccc2c(c1)ncn2CC[NH+]1CCCC1 ZINC000065255136 569122877 /nfs/dbraw/zinc/12/28/77/569122877.db2.gz KDTKNCWULALXFN-UHFFFAOYSA-N 1 0 427.346 3.825 50 0 IHAARO Cc1cccc(N2CCN(C(=O)c3ccc(N4CC[NH2+][C@H](c5ccccc5)C4)nc3)CC2)c1 ZINC000065256150 569123233 /nfs/dbraw/zinc/12/32/33/569123233.db2.gz RASUFZFCSLEIPW-VWLOTQADSA-N 1 0 441.579 3.503 50 0 IHAARO O=C(COc1ccccc1)N1CCC2(CC1)Nc1cccnc1[NH+]=C2NCc1ccccc1 ZINC000065265658 569127137 /nfs/dbraw/zinc/12/71/37/569127137.db2.gz JQEANCFKLDTRBU-UHFFFAOYSA-N 1 0 441.535 3.767 50 0 biogenic IHAARO CCN(CC)C(=O)c1cc2c(s1)CC[C@H](C(=O)N1CC[NH+](C3CCCCC3)CC1)C2 ZINC000065272688 569129131 /nfs/dbraw/zinc/12/91/31/569129131.db2.gz JWQGYTVRYISIIY-SFHVURJKSA-N 1 0 431.646 3.812 50 0 IHAARO COc1cc(OC)c(NC(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1Cl ZINC000065566507 569139399 /nfs/dbraw/zinc/13/93/99/569139399.db2.gz SMNAMPKCTASXSY-GJZGRUSLSA-N 1 0 425.957 3.710 50 0 IHAARO COc1ccc(N(C[C@H](O)C[NH+]2[C@H](C)CCC[C@H]2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000239593105 569139751 /nfs/dbraw/zinc/13/97/51/569139751.db2.gz DPPITQLJNRVYME-KCZVDYSFSA-N 1 0 446.613 3.823 50 0 IHAARO O=C(c1ccc(Cn2ccccc2=O)o1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000089834940 569165377 /nfs/dbraw/zinc/16/53/77/569165377.db2.gz RCTGAWVVXCJCAZ-GGAORHGYSA-N 1 0 431.536 3.616 50 0 IHAARO CC[NH+](CC)[C@H](CNC(=O)COC(=O)CCCc1nc2ccccc2s1)c1ccco1 ZINC000089967799 569169231 /nfs/dbraw/zinc/16/92/31/569169231.db2.gz RGOJDUHXORYMMX-GOSISDBHSA-N 1 0 443.569 3.955 50 0 IHAARO CCOC(=O)C1([C@@H](C)[NH2+]CC[C@](C)(O)c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000252504217 569188235 /nfs/dbraw/zinc/18/82/35/569188235.db2.gz VIIZRUZVQXGLLA-DVECYGJZSA-N 1 0 448.604 3.843 50 0 IHAARO CC(C)CN1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)c4cc5ccccc5[nH]4)CC3)C2)CC1 ZINC000581820160 569211779 /nfs/dbraw/zinc/21/17/79/569211779.db2.gz VVMRBGKMOKJNDY-JOCHJYFZSA-N 1 0 438.616 3.595 50 0 IHAARO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CC[N@@H+]1CCCC(C)(C)C1 ZINC000002247473 569214598 /nfs/dbraw/zinc/21/45/98/569214598.db2.gz WZGIYHDLUCNPKE-UHFFFAOYSA-N 1 0 431.533 3.812 50 0 IHAARO CCC(=O)c1cc2c(cc1N[N+](=O)c1cc3c(cc1C(=O)CC)OCCO3)OCCO2 ZINC000137714230 569258779 /nfs/dbraw/zinc/25/87/79/569258779.db2.gz ZADIJKHRGUXMKB-UHFFFAOYSA-O 1 0 427.433 3.852 50 0 IHAARO CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCO[C@H](C(C)C)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000253416042 569266478 /nfs/dbraw/zinc/26/64/78/569266478.db2.gz QVKFMUNVGLIGNA-FHWLQOOXSA-N 1 0 426.598 3.749 50 0 IHAARO COc1ccccc1-n1cc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c2ccccc2c1=O ZINC000079191994 569328084 /nfs/dbraw/zinc/32/80/84/569328084.db2.gz TVPITNPTTHVGCW-WMZHIEFXSA-N 1 0 445.563 3.994 50 0 biogenic IHAARO COc1ccccc1-n1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2ccccc2c1=O ZINC000019908677 569331838 /nfs/dbraw/zinc/33/18/38/569331838.db2.gz QCDJPEZPGZNMID-UHFFFAOYSA-N 1 0 440.547 3.712 50 0 IHAARO O[C@H](CSc1ccc(Br)cc1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020385142 569363027 /nfs/dbraw/zinc/36/30/27/569363027.db2.gz XAYBQMQZNGGYMG-SFHVURJKSA-N 1 0 425.367 3.863 50 0 IHAARO COCc1c2ccccc2sc1C(=O)N(C)C[C@H](O)C[NH+]1CCc2ccccc2CC1 ZINC000095446574 569367383 /nfs/dbraw/zinc/36/73/83/569367383.db2.gz APAHJCWSUUHXTH-FQEVSTJZSA-N 1 0 438.593 3.581 50 0 IHAARO COC(=O)CCC1CC[NH+](C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)CC1 ZINC000095452720 569368037 /nfs/dbraw/zinc/36/80/37/569368037.db2.gz SGFRUBZKKJVNNB-HSZRJFAPSA-N 1 0 444.597 3.680 50 0 IHAARO CC1CC[NH+](CCc2cccc(NC(=O)c3cccc(S(=O)(=O)NC4CC4)c3)c2)CC1 ZINC000095455584 569368559 /nfs/dbraw/zinc/36/85/59/569368559.db2.gz XZPLNIWRZDHVAZ-UHFFFAOYSA-N 1 0 441.597 3.654 50 0 IHAARO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000095460843 569369754 /nfs/dbraw/zinc/36/97/54/569369754.db2.gz XVGGGIYCURWMMU-SFHVURJKSA-N 1 0 426.565 3.745 50 0 IHAARO Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N4CC[C@H]5CC[N@@H+](C)C[C@@H]54)cc3)ccc12 ZINC000095995830 569378715 /nfs/dbraw/zinc/37/87/15/569378715.db2.gz PHHBXESXRAPPAS-XXBNENTESA-N 1 0 432.520 3.847 50 0 IHAARO Cc1ccc(CCC2CC[NH+](CC(=O)N3CCN(C(=O)c4cccs4)CC3)CC2)cc1 ZINC000029168397 569427978 /nfs/dbraw/zinc/42/79/78/569427978.db2.gz SYPHCKLLNZENSQ-UHFFFAOYSA-N 1 0 439.625 3.686 50 0 IHAARO CS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000058169342 569449530 /nfs/dbraw/zinc/44/95/30/569449530.db2.gz LQYRNWWAZNDHMC-UHFFFAOYSA-N 1 0 449.576 3.665 50 0 IHAARO Cn1nc(-c2ccc(Br)cc2)cc1C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000504772526 569450100 /nfs/dbraw/zinc/45/01/00/569450100.db2.gz BWVRGYZEWUOEER-LPHOPBHVSA-N 1 0 431.378 3.844 50 0 IHAARO C[N@H+](CCNC(=S)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3)C1CCCCC1 ZINC000003646032 569455637 /nfs/dbraw/zinc/45/56/37/569455637.db2.gz BSTQVHFGWIHNFW-UHFFFAOYSA-N 1 0 427.618 3.674 50 0 IHAARO CC1CC[NH+]([C@@H](CNC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)c2cccs2)CC1 ZINC000031487275 569456556 /nfs/dbraw/zinc/45/65/56/569456556.db2.gz RVINQOYUAJDLSW-OOTRUBSTSA-N 1 0 443.657 3.970 50 0 IHAARO Cc1ccc(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1NS(C)(=O)=O ZINC000040107928 569488458 /nfs/dbraw/zinc/48/84/58/569488458.db2.gz OPJHEPXXXFAXDM-KRWDZBQOSA-N 1 0 429.586 3.528 50 0 IHAARO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2ncnc3sc4c(c32)CCCCC4)CC1 ZINC000040158222 569494489 /nfs/dbraw/zinc/49/44/89/569494489.db2.gz LCPDNKCSMYTCKR-UHFFFAOYSA-N 1 0 443.661 3.881 50 0 IHAARO COc1ccc(NC(=O)[C@@H]2C[C@H](CCSC)[NH2+][C@@]23C(=O)Nc2c3cc(C)cc2C)cc1 ZINC000008994266 569495562 /nfs/dbraw/zinc/49/55/62/569495562.db2.gz ZYNUTHFIZQWYSX-GERBCZOESA-N 1 0 439.581 3.829 50 0 IHAARO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H](CC(C)C)[NH2+][C@]23C(=O)Nc2ccc(C)cc23)cc1 ZINC000009058973 569499251 /nfs/dbraw/zinc/49/92/51/569499251.db2.gz VORDSJCBYIFJSS-ZVOVDXHFSA-N 1 0 449.551 3.982 50 0 IHAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1csc(NC(=O)c2cc(F)cc(F)c2)n1 ZINC000040355879 569499878 /nfs/dbraw/zinc/49/98/78/569499878.db2.gz FAESASUALFDIKF-UHFFFAOYSA-N 1 0 444.507 3.878 50 0 IHAARO CCOC(=O)C1C(C[N@@H+]2CC[C@@H](c3ccc(C)cc3)C2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000245258112 569501663 /nfs/dbraw/zinc/50/16/63/569501663.db2.gz JQWZHDIXPODQQK-YKSBVNFPSA-N 1 0 449.551 3.664 50 0 IHAARO COc1ccc(C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C[C@H]2CCCO2)cc1OC ZINC000245279084 569502063 /nfs/dbraw/zinc/50/20/63/569502063.db2.gz BTTKWFHJAVCJMO-TZIWHRDSSA-N 1 0 435.948 3.778 50 0 IHAARO COc1cccc(C[N@H+](C[C@@H](O)COC(C)C)C[C@H]2CC(c3ccccc3F)=NO2)c1 ZINC000245329226 569504084 /nfs/dbraw/zinc/50/40/84/569504084.db2.gz ROOVOJIONBWZSN-TZIWHRDSSA-N 1 0 430.520 3.615 50 0 IHAARO CCOC(=O)C1C(C[N@@H+]2CC[C@@H](c3ccc(C)cc3)C2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000245343709 569504533 /nfs/dbraw/zinc/50/45/33/569504533.db2.gz XNQZVKPPSTXPJN-QPPBQGQZSA-N 1 0 433.552 3.964 50 0 IHAARO COc1ccc(OC)c(NC(=O)[C@H]2C[C@@H]3CCC[N@@H+]3[C@@]23c2cc(C)cc(C)c2NC3=O)c1 ZINC000009130286 569505990 /nfs/dbraw/zinc/50/59/90/569505990.db2.gz LLXSEQNQXCDXQL-WEVXLUSXSA-N 1 0 435.524 3.591 50 0 IHAARO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Cn2ncc3c4ccccc4[nH]c3c2=O)o1 ZINC000009211343 569511773 /nfs/dbraw/zinc/51/17/73/569511773.db2.gz NLLUIYBWTVISEP-QGZVFWFLSA-N 1 0 447.539 3.552 50 0 IHAARO COc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CC[NH+](C)C)c1OC ZINC000009328268 569522841 /nfs/dbraw/zinc/52/28/41/569522841.db2.gz AZBHQIPGGRZSII-NRFANRHFSA-N 1 0 436.508 3.534 50 0 IHAARO CC[C@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000070036666 569529359 /nfs/dbraw/zinc/52/93/59/569529359.db2.gz UOTBZEZQXGAJDS-MSOLQXFVSA-N 1 0 444.992 3.959 50 0 IHAARO COc1ccc([C@H](CNC(=O)C2CCN(C(=O)c3cccs3)CC2)[NH+]2CCCC2)cc1 ZINC000009498110 569541316 /nfs/dbraw/zinc/54/13/16/569541316.db2.gz ZKFRPHGXZRWXHU-NRFANRHFSA-N 1 0 441.597 3.562 50 0 IHAARO COc1cc(OC)c(OC)cc1CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000009586735 569549733 /nfs/dbraw/zinc/54/97/33/569549733.db2.gz LKKTZTQZOVLQMP-UHFFFAOYSA-N 1 0 427.545 3.698 50 0 IHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1nnc(Cc2c(F)cccc2Cl)o1 ZINC000009605181 569551939 /nfs/dbraw/zinc/55/19/39/569551939.db2.gz KJJLNHKHAJFSPE-UHFFFAOYSA-N 1 0 428.895 3.847 50 0 IHAARO Cc1cc(C)c2c(-n3cccc3)nn(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2n1 ZINC000009687279 569560782 /nfs/dbraw/zinc/56/07/82/569560782.db2.gz JZIHTXYPPLLLCF-UHFFFAOYSA-N 1 0 442.567 3.620 50 0 IHAARO Cc1ccc(C[NH+]2CCC(CNC(=O)Cn3c(=O)oc4cc(Cl)ccc43)CC2)cc1 ZINC000009688584 569560812 /nfs/dbraw/zinc/56/08/12/569560812.db2.gz NUXFLMFANBKCPF-UHFFFAOYSA-N 1 0 427.932 3.585 50 0 IHAARO CCc1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+](CC)CC)c3c2CCC3)cc1 ZINC000009745949 569565713 /nfs/dbraw/zinc/56/57/13/569565713.db2.gz TYIUQUQHQSCPGA-UHFFFAOYSA-N 1 0 442.629 3.757 50 0 IHAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)COc1c(F)c(F)cc(F)c1F ZINC000009861029 569571910 /nfs/dbraw/zinc/57/19/10/569571910.db2.gz WUWPWZDKVUNJMB-UHFFFAOYSA-N 1 0 438.425 3.952 50 0 IHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000010030610 569577345 /nfs/dbraw/zinc/57/73/45/569577345.db2.gz OHJQYKSUYUVEEP-AZUAARDMSA-N 1 0 429.948 3.739 50 0 IHAARO O=C(Nc1cc(N2CC[NH+](Cc3ccccc3)CC2)ncn1)c1cc(-c2cccs2)on1 ZINC000077100913 569585453 /nfs/dbraw/zinc/58/54/53/569585453.db2.gz KPPUNKSTBMEIEU-UHFFFAOYSA-N 1 0 446.536 3.768 50 0 IHAARO O=C(NCC[NH+]1CCC(c2cccs2)CC1)C(=O)Nc1ccccc1C(F)(F)F ZINC000077104317 569585603 /nfs/dbraw/zinc/58/56/03/569585603.db2.gz JDKQZRBNMNIYCM-UHFFFAOYSA-N 1 0 425.476 3.701 50 0 IHAARO CC(C)(C)c1ccc(C(=O)N2CCC([NH+]3CCC(C(=O)N4CCCC4)CC3)CC2)cc1 ZINC000034912212 569587705 /nfs/dbraw/zinc/58/77/05/569587705.db2.gz XFZPHRVARCFRLC-UHFFFAOYSA-N 1 0 425.617 3.923 50 0 IHAARO O=C(c1cc2c(s1)CC[C@@H](C(=O)N1CC[NH+](C3CCCC3)CC1)C2)N1CCCCCC1 ZINC000065273159 569588236 /nfs/dbraw/zinc/58/82/36/569588236.db2.gz VPBKTPNOYNIIOP-LJQANCHMSA-N 1 0 443.657 3.956 50 0 IHAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)[C@@H]2COc3ccccc3C2)CC1 ZINC000008610340 132288216 /nfs/dbraw/zinc/28/82/16/132288216.db2.gz WGIYBIKCIKDZQN-FQEVSTJZSA-N 1 0 427.976 3.528 50 0 IHAARO C[C@H](C(=O)N1c2ccccc2NC(=O)C1(C)C)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008944177 132298495 /nfs/dbraw/zinc/29/84/95/132298495.db2.gz HINGKRMEOHQUMK-VQIMIIECSA-N 1 0 435.524 3.747 50 0 IHAARO CCn1c2ccccc2c2nnc(NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)nc21 ZINC000009405485 132314967 /nfs/dbraw/zinc/31/49/67/132314967.db2.gz ZAKWQXQACNCNPZ-UHFFFAOYSA-N 1 0 433.535 3.763 50 0 IHAARO CC(C)C[C@]1(C2CC[NH+](Cc3ccncc3)CC2)NC(=O)N(CCc2cccs2)C1=O ZINC000012165006 519424870 /nfs/dbraw/zinc/42/48/70/519424870.db2.gz NJFRBBDMUNWZLV-XMMPIXPASA-N 1 0 440.613 3.935 50 0 IHAARO CCOC(=O)N1CCC([NH+]2CCC(Oc3ccccc3C(=O)N3CCCCC3)CC2)CC1 ZINC000012302560 520922042 /nfs/dbraw/zinc/92/20/42/520922042.db2.gz IVMCDQKALWAIKY-UHFFFAOYSA-N 1 0 443.588 3.777 50 0 IHAARO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+](Cc2cn(CC(N)=O)c3ccccc23)C1 ZINC000012387780 521356265 /nfs/dbraw/zinc/35/62/65/521356265.db2.gz OFMHFGVHAHXCSQ-SANMLTNESA-N 1 0 433.552 3.515 50 0 IHAARO CCOC(=O)c1noc2nc(C)nc(NCC3CC[NH+](CCc4ccc(F)cc4)CC3)c21 ZINC000021539155 521606887 /nfs/dbraw/zinc/60/68/87/521606887.db2.gz ZJRWODOXBSRRLB-UHFFFAOYSA-N 1 0 441.507 3.609 50 0 IHAARO CC[NH+]1CCN(Cc2ccc(NC(=O)COCc3cc(-c4cccs4)on3)cc2)CC1 ZINC000021528199 521688090 /nfs/dbraw/zinc/68/80/90/521688090.db2.gz DPMROPHJCAHNTN-UHFFFAOYSA-N 1 0 440.569 3.696 50 0 IHAARO CC[NH+]1CCN(Cc2ccc(NC(=O)c3noc4c3COc3ccc(C)cc3-4)cc2)CC1 ZINC000020510046 521688733 /nfs/dbraw/zinc/68/87/33/521688733.db2.gz ALLNJCDKDUTYLG-UHFFFAOYSA-N 1 0 432.524 3.932 50 0 IHAARO CCS(=O)(=O)c1cccc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(F)cc3s2)c1 ZINC000012342334 521691092 /nfs/dbraw/zinc/69/10/92/521691092.db2.gz UXKMAZLRLOBBQY-UHFFFAOYSA-N 1 0 449.573 3.828 50 0 IHAARO CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035871438 521745011 /nfs/dbraw/zinc/74/50/11/521745011.db2.gz UNUUSPPVXPCZOS-TZIWHRDSSA-N 1 0 435.465 3.844 50 0 IHAARO COC(=O)c1csc(N2[NH2+]C3=C(C[C@@H](c4ccccc4)CC3)[C@@]2(O)C(F)(F)F)n1 ZINC000016957530 522378492 /nfs/dbraw/zinc/37/84/92/522378492.db2.gz CRGDPZWFEPSJKV-VEVIJQCQSA-N 1 0 425.432 3.941 50 0 IHAARO COc1cc(NC(=O)CC[C@@H]2CCC[N@H+](Cc3cccc(OCCO)c3)C2)cc(OC)c1 ZINC000012707160 522651951 /nfs/dbraw/zinc/65/19/51/522651951.db2.gz OCJPDKGCJIEVBI-IBGZPJMESA-N 1 0 442.556 3.706 50 0 IHAARO COCc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)o1 ZINC000012581980 522971746 /nfs/dbraw/zinc/97/17/46/522971746.db2.gz MMOAMGIEZZQQCB-SFHVURJKSA-N 1 0 430.545 3.752 50 0 IHAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(F)c1)C(c1ccccc1)=N2 ZINC000035372720 523788263 /nfs/dbraw/zinc/78/82/63/523788263.db2.gz YSJMZYUTQDSWME-UHFFFAOYSA-N 1 0 428.508 3.960 50 0 IHAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(Cc3nc4cc(F)ccc4[nH]3)C2)cc1OC ZINC000022851152 523940814 /nfs/dbraw/zinc/94/08/14/523940814.db2.gz WWUCODVWONVCCD-LJQANCHMSA-N 1 0 426.536 3.858 50 0 IHAARO C[NH+](C)C1(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CCCCCC1 ZINC000012605640 524037363 /nfs/dbraw/zinc/03/73/63/524037363.db2.gz HADNKWKHJDAIKC-UHFFFAOYSA-N 1 0 429.586 3.872 50 0 IHAARO COc1ccc(C[NH2+]Cc2cc3ccc(F)cc3n(Cc3ccccn3)c2=O)cc1OC ZINC000012152760 524072930 /nfs/dbraw/zinc/07/29/30/524072930.db2.gz SUPDNCZLVQBVKJ-UHFFFAOYSA-N 1 0 433.483 3.891 50 0 IHAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000012587271 524410231 /nfs/dbraw/zinc/41/02/31/524410231.db2.gz MIPHWIKOSFBHRA-GOSISDBHSA-N 1 0 425.529 3.842 50 0 IHAARO Cc1cccc(CS(=O)(=O)Cc2ccc(C(=O)NCCC[NH+]3CCCCCC3)o2)c1 ZINC000020732882 524450323 /nfs/dbraw/zinc/45/03/23/524450323.db2.gz AJHNODFXMDOGCL-UHFFFAOYSA-N 1 0 432.586 3.699 50 0 IHAARO Cc1cc(C)n(CC(=O)N(C)CC2CC[NH+](CCc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000012707548 524502405 /nfs/dbraw/zinc/50/24/05/524502405.db2.gz YYMKGMPHLNZJOW-UHFFFAOYSA-N 1 0 436.522 3.932 50 0 IHAARO C[C@@H](CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)c(Cl)c1)c1ccccc1 ZINC000035421904 524579824 /nfs/dbraw/zinc/57/98/24/524579824.db2.gz DTLIIHIPEXQZPN-KRWDZBQOSA-N 1 0 431.939 3.547 50 0 IHAARO C[C@H](NC(=O)C1CC1)c1nnc2n1CC[N@@H+](Cc1ccc(-c3ccc(Cl)cc3)o1)CC2 ZINC000020451442 524904794 /nfs/dbraw/zinc/90/47/94/524904794.db2.gz SEOXIORNYROARY-HNNXBMFYSA-N 1 0 439.947 3.837 50 0 IHAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N[C@H](C)Cc2cnccn2)c1 ZINC000012316094 524926325 /nfs/dbraw/zinc/92/63/25/524926325.db2.gz KMCXJZVZTYUIMW-GOSISDBHSA-N 1 0 438.572 3.632 50 0 IHAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[NH2+]CCN1CCC[C@H](O)C1 ZINC000020454280 525013003 /nfs/dbraw/zinc/01/30/03/525013003.db2.gz PIOMJFZRRLFHMG-FQEVSTJZSA-N 1 0 426.511 3.672 50 0 IHAARO Cc1cc(N2CCOCC2)nc2ccc(NC(=S)NCCC[NH+]3CCC(C)CC3)cc12 ZINC000020183189 525085468 /nfs/dbraw/zinc/08/54/68/525085468.db2.gz UZLMXEPEOKTQOT-UHFFFAOYSA-N 1 0 441.645 3.788 50 0 IHAARO Cc1ccccc1CN1CCC([NH+]2CCC(C(=O)N(C)C[C@H]3CCCCO3)CC2)CC1 ZINC000012584671 525138367 /nfs/dbraw/zinc/13/83/67/525138367.db2.gz AWFRESAIJIJBFT-RUZDIDTESA-N 1 0 427.633 3.699 50 0 IHAARO COc1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)[NH+]2CCCC2)cc1 ZINC000021805264 525185640 /nfs/dbraw/zinc/18/56/40/525185640.db2.gz QJVQDGOXQJQEQV-OAQYLSRUSA-N 1 0 449.507 3.688 50 0 IHAARO COc1ccc([C@@H](CNC(=O)c2ccccc2OCc2cn3ccccc3n2)[NH+](C)C)cc1 ZINC000012582887 525187092 /nfs/dbraw/zinc/18/70/92/525187092.db2.gz GAWVFAVISUGDHP-HSZRJFAPSA-N 1 0 444.535 3.955 50 0 IHAARO O=C(NCC[NH+]1CCCC1)C1CCN(c2nc3ccccc3n2Cc2ccccc2F)CC1 ZINC000021158743 526304199 /nfs/dbraw/zinc/30/41/99/526304199.db2.gz XTSQLMSVPAVAQK-UHFFFAOYSA-N 1 0 449.574 3.652 50 0 IHAARO O=C(CC[C@@]1(Cc2ccsc2)CCC(=O)N1)NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000012159925 526564650 /nfs/dbraw/zinc/56/46/50/526564650.db2.gz XRBQKRAVTGVJJZ-URXFXBBRSA-N 1 0 443.588 3.812 50 0 IHAARO O=C(CCn1c(=O)c2cccn2c2ccc(F)cc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000020489888 526667531 /nfs/dbraw/zinc/66/75/31/526667531.db2.gz YGNYHCMXAQEOFR-UHFFFAOYSA-N 1 0 446.526 3.564 50 0 IHAARO O=C(COc1ccccc1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012441183 526980798 /nfs/dbraw/zinc/98/07/98/526980798.db2.gz DIAMRVBMXCTPDL-MHZLTWQESA-N 1 0 448.607 3.952 50 0 IHAARO O=C1N(Cc2cccnc2)C[C@@H]2C[C@@H](c3ccc(Oc4ncccn4)cc3)[N@@H+]3CCC[C@@]123 ZINC000012302206 527039164 /nfs/dbraw/zinc/03/91/64/527039164.db2.gz CEVIBGXJDTYIRV-XTJBDQBJSA-N 1 0 427.508 3.602 50 0 IHAARO Cn1cc(CC[NH2+][C@H]2CCc3c(sc4ncn(CCCc5ccccc5)c(=O)c34)C2)cn1 ZINC000012182708 527193698 /nfs/dbraw/zinc/19/36/98/527193698.db2.gz HBYVNGQPUPADQS-FQEVSTJZSA-N 1 0 447.608 3.514 50 0 IHAARO Cc1ncsc1C(=O)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012385671 527474996 /nfs/dbraw/zinc/47/49/96/527474996.db2.gz FSEQSVCXJLEKSM-HSZRJFAPSA-N 1 0 439.625 3.952 50 0 IHAARO O=C(c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Cl)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000004199812 555976038 /nfs/dbraw/zinc/97/60/38/555976038.db2.gz PKWHNERZGTZPHN-AWEZNQCLSA-N 1 0 449.864 3.989 50 0 IHAARO COc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+](C)C)c1 ZINC000002890317 556149038 /nfs/dbraw/zinc/14/90/38/556149038.db2.gz BBNCOTQGFCEEIL-FQEVSTJZSA-N 1 0 426.900 3.952 50 0 IHAARO O=C(CC[N@@H+]1CCc2ccccc2[C@@](O)(c2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000008667624 556197905 /nfs/dbraw/zinc/19/79/05/556197905.db2.gz PBWHUOGVBCGFKH-MHZLTWQESA-N 1 0 429.516 3.825 50 0 IHAARO CCOc1cc(C[NH2+]CCc2c[nH]c3ccccc23)cc(Br)c1OCC(N)=O ZINC000009225051 556258979 /nfs/dbraw/zinc/25/89/79/556258979.db2.gz OIMBTJYTEJVPPW-UHFFFAOYSA-N 1 0 446.345 3.526 50 0 IHAARO O=S(=O)(NC[C@@H](c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000022920408 556340147 /nfs/dbraw/zinc/34/01/47/556340147.db2.gz XOFZUTNEDQBOSF-VWLOTQADSA-N 1 0 435.593 3.524 50 0 IHAARO Cc1ccc([C@@](O)(CCNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C(F)(F)F)o1 ZINC000032779440 556344801 /nfs/dbraw/zinc/34/48/01/556344801.db2.gz CHHUFPVZAOQIDT-NRFANRHFSA-N 1 0 439.478 3.692 50 0 IHAARO COc1ccc(CC(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3F)C2)cc1OC ZINC000011709461 556347626 /nfs/dbraw/zinc/34/76/26/556347626.db2.gz ZRCYCNXKTZKRIP-HXUWFJFHSA-N 1 0 428.548 3.799 50 0 IHAARO CN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)CC[C@]1(Cc2ccco2)CCC(=O)N1 ZINC000011783428 556351718 /nfs/dbraw/zinc/35/17/18/556351718.db2.gz MIIXYABNRDSKOE-SANMLTNESA-N 1 0 437.584 3.622 50 0 IHAARO COc1cccc(NC(=O)COc2ccc(C(=O)NCC3([NH+](C)C)CCCCC3)cc2)c1 ZINC000014050739 556358549 /nfs/dbraw/zinc/35/85/49/556358549.db2.gz HFSVIZKZUMOLLJ-UHFFFAOYSA-N 1 0 439.556 3.707 50 0 IHAARO CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCC[N@H+](Cc2cccn2-c2ncccn2)C1 ZINC000011838266 556363200 /nfs/dbraw/zinc/36/32/00/556363200.db2.gz GFYXSHWUESURDR-DEOSSOPVSA-N 1 0 440.494 3.934 50 0 IHAARO CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCC[N@H+](Cc2cccn2-c2ncccn2)C1 ZINC000011838265 556363299 /nfs/dbraw/zinc/36/32/99/556363299.db2.gz GFYXSHWUESURDR-XMMPIXPASA-N 1 0 440.494 3.934 50 0 IHAARO COc1ccc(C(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)o1 ZINC000011880051 556372273 /nfs/dbraw/zinc/37/22/73/556372273.db2.gz WJWNHDLONXGARM-QHCPKHFHSA-N 1 0 438.568 3.789 50 0 IHAARO O=C(NCc1cccnc1)C1CC[NH+](C2CCN(Cc3cc4ccccc4o3)CC2)CC1 ZINC000011938008 556379612 /nfs/dbraw/zinc/37/96/12/556379612.db2.gz DNZCTDBVZFYUCR-UHFFFAOYSA-N 1 0 432.568 3.821 50 0 IHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000014183056 556383130 /nfs/dbraw/zinc/38/31/30/556383130.db2.gz XJUMBCLVAXFCCM-UHFFFAOYSA-N 1 0 425.548 3.836 50 0 IHAARO O=C(CCNC(=O)c1ccccc1Cl)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000014228611 556396078 /nfs/dbraw/zinc/39/60/78/556396078.db2.gz OUGIUDPQNZRBRW-UHFFFAOYSA-N 1 0 435.955 3.958 50 0 IHAARO CCN1C[C@@H](C[N@H+](C)Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2F)CC1=O ZINC000012074910 556397234 /nfs/dbraw/zinc/39/72/34/556397234.db2.gz WFZADZDNSMVGPV-GOSISDBHSA-N 1 0 436.531 3.987 50 0 IHAARO Cc1cccn2c(C[NH2+]CCCn3ncc4ccccc43)c(C(=O)N3CCCCC3)nc12 ZINC000012304829 556403319 /nfs/dbraw/zinc/40/33/19/556403319.db2.gz JMARUNDORNWCPN-UHFFFAOYSA-N 1 0 430.556 3.798 50 0 IHAARO C[NH+]1CCN(c2ccc(NC(=O)c3nn(-c4ccc(F)cc4)c4c3CCCCC4)cn2)CC1 ZINC000014521754 556419699 /nfs/dbraw/zinc/41/96/99/556419699.db2.gz DZCWMOXAEJRHEV-UHFFFAOYSA-N 1 0 448.546 3.679 50 0 IHAARO Cc1ccc(F)c(C[NH2+][C@H]2CCc3c(c(C(=O)N(C)Cc4ccco4)nn3C)C2)c1F ZINC000014745599 556440607 /nfs/dbraw/zinc/44/06/07/556440607.db2.gz DBDVVXSLBXLNRY-HNNXBMFYSA-N 1 0 428.483 3.519 50 0 IHAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000014749610 556442976 /nfs/dbraw/zinc/44/29/76/556442976.db2.gz FUZUIAFROKJQSZ-QGZVFWFLSA-N 1 0 446.473 3.951 50 0 IHAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]CCc1nc(-c3ccccc3)cs1)C2 ZINC000014754040 556444492 /nfs/dbraw/zinc/44/44/92/556444492.db2.gz MQYQVPMSXJOGNB-LJQANCHMSA-N 1 0 449.624 3.952 50 0 IHAARO COc1ccccc1CCNC(=O)[C@H]1CC12CC[NH+](Cc1cccc3nccnc13)CC2 ZINC000014882753 556454437 /nfs/dbraw/zinc/45/44/37/556454437.db2.gz OGTSVQUYJAVUSD-OAQYLSRUSA-N 1 0 430.552 3.599 50 0 IHAARO Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NCC[NH+](C(C)C)C(C)C)c2)c1 ZINC000028638025 556457816 /nfs/dbraw/zinc/45/78/16/556457816.db2.gz JOAZMLSDPPVRJH-UHFFFAOYSA-N 1 0 431.602 3.953 50 0 IHAARO CC(=O)c1cccc(OCc2cc(C(=O)NCC3([NH+]4CCCCC4)CCCC3)no2)c1 ZINC000014952015 556460632 /nfs/dbraw/zinc/46/06/32/556460632.db2.gz DIYJBJBSVJFSDI-UHFFFAOYSA-N 1 0 425.529 3.985 50 0 IHAARO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+](Cc2ccc(OC)c(Cn3cncn3)c2)C1 ZINC000014952771 556461187 /nfs/dbraw/zinc/46/11/87/556461187.db2.gz OMVPDXYGXRGOAM-SANMLTNESA-N 1 0 448.567 3.723 50 0 IHAARO COc1cc(NC(=O)CC[C@H]2CCC[N@H+](Cc3cnc(N(C)C)s3)C2)cc(OC)c1 ZINC000014953661 556461595 /nfs/dbraw/zinc/46/15/95/556461595.db2.gz ZTORBCGENKERTP-MRXNPFEDSA-N 1 0 432.590 3.857 50 0 IHAARO COc1ccc([C@H](CNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)[NH+](C)C)cc1 ZINC000028932340 556464155 /nfs/dbraw/zinc/46/41/55/556464155.db2.gz ZOMANXYAYBGNLA-HKUYNNGSSA-N 1 0 433.961 3.571 50 0 IHAARO Cc1c(C(=O)NCC2(c3ccccc3)CCCC2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000014990547 556474711 /nfs/dbraw/zinc/47/47/11/556474711.db2.gz MFKXOUAZQGKDKH-UHFFFAOYSA-N 1 0 449.624 3.993 50 0 IHAARO CC(C)Cc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)cc1 ZINC000014995158 556477235 /nfs/dbraw/zinc/47/72/35/556477235.db2.gz LMGUCYHDTYQCQS-UHFFFAOYSA-N 1 0 449.574 3.647 50 0 IHAARO O=C(Cc1ccccc1F)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000072288922 556482515 /nfs/dbraw/zinc/48/25/15/556482515.db2.gz VEHCUNKQZMZIPJ-UHFFFAOYSA-N 1 0 435.337 3.790 50 0 IHAARO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@H+](Cc2ccccc2OCCO)C1 ZINC000015063130 556490876 /nfs/dbraw/zinc/49/08/76/556490876.db2.gz LDBWEYVJMGUJGD-RUZDIDTESA-N 1 0 427.541 3.672 50 0 IHAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)CCn3cnc4ccccc43)C2)CC1 ZINC000015062620 556491066 /nfs/dbraw/zinc/49/10/66/556491066.db2.gz IOBYFHFHVGHMEO-JOCHJYFZSA-N 1 0 431.584 3.548 50 0 IHAARO O=C(NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1)c1cn(Cc2ccccc2Cl)nn1 ZINC000015064126 556491652 /nfs/dbraw/zinc/49/16/52/556491652.db2.gz ZQKAJOHWZNHXQM-OAQYLSRUSA-N 1 0 427.911 3.686 50 0 IHAARO COc1cc(Br)c(OC)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)c1 ZINC000032899088 556518370 /nfs/dbraw/zinc/51/83/70/556518370.db2.gz VSGKFWDDFMRKQQ-UHFFFAOYSA-N 1 0 448.361 3.779 50 0 IHAARO COc1cc2oc(=O)c(CC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c(C)c2cc1Cl ZINC000043746931 556520830 /nfs/dbraw/zinc/52/08/30/556520830.db2.gz PMNRCGAXPRATRG-KXBFYZLASA-N 1 0 432.948 3.687 50 0 IHAARO COc1cccc(NC(=O)[C@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)c2ccccc2)c1 ZINC000032899559 556531008 /nfs/dbraw/zinc/53/10/08/556531008.db2.gz CGDLWDRFCPPEGW-HSZRJFAPSA-N 1 0 433.508 3.862 50 0 IHAARO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](C(C)C)[NH2+][C@]12C(=O)Nc1ccc(F)cc12 ZINC000013593178 556531255 /nfs/dbraw/zinc/53/12/55/556531255.db2.gz GARRLVSUCDKZGX-JLDZCNIISA-N 1 0 431.895 3.908 50 0 IHAARO COc1ccc(C)cc1NC(=O)[C@H]([NH2+]C[C@@H](C(C)C)N1CCOCC1)c1ccccc1 ZINC000032900794 556535095 /nfs/dbraw/zinc/53/50/95/556535095.db2.gz PVXBBZABLPWDGG-LADGPHEKSA-N 1 0 425.573 3.630 50 0 IHAARO O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000032903050 556542008 /nfs/dbraw/zinc/54/20/08/556542008.db2.gz OVGXDICKOMWASK-APWZRJJASA-N 1 0 449.498 3.899 50 0 IHAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000015859660 556558213 /nfs/dbraw/zinc/55/82/13/556558213.db2.gz MUCOJFNPVCKEBZ-KRWDZBQOSA-N 1 0 425.510 3.741 50 0 IHAARO CCOC(=O)c1c2c(sc1NC(=O)CSc1ncccn1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000015933661 556565744 /nfs/dbraw/zinc/56/57/44/556565744.db2.gz HXVRUNOWHILEAA-UHFFFAOYSA-N 1 0 434.587 3.605 50 0 IHAARO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000072309571 556572150 /nfs/dbraw/zinc/57/21/50/556572150.db2.gz UXLGUCLCGGTVPC-OALUTQOASA-N 1 0 433.593 3.506 50 0 IHAARO CCN(C[C@H]1CCCO1)C(=O)C1CC[NH+](C2CCN(Cc3ccccc3C)CC2)CC1 ZINC000036383450 556597807 /nfs/dbraw/zinc/59/78/07/556597807.db2.gz CANMKGVRDHBYSB-RUZDIDTESA-N 1 0 427.633 3.699 50 0 IHAARO COc1cc(OC)cc([C@H](CC(=O)NCC[NH+]2CCCC2)c2cn(C)c3ccccc23)c1 ZINC000033713880 556625819 /nfs/dbraw/zinc/62/58/19/556625819.db2.gz DUPZTOIUFROGMW-QHCPKHFHSA-N 1 0 435.568 3.930 50 0 IHAARO C[NH+](C)CCNC(=O)Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccccc2)cc1 ZINC000037556782 556645199 /nfs/dbraw/zinc/64/51/99/556645199.db2.gz CZINWBOLQZVOBQ-UHFFFAOYSA-N 1 0 433.527 3.893 50 0 IHAARO COc1ccc(-c2noc(CN(C)CC3CC[NH+](CC(C)C)CC3)n2)c(OC)c1OC ZINC000011843579 556660555 /nfs/dbraw/zinc/66/05/55/556660555.db2.gz UZYBGYSDFDNDEQ-UHFFFAOYSA-N 1 0 432.565 3.562 50 0 IHAARO Cc1oc2cc(OCC[NH+]3CCC(C(N)=O)CC3)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000011866403 556666499 /nfs/dbraw/zinc/66/64/99/556666499.db2.gz KXKDDUIFDSALCU-UHFFFAOYSA-N 1 0 440.927 3.998 50 0 IHAARO COc1cc(C[NH+]2CCC3(CC[C@@H](CNC(=O)c4csc(C)n4)O3)CC2)ccc1F ZINC000011911338 556672168 /nfs/dbraw/zinc/67/21/68/556672168.db2.gz YTXPFDPOAWMTEV-KRWDZBQOSA-N 1 0 433.549 3.543 50 0 IHAARO Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCC[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000032931458 556675247 /nfs/dbraw/zinc/67/52/47/556675247.db2.gz IIENPDMEMXZVOY-SFHVURJKSA-N 1 0 429.586 3.566 50 0 IHAARO CC[NH+]1CCN(c2ccc(NC(=O)C[C@H]3Sc4ccc(Cl)cc4NC3=O)cc2)CC1 ZINC000011952860 556676705 /nfs/dbraw/zinc/67/67/05/556676705.db2.gz WQOITCXVXCRALV-HXUWFJFHSA-N 1 0 444.988 3.924 50 0 IHAARO COc1ccccc1Oc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000032937306 556689906 /nfs/dbraw/zinc/68/99/06/556689906.db2.gz WZPWOJZMVDQQET-GOSISDBHSA-N 1 0 425.529 3.807 50 0 IHAARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000253389816 556696903 /nfs/dbraw/zinc/69/69/03/556696903.db2.gz LKCKDRMAWUHSIF-RNLGNXJRSA-N 1 0 437.499 3.579 50 0 IHAARO CSCC[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)[C@]2([NH2+]1)C(=O)Nc1ccc(Cl)cc12 ZINC000061719046 556726064 /nfs/dbraw/zinc/72/60/64/556726064.db2.gz JOHRRPUZINTVMC-WJPUGNRLSA-N 1 0 433.936 3.996 50 0 IHAARO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)CCc3cccc(F)c3)C2)CC1 ZINC000055132975 556735641 /nfs/dbraw/zinc/73/56/41/556735641.db2.gz VGQKSMIURLIOEX-QFIPXVFZSA-N 1 0 425.548 3.580 50 0 IHAARO CC[NH+](CC)CCn1c(=O)nc(SCC(=O)Nc2ccc(C)cc2)c2c1CCCC2 ZINC000005254386 556747360 /nfs/dbraw/zinc/74/73/60/556747360.db2.gz VUAGXERCMASLPM-UHFFFAOYSA-N 1 0 428.602 3.503 50 0 IHAARO NC(=O)CSc1ccccc1NC(=O)C[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000058178059 556769771 /nfs/dbraw/zinc/76/97/71/556769771.db2.gz GBTQEKLXGPCVPI-UHFFFAOYSA-N 1 0 448.386 3.634 50 0 IHAARO COCC[N@H+](C)Cc1ccc2c(n1)sc(C(=O)OC)c2NC(=O)Cc1cccc(C)c1 ZINC000064137125 556822879 /nfs/dbraw/zinc/82/28/79/556822879.db2.gz VVWAXHRFNSQULC-UHFFFAOYSA-N 1 0 441.553 3.651 50 0 IHAARO COc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)c(F)c1 ZINC000019774168 556913508 /nfs/dbraw/zinc/91/35/08/556913508.db2.gz XCFSNCDXNRXXEA-HXUWFJFHSA-N 1 0 440.563 3.570 50 0 IHAARO O=S(=O)(c1ccc(-c2cc(C(F)(F)F)on2)o1)N1CCC([NH+]2CCCCC2)CC1 ZINC000033263914 556958738 /nfs/dbraw/zinc/95/87/38/556958738.db2.gz IDVOGDAKJCGMRQ-UHFFFAOYSA-N 1 0 433.452 3.592 50 0 IHAARO CCc1nc(C)c(C[N@@H+]2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)[nH]1 ZINC000020137989 556988733 /nfs/dbraw/zinc/98/87/33/556988733.db2.gz NZWCKIYRPBXMNP-HSZRJFAPSA-N 1 0 437.632 3.617 50 0 IHAARO Cc1cccc(C[NH+]2CCC(NC(=O)Cn3cc(C(F)(F)F)cc(Cl)c3=O)CC2)c1 ZINC000048290571 557055080 /nfs/dbraw/zinc/05/50/80/557055080.db2.gz SOXRTVOSPKULRB-UHFFFAOYSA-N 1 0 441.881 3.610 50 0 IHAARO CC[NH+](CC)[C@@H](CNC(=O)[C@H](NC(=O)C1CCCCC1)C(C)C)c1cccc(OC)c1 ZINC000022969338 557055040 /nfs/dbraw/zinc/05/50/40/557055040.db2.gz UUPJTJGJUZKZQU-XZOQPEGZSA-N 1 0 431.621 3.915 50 0 IHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000023175171 557070970 /nfs/dbraw/zinc/07/09/70/557070970.db2.gz AKJJRBWCDJGCJC-NYKZCTJWSA-N 1 0 449.639 3.975 50 0 IHAARO CCCCOc1ccc(C(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)cc1 ZINC000033318286 557099724 /nfs/dbraw/zinc/09/97/24/557099724.db2.gz IWHCNGQYRWZLMW-UHFFFAOYSA-N 1 0 437.588 3.917 50 0 IHAARO O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCCC1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000069922992 557164911 /nfs/dbraw/zinc/16/49/11/557164911.db2.gz VGUXDHGVXTYXJK-UZLBHIALSA-N 1 0 440.510 3.928 50 0 IHAARO CC[NH+](CC)[C@@H](CNC(=O)CCC(=O)c1ccc(OC)c(OC)c1)c1cccc(OC)c1 ZINC000024841419 557173253 /nfs/dbraw/zinc/17/32/53/557173253.db2.gz GSONHUCWEGXZIM-NRFANRHFSA-N 1 0 442.556 3.875 50 0 IHAARO Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc12 ZINC000024968853 557183502 /nfs/dbraw/zinc/18/35/02/557183502.db2.gz RPIQMTJEHMQGKP-IYBDPMFKSA-N 1 0 444.576 3.823 50 0 IHAARO C[C@@H](CNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc21)N1CC[NH+](C)CC1 ZINC000072238678 557204586 /nfs/dbraw/zinc/20/45/86/557204586.db2.gz AGLXLXLVOJAHKA-SFHVURJKSA-N 1 0 428.540 4.000 50 0 IHAARO O=C1C[C@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1Cc1cccs1 ZINC000100188954 557246724 /nfs/dbraw/zinc/24/67/24/557246724.db2.gz KOHBOWIMKVJTCB-QHCPKHFHSA-N 1 0 445.588 3.783 50 0 IHAARO Cc1ccc(N2C(=O)C[C@H](N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)C2=O)cc1Cl ZINC000100161590 557338939 /nfs/dbraw/zinc/33/89/39/557338939.db2.gz SQMJMSGUQNOIQV-KIZRYQFWSA-N 1 0 442.003 3.867 50 0 IHAARO CSCC[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000004872186 557399943 /nfs/dbraw/zinc/39/99/43/557399943.db2.gz DYEZODKJFRWBRH-NYXFWSSLSA-N 1 0 425.683 3.535 50 0 IHAARO Cc1ccc(CS(=O)(=O)Cc2ccc(C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)o2)cc1 ZINC000002966678 562931263 /nfs/dbraw/zinc/93/12/63/562931263.db2.gz XDHRPRFPIIXOAF-PMACEKPBSA-N 1 0 446.613 3.801 50 0 IHAARO Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000003006097 562931536 /nfs/dbraw/zinc/93/15/36/562931536.db2.gz RDILKWROSMTLEO-KDURUIRLSA-N 1 0 446.613 3.801 50 0 IHAARO CC1CC[NH+](CCc2nc3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3n2C)CC1 ZINC000006467797 562946791 /nfs/dbraw/zinc/94/67/91/562946791.db2.gz UGRJTJGRCAXPEK-UHFFFAOYSA-N 1 0 430.549 3.788 50 0 IHAARO C[C@H](Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000006659587 562948138 /nfs/dbraw/zinc/94/81/38/562948138.db2.gz CBWCIYAAMGAWQK-HNNXBMFYSA-N 1 0 426.557 3.865 50 0 IHAARO Cc1nn([C@H](C)C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c(=O)c2c3ccccc3sc21 ZINC000006799183 562948391 /nfs/dbraw/zinc/94/83/91/562948391.db2.gz RIQISVHBIQROHC-DOTOQJQBSA-N 1 0 426.586 3.861 50 0 IHAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cn3c(nnc3-c3ccc(Br)cc3)s2)C1 ZINC000008601096 562955182 /nfs/dbraw/zinc/95/51/82/562955182.db2.gz DOMSJUYBVBJFPO-CQSZACIVSA-N 1 0 449.374 3.995 50 0 IHAARO COc1ccc(CCS(=O)(=O)NCC2CC[NH+](Cc3ccccc3SC)CC2)cc1 ZINC000043959658 568744513 /nfs/dbraw/zinc/74/45/13/568744513.db2.gz KJTSQTJIWOPBBT-UHFFFAOYSA-N 1 0 448.654 3.791 50 0 IHAARO CSc1ccc2cc(C[NH2+]C[C@H]3COc4ccccc4O3)c(N3CCOCC3)nc2c1 ZINC000299794106 568757675 /nfs/dbraw/zinc/75/76/75/568757675.db2.gz JHJRVWAXUYBJMN-IBGZPJMESA-N 1 0 437.565 3.723 50 0 IHAARO CC(C)CCN1C(=O)N(CCCc2ccncc2)C(=O)C12CC[NH+](Cc1ccccn1)CC2 ZINC000014537151 568781481 /nfs/dbraw/zinc/78/14/81/568781481.db2.gz AMQLITBZNDHCCP-UHFFFAOYSA-N 1 0 449.599 3.754 50 0 IHAARO COc1cccc(-n2cc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c3ccccc3c2=O)c1 ZINC000015677227 568804390 /nfs/dbraw/zinc/80/43/90/568804390.db2.gz HZDGGKCQEFDAFM-IBGZPJMESA-N 1 0 433.552 3.994 50 0 IHAARO O=C(C1CCN(c2ccc(-c3cccs3)nn2)CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000015734842 568816452 /nfs/dbraw/zinc/81/64/52/568816452.db2.gz ZKKOFXSKVZNHEZ-UHFFFAOYSA-N 1 0 425.602 3.508 50 0 IHAARO CC(C)[N@H+](C)C1CCN(C(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)CC1 ZINC000015734881 568816534 /nfs/dbraw/zinc/81/65/34/568816534.db2.gz DGRCSTXDIRTRHY-UHFFFAOYSA-N 1 0 427.618 3.753 50 0 IHAARO CC[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1CCN(c2nc3cccnc3s2)CC1 ZINC000015770327 568822265 /nfs/dbraw/zinc/82/22/65/568822265.db2.gz QPUZOAUPEMHEJI-FQEVSTJZSA-N 1 0 437.613 3.935 50 0 IHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000015770400 568822352 /nfs/dbraw/zinc/82/23/52/568822352.db2.gz BOVNIWKOZHHNPB-IBGZPJMESA-N 1 0 435.597 3.689 50 0 IHAARO Cc1c2ccc(O)cc2oc(=O)c1CC(=O)Nc1cccc(OCC[NH+]2CCCCC2)c1 ZINC000524730289 568904129 /nfs/dbraw/zinc/90/41/29/568904129.db2.gz DHTGSUYWVNZCAO-UHFFFAOYSA-N 1 0 436.508 3.853 50 0 biogenic IHAARO C[C@H](C(=O)N1c2ccccc2NC(=O)C1(C)C)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000240626688 568911898 /nfs/dbraw/zinc/91/18/98/568911898.db2.gz HINGKRMEOHQUMK-APWZRJJASA-N 1 0 435.524 3.747 50 0 IHAARO C[NH+](C)CCNC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(F)cc2F)n1 ZINC000036072427 568946082 /nfs/dbraw/zinc/94/60/82/568946082.db2.gz OHVMDUMAULWDHR-UHFFFAOYSA-N 1 0 446.473 3.586 50 0 IHAARO CC1CC[NH+](CCCNC(=O)c2nc(-c3ccc(N4CCCCCC4)cc3)no2)CC1 ZINC000064746571 568949750 /nfs/dbraw/zinc/94/97/50/568949750.db2.gz VPWUOKYUIZMFKU-UHFFFAOYSA-N 1 0 425.577 3.969 50 0 IHAARO Cc1nn(-c2cccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c2)cc1NC(=O)C(C)C ZINC000064757040 568951363 /nfs/dbraw/zinc/95/13/63/568951363.db2.gz SICNHGLEYWZKFK-UHFFFAOYSA-N 1 0 437.588 3.866 50 0 IHAARO Cc1ccccc1-c1nc2cnccn2c1NCCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000064758984 568951794 /nfs/dbraw/zinc/95/17/94/568951794.db2.gz JYKNCUQRLFOQPC-UHFFFAOYSA-N 1 0 446.599 3.984 50 0 IHAARO O=C(NC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@@H]12 ZINC000169677735 568989670 /nfs/dbraw/zinc/98/96/70/568989670.db2.gz LCCATPJKQSSUME-GGAORHGYSA-N 1 0 443.513 3.890 50 0 IHAARO CCOC(=O)c1nc2onc(C)c2c(NCCC[N@H+](Cc2ccco2)C2CCCC2)n1 ZINC000064960125 569000164 /nfs/dbraw/zinc/00/01/64/569000164.db2.gz LCKNLAKCGYBBDR-UHFFFAOYSA-N 1 0 427.505 3.943 50 0 IHAARO CCc1nc(-c2ccccc2)nc(N2CC[NH+](C[C@H](C)O)CC2)c1Cc1ccc(F)cc1 ZINC000036340811 569078525 /nfs/dbraw/zinc/07/85/25/569078525.db2.gz HJOZPBKDNSIENQ-IBGZPJMESA-N 1 0 434.559 3.939 50 0 IHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2cc(C)ccc2C)CC1 ZINC000036344574 569080219 /nfs/dbraw/zinc/08/02/19/569080219.db2.gz XQMPHNIDQVJDKI-VWLOTQADSA-N 1 0 434.584 3.627 50 0 IHAARO Cc1c(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000006840479 569085779 /nfs/dbraw/zinc/08/57/79/569085779.db2.gz BUJLDIAHGYQFGL-IYBDPMFKSA-N 1 0 430.618 3.591 50 0 IHAARO Cc1noc(-c2ccc(S(=O)(=O)NC3CC[NH+](Cc4ccccc4)CC3)s2)c1C ZINC000065031348 569091484 /nfs/dbraw/zinc/09/14/84/569091484.db2.gz CTBOOFUXJIVMAT-UHFFFAOYSA-N 1 0 431.583 3.963 50 0 IHAARO Cc1cc(-n2nnc(C(=O)N3CCC([NH+]4CCCCC4)CC3)c2-c2ccncc2)ccc1F ZINC000065083233 569102151 /nfs/dbraw/zinc/10/21/51/569102151.db2.gz UICIJWQVEGMAPB-UHFFFAOYSA-N 1 0 448.546 3.867 50 0 IHAARO COc1ccc([C@@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)[NH+]2CCCCC2)cc1 ZINC000006937218 569111242 /nfs/dbraw/zinc/11/12/42/569111242.db2.gz JNMDZLBHBAQUQO-HXUWFJFHSA-N 1 0 428.529 3.678 50 0 biogenic IHAARO CCc1nc2c(c(=O)n1CC(=O)Nc1cc(C)cc(C)c1)C[N@H+](Cc1ccccc1)CC2 ZINC000065153550 569112112 /nfs/dbraw/zinc/11/21/12/569112112.db2.gz VWVFQTOOANTCRC-UHFFFAOYSA-N 1 0 430.552 3.620 50 0 IHAARO CCc1cccc(C)c1NC(=O)Cn1c(CC)nc2c(c1=O)C[N@H+](Cc1ccccc1)CC2 ZINC000065153552 569112130 /nfs/dbraw/zinc/11/21/30/569112130.db2.gz PBDSNWHBIIOIPV-UHFFFAOYSA-N 1 0 444.579 3.874 50 0 IHAARO Cc1ccc(N2CCN(C(=O)c3ccnc(N4CC[NH2+][C@H](c5ccccc5)C4)c3)CC2)cc1 ZINC000065255985 569122967 /nfs/dbraw/zinc/12/29/67/569122967.db2.gz SYTKCATZDDASBQ-VWLOTQADSA-N 1 0 441.579 3.503 50 0 IHAARO Cc1cccc(N2CCN(C(=O)c3ccc(N4CC[NH2+][C@@H](c5ccccc5)C4)nc3)CC2)c1 ZINC000065256151 569123227 /nfs/dbraw/zinc/12/32/27/569123227.db2.gz RASUFZFCSLEIPW-RUZDIDTESA-N 1 0 441.579 3.503 50 0 IHAARO Cc1nn(-c2ccc(C)cc2)c2nc(N(C)CC(=O)NCC[NH+]3CCCCCC3)sc12 ZINC000065294022 569131168 /nfs/dbraw/zinc/13/11/68/569131168.db2.gz QYBKKKVXTQEEPT-UHFFFAOYSA-N 1 0 440.617 3.527 50 0 IHAARO [NH2+]=C1NC(SCC(=O)Nc2ccc(F)c(Cl)c2)=N[C@@H](c2c[nH]c3ccccc32)N1 ZINC000013579094 569156160 /nfs/dbraw/zinc/15/61/60/569156160.db2.gz XXXLTLJMLYPTMJ-KRWDZBQOSA-N 1 0 430.896 3.605 50 0 IHAARO COc1ccc(N(C[C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000016839626 569163048 /nfs/dbraw/zinc/16/30/48/569163048.db2.gz DPPITQLJNRVYME-JAXLGGSGSA-N 1 0 446.613 3.823 50 0 IHAARO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000089977225 569169420 /nfs/dbraw/zinc/16/94/20/569169420.db2.gz AXPCQQSIPRHGRX-LJQANCHMSA-N 1 0 428.529 3.545 50 0 IHAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccccc3Br)CC2)[nH+]1 ZINC000017012548 569170691 /nfs/dbraw/zinc/17/06/91/569170691.db2.gz ARNNVWUCASJNPZ-UHFFFAOYSA-N 1 0 444.377 3.500 50 0 IHAARO COc1ccccc1N1CC[NH+](C[C@@H](O)COCCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000017112911 569174156 /nfs/dbraw/zinc/17/41/56/569174156.db2.gz VNBQMHNPLUSPSM-JOCHJYFZSA-N 1 0 442.600 3.571 50 0 IHAARO Nc1c2c(nn1Cc1ccccc1)nc(NCC[NH+]1CCCC1)nc2-c1cccc(F)c1 ZINC000037360322 569181466 /nfs/dbraw/zinc/18/14/66/569181466.db2.gz BWZYSSIOMLSHLQ-UHFFFAOYSA-N 1 0 431.519 3.771 50 0 IHAARO FC(F)(F)c1ccc(N2CCN(C3CC[NH+](CCOc4ccccc4)CC3)CC2)nc1 ZINC000252509815 569188481 /nfs/dbraw/zinc/18/84/81/569188481.db2.gz YWEXXNDPCOXXNM-UHFFFAOYSA-N 1 0 434.506 3.766 50 0 IHAARO CC[NH+](CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(OC)c1OC ZINC000002400474 569299520 /nfs/dbraw/zinc/29/95/20/569299520.db2.gz PZPGBUWEXDLINY-NRFANRHFSA-N 1 0 436.508 3.697 50 0 IHAARO O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000013163385 569312408 /nfs/dbraw/zinc/31/24/08/569312408.db2.gz DADTVRZXXOCOJZ-QFIPXVFZSA-N 1 0 429.520 3.599 50 0 IHAARO COc1ccc(C2([NH2+]Cc3cc(OC)c(OCC(N)=O)c(OC)c3)CCCCCC2)cc1 ZINC000078869788 569319561 /nfs/dbraw/zinc/31/95/61/569319561.db2.gz GCXAEHPAESMNQL-UHFFFAOYSA-N 1 0 442.556 3.916 50 0 IHAARO COc1ccc2c(C)c(CCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c(=O)oc2c1C ZINC000079191951 569328026 /nfs/dbraw/zinc/32/80/26/569328026.db2.gz BNENPFSHOGSPLL-GHTZIAJQSA-N 1 0 426.557 3.732 50 0 biogenic IHAARO COc1ccc(CN2C(=O)c3ccccc3[C@@H]2C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000020152529 569353420 /nfs/dbraw/zinc/35/34/20/569353420.db2.gz IOCWLLOYZJKDJP-OHUGHZGNSA-N 1 0 449.595 3.877 50 0 IHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)Oc2ccccc21 ZINC000020180665 569355107 /nfs/dbraw/zinc/35/51/07/569355107.db2.gz LCOOPOKSONDHFX-VZMFNRANSA-N 1 0 439.943 3.707 50 0 IHAARO O=C(CN1C(=O)/C(=C/c2ccccc2F)Oc2ccccc21)NCC[NH+]1CCCCCC1 ZINC000020180735 569355169 /nfs/dbraw/zinc/35/51/69/569355169.db2.gz VCNNAVFDALWBQW-QJOMJCCJSA-N 1 0 437.515 3.584 50 0 IHAARO Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000095427334 569366011 /nfs/dbraw/zinc/36/60/11/569366011.db2.gz BAAGPUPMJNWUNK-RPBOFIJWSA-N 1 0 444.579 3.955 50 0 IHAARO C[N@@H+]1CC[C@H]2CCN(c3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c43)[C@@H]2C1 ZINC000095466035 569370802 /nfs/dbraw/zinc/37/08/02/569370802.db2.gz PAONISKTPOCKSH-PZJWPPBQSA-N 1 0 449.624 3.721 50 0 IHAARO CCOc1ccc(C[C@H](C[NH2+]Cc2ccccc2OC[C@@H]2CCCO2)C(=O)OC)cc1 ZINC000095467745 569371198 /nfs/dbraw/zinc/37/11/98/569371198.db2.gz PJXUKEBVCJHWAX-GGAORHGYSA-N 1 0 427.541 3.765 50 0 IHAARO Cn1c2cc(-c3cccc(C(=O)NCC4([NH+]5CCCCC5)CCCCC4)c3)cnc2[nH]c1=O ZINC000095945770 569375931 /nfs/dbraw/zinc/37/59/31/569375931.db2.gz KLXKUUPTZDZYCY-UHFFFAOYSA-N 1 0 447.583 3.847 50 0 IHAARO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCc1nnc(C(=O)NCc2ccc(C)cc2)s1 ZINC000095946108 569376072 /nfs/dbraw/zinc/37/60/72/569376072.db2.gz AMJMOUZGVXPIDZ-WOJBJXKFSA-N 1 0 429.634 3.767 50 0 IHAARO CC(C)C[NH+]1CCN(C(=O)[C@H]2CCc3sc(C(=O)N4CCCCCC4)cc3C2)CC1 ZINC000096398424 569399660 /nfs/dbraw/zinc/39/96/60/569399660.db2.gz GZKZGOMTQREIPV-IBGZPJMESA-N 1 0 431.646 3.669 50 0 IHAARO COc1ccc2c(c1)CN(C(=O)Nc1ccn(CC[NH+](C)C)n1)[C@H](C1CCCCC1)C2 ZINC000097164718 569403262 /nfs/dbraw/zinc/40/32/62/569403262.db2.gz YCJBFJWJJHYEOV-QFIPXVFZSA-N 1 0 425.577 3.992 50 0 IHAARO Cc1cccc(N2CCN(CC(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)CC2)c1 ZINC000029801910 569433701 /nfs/dbraw/zinc/43/37/01/569433701.db2.gz TVALCHFFFCZIOG-XMMPIXPASA-N 1 0 441.019 3.724 50 0 IHAARO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1cc(C(F)(F)F)ccc1Cl ZINC000670444923 569452807 /nfs/dbraw/zinc/45/28/07/569452807.db2.gz KZFPBPSZOQPPAR-BGWLNWIQSA-N 1 0 449.904 3.656 50 0 IHAARO O=C(CCc1ncc(-c2c(F)cccc2F)o1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000032195132 569460707 /nfs/dbraw/zinc/46/07/07/569460707.db2.gz XZNHFFYMQFQXGI-UHFFFAOYSA-N 1 0 433.499 3.704 50 0 IHAARO Cc1ccc(C)c(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@H](O)[C@H]34)CC2)c1 ZINC000059415229 569461299 /nfs/dbraw/zinc/46/12/99/569461299.db2.gz LSGWJALQGUMIRM-VMAPLMQKSA-N 1 0 438.612 3.710 50 0 biogenic IHAARO CN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008945566 569489033 /nfs/dbraw/zinc/48/90/33/569489033.db2.gz BHBGHHBPPDZNRD-GOSISDBHSA-N 1 0 437.565 3.906 50 0 IHAARO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]3CCC[N@@H+]3[C@]23c2cc(C)cc(C)c2NC3=O)c1 ZINC000008972285 569492818 /nfs/dbraw/zinc/49/28/18/569492818.db2.gz LLXSEQNQXCDXQL-IYJATWDHSA-N 1 0 435.524 3.591 50 0 IHAARO C[C@@H]1CN(S(=O)(=O)CC[NH2+]Cc2ccc(-c3ccccc3Cl)s2)C[C@@H](C)O1 ZINC000040153283 569493542 /nfs/dbraw/zinc/49/35/42/569493542.db2.gz XIKBUJVEMHEGKR-HUUCEWRRSA-N 1 0 429.007 3.597 50 0 IHAARO Cc1cc(=O)c(C(=O)NCc2ccc(C[N@@H+](C)C(C)C)cc2)nn1-c1ccc(Cl)cc1 ZINC000040156448 569494113 /nfs/dbraw/zinc/49/41/13/569494113.db2.gz IRJPHUXPLLTSOV-UHFFFAOYSA-N 1 0 438.959 3.965 50 0 IHAARO COc1ccc(NC(=O)[C@@H]2C[C@H](CCSC)[NH2+][C@@]23C(=O)Nc2ccc(C)cc23)cc1 ZINC000008995772 569495675 /nfs/dbraw/zinc/49/56/75/569495675.db2.gz FAPYWKDYRHITMC-BTCOZLQPSA-N 1 0 425.554 3.521 50 0 IHAARO C[NH+](C)C1CCN(C(=O)c2csc(NC(=O)c3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000040355528 569499777 /nfs/dbraw/zinc/49/97/77/569499777.db2.gz DSZCIMMZQLKTGI-UHFFFAOYSA-N 1 0 427.357 3.868 50 0 IHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1csc(NC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000040355499 569499802 /nfs/dbraw/zinc/49/98/02/569499802.db2.gz SELUQZBDNNJMAA-LBPRGKRZSA-N 1 0 427.357 3.916 50 0 IHAARO C[NH+]1CCN(c2nc3nn(-c4ccc(Cl)cc4)c(N)c3c(-c3ccccc3F)n2)CC1 ZINC000040386844 569500907 /nfs/dbraw/zinc/50/09/07/569500907.db2.gz PTGWLJQVZOUESG-UHFFFAOYSA-N 1 0 437.910 3.609 50 0 IHAARO COc1ccc(NC(=O)[C@H]2C[C@H](CCSC)[NH2+][C@]23C(=O)Nc2ccc(C)cc23)cc1 ZINC000009129762 569505840 /nfs/dbraw/zinc/50/58/40/569505840.db2.gz FAPYWKDYRHITMC-QUZZAMIASA-N 1 0 425.554 3.521 50 0 IHAARO CC[NH+](CC)CCCNC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc21 ZINC000009190746 569510598 /nfs/dbraw/zinc/51/05/98/569510598.db2.gz LDTCAPXIZZLRIA-RUZDIDTESA-N 1 0 432.568 3.951 50 0 IHAARO O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCc1ccccc1C[NH+]1CCCCC1 ZINC000009366377 569526255 /nfs/dbraw/zinc/52/62/55/569526255.db2.gz QVEJPACTYGWAAJ-UHFFFAOYSA-N 1 0 427.932 3.940 50 0 IHAARO Cc1nn(-c2ccccc2)cc1-c1noc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000015729672 569539501 /nfs/dbraw/zinc/53/95/01/569539501.db2.gz BUJBBEGRYZTRGY-UHFFFAOYSA-N 1 0 442.523 3.625 50 0 IHAARO COc1cc2c(C(=O)NCCC[NH+]3CCC(C)CC3)cn(CC(C)C)c(=O)c2cc1OC ZINC000009673389 569558900 /nfs/dbraw/zinc/55/89/00/569558900.db2.gz LEFKZWTYPSGSPT-UHFFFAOYSA-N 1 0 443.588 3.527 50 0 IHAARO O=C(Nc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1)C1=CSCCO1 ZINC000009737888 569564853 /nfs/dbraw/zinc/56/48/53/569564853.db2.gz DXPXXFISNSKYMY-UHFFFAOYSA-N 1 0 437.565 3.624 50 0 IHAARO CC[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccccc1NC(=O)C1=CSCCO1 ZINC000009739395 569565022 /nfs/dbraw/zinc/56/50/22/569565022.db2.gz BZMMYBKUIVEJHQ-IBGZPJMESA-N 1 0 439.581 3.870 50 0 IHAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)C1CCN(C(=O)c2cc3sccc3n2C)CC1 ZINC000009847807 569571198 /nfs/dbraw/zinc/57/11/98/569571198.db2.gz PKQGZZUECBCKNX-HDICACEKSA-N 1 0 444.645 3.861 50 0 IHAARO Cc1ccc2c(c1)-c1c(cnn1CC(=O)NCC[NH+]1CCC(Cc3ccccc3)CC1)CO2 ZINC000009857731 569571653 /nfs/dbraw/zinc/57/16/53/569571653.db2.gz RSNOCGLBUGENAB-UHFFFAOYSA-N 1 0 444.579 3.822 50 0 IHAARO C[N@@H+]1CCc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc2C1 ZINC000144077884 569577513 /nfs/dbraw/zinc/57/75/13/569577513.db2.gz KKISLZKMBSCLSS-UHFFFAOYSA-N 1 0 434.588 3.804 50 0 in-vitro IHAARO COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2cccc(OC(C)C)c2)N(CC[NH+](C)C)C1=O ZINC000010233189 569579488 /nfs/dbraw/zinc/57/94/88/569579488.db2.gz HCLYJSIJYUFXFQ-JOCHJYFZSA-N 1 0 436.508 3.696 50 0 IHAARO O=C(NCCC[NH+]1CCCCC1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000010279673 569580448 /nfs/dbraw/zinc/58/04/48/569580448.db2.gz DFYDZILYNMLXBE-UHFFFAOYSA-N 1 0 442.025 3.511 50 0 IHAARO Cc1nnc(-c2cc(C(C)(C)C)n(-c3ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc3)n2)o1 ZINC000023333840 569587201 /nfs/dbraw/zinc/58/72/01/569587201.db2.gz NMNBINGSUVXQIR-UHFFFAOYSA-N 1 0 438.576 3.846 50 0 IHAARO CC[NH+](CC)[C@H](CNC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)c1ccccc1 ZINC000010080521 132334555 /nfs/dbraw/zinc/33/45/55/132334555.db2.gz MKFHCFHDOQGJPA-XMMPIXPASA-N 1 0 440.563 3.943 50 0 IHAARO CC(C)C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](C/C=C/c1ccccc1)CC2 ZINC000012148917 519393950 /nfs/dbraw/zinc/39/39/50/519393950.db2.gz CNBZQMNEUZLLCA-ISPXXFMDSA-N 1 0 433.556 3.960 50 0 IHAARO CC(C)[NH+](CCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)C(C)C ZINC000016600118 519648197 /nfs/dbraw/zinc/64/81/97/519648197.db2.gz YOTPYHURRMUBPD-UHFFFAOYSA-N 1 0 437.993 3.989 50 0 IHAARO CC(C)N(Cc1nccn1C)C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000012430598 519664244 /nfs/dbraw/zinc/66/42/44/519664244.db2.gz IYORKJHGOYKISB-UHFFFAOYSA-N 1 0 447.583 3.909 50 0 IHAARO CC[NH+](CC)CCN(C)C(=O)c1cnn(-c2nccc(-c3cccc(OC)c3)n2)c1C1CC1 ZINC000012279913 520639582 /nfs/dbraw/zinc/63/95/82/520639582.db2.gz VHYWLQJDIFNGCG-UHFFFAOYSA-N 1 0 448.571 3.629 50 0 IHAARO CC[NH+](CC)CCN1C(=O)c2cc3oc(C)cc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021810854 520663959 /nfs/dbraw/zinc/66/39/59/520663959.db2.gz JDYYEAODNDAOJS-DEOSSOPVSA-N 1 0 428.577 3.548 50 0 IHAARO CC[NH+](CC)CCNC(=O)[C@@H](C)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035562049 520678536 /nfs/dbraw/zinc/67/85/36/520678536.db2.gz XXDFHEAMPGZQGU-INIZCTEOSA-N 1 0 432.996 3.768 50 0 IHAARO CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1cccc(OC)c1 ZINC000022700916 520833008 /nfs/dbraw/zinc/83/30/08/520833008.db2.gz DBCOHNAFJVEPFS-FPOVZHCZSA-N 1 0 427.570 3.697 50 0 IHAARO CCOC(=O)N1CCC(N(CC[NH+](C)C)C(=S)Nc2ccc(OC)c(Cl)c2)CC1 ZINC000020724236 520922293 /nfs/dbraw/zinc/92/22/93/520922293.db2.gz TUIKDYLGMXFXJC-UHFFFAOYSA-N 1 0 443.013 3.530 50 0 IHAARO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@H+](Cc2cccc(OCCO)c2)C1 ZINC000012711060 521353251 /nfs/dbraw/zinc/35/32/51/521353251.db2.gz NBGRHOQHVSXXFF-VWLOTQADSA-N 1 0 427.541 3.672 50 0 IHAARO CCOC(=O)c1nc2onc(C)c2c(NCC2CC[NH+](Cc3ccccc3F)CC2)n1 ZINC000021646306 521600365 /nfs/dbraw/zinc/60/03/65/521600365.db2.gz FRIKVBHSHBLZNN-UHFFFAOYSA-N 1 0 427.480 3.566 50 0 IHAARO CC[NH+]1CCN(CCNC(=O)c2ccc(-c3nc(COc4ccccc4)c(C)o3)cc2)CC1 ZINC000020560121 521683596 /nfs/dbraw/zinc/68/35/96/521683596.db2.gz XEXYJNFETVKLKZ-UHFFFAOYSA-N 1 0 448.567 3.596 50 0 IHAARO COC(=O)c1ccc(C[NH+]2CCC(c3nnc(SCc4ccncc4)n3C)CC2)cc1 ZINC000012191293 522006753 /nfs/dbraw/zinc/00/67/53/522006753.db2.gz ALNMFBIUGAEDAB-UHFFFAOYSA-N 1 0 437.569 3.669 50 0 IHAARO COCCn1c(C)cc(O)c([C@@H](c2cccnc2)[NH+]2CCC(Cc3ccccc3)CC2)c1=O ZINC000022697861 522064671 /nfs/dbraw/zinc/06/46/71/522064671.db2.gz BRIBYKOEUGRNKZ-AREMUKBSSA-N 1 0 447.579 3.948 50 0 IHAARO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000012857348 522143884 /nfs/dbraw/zinc/14/38/84/522143884.db2.gz UEKVKIUUCNQONB-QZTJIDSGSA-N 1 0 426.538 3.702 50 0 IHAARO COc1cc(CNCc2csc(C)n2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012707483 522470476 /nfs/dbraw/zinc/47/04/76/522470476.db2.gz YDGYKZZLLFRJIK-OAQYLSRUSA-N 1 0 433.618 3.754 50 0 IHAARO C[N@H+](CCNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1)C1CCCCC1 ZINC000020978031 522870001 /nfs/dbraw/zinc/87/00/01/522870001.db2.gz CNZMLSNSPJMVJP-UHFFFAOYSA-N 1 0 437.509 3.965 50 0 IHAARO COCCNC(=O)c1ccc(OC2CC[NH+]([C@H](C)Cc3ccc(C)cn3)CC2)c(Cl)c1 ZINC000012299571 523925640 /nfs/dbraw/zinc/92/56/40/523925640.db2.gz FBHCUSITMYUNHN-GOSISDBHSA-N 1 0 445.991 3.894 50 0 IHAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000012385344 523926630 /nfs/dbraw/zinc/92/66/30/523926630.db2.gz YVGUVSCZMBJVRB-ONEGZZNKSA-N 1 0 442.531 3.767 50 0 IHAARO CCc1ccc([C@@H](Cn2cnc3c4c(sc3c2=O)SCC(=O)N4)[NH+]2CCCC2)cc1 ZINC000035671569 524031980 /nfs/dbraw/zinc/03/19/80/524031980.db2.gz GPDURFMIQAYBHW-MRXNPFEDSA-N 1 0 440.594 3.902 50 0 IHAARO CN1c2ccc(S(=O)(=O)N3CCC([NH+]4CCCCC4)CC3)cc2C(=C2CCCC2)C1=O ZINC000021151606 524032710 /nfs/dbraw/zinc/03/27/10/524032710.db2.gz RAWSMLOAOYZTKK-UHFFFAOYSA-N 1 0 443.613 3.630 50 0 IHAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3ccc4nonc4c3)C2)c(OC)c1 ZINC000012571184 524048207 /nfs/dbraw/zinc/04/82/07/524048207.db2.gz GMVZKVCEJQZJLL-QGZVFWFLSA-N 1 0 438.528 3.549 50 0 IHAARO C[NH+](C)CCCN(C(=O)CCS(=O)(=O)c1ccc(F)cc1)c1nc2ccccc2s1 ZINC000012342220 524053343 /nfs/dbraw/zinc/05/33/43/524053343.db2.gz JJLHDBHDSHECQX-UHFFFAOYSA-N 1 0 449.573 3.584 50 0 IHAARO C[NH+](C)CCCNc1nnnc2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3 ZINC000012409062 524057621 /nfs/dbraw/zinc/05/76/21/524057621.db2.gz LOIRNUHUDVEJGH-UHFFFAOYSA-N 1 0 425.606 3.867 50 0 IHAARO COc1ccc(CNC(=O)c2ccc(OC)c(OC3CC[NH+](C(C)C)CC3)c2)cc1OC ZINC000012583621 524066504 /nfs/dbraw/zinc/06/65/04/524066504.db2.gz IULSMAQTJYXQNB-UHFFFAOYSA-N 1 0 442.556 3.894 50 0 IHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ncoc1-c1ccccc1C(=O)N1CCCCC1 ZINC000035460759 524102871 /nfs/dbraw/zinc/10/28/71/524102871.db2.gz ZWRITGYSHXMHQV-LJQANCHMSA-N 1 0 438.572 3.962 50 0 IHAARO COc1cccc([C@H](CNC(=O)CCc2nc(-c3ccc(C)cc3)no2)[NH+]2CCCC2)c1 ZINC000012911999 524158560 /nfs/dbraw/zinc/15/85/60/524158560.db2.gz RHGJHZJSIFVCMF-QFIPXVFZSA-N 1 0 434.540 3.940 50 0 IHAARO COc1ccc(N(C[C@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000035590782 524367255 /nfs/dbraw/zinc/36/72/55/524367255.db2.gz DPPITQLJNRVYME-RZUBCFFCSA-N 1 0 446.613 3.823 50 0 IHAARO Cc1ccc(CN(C)Cc2c(C(=O)N3CC[NH+](C4CCCCC4)CC3)nc3ccccn32)o1 ZINC000012300649 524390770 /nfs/dbraw/zinc/39/07/70/524390770.db2.gz FSSMYOLLQDCSEL-UHFFFAOYSA-N 1 0 449.599 3.958 50 0 IHAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000012587265 524409888 /nfs/dbraw/zinc/40/98/88/524409888.db2.gz MIPHWIKOSFBHRA-SFHVURJKSA-N 1 0 425.529 3.842 50 0 IHAARO Cc1ccc(C[NH+]2CCC3(CC2)N=C(c2ccc(Br)cc2)C(=O)N3)c(C)c1 ZINC000035430884 524444404 /nfs/dbraw/zinc/44/44/04/524444404.db2.gz XNMKOAFKDGFZFE-UHFFFAOYSA-N 1 0 426.358 3.977 50 0 biogenic IHAARO COc1ccc(NC(=O)[C@@H]2C[C@H](CCSC)[NH2+][C@]23C(=O)Nc2c3cc(C)cc2C)cc1 ZINC000035828061 524600851 /nfs/dbraw/zinc/60/08/51/524600851.db2.gz ZYNUTHFIZQWYSX-REIDKSKDSA-N 1 0 439.581 3.829 50 0 IHAARO COc1ccccc1OC[C@@H](O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022802826 524682014 /nfs/dbraw/zinc/68/20/14/524682014.db2.gz YJZFPFOXKGDUEG-DEOSSOPVSA-N 1 0 432.564 3.842 50 0 IHAARO Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc2)c1C ZINC000012740194 524689708 /nfs/dbraw/zinc/68/97/08/524689708.db2.gz QSBBVXHYTKZYOI-UHFFFAOYSA-N 1 0 431.602 3.953 50 0 IHAARO COc1ccccc1[C@@H](CNC(=O)CCc1nc(-c2ccc(C)cc2)no1)[NH+]1CCCC1 ZINC000012797266 524734682 /nfs/dbraw/zinc/73/46/82/524734682.db2.gz QMLAZTGRVZZTDL-OAQYLSRUSA-N 1 0 434.540 3.940 50 0 IHAARO Cc1cc(CNC(=O)c2ccc(OC3CC[NH+](CCc4ccccc4)CC3)cc2)nn1C ZINC000012596437 524746177 /nfs/dbraw/zinc/74/61/77/524746177.db2.gz OEWHNMFKHRWKDY-UHFFFAOYSA-N 1 0 432.568 3.744 50 0 IHAARO Cc1ccc(F)cc1C[NH2+][C@@H]1CCc2c(sc3ncn(Cc4ccccn4)c(=O)c23)C1 ZINC000020234605 524852510 /nfs/dbraw/zinc/85/25/10/524852510.db2.gz WFDDGUOALINMQE-GOSISDBHSA-N 1 0 434.540 3.996 50 0 IHAARO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H](C(C)C)[NH2+][C@]23C(=O)Nc2c3cccc2Cl)c1 ZINC000035828275 524863053 /nfs/dbraw/zinc/86/30/53/524863053.db2.gz FWLWZNRQCPFTRS-JCEJCQQGSA-N 1 0 443.931 3.777 50 0 IHAARO COc1ccc([C@@H]2C[C@H]3CN(C4Cc5ccccc5C4)C(=O)[C@]34CCC[N@H+]24)c(OC)c1OC ZINC000012453458 525265490 /nfs/dbraw/zinc/26/54/90/525265490.db2.gz HBLPWUFQUNMZIL-JNMBUGSCSA-N 1 0 448.563 3.618 50 0 IHAARO COc1ccc([C@H]2CCCCC[N@@H+]2Cc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000012751024 525409406 /nfs/dbraw/zinc/40/94/06/525409406.db2.gz GWMZYLIVAVXMJO-XMMPIXPASA-N 1 0 444.597 3.833 50 0 IHAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]1[C@H](C(=O)NCc1ccco1)C2 ZINC000035871753 525551742 /nfs/dbraw/zinc/55/17/42/525551742.db2.gz FJCDEONHGRMNGD-ILBGXUMGSA-N 1 0 449.526 3.607 50 0 IHAARO Cc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)sc2nc(-c3ccco3)nc(C)c12 ZINC000022509384 525658328 /nfs/dbraw/zinc/65/83/28/525658328.db2.gz AQKZJRAWXAOYOZ-UHFFFAOYSA-N 1 0 448.552 3.967 50 0 IHAARO CSC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(C1Cc3ccccc3C1)C(=O)N2CC(C)C ZINC000014740681 525685164 /nfs/dbraw/zinc/68/51/64/525685164.db2.gz POTAUBNZOKARDF-SFHVURJKSA-N 1 0 429.630 3.660 50 0 IHAARO C[C@H]1CC(=O)Nc2cc(S(=O)(=O)Nc3cccc(C[NH+]4CCCC4)c3)ccc2S1 ZINC000020977388 526216962 /nfs/dbraw/zinc/21/69/62/526216962.db2.gz ZPFGGTHGHBTAIL-HNNXBMFYSA-N 1 0 431.583 3.906 50 0 IHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CCC(=O)N1Cc2ccccc2Oc2ncccc21 ZINC000020944267 526246520 /nfs/dbraw/zinc/24/65/20/526246520.db2.gz YRQOEPKCYLCBPK-IBGZPJMESA-N 1 0 436.556 3.881 50 0 IHAARO Fc1ccc(-c2csc3ncnc(NCCC[NH+]4CCN(c5ncccn5)CC4)c23)cc1 ZINC000012771667 526315555 /nfs/dbraw/zinc/31/55/55/526315555.db2.gz GGMSGBRAZZTSON-UHFFFAOYSA-N 1 0 449.559 3.912 50 0 IHAARO Cc1nc(-c2ccccc2F)sc1C(=O)NCC1(N2CC[NH+](C)CC2)CCCCC1 ZINC000020676121 526605513 /nfs/dbraw/zinc/60/55/13/526605513.db2.gz LMOGKYVXRHIDRL-UHFFFAOYSA-N 1 0 430.593 3.938 50 0 IHAARO O=C(CN1CC[NH+](Cc2cccc3ccccc32)CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000022797117 526775379 /nfs/dbraw/zinc/77/53/79/526775379.db2.gz RYBGMCJIBPJSQS-UHFFFAOYSA-N 1 0 442.563 3.723 50 0 IHAARO O=C(N[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1)C1CC[NH+](Cc2ccco2)CC1 ZINC000020454010 527025675 /nfs/dbraw/zinc/02/56/75/527025675.db2.gz TUPXFJUXCYOUPX-SFHVURJKSA-N 1 0 436.478 3.691 50 0 IHAARO Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000012683823 527156963 /nfs/dbraw/zinc/15/69/63/527156963.db2.gz JTHKAIIYZHBIDV-QHCPKHFHSA-N 1 0 442.519 3.854 50 0 IHAARO O=S(=O)(Nc1ccc(N2CCC([NH2+]CCc3ccccn3)CC2)cc1)c1ccccc1 ZINC000012245625 527250272 /nfs/dbraw/zinc/25/02/72/527250272.db2.gz KOHPCYBGOAJJDS-UHFFFAOYSA-N 1 0 436.581 3.684 50 0 IHAARO O=C(Cc1ccncc1)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012314745 527305888 /nfs/dbraw/zinc/30/58/88/527305888.db2.gz YUTCWKACSZRFLR-QHCPKHFHSA-N 1 0 425.548 3.683 50 0 IHAARO Cn1cnnc1Sc1ccc([C@@H]2C[C@H]3CN(CCc4ccccc4)C(=O)[C@]34CCC[N@H+]24)o1 ZINC000012585973 527531454 /nfs/dbraw/zinc/53/14/54/527531454.db2.gz ACEUPGWINNMXPW-JXQFQVJHSA-N 1 0 449.580 3.540 50 0 IHAARO Cn1nc(C(=O)NCc2ccncc2)c2c1CC[C@H]([NH2+]CC1(c3ccccc3)CCCC1)C2 ZINC000014733458 527546691 /nfs/dbraw/zinc/54/66/91/527546691.db2.gz UAEWUWYXWCRBPB-QFIPXVFZSA-N 1 0 443.595 3.704 50 0 IHAARO CC[NH+](CC)CCNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 ZINC000002281165 535542158 /nfs/dbraw/zinc/54/21/58/535542158.db2.gz BDSHHQZMJSYVRC-UHFFFAOYSA-N 1 0 440.617 3.709 50 0 IHAARO CC[NH+]1CCN(c2ccccc2NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000009469678 535753846 /nfs/dbraw/zinc/75/38/46/535753846.db2.gz MYYNIQVGGPDWNA-UHFFFAOYSA-N 1 0 435.572 3.711 50 0 IHAARO C[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1 ZINC000009223969 536424183 /nfs/dbraw/zinc/42/41/83/536424183.db2.gz SFDIDWHMZOOYRP-LJQANCHMSA-N 1 0 440.975 3.583 50 0 IHAARO CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)C(C)C ZINC000034835483 555913813 /nfs/dbraw/zinc/91/38/13/555913813.db2.gz ZHWANZZUIFLEEH-UHFFFAOYSA-N 1 0 429.584 3.856 50 0 IHAARO C[NH+](C)CCNC(=O)c1cn2c(n1)CC[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000034899131 555928527 /nfs/dbraw/zinc/92/85/27/555928527.db2.gz ZECFVOOULZGYMM-LBPRGKRZSA-N 1 0 448.411 3.942 50 0 IHAARO C[NH+](C)CCN(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)C(C)(C)C ZINC000034921474 555931815 /nfs/dbraw/zinc/93/18/15/555931815.db2.gz OJMCMIXCOSOFGB-UHFFFAOYSA-N 1 0 436.549 3.530 50 0 IHAARO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000008444523 556178953 /nfs/dbraw/zinc/17/89/53/556178953.db2.gz ZZONEMKGSZAFDE-UHFFFAOYSA-N 1 0 444.929 3.977 50 0 IHAARO Cn1nnnc1SCCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000008654581 556196951 /nfs/dbraw/zinc/19/69/51/556196951.db2.gz AAMDBHPARRHOIX-UHFFFAOYSA-N 1 0 448.390 3.824 50 0 IHAARO COc1ccc(-c2nc(CC(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)cs2)cc1OC ZINC000032729954 556283269 /nfs/dbraw/zinc/28/32/69/556283269.db2.gz QZJUXVOKQPECBI-IBGZPJMESA-N 1 0 443.544 3.928 50 0 IHAARO CCc1ccc([C@H](CNC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)[NH+](C)C)cc1 ZINC000032734513 556305617 /nfs/dbraw/zinc/30/56/17/556305617.db2.gz FJWCXDLZTIXRDF-ZEQRLZLVSA-N 1 0 445.563 3.828 50 0 IHAARO CCc1ccc([C@@H](CNC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)[NH+](C)C)cc1 ZINC000032734047 556305630 /nfs/dbraw/zinc/30/56/30/556305630.db2.gz GJAROOXLKXSQPM-JTHBVZDNSA-N 1 0 425.548 3.659 50 0 IHAARO COc1ccc(CN(C)Cc2cccnc2)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000011662050 556343619 /nfs/dbraw/zinc/34/36/19/556343619.db2.gz PRNIKZOMNWNTLM-HSZRJFAPSA-N 1 0 427.589 3.728 50 0 IHAARO COc1ccccc1-n1cc(C[N@@H+]2CCC[C@](CO)(Cc3ccc(F)cc3F)C2)cn1 ZINC000011768798 556349597 /nfs/dbraw/zinc/34/95/97/556349597.db2.gz VKWPJFGBVKWBOT-DEOSSOPVSA-N 1 0 427.495 3.976 50 0 IHAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000014043248 556358550 /nfs/dbraw/zinc/35/85/50/556358550.db2.gz VGKNAKJTCNNCDS-FQEVSTJZSA-N 1 0 432.490 3.708 50 0 IHAARO COc1cc(NC(=O)CC[C@@H]2CCCN(C(=O)C[NH+]3CCCCCC3)C2)cc(OC)c1 ZINC000011815903 556358797 /nfs/dbraw/zinc/35/87/97/556358797.db2.gz QGQAFEWEDNRWRU-IBGZPJMESA-N 1 0 431.577 3.537 50 0 IHAARO CSc1ccc(CC(=O)NC[C@H]2CCC3(CC[NH+](Cc4ccccn4)CC3)O2)cc1 ZINC000011839663 556364320 /nfs/dbraw/zinc/36/43/20/556364320.db2.gz BZVVTLZHRWQVLS-OAQYLSRUSA-N 1 0 425.598 3.676 50 0 IHAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC000011843200 556366293 /nfs/dbraw/zinc/36/62/93/556366293.db2.gz WAUBJHILHWHJQO-UHFFFAOYSA-N 1 0 426.557 3.732 50 0 IHAARO CCOC(=O)[C@@H]1CCCC[N@@H+]1C1CCN(c2ccc(C(=O)NC3CCCC3)cc2)CC1 ZINC000011908914 556374302 /nfs/dbraw/zinc/37/43/02/556374302.db2.gz SCHRHEKRZNRAPT-QHCPKHFHSA-N 1 0 427.589 3.745 50 0 IHAARO O=C(c1ccc(N2CCC([NH2+]Cc3ccccc3C(F)(F)F)CC2)cc1)N1CCOCC1 ZINC000011910022 556374684 /nfs/dbraw/zinc/37/46/84/556374684.db2.gz HMGGECJYJHCODZ-UHFFFAOYSA-N 1 0 447.501 3.936 50 0 IHAARO COc1ccccc1C[NH+]1CCC2(CC[C@H](CNC(=O)[C@@H]3CC(=O)c4ccccc43)O2)CC1 ZINC000012002722 556385897 /nfs/dbraw/zinc/38/58/97/556385897.db2.gz SGAVVZLEKYUVKW-NFBKMPQASA-N 1 0 448.563 3.695 50 0 IHAARO C[C@H](CC[N@H+]1CCc2nnc(CNC(=O)c3c(F)cccc3F)n2CC1)c1ccccc1 ZINC000012035598 556389824 /nfs/dbraw/zinc/38/98/24/556389824.db2.gz QSJPUVCYZIWTPI-QGZVFWFLSA-N 1 0 439.510 3.538 50 0 IHAARO COc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+](C)C)ccc1O ZINC000032622870 556410248 /nfs/dbraw/zinc/41/02/48/556410248.db2.gz UWZPSEVPGBWHBL-HXUWFJFHSA-N 1 0 442.899 3.658 50 0 IHAARO Cc1cccc(C2N=NC(=S)N2CCC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000012971261 556418857 /nfs/dbraw/zinc/41/88/57/556418857.db2.gz UBHJZXOUVJQRPM-NRFANRHFSA-N 1 0 435.597 3.886 50 0 IHAARO Cc1ccc(-n2ccc(=O)c(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCCC3)n2)cc1C ZINC000028292801 556450699 /nfs/dbraw/zinc/45/06/99/556450699.db2.gz QHIFNOGAIWSOMR-QHCPKHFHSA-N 1 0 430.552 3.806 50 0 IHAARO CC[NH+](CC)[C@H](C(=O)NCc1ccc(-n2cccn2)nc1)c1cccc(C(F)(F)F)c1 ZINC000072283606 556474313 /nfs/dbraw/zinc/47/43/13/556474313.db2.gz WTSLDTUVRNRSLD-FQEVSTJZSA-N 1 0 431.462 3.985 50 0 IHAARO O=c1c2c3c(sc2ncn1CCCO)C[C@H]([NH2+]CC1(c2ccccc2)CCCC1)CC3 ZINC000014996578 556477971 /nfs/dbraw/zinc/47/79/71/556477971.db2.gz KCYZHKQGBBETIX-LJQANCHMSA-N 1 0 437.609 3.799 50 0 IHAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)cc1 ZINC000029787033 556482477 /nfs/dbraw/zinc/48/24/77/556482477.db2.gz RHIVFKADEQWQBM-HSZRJFAPSA-N 1 0 429.568 3.738 50 0 IHAARO Fc1ccc(-c2csc3ncnc(NC[C@H]([C@@H]4CCOC4)[NH+]4CCOCC4)c23)cc1 ZINC000029831633 556483399 /nfs/dbraw/zinc/48/33/99/556483399.db2.gz MKWVFBWPDXBBEY-VQIMIIECSA-N 1 0 428.533 3.647 50 0 IHAARO CCOc1ccccc1OCCCC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000072295381 556520013 /nfs/dbraw/zinc/52/00/13/556520013.db2.gz CJJMXIAOAPHDJI-NRFANRHFSA-N 1 0 425.573 3.571 50 0 IHAARO COc1ccc(-c2nc(CC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cs2)cc1OC ZINC000043746948 556520809 /nfs/dbraw/zinc/52/08/09/556520809.db2.gz CIGXKYOEWKEYLD-HKUYNNGSSA-N 1 0 429.586 3.751 50 0 IHAARO CC(C)[C@H](CNc1nc(CN2CCOCC2)nc2sc3c(c21)CC[C@H](C)C3)[NH+](C)C ZINC000032902993 556541829 /nfs/dbraw/zinc/54/18/29/556541829.db2.gz XKTAKTCJWOTUKI-WMZOPIPTSA-N 1 0 431.650 3.646 50 0 IHAARO O=C(c1ccc(SCC[NH+]2CCCCC2)nc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000033115225 556554681 /nfs/dbraw/zinc/55/46/81/556554681.db2.gz ABTHTQFGKUZMMW-UHFFFAOYSA-N 1 0 428.577 3.761 50 0 IHAARO Cc1oc2c(c1C(=O)NCC1CC[NH+](Cc3cc(C)ccc3C)CC1)C1=NCCN1C=N2 ZINC000100696550 556651051 /nfs/dbraw/zinc/65/10/51/556651051.db2.gz QDZFMUQDFQKEEM-UHFFFAOYSA-N 1 0 433.556 3.582 50 0 IHAARO Cc1nc2ccccc2n(Cc2ccc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)cc2)c1=O ZINC000033005893 556655272 /nfs/dbraw/zinc/65/52/72/556655272.db2.gz WKOPXZHZIJYQPQ-LJQANCHMSA-N 1 0 432.568 3.748 50 0 IHAARO Cc1cccc(Nc2nc(NCCN3CCOCC3)nc3c2cnn3-c2ccccc2)c1 ZINC000017135440 556669122 /nfs/dbraw/zinc/66/91/22/556669122.db2.gz VNDXAKCAOAUZAL-UHFFFAOYSA-N 1 0 429.528 3.612 50 0 IHAARO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856972 556672918 /nfs/dbraw/zinc/67/29/18/556672918.db2.gz TXPIKZWXWIXGMF-HSZRJFAPSA-N 1 0 428.598 3.878 50 0 IHAARO O=c1cc(CSc2nc3ccccc3s2)nc(N2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000054435395 556730762 /nfs/dbraw/zinc/73/07/62/556730762.db2.gz FYKAKABJLFRECR-UHFFFAOYSA-N 1 0 449.605 3.994 50 0 IHAARO Cc1cccn2cc(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC34CCCCC4)nc12 ZINC000078879410 556736006 /nfs/dbraw/zinc/73/60/06/556736006.db2.gz LZYAZVCOMYLHDO-UHFFFAOYSA-N 1 0 426.561 3.967 50 0 IHAARO CC[NH+]1CCN(c2ncnc3sc(C(=O)NCc4ccc(Cl)cc4)c(C)c32)CC1 ZINC000033048362 556744718 /nfs/dbraw/zinc/74/47/18/556744718.db2.gz IIGPJHVEEZHPJT-UHFFFAOYSA-N 1 0 429.977 3.725 50 0 IHAARO C[C@@H](C(=O)Nc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1)n1cccn1 ZINC000072015525 556747847 /nfs/dbraw/zinc/74/78/47/556747847.db2.gz GJNUKAMJWQKADY-PZJWPPBQSA-N 1 0 431.540 3.934 50 0 IHAARO CCC[NH+]1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(OC)c(OC)c2)CC1 ZINC000058157261 556762746 /nfs/dbraw/zinc/76/27/46/556762746.db2.gz BRUXLDJONNUTPW-UHFFFAOYSA-N 1 0 448.567 3.783 50 0 IHAARO Cc1nn([C@@H]2CCS(=O)(=O)C2)c2ncc(C[NH2+][C@H](C)c3ccc4c(c3)CCCC4)cc12 ZINC000058172273 556768500 /nfs/dbraw/zinc/76/85/00/556768500.db2.gz MZBGMNCHULERMF-OPAMFIHVSA-N 1 0 438.597 3.829 50 0 IHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)Cn2cccc(C(F)(F)F)c2=O)C1 ZINC000059060948 556794572 /nfs/dbraw/zinc/79/45/72/556794572.db2.gz CUIWQWITUNKHSS-IAGOWNOFSA-N 1 0 435.490 3.661 50 0 IHAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3nnc(C(=O)Nc4ccccc4)s3)CC2)cc1 ZINC000033061208 556816704 /nfs/dbraw/zinc/81/67/04/556816704.db2.gz NWOISXATAHEBKM-UHFFFAOYSA-N 1 0 449.580 3.741 50 0 IHAARO Cc1cc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000064799786 556827289 /nfs/dbraw/zinc/82/72/89/556827289.db2.gz BFKCSALDVHDAMV-UHFFFAOYSA-N 1 0 433.478 3.757 50 0 IHAARO COc1ccc(NC(=O)N2CCN(c3nc(N4CCCCC4)cc(C)[nH+]3)CC2)cc1Cl ZINC000067621134 556844857 /nfs/dbraw/zinc/84/48/57/556844857.db2.gz FVFSHWHZYIPWLI-UHFFFAOYSA-N 1 0 444.967 3.791 50 0 IHAARO C[C@H]1CCCN(C(=O)COc2ccc(-c3ccc(F)cc3)cc2CN2CC[NH+](C)CC2)C1 ZINC000019741980 556885531 /nfs/dbraw/zinc/88/55/31/556885531.db2.gz UMOVXZKHIQKWOT-FQEVSTJZSA-N 1 0 439.575 3.877 50 0 IHAARO CN(c1cccc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c1)S(C)(=O)=O ZINC000019831999 556927070 /nfs/dbraw/zinc/92/70/70/556927070.db2.gz DVJDXLQARYGDAZ-UHFFFAOYSA-N 1 0 449.576 3.893 50 0 IHAARO COc1ccc(-c2nn(-c3ccccc3F)cc2C[NH2+]CCSc2n[nH]c(C)n2)cc1 ZINC000019839148 556929042 /nfs/dbraw/zinc/92/90/42/556929042.db2.gz UVYKYFFUATUXJT-UHFFFAOYSA-N 1 0 438.532 3.995 50 0 IHAARO CC[NH+]1CCN([C@H](CNC(=O)c2ccc(Br)cc2)c2ccc(OC)cc2)CC1 ZINC000019902090 556942296 /nfs/dbraw/zinc/94/22/96/556942296.db2.gz IQYHNGVYUSNANQ-OAQYLSRUSA-N 1 0 446.389 3.566 50 0 IHAARO Cc1nc(N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc(N2CCCC2)[nH+]1 ZINC000072437787 556973092 /nfs/dbraw/zinc/97/30/92/556973092.db2.gz ZDXJBMUCYOKCQO-UHFFFAOYSA-N 1 0 441.579 3.866 50 0 IHAARO COc1ccc(CN2CC[NH+](C[C@@H](O)Cn3c4ccccc4c4ccccc43)CC2)cc1 ZINC000020066049 556978175 /nfs/dbraw/zinc/97/81/75/556978175.db2.gz WXIZYRMWFYFBOF-JOCHJYFZSA-N 1 0 429.564 3.982 50 0 IHAARO CSc1ccc([C@H](c2c(O)cc(C)n(Cc3ccccc3)c2=O)N2CC[NH+](C)CC2)cc1 ZINC000023086429 556997323 /nfs/dbraw/zinc/99/73/23/556997323.db2.gz QJVQNXJBPUUKAH-RUZDIDTESA-N 1 0 449.620 3.969 50 0 IHAARO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccco3)CC2)C1 ZINC000077370121 556999253 /nfs/dbraw/zinc/99/92/53/556999253.db2.gz SMUOUZVGEZLTNR-HXUWFJFHSA-N 1 0 433.556 3.780 50 0 IHAARO Cc1ccc(F)cc1C[NH2+][C@H]1CCc2c(sc3ncn(Cc4ccccn4)c(=O)c23)C1 ZINC000020234609 557002012 /nfs/dbraw/zinc/00/20/12/557002012.db2.gz WFDDGUOALINMQE-SFHVURJKSA-N 1 0 434.540 3.996 50 0 IHAARO CN(CCc1cnn(C)c1)C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000023337376 557084846 /nfs/dbraw/zinc/08/48/46/557084846.db2.gz ILOWCPNDTAHMOF-UHFFFAOYSA-N 1 0 446.595 3.821 50 0 IHAARO CN1CCC([NH+]2CCC(CN(Cc3ccncc3)C(=O)/C=C/c3cccs3)CC2)CC1 ZINC000023340282 557085967 /nfs/dbraw/zinc/08/59/67/557085967.db2.gz SZYSPHXJQSDWKP-SNAWJCMRSA-N 1 0 438.641 3.991 50 0 IHAARO CC[N@@H+]1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3cccc(C)c3C)c(=O)c2C1 ZINC000049400685 557096184 /nfs/dbraw/zinc/09/61/84/557096184.db2.gz NCHKCMGRAKRNDC-UHFFFAOYSA-N 1 0 434.515 3.683 50 0 IHAARO Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000025330560 557204582 /nfs/dbraw/zinc/20/45/82/557204582.db2.gz NWCLYPKKZDVATL-QFIPXVFZSA-N 1 0 432.549 3.788 50 0 IHAARO Cc1nn(Cn2ccc(C(=O)N[C@@H](CC[NH+](C)C)c3ccc(Cl)cc3)n2)c(C)c1Cl ZINC000072244089 557213411 /nfs/dbraw/zinc/21/34/11/557213411.db2.gz LKLHTUFDILKZPW-SFHVURJKSA-N 1 0 449.386 3.932 50 0 IHAARO COc1cccc([C@@H](CNC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)[NH+](C)C)c1 ZINC000018017004 557214031 /nfs/dbraw/zinc/21/40/31/557214031.db2.gz IEUAHDBQOIUNRB-XMMPIXPASA-N 1 0 447.535 3.636 50 0 IHAARO CCOC(=O)C1CC[NH+](Cc2cn3c(nnc3-c3ccc(Br)cc3)s2)CC1 ZINC000002498417 557243550 /nfs/dbraw/zinc/24/35/50/557243550.db2.gz IBRDPORWNHKBFC-UHFFFAOYSA-N 1 0 449.374 3.995 50 0 IHAARO CC1CC[NH+]([C@@H](CNC(=O)CCCc2nc3ccccc3c(=O)[nH]2)c2cccs2)CC1 ZINC000027573273 557266185 /nfs/dbraw/zinc/26/61/85/557266185.db2.gz FNZPWQWMGZTIEF-FQEVSTJZSA-N 1 0 438.597 3.897 50 0 IHAARO C[C@H]([NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)c1ccc(-c2ccccc2)cc1 ZINC000014183663 557314184 /nfs/dbraw/zinc/31/41/84/557314184.db2.gz PXIKLHWGRJHBGD-CYFREDJKSA-N 1 0 440.609 3.963 50 0 IHAARO CC[NH+]1CCN([C@@H](c2ccc(F)cc2)c2c(O)cc(C)n(Cc3ccccc3)c2=O)CC1 ZINC000023478423 557363576 /nfs/dbraw/zinc/36/35/76/557363576.db2.gz XMGUXSJULBIRLU-VWLOTQADSA-N 1 0 435.543 3.777 50 0 IHAARO CC[NH+](CC)CCCn1c2c(c(SCC(=O)Nc3ccccc3C)nc1=O)CCC2 ZINC000004851844 557397004 /nfs/dbraw/zinc/39/70/04/557397004.db2.gz AOCCLFNCKCBABP-UHFFFAOYSA-N 1 0 428.602 3.503 50 0 IHAARO C[C@](O)(CN1Cc2ccccc2C1=O)c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000225508301 557731915 /nfs/dbraw/zinc/73/19/15/557731915.db2.gz MZWFLMNXPMEZHA-VWLOTQADSA-N 1 0 432.524 3.586 50 0 IHAARO O=C(c1ccc(F)cc1Cl)N1CCN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000225676064 557761140 /nfs/dbraw/zinc/76/11/40/557761140.db2.gz UNSVWGFVOXYZJV-NRFANRHFSA-N 1 0 445.966 3.528 50 0 IHAARO Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)o1 ZINC000003058584 562932377 /nfs/dbraw/zinc/93/23/77/562932377.db2.gz BNOCWMHWDXDGHM-UHFFFAOYSA-N 1 0 440.565 3.814 50 0 IHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000009596696 562973808 /nfs/dbraw/zinc/97/38/08/562973808.db2.gz NMHLIZASBYGQSS-OAQYLSRUSA-N 1 0 439.537 3.647 50 0 IHAARO Cc1cc(C(=O)NC[C@H]2CCC3(CC[NH+](Cc4ccc5ccccc5c4)CC3)O2)n(C)n1 ZINC000011910225 562979758 /nfs/dbraw/zinc/97/97/58/562979758.db2.gz WRFPLNSPRPNEPB-HSZRJFAPSA-N 1 0 432.568 3.825 50 0 IHAARO COC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CC[N@@H+]3CCC[C@H]3C1)c1ccccc1CC2 ZINC000022044972 563025437 /nfs/dbraw/zinc/02/54/37/563025437.db2.gz PAUBRSDGFKFUPI-QFIPXVFZSA-N 1 0 448.567 3.798 50 0 IHAARO CC(C)COC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984474 568623049 /nfs/dbraw/zinc/62/30/49/568623049.db2.gz VXZNFRHZEDOISL-XZOQPEGZSA-N 1 0 432.511 3.994 50 0 IHAARO CC(C)COC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984732 568623565 /nfs/dbraw/zinc/62/35/65/568623565.db2.gz JQEZIMAUEPLQFF-DHIUTWEWSA-N 1 0 432.511 3.994 50 0 IHAARO Cc1csc2nc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCCN3C(=O)OC(C)(C)C)cc(=O)n12 ZINC000106172011 568625168 /nfs/dbraw/zinc/62/51/68/568625168.db2.gz FTFLKOBZRCPQIJ-QZTJIDSGSA-N 1 0 432.590 3.818 50 0 IHAARO C[NH+](C)[C@@H]1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3SC4)c2C2CC2)C1 ZINC000299758555 568755414 /nfs/dbraw/zinc/75/54/14/568755414.db2.gz MTNZWQJYYRWGII-QGZVFWFLSA-N 1 0 446.580 3.589 50 0 IHAARO O=C([C@@H]1CC12CC[NH+](Cc1ccc(O)cc1)CC2)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000299761864 568756004 /nfs/dbraw/zinc/75/60/04/568756004.db2.gz YTLPCQCGZUWKFC-KCROQMHPSA-N 1 0 445.607 3.852 50 0 IHAARO COc1cc(=O)n2c(c1C(=O)NCCC(C)C)CC[N@@H+](Cc1ccc(C(C)C)cc1)CC2 ZINC000299764526 568756193 /nfs/dbraw/zinc/75/61/93/568756193.db2.gz IQORJFWIDQPHST-UHFFFAOYSA-N 1 0 439.600 3.815 50 0 IHAARO COc1cccc(C[NH2+]Cc2cc3ccc(F)cc3n(Cc3ccccn3)c2=O)c1OC ZINC000299774089 568756844 /nfs/dbraw/zinc/75/68/44/568756844.db2.gz GGNBWGOSELWQRS-UHFFFAOYSA-N 1 0 433.483 3.891 50 0 IHAARO Cc1cnc(-n2ncc(C(=O)NCC(C)(C)C[NH+](C)C)c2C2CC2)nc1-c1cccs1 ZINC000299794934 568757892 /nfs/dbraw/zinc/75/78/92/568757892.db2.gz JHDIQSCCQHAIFB-UHFFFAOYSA-N 1 0 438.601 3.894 50 0 IHAARO O=C(NCc1cccnc1)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000016621950 568786402 /nfs/dbraw/zinc/78/64/02/568786402.db2.gz TUOUIFGQGPDKPS-UHFFFAOYSA-N 1 0 428.536 3.862 50 0 IHAARO CCOC(=O)c1csc(N2[NH2+]C(C=Cc3ccccc3O)=C[C@]2(O)C(F)(F)F)n1 ZINC000001419325 568791243 /nfs/dbraw/zinc/79/12/43/568791243.db2.gz KUBZHPLMZCIBGK-OZSKJFCKSA-N 1 0 427.404 3.556 50 0 IHAARO CCCOc1ccc(CN(CCC[NH+](C)C)C(=O)c2cccc3c2OCCO3)cc1OC ZINC000084758599 568801060 /nfs/dbraw/zinc/80/10/60/568801060.db2.gz NIMRVMHVLDCRLP-UHFFFAOYSA-N 1 0 442.556 3.849 50 0 IHAARO CC[NH+](CC)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1cccc(OC)c1OC ZINC000004292054 568808144 /nfs/dbraw/zinc/80/81/44/568808144.db2.gz XOEDFNHWLWTHFV-OAQYLSRUSA-N 1 0 425.529 3.732 50 0 IHAARO O=C1CCSc2ccc(S(=O)(=O)Nc3ccc(C[NH+]4CCCCC4)cc3)cc2N1 ZINC000015728465 568813135 /nfs/dbraw/zinc/81/31/35/568813135.db2.gz PKUSVFUXAQXQJF-UHFFFAOYSA-N 1 0 431.583 3.908 50 0 IHAARO Cc1nn(-c2ccc(Cl)cc2)cc1-c1noc(C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)n1 ZINC000015729773 568813595 /nfs/dbraw/zinc/81/35/95/568813595.db2.gz LTRSLHYPMJKTMG-OAHLLOKOSA-N 1 0 442.951 3.736 50 0 IHAARO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000229532776 568886779 /nfs/dbraw/zinc/88/67/79/568886779.db2.gz MEMQQBUOSZAGAU-YADARESESA-N 1 0 442.003 3.883 50 0 IHAARO CN(C)CC[NH2+]C[C@@H](O)CN1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@H]1CCC3 ZINC000239309249 568911062 /nfs/dbraw/zinc/91/10/62/568911062.db2.gz HJMXAOVPXYXKMS-ATIYNZHBSA-N 1 0 438.660 3.894 50 0 IHAARO COc1ccc2[nH]cc(CC[NH2+]C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@H]34)c2c1 ZINC000001820055 568915662 /nfs/dbraw/zinc/91/56/62/568915662.db2.gz BJRTZLZJYHGJHK-RCOXWCODSA-N 1 0 438.568 3.594 50 0 biogenic IHAARO CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000248322060 568919122 /nfs/dbraw/zinc/91/91/22/568919122.db2.gz VRIXGLVMCQIVHP-QAQDUYKDSA-N 1 0 426.542 3.566 50 0 IHAARO CCc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)nc2cc(-c3ccccn3)nn21 ZINC000064760185 568952273 /nfs/dbraw/zinc/95/22/73/568952273.db2.gz IVPMCYKZWUAGCE-UHFFFAOYSA-N 1 0 440.551 3.748 50 0 IHAARO O=C(c1ccc2[nH]c3c(c2c1)CN(C(=O)C1CCC1)CC3)N1CC[NH+](C2CCCC2)CC1 ZINC000097078063 568978811 /nfs/dbraw/zinc/97/88/11/568978811.db2.gz QWTAAUNUEDMOEV-UHFFFAOYSA-N 1 0 434.584 3.553 50 0 IHAARO O[C@@H](COCc1ccco1)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000169679110 568990359 /nfs/dbraw/zinc/99/03/59/568990359.db2.gz ATMVDXRQDKRHPM-VWNXMTODSA-N 1 0 438.499 3.992 50 0 IHAARO COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](CC(C)C)C[C@@H](C)O ZINC000036308977 568995611 /nfs/dbraw/zinc/99/56/11/568995611.db2.gz BDYWWGJTTAKZBT-QUCCMNQESA-N 1 0 446.613 3.600 50 0 IHAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cnn(-c2ccccc2)c1-n1cccc1 ZINC000006807052 568996435 /nfs/dbraw/zinc/99/64/35/568996435.db2.gz TXZSORLWHVCAQC-UHFFFAOYSA-N 1 0 425.536 3.841 50 0 IHAARO CC(C)(O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)CC1CC1 ZINC000036310319 568996625 /nfs/dbraw/zinc/99/66/25/568996625.db2.gz GGPICERIAQICKB-NRFANRHFSA-N 1 0 446.588 3.875 50 0 IHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3cccc(OC)c3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000036341132 569079181 /nfs/dbraw/zinc/07/91/81/569079181.db2.gz HKSHXWDTKJBCAO-QHCPKHFHSA-N 1 0 440.975 3.664 50 0 IHAARO CCOc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)CN2CC[NH+](CC)CC2)cc1 ZINC000036344083 569080069 /nfs/dbraw/zinc/08/00/69/569080069.db2.gz FWDUJQLWPRKPLF-RUZDIDTESA-N 1 0 434.584 3.709 50 0 IHAARO CCOc1ccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)CN2CC[NH+](CC)CC2)cc1 ZINC000036344100 569080102 /nfs/dbraw/zinc/08/01/02/569080102.db2.gz UJPNQLJRTOLHHK-VWLOTQADSA-N 1 0 434.584 3.709 50 0 IHAARO CC[N@H+](CCNC(=O)C1CCN(c2ncc(-c3ccccc3)cn2)CC1)Cc1ccccc1 ZINC000065023910 569089478 /nfs/dbraw/zinc/08/94/78/569089478.db2.gz LXTVVTSHDHRVEP-UHFFFAOYSA-N 1 0 443.595 3.998 50 0 IHAARO O=C(CCc1c(-c2ccc(Br)cc2)nc2ccccn21)NCC[NH+]1CCCC1 ZINC000065061226 569096372 /nfs/dbraw/zinc/09/63/72/569096372.db2.gz NBKGNIILGNOHGK-UHFFFAOYSA-N 1 0 441.373 3.908 50 0 IHAARO CC(C)c1nc2c(c(=O)n1CC(=O)Nc1ccc(F)cc1)C[N@H+](Cc1ccccc1)CC2 ZINC000065153609 569112100 /nfs/dbraw/zinc/11/21/00/569112100.db2.gz QYKQOHIXXQGJOA-UHFFFAOYSA-N 1 0 434.515 3.703 50 0 IHAARO COc1cccc(C[NH2+][C@H]2CCN(c3ccc(C(=O)Nc4ccccc4)cn3)C2)c1OC ZINC000065257032 569123364 /nfs/dbraw/zinc/12/33/64/569123364.db2.gz RHDUBIHVVGDQAC-NRFANRHFSA-N 1 0 432.524 3.720 50 0 IHAARO C[NH+]1CCC(NC(=O)C2CCN(c3nc4ccc(-c5ccsc5)nc4s3)CC2)CC1 ZINC000065272174 569128929 /nfs/dbraw/zinc/12/89/29/569128929.db2.gz QYXUBLIGAKNLAP-UHFFFAOYSA-N 1 0 441.626 3.847 50 0 IHAARO O=C(c1cc2c(s1)CC[C@@H](C(=O)N1CC[NH+](C3CCCCC3)CC1)C2)N1CCCC1 ZINC000065272897 569129274 /nfs/dbraw/zinc/12/92/74/569129274.db2.gz HDFXUTNJKXAGFP-GOSISDBHSA-N 1 0 429.630 3.566 50 0 IHAARO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000037207213 569140892 /nfs/dbraw/zinc/14/08/92/569140892.db2.gz UEKVKIUUCNQONB-ROUUACIJSA-N 1 0 426.538 3.702 50 0 IHAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@](F)(COC(=O)CCCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000170609301 569144814 /nfs/dbraw/zinc/14/48/14/569144814.db2.gz RZTMMRGXPSQGAB-IQGLISFBSA-N 1 0 437.515 3.964 50 0 IHAARO [NH2+]=C1NC(SCC(=O)Nc2ccc(F)c(Cl)c2)=N[C@H](c2c[nH]c3ccccc32)N1 ZINC000013579095 569156117 /nfs/dbraw/zinc/15/61/17/569156117.db2.gz XXXLTLJMLYPTMJ-QGZVFWFLSA-N 1 0 430.896 3.605 50 0 IHAARO O=C(NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1[nH]nc2ccccc21 ZINC000089866694 569166334 /nfs/dbraw/zinc/16/63/34/569166334.db2.gz FMIMXALAIBPPTQ-UHFFFAOYSA-N 1 0 431.462 3.524 50 0 IHAARO CCOC(=O)c1c(NC(=O)CC[NH2+][C@@H](C(N)=O)[C@@H](C)CC)sc(C)c1-c1ccccc1 ZINC000089942173 569168389 /nfs/dbraw/zinc/16/83/89/569168389.db2.gz SXQNIIMZCNPLJO-VBKZILBWSA-N 1 0 445.585 3.718 50 0 IHAARO CCOC(=O)c1c(NC(=O)CC[NH2+][C@H](C(N)=O)[C@@H](C)CC)sc(C)c1-c1ccccc1 ZINC000089942171 569168405 /nfs/dbraw/zinc/16/84/05/569168405.db2.gz SXQNIIMZCNPLJO-XOBRGWDASA-N 1 0 445.585 3.718 50 0 IHAARO COc1ccccc1-c1nc(NCC[NH+]2CCCC2)nc2nn(Cc3ccccc3)c(N)c21 ZINC000037358185 569176045 /nfs/dbraw/zinc/17/60/45/569176045.db2.gz VJTIIIIIHNYBPS-UHFFFAOYSA-N 1 0 443.555 3.640 50 0 IHAARO CC(C)[NH+]1CCN(c2nc3nn(Cc4ccccc4)c(N)c3c(-c3cccc(F)c3)n2)CC1 ZINC000037359709 569181439 /nfs/dbraw/zinc/18/14/39/569181439.db2.gz CSOLRPZXDMDRLO-UHFFFAOYSA-N 1 0 445.546 3.793 50 0 IHAARO CC(C)CC(=O)N(CC[NH+](C)C)Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1 ZINC000037400201 569194805 /nfs/dbraw/zinc/19/48/05/569194805.db2.gz JLOTVSRNPVLMAM-UHFFFAOYSA-N 1 0 436.549 3.530 50 0 IHAARO O=C(C1CCCCC1)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000581820131 569211738 /nfs/dbraw/zinc/21/17/38/569211738.db2.gz UBLGEVSSSMZUHH-DEOSSOPVSA-N 1 0 425.617 3.929 50 0 IHAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1 ZINC000253411707 569265879 /nfs/dbraw/zinc/26/58/79/569265879.db2.gz OZIDPFBAAWKVES-GBXCKJPGSA-N 1 0 430.552 3.722 50 0 biogenic IHAARO Cc1c(O)ccc2c(C)c(CCC(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c(=O)oc12 ZINC000253412642 569265892 /nfs/dbraw/zinc/26/58/92/569265892.db2.gz RPJDHOMFOULMDT-GHTZIAJQSA-N 1 0 426.557 3.771 50 0 biogenic IHAARO CC(C)(C)OC(=O)N1CC[NH+](C2CCC(NC(=O)Cc3cccc(Cl)c3)CC2)CC1 ZINC000253428687 569267651 /nfs/dbraw/zinc/26/76/51/569267651.db2.gz NJWDZIRZKMZYGP-UHFFFAOYSA-N 1 0 435.996 3.863 50 0 IHAARO COc1ccc(NC(=O)[C@@H]2C[C@@H](CCSC)[NH2+][C@]23C(=O)Nc2ccc(C)cc23)cc1 ZINC000253487104 569283002 /nfs/dbraw/zinc/28/30/02/569283002.db2.gz FAPYWKDYRHITMC-ICPLQIHGSA-N 1 0 425.554 3.521 50 0 IHAARO C[NH+](C)CCn1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)n1 ZINC000078718493 569318570 /nfs/dbraw/zinc/31/85/70/569318570.db2.gz RLMVIYXAFGEMTG-FQEVSTJZSA-N 1 0 439.947 3.598 50 0 IHAARO COc1ccc(C[NH+]2CCC(NC(=O)c3ccc(Nc4ncccn4)cc3)CC2)cc1OC ZINC000079479291 569330807 /nfs/dbraw/zinc/33/08/07/569330807.db2.gz VPKVKFBOQHQYNX-UHFFFAOYSA-N 1 0 447.539 3.632 50 0 IHAARO COc1ccc(CN2C(=O)c3ccccc3[C@@H]2C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000020152533 569353396 /nfs/dbraw/zinc/35/33/96/569353396.db2.gz IOCWLLOYZJKDJP-UMEGOILYSA-N 1 0 449.595 3.877 50 0 IHAARO CC[NH+]1CCN(Cc2ccc(NC(=O)Cn3ncc4c3-c3cc(C)ccc3OC4)cc2)CC1 ZINC000020380135 569362534 /nfs/dbraw/zinc/36/25/34/569362534.db2.gz KDLSSALUJRIILH-UHFFFAOYSA-N 1 0 445.567 3.527 50 0 IHAARO Cc1cc(OCC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc(C)[nH+]1 ZINC000095964606 569377258 /nfs/dbraw/zinc/37/72/58/569377258.db2.gz DIQZNQAJTZCEHB-UHFFFAOYSA-N 1 0 425.510 3.541 50 0 IHAARO COc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000002890315 569424435 /nfs/dbraw/zinc/42/44/35/569424435.db2.gz NILOJHSBQXTWOW-HXUWFJFHSA-N 1 0 426.900 3.952 50 0 IHAARO C[C@@H]1C[NH+](CCCNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)C[C@@H](C)O1 ZINC000029981455 569439962 /nfs/dbraw/zinc/43/99/62/569439962.db2.gz WGAWOMNNSSMRSY-NHCUHLMSSA-N 1 0 432.568 3.828 50 0 IHAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 ZINC000031275956 569455513 /nfs/dbraw/zinc/45/55/13/569455513.db2.gz POUTWMFWFIGIDF-QFIPXVFZSA-N 1 0 431.536 3.673 50 0 IHAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)C1 ZINC000032269849 569461053 /nfs/dbraw/zinc/46/10/53/569461053.db2.gz PTGPDEBFANDCEU-INIZCTEOSA-N 1 0 444.885 3.631 50 0 IHAARO O=C(Cc1csc(NC(=O)c2ccsc2)n1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000038575663 569464096 /nfs/dbraw/zinc/46/40/96/569464096.db2.gz YFZVNGZWXWATQT-UHFFFAOYSA-N 1 0 440.594 3.780 50 0 IHAARO CC(C)(C)[C@H]([C@H](Oc1ccc(Cl)cc1)n1cncn1)n1nnnc1C1([NH3+])CCCCC1 ZINC000008856706 569479786 /nfs/dbraw/zinc/47/97/86/569479786.db2.gz SQPWJJVBRGREJT-ROUUACIJSA-N 1 0 444.971 3.901 50 0 IHAARO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H](C(C)C)[NH2+][C@]23C(=O)Nc2ccc(C)cc23)cc1 ZINC000008876785 569481131 /nfs/dbraw/zinc/48/11/31/569481131.db2.gz NDMVMKJLUDOUKP-ZJCBTPCYSA-N 1 0 435.524 3.592 50 0 biogenic IHAARO COC(=O)c1ccc(N2CCCC2)c(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000040104487 569488156 /nfs/dbraw/zinc/48/81/56/569488156.db2.gz PQLVAFNJRWLJTL-FQEVSTJZSA-N 1 0 426.517 3.625 50 0 IHAARO Cc1occc1C(=O)Nc1nc(CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000040132669 569490402 /nfs/dbraw/zinc/49/04/02/569490402.db2.gz YOLYHEZLYJWMCW-UHFFFAOYSA-N 1 0 438.553 3.620 50 0 IHAARO CC[NH+](CC)CCCNC(=O)CN1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12 ZINC000009289188 569519543 /nfs/dbraw/zinc/51/95/43/569519543.db2.gz PIMWFPVRDXQRQB-VWLOTQADSA-N 1 0 432.568 3.572 50 0 IHAARO Cc1c(C(=O)Nc2ccccc2F)nnn1-c1cccc2c1CC[N@H+](Cc1ccncc1)C2 ZINC000069951208 569525380 /nfs/dbraw/zinc/52/53/80/569525380.db2.gz ZQZULSMAAMUGRI-UHFFFAOYSA-N 1 0 442.498 3.920 50 0 IHAARO C[C@@H](Sc1nncn1C)C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000070005924 569527842 /nfs/dbraw/zinc/52/78/42/569527842.db2.gz BNADWCOCUVQJGL-CQSZACIVSA-N 1 0 442.416 3.727 50 0 IHAARO COc1cc(NC(=O)c2cc3cc4c5c(c3oc2=[NH2+])CCCN5CCC4)cc(OC)c1OC ZINC000009524439 569544528 /nfs/dbraw/zinc/54/45/28/569544528.db2.gz RPENRDZJMWUVEW-UHFFFAOYSA-N 1 0 449.507 3.889 50 0 IHAARO CCOC(=O)c1sc2ncnc(N3CCC[N@H+](Cc4ccc(OC)cc4)CC3)c2c1C ZINC000009640504 569555410 /nfs/dbraw/zinc/55/54/10/569555410.db2.gz PRMXEHNSEAEAEM-UHFFFAOYSA-N 1 0 440.569 3.897 50 0 IHAARO O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000009743199 569565454 /nfs/dbraw/zinc/56/54/54/569565454.db2.gz SBLKIHNQMQZSSI-IBGZPJMESA-N 1 0 448.548 3.671 50 0 IHAARO Cc1nnc(-c2cn(CC(=O)NCCC[N@@H+]3CCc4ccccc4C3)c3ccccc23)o1 ZINC000035423199 569587729 /nfs/dbraw/zinc/58/77/29/569587729.db2.gz RPLFVFIXRALILD-UHFFFAOYSA-N 1 0 429.524 3.564 50 0 IHAARO CCCOc1cccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CC[NH+](CC)CC2)c1 ZINC000009908016 132331655 /nfs/dbraw/zinc/33/16/55/132331655.db2.gz LFASOJXABCRHRI-UHFFFAOYSA-N 1 0 425.529 3.656 50 0 IHAARO O=C(Cc1ccc(N2CCC([NH2+]CCc3ccncc3)CC2)cc1)NCc1ccccc1 ZINC000011786807 132339718 /nfs/dbraw/zinc/33/97/18/132339718.db2.gz RYKJARMYVRYNSX-UHFFFAOYSA-N 1 0 428.580 3.742 50 0 IHAARO CSc1ccc2cc(C[NH2+]Cc3cccs3)c(N3CCN(C(C)=O)CC3)nc2c1 ZINC000011813612 132340382 /nfs/dbraw/zinc/34/03/82/132340382.db2.gz FHZKBXWZCAOYRM-UHFFFAOYSA-N 1 0 426.611 3.977 50 0 IHAARO O=C(c1ccc(N2CCC([NH2+]Cc3cccc(Cl)c3)CC2)cc1)N1CCC[C@@H](CO)C1 ZINC000011838410 132340520 /nfs/dbraw/zinc/34/05/20/132340520.db2.gz DVKCTFGHGSYEDH-HXUWFJFHSA-N 1 0 442.003 3.943 50 0 IHAARO CC(C)CCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](C1CCSCC1)CC2 ZINC000014743642 519652893 /nfs/dbraw/zinc/65/28/93/519652893.db2.gz NRKIHBMNGAPZRW-UHFFFAOYSA-N 1 0 430.618 3.622 50 0 IHAARO CCOC(=O)C1C(C[N@@H+]2CC[C@@H](c3ccc(C)cc3)C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000020530949 520517302 /nfs/dbraw/zinc/51/73/02/520517302.db2.gz JQWZHDIXPODQQK-HYBUGGRVSA-N 1 0 449.551 3.664 50 0 IHAARO CC[NH+](CC)CCN(C)C(=O)c1cc(-c2cc3ccccc3s2)cc(-n2cnnn2)c1 ZINC000014962210 520639908 /nfs/dbraw/zinc/63/99/08/520639908.db2.gz LHDFYMKOYHRYSB-UHFFFAOYSA-N 1 0 434.569 3.958 50 0 IHAARO COc1cc(-c2onc(C)c2C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc(OC)c1OC ZINC000022656223 521919602 /nfs/dbraw/zinc/91/96/02/521919602.db2.gz FGFYOTVOAZZPAU-OAHLLOKOSA-N 1 0 431.533 3.670 50 0 IHAARO C[NH+](C)[C@H](CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1cccs1 ZINC000021763068 522082078 /nfs/dbraw/zinc/08/20/78/522082078.db2.gz OGGCXTKUYVFCDK-LJQANCHMSA-N 1 0 447.557 3.721 50 0 IHAARO COC(=O)c1ccccc1NC(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccc(OC)cc2)C1 ZINC000012298006 522277217 /nfs/dbraw/zinc/27/72/17/522277217.db2.gz VBCZCZGXELLFNP-HXUWFJFHSA-N 1 0 439.556 3.900 50 0 IHAARO CN(CCc1ccccn1)C(=O)CC[C@H]1CCC[N@H+](Cc2cccn2-c2cccnc2)C1 ZINC000012320666 522960403 /nfs/dbraw/zinc/96/04/03/522960403.db2.gz UXKCPFWRSLIUIR-JOCHJYFZSA-N 1 0 431.584 3.961 50 0 IHAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1c(N2CCCC2=O)c2cc(OC)ccc2n1C ZINC000021529884 523020437 /nfs/dbraw/zinc/02/04/37/523020437.db2.gz PMSMDUGBZFNEBA-SFHVURJKSA-N 1 0 440.588 3.698 50 0 IHAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1c(N2CCCC2=O)c2cc(OC)ccc2n1C ZINC000021529882 523170039 /nfs/dbraw/zinc/17/00/39/523170039.db2.gz PMSMDUGBZFNEBA-GOSISDBHSA-N 1 0 440.588 3.698 50 0 IHAARO COc1ccc(-c2nc(C(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)cs2)cc1OC ZINC000022609315 523191746 /nfs/dbraw/zinc/19/17/46/523191746.db2.gz QOXFOINKSAHFBQ-SFHVURJKSA-N 1 0 429.517 3.999 50 0 IHAARO COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](CCc1ccccc1)CC2 ZINC000014731617 523290756 /nfs/dbraw/zinc/29/07/56/523290756.db2.gz GHFLTYGHAPYIFU-UHFFFAOYSA-N 1 0 435.568 3.565 50 0 IHAARO CN(Cc1ccccc1)C1(C[NH2+]Cc2cnc(N3CCOCC3)s2)Cc2ccccc2C1 ZINC000020914478 523344331 /nfs/dbraw/zinc/34/43/31/523344331.db2.gz QSOILJYIPXVEOO-UHFFFAOYSA-N 1 0 448.636 3.739 50 0 IHAARO COc1ccc(/C=C2/Sc3ccc(C(=O)NCCC[NH+]4CCCC4)cc3NC2=O)cc1 ZINC000020734163 523416042 /nfs/dbraw/zinc/41/60/42/523416042.db2.gz RPSRAJCGUGITJU-PXLXIMEGSA-N 1 0 437.565 3.996 50 0 IHAARO CC[C@]1(C2CC[NH+](Cc3ccc(C)cc3)CC2)NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000012135826 523606296 /nfs/dbraw/zinc/60/62/96/523606296.db2.gz CYGLICORLOKYFZ-AREMUKBSSA-N 1 0 449.551 3.837 50 0 IHAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3ccc(O)c(OC)c3)CC2)c1 ZINC000012587882 523629538 /nfs/dbraw/zinc/62/95/38/523629538.db2.gz PJYZWWPKYFIJJK-UHFFFAOYSA-N 1 0 440.540 3.689 50 0 IHAARO COCCN(Cc1nc2ccccc2n1C)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011936287 523775641 /nfs/dbraw/zinc/77/56/41/523775641.db2.gz UGYNNHVLDNMQLM-NRFANRHFSA-N 1 0 432.612 3.901 50 0 IHAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1F)C(c1ccc(F)cc1)=N2 ZINC000035372772 523787365 /nfs/dbraw/zinc/78/73/65/523787365.db2.gz AWOSMVUFAIJYSQ-UHFFFAOYSA-N 1 0 428.508 3.960 50 0 IHAARO C[N@@H+]1CCC[C@H](C(=O)N2CCC(CCC(=O)N3CCC(Cc4ccccc4)CC3)CC2)C1 ZINC000012458414 523835882 /nfs/dbraw/zinc/83/58/82/523835882.db2.gz REMQVZFBKCFXLT-VWLOTQADSA-N 1 0 439.644 3.828 50 0 IHAARO CCc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)cc1 ZINC000020599650 523929167 /nfs/dbraw/zinc/92/91/67/523929167.db2.gz KUVSASPVOWNYHP-HXUWFJFHSA-N 1 0 431.584 3.709 50 0 IHAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3ccc(O)c(OC)c3)C2)c(OC)c1 ZINC000012193452 524047935 /nfs/dbraw/zinc/04/79/35/524047935.db2.gz ZSIJFRUOOYVOJC-GOSISDBHSA-N 1 0 442.556 3.727 50 0 IHAARO COc1ccc(C[NH2+][C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3cccc(Cl)c3)C2)c(OC)c1 ZINC000020996909 524087015 /nfs/dbraw/zinc/08/70/15/524087015.db2.gz FDHZYZKOJGBGBI-IRLDBZIGSA-N 1 0 445.991 3.615 50 0 IHAARO COc1ccccc1-c1nn(CN2CCC[N@H+](C)CC2)c(=S)n1CCc1ccccc1 ZINC000022038940 524284754 /nfs/dbraw/zinc/28/47/54/524284754.db2.gz LQQLDSIRRMLBST-UHFFFAOYSA-N 1 0 437.613 3.927 50 0 IHAARO Cc1cc(C)n(-c2ccc(F)cc2CN2CC[N@H+](Cc3cccs3)[C@@H](CCO)C2)n1 ZINC000020452638 524488803 /nfs/dbraw/zinc/48/88/03/524488803.db2.gz DWHPJMOLRZVQES-NRFANRHFSA-N 1 0 428.577 3.759 50 0 IHAARO Cc1cc(C)n(CC(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)n1 ZINC000012836869 524503001 /nfs/dbraw/zinc/50/30/01/524503001.db2.gz VMABTBNMNUIBDV-QHCPKHFHSA-N 1 0 442.579 3.559 50 0 IHAARO COc1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(C)cc2)cc1 ZINC000035372880 524503323 /nfs/dbraw/zinc/50/33/23/524503323.db2.gz ZMMGEDYQQRLNLI-UHFFFAOYSA-N 1 0 436.581 3.999 50 0 IHAARO C[C@@H](CNC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)Oc1cccnc1 ZINC000012318308 524719427 /nfs/dbraw/zinc/71/94/27/524719427.db2.gz GAEOEPXFVHFRSB-FQEVSTJZSA-N 1 0 446.551 3.717 50 0 IHAARO COc1ncccc1C(=O)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012586091 525035623 /nfs/dbraw/zinc/03/56/23/525035623.db2.gz JKQACDHXTKLWKI-XMMPIXPASA-N 1 0 449.595 3.591 50 0 IHAARO C[C@]1(C(=O)NC2CCCCCC2)Cn2c(cc3ccccc32)C(=O)N1CC[NH+]1CCCC1 ZINC000021858112 525200239 /nfs/dbraw/zinc/20/02/39/525200239.db2.gz WPNWPTDGNFDTFC-AREMUKBSSA-N 1 0 436.600 3.791 50 0 IHAARO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000012684066 525243374 /nfs/dbraw/zinc/24/33/74/525243374.db2.gz KJFKYJWMAAIVEH-NRFANRHFSA-N 1 0 441.597 3.658 50 0 IHAARO COc1ccc([C@H](CNC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)[NH+]2CCCC2)cc1 ZINC000012772231 525358496 /nfs/dbraw/zinc/35/84/96/525358496.db2.gz OBCPUYGNFPXYQZ-QFIPXVFZSA-N 1 0 433.556 3.730 50 0 IHAARO COc1ccc2c(c1)C=C(C[NH+]1CCC(n3nccc3NC(=O)c3cccnc3)CC1)CO2 ZINC000011874069 525510505 /nfs/dbraw/zinc/51/05/05/525510505.db2.gz ZQYYHALFDCTSBY-UHFFFAOYSA-N 1 0 445.523 3.652 50 0 IHAARO Cc1ccc2nc(CN3CCC[N@H+](Cc4ccc(C(F)(F)F)cc4)CC3)cc(=O)n2c1 ZINC000022830489 526247125 /nfs/dbraw/zinc/24/71/25/526247125.db2.gz YNERNRBOJKZQFJ-UHFFFAOYSA-N 1 0 430.474 3.730 50 0 IHAARO O=C(CC[C@]1(Cc2ccsc2)CCC(=O)N1)NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000012159929 526576448 /nfs/dbraw/zinc/57/64/48/526576448.db2.gz XRBQKRAVTGVJJZ-ZJSXRUAMSA-N 1 0 443.588 3.812 50 0 IHAARO O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCCC3)N1CC[NH+](C2CCCCC2)CC1 ZINC000021882522 526655601 /nfs/dbraw/zinc/65/56/01/526655601.db2.gz AJUWKLFIELPQTP-UHFFFAOYSA-N 1 0 442.629 3.663 50 0 IHAARO O=C(CN1CCN(C/C=C/c2ccccc2)CC1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000022785777 526768182 /nfs/dbraw/zinc/76/81/82/526768182.db2.gz QDZYLYJFHQKPDF-JLHYYAGUSA-N 1 0 438.660 3.622 50 0 IHAARO O=C1CC[C@@H]([NH+]2CCN(c3nc4ccccc4o3)CC2)CCN1Cc1ccc(F)cc1F ZINC000012154825 526991264 /nfs/dbraw/zinc/99/12/64/526991264.db2.gz LOTGPEWDQYAPQI-LJQANCHMSA-N 1 0 440.494 3.809 50 0 IHAARO O=c1cc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc2ccc(Br)cn12 ZINC000012567477 527476034 /nfs/dbraw/zinc/47/60/34/527476034.db2.gz CGFCZLKHVCWCMD-QGZVFWFLSA-N 1 0 442.313 3.565 50 0 IHAARO O=C(/C=C/c1ccccn1)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012460209 527636708 /nfs/dbraw/zinc/63/67/08/527636708.db2.gz NZQAOCZAKUJUQD-JZILDOMLSA-N 1 0 445.607 3.982 50 0 IHAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000012997872 535419029 /nfs/dbraw/zinc/41/90/29/535419029.db2.gz MAELSZJMRWNZOQ-UHFFFAOYSA-N 1 0 436.581 3.619 50 0 IHAARO CCCCNC(=O)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C1CC1 ZINC000034831357 555912695 /nfs/dbraw/zinc/91/26/95/555912695.db2.gz VFSWDBALNMDSEL-UHFFFAOYSA-N 1 0 438.620 3.797 50 0 IHAARO CCc1nn(-c2cccc(C)c2)c(N2CC[NH+](C)CC2)c1CN(CC)Cc1cccnc1 ZINC000034836758 555914518 /nfs/dbraw/zinc/91/45/18/555914518.db2.gz XQTZFPHZGCWFCB-UHFFFAOYSA-N 1 0 432.616 3.912 50 0 IHAARO O=C(CCC(=O)N(C1CC1)C1CC[NH+](Cc2ccccc2)CC1)NCCc1ccccc1 ZINC000004241299 555978721 /nfs/dbraw/zinc/97/87/21/555978721.db2.gz JRDKNGJHMWVGST-UHFFFAOYSA-N 1 0 433.596 3.781 50 0 IHAARO C[NH+](C)CCCNC(=O)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000002804510 556143119 /nfs/dbraw/zinc/14/31/19/556143119.db2.gz VZZJBMBMCVZPSC-UHFFFAOYSA-N 1 0 431.871 3.812 50 0 IHAARO NS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000013844662 556318772 /nfs/dbraw/zinc/31/87/72/556318772.db2.gz MHVABPZSUPVRJK-UHFFFAOYSA-N 1 0 435.343 3.689 50 0 IHAARO O=C(Cc1cccnc1)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000011667862 556346500 /nfs/dbraw/zinc/34/65/00/556346500.db2.gz UQOBECXVFLYRMD-QHCPKHFHSA-N 1 0 425.548 3.683 50 0 IHAARO Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCCN3C(=O)C[NH+]3CCCCCC3)cc2)n1 ZINC000011842158 556365974 /nfs/dbraw/zinc/36/59/74/556365974.db2.gz DEYQGKKEZMVIQY-QHCPKHFHSA-N 1 0 437.588 3.685 50 0 IHAARO CC(=O)c1ccc(OCC(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)cc1 ZINC000011934646 556377625 /nfs/dbraw/zinc/37/76/25/556377625.db2.gz XJFVIMYZMBHSND-FQEVSTJZSA-N 1 0 426.532 3.820 50 0 IHAARO CN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)c1cn(Cc2ccccc2Cl)nn1 ZINC000011934716 556377975 /nfs/dbraw/zinc/37/79/75/556377975.db2.gz MBOPFHPMFNFANK-UHFFFAOYSA-N 1 0 437.975 3.964 50 0 IHAARO CCn1nc(C)cc1C(=O)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012030889 556388822 /nfs/dbraw/zinc/38/88/22/556388822.db2.gz JHLPMEGGCZKCCP-JOCHJYFZSA-N 1 0 442.579 3.884 50 0 IHAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2Cc2cnn(-c3cccc(OC)c3)c2)c1 ZINC000012039002 556390533 /nfs/dbraw/zinc/39/05/33/556390533.db2.gz ONNGJNQRDUEBTR-OAQYLSRUSA-N 1 0 434.540 3.560 50 0 IHAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2cnn(-c3nccc(-c4ccccc4F)n3)c2C2CC2)C1 ZINC000012056145 556394230 /nfs/dbraw/zinc/39/42/30/556394230.db2.gz BNRDGLVVNOTZTH-SFHVURJKSA-N 1 0 448.546 3.902 50 0 IHAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)c1cccc(NC(C)=O)c1 ZINC000012057970 556394821 /nfs/dbraw/zinc/39/48/21/556394821.db2.gz JBVMFYOCVGFXRQ-UHFFFAOYSA-N 1 0 441.547 3.785 50 0 IHAARO O=C1CSc2sc3c(ncn(C[C@H](c4ccccc4)[NH+]4CCCCC4)c3=O)c2N1 ZINC000032624518 556411453 /nfs/dbraw/zinc/41/14/53/556411453.db2.gz VCBATQVTWJOUOS-OAHLLOKOSA-N 1 0 426.567 3.729 50 0 IHAARO CC(C)CN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1ccccc1)CC2 ZINC000014542589 556426066 /nfs/dbraw/zinc/42/60/66/556426066.db2.gz FKKSLGQARDRQEJ-UHFFFAOYSA-N 1 0 434.584 3.969 50 0 IHAARO C[C@@H]([NH2+]CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc2ccccc2c1 ZINC000012995982 556431081 /nfs/dbraw/zinc/43/10/81/556431081.db2.gz HUGGWOZMRPIHLO-LJQANCHMSA-N 1 0 431.536 3.564 50 0 IHAARO CC(C)C[N@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H](C(=O)NCc2cccc(F)c2)C1 ZINC000014733597 556437882 /nfs/dbraw/zinc/43/78/82/556437882.db2.gz KZPMDRIDNLBOFQ-RBUKOAKNSA-N 1 0 429.511 3.814 50 0 IHAARO O=C(CSc1nnc(-c2cccs2)n1C1CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000027977688 556438096 /nfs/dbraw/zinc/43/80/96/556438096.db2.gz RWQDACRHWPDSOT-KRWDZBQOSA-N 1 0 439.610 3.824 50 0 IHAARO CSC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(C1Cc3ccccc3C1)C(=O)N2CC(C)C ZINC000014740680 556438467 /nfs/dbraw/zinc/43/84/67/556438467.db2.gz POTAUBNZOKARDF-GOSISDBHSA-N 1 0 429.630 3.660 50 0 IHAARO COc1ccc2ccccc2c1C[NH2+][C@H]1CCc2c(c(C(=O)N3CCCCC3)nn2C)C1 ZINC000014744396 556440332 /nfs/dbraw/zinc/44/03/32/556440332.db2.gz JEJXSOHTWDEFPG-IBGZPJMESA-N 1 0 432.568 3.855 50 0 IHAARO COc1cc(CCC2CC[NH+](CC(=O)NCCc3ccc(F)cc3)CC2)cc(OC)c1 ZINC000014777783 556445458 /nfs/dbraw/zinc/44/54/58/556445458.db2.gz KDZIVKKYRZBIKC-UHFFFAOYSA-N 1 0 428.548 3.846 50 0 IHAARO CCN1CCN(C(=O)c2ccc(N3CCC([NH2+][C@H](C)Cc4ccsc4)CC3)cc2)CC1 ZINC000014879986 556453167 /nfs/dbraw/zinc/45/31/67/556453167.db2.gz GRXMQQKEXLPUPR-HXUWFJFHSA-N 1 0 440.657 3.715 50 0 IHAARO CCOC(=O)c1c(C)oc2nc(C)nc(NCCCN3CC[NH+](C4CCCCC4)CC3)c21 ZINC000022937126 556457907 /nfs/dbraw/zinc/45/79/07/556457907.db2.gz DVKNFUVPPAYDIB-UHFFFAOYSA-N 1 0 443.592 3.769 50 0 IHAARO O=C(NCCC[N@H+]1CCC[C@@H](O)C1)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1 ZINC000014953788 556461482 /nfs/dbraw/zinc/46/14/82/556461482.db2.gz PZMPSQOCTWQBSX-LJQANCHMSA-N 1 0 427.932 3.649 50 0 IHAARO CCOC(=O)C1=C(C[N@H+](C)C2CCCCC2)NC(=O)N[C@H]1c1ccccc1OC(F)F ZINC000028892017 556463005 /nfs/dbraw/zinc/46/30/05/556463005.db2.gz KJSYLALSOOWMQO-IBGZPJMESA-N 1 0 437.487 3.724 50 0 IHAARO COc1ccc([C@H](CNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)[NH+](C)C)cc1 ZINC000028932348 556464466 /nfs/dbraw/zinc/46/44/66/556464466.db2.gz ZOMANXYAYBGNLA-PKOBYXMFSA-N 1 0 433.961 3.571 50 0 IHAARO C[NH+](C)Cc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NC[C@H]1CCCO1 ZINC000014983472 556471614 /nfs/dbraw/zinc/47/16/14/556471614.db2.gz DEOXZXFYDSVGBN-GOSISDBHSA-N 1 0 425.554 3.699 50 0 IHAARO C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@@H+](C/C=C/c1ccccc1)CC2 ZINC000014992347 556475465 /nfs/dbraw/zinc/47/54/65/556475465.db2.gz ZVURMIMNMCSOSV-LNYGYFNRSA-N 1 0 429.568 3.660 50 0 IHAARO O=C(NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1)c1cn(Cc2ccccc2Cl)nn1 ZINC000015064127 556491670 /nfs/dbraw/zinc/49/16/70/556491670.db2.gz ZQKAJOHWZNHXQM-NRFANRHFSA-N 1 0 427.911 3.686 50 0 IHAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)CCCn2cncn2)CC1 ZINC000015065424 556492370 /nfs/dbraw/zinc/49/23/70/556492370.db2.gz MBDYXGKRYSOGLU-UHFFFAOYSA-N 1 0 446.599 3.703 50 0 IHAARO O=C(NC[C@H]1CCC[N@H+](Cc2cccn2-c2ncccn2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000015071109 556495902 /nfs/dbraw/zinc/49/59/02/556495902.db2.gz FMRUIZSOATWURJ-LJQANCHMSA-N 1 0 449.986 3.981 50 0 IHAARO CCC[NH+]1CCN(CCCNC(=O)c2ccc(N3CCCc4ccccc43)s2)CC1 ZINC000022937324 556505624 /nfs/dbraw/zinc/50/56/24/556505624.db2.gz FQLJXBPDKGKUEZ-UHFFFAOYSA-N 1 0 426.630 3.980 50 0 IHAARO Cc1c(OCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc2c3c(c(=O)oc12)CCC3 ZINC000013571646 556522214 /nfs/dbraw/zinc/52/22/14/556522214.db2.gz BHGCXJCCRAGOBS-UHFFFAOYSA-N 1 0 446.547 3.750 50 0 IHAARO O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000032903052 556541955 /nfs/dbraw/zinc/54/19/55/556541955.db2.gz OVGXDICKOMWASK-LPHOPBHVSA-N 1 0 449.498 3.899 50 0 IHAARO CCC(=O)Nc1nc2ccc(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2s1 ZINC000032959664 556549687 /nfs/dbraw/zinc/54/96/87/556549687.db2.gz FGLWQSJFFHGYSS-UHFFFAOYSA-N 1 0 436.581 3.968 50 0 IHAARO CSc1cccc(NC(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)c1 ZINC000033326836 556562134 /nfs/dbraw/zinc/56/21/34/556562134.db2.gz JBDUKZMZSDXMSA-UHFFFAOYSA-N 1 0 426.590 3.851 50 0 IHAARO CN(C(=O)c1cnc(-c2ccc3c(c2)OCO3)nc1Nc1ccccc1F)[C@H]1CC[N@H+](C)C1 ZINC000034921964 556586539 /nfs/dbraw/zinc/58/65/39/556586539.db2.gz VIWKYYRUYWTUFW-INIZCTEOSA-N 1 0 449.486 3.531 50 0 IHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccccc2Cl)CC1 ZINC000036341010 556596816 /nfs/dbraw/zinc/59/68/16/556596816.db2.gz TYWBYJCSIFHHDM-QHCPKHFHSA-N 1 0 440.975 3.664 50 0 IHAARO CC[NH+](CC)CCNC(=O)CCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000032975010 556597019 /nfs/dbraw/zinc/59/70/19/556597019.db2.gz TYFGLBVTIHHXHR-UHFFFAOYSA-N 1 0 434.540 3.659 50 0 IHAARO O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000032986396 556605747 /nfs/dbraw/zinc/60/57/47/556605747.db2.gz IGSHQESBBUHXRH-SFHVURJKSA-N 1 0 428.945 3.873 50 0 IHAARO Cc1ccccc1NC(=O)c1nnc(CCCC(=O)NCCC[NH+]2CCCCCC2)s1 ZINC000032995380 556610254 /nfs/dbraw/zinc/61/02/54/556610254.db2.gz RSWLMXNUXWFFLX-UHFFFAOYSA-N 1 0 443.617 3.804 50 0 IHAARO CCOc1cc(C[NH2+]CCSc2nnnn2C)cc(Cl)c1OCc1ccccc1 ZINC000016688633 556626737 /nfs/dbraw/zinc/62/67/37/556626737.db2.gz XNDHTLIGZYIKLK-UHFFFAOYSA-N 1 0 433.965 3.723 50 0 IHAARO CCOc1ccc2nc(N3CCC[C@H](C(=O)NCC[NH+]4CCCCCC4)C3)sc2c1 ZINC000005106217 556635509 /nfs/dbraw/zinc/63/55/09/556635509.db2.gz PTEYHALVCARDTK-SFHVURJKSA-N 1 0 430.618 3.904 50 0 IHAARO Cc1cc2nc(C)c(=O)n(Cc3ccc(C(=O)NCC[NH+]4CCCCC4)cc3)c2cc1C ZINC000033006009 556655232 /nfs/dbraw/zinc/65/52/32/556655232.db2.gz LEGPYYINBUPFJD-UHFFFAOYSA-N 1 0 432.568 3.586 50 0 IHAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(=O)n2c3cc(C)c(C)cc3nc2s1 ZINC000033009080 556656257 /nfs/dbraw/zinc/65/62/57/556656257.db2.gz BQBDIFYSNIKGNW-KRWDZBQOSA-N 1 0 426.586 3.910 50 0 IHAARO CC[NH+](CC)CCCN[C@]1(c2ccccc2)c2cccc(Br)c2N(C)C1=O ZINC000044124864 556666164 /nfs/dbraw/zinc/66/61/64/556666164.db2.gz JCSKGYNXANOAAB-JOCHJYFZSA-N 1 0 430.390 3.991 50 0 IHAARO CCCc1nnc(C(=O)Nc2cccc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c2)s1 ZINC000033022772 556687914 /nfs/dbraw/zinc/68/79/14/556687914.db2.gz LPTMDTFZIZUNCV-INIZCTEOSA-N 1 0 429.590 3.737 50 0 IHAARO Cn1c(=O)cc(SCC(=O)NCCC[N@H+](C)Cc2ccccc2)c2ccc(Cl)cc21 ZINC000013574437 556699091 /nfs/dbraw/zinc/69/90/91/556699091.db2.gz LEMUSTZVVXXBLT-UHFFFAOYSA-N 1 0 444.000 3.922 50 0 IHAARO COc1cccc(CN2CC[N@H+](Cc3c(C)cc(C)cc3-n3cccn3)C[C@@H]2CCO)c1 ZINC000019222683 556716206 /nfs/dbraw/zinc/71/62/06/556716206.db2.gz JJNQQYAZUQNRQG-QHCPKHFHSA-N 1 0 434.584 3.567 50 0 IHAARO CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(=O)Cc1ccc(Br)cc1 ZINC000079026028 556737732 /nfs/dbraw/zinc/73/77/32/556737732.db2.gz MOCNJUPTLZQSJA-JOCHJYFZSA-N 1 0 445.401 3.896 50 0 IHAARO CN(C[C@H]1CCCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC000058080042 556756682 /nfs/dbraw/zinc/75/66/82/556756682.db2.gz PFLAUIRUKZRSSJ-MOPGFXCFSA-N 1 0 434.581 3.705 50 0 IHAARO Cc1nn([C@H]2CCS(=O)(=O)C2)c2ncc(C[NH2+][C@H](C)c3ccc4c(c3)CCCC4)cc12 ZINC000058172274 556768491 /nfs/dbraw/zinc/76/84/91/556768491.db2.gz MZBGMNCHULERMF-ZHRRBRCNSA-N 1 0 438.597 3.829 50 0 IHAARO Cc1nonc1[C@@H]1CCCN1C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000067472862 556842739 /nfs/dbraw/zinc/84/27/39/556842739.db2.gz IOTRAVIGNVEOPV-QHCPKHFHSA-N 1 0 447.539 3.794 50 0 IHAARO Cc1ccc2[nH]c(N3CCC(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)CC3)nc2c1 ZINC000033070766 556851189 /nfs/dbraw/zinc/85/11/89/556851189.db2.gz CEMGXPQLWYYPSL-UHFFFAOYSA-N 1 0 431.584 3.869 50 0 IHAARO CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)NCC[N@H+](C)Cc3ccccc3)C2)s1 ZINC000033078393 556853472 /nfs/dbraw/zinc/85/34/72/556853472.db2.gz MYJDTEDVZWSZQE-LJQANCHMSA-N 1 0 437.613 3.718 50 0 IHAARO COc1ccccc1N1CC[NH+](CCCNC(=O)[C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000033126146 556866682 /nfs/dbraw/zinc/86/66/82/556866682.db2.gz UWWCSXOLBYWHRR-JOCHJYFZSA-N 1 0 446.595 3.925 50 0 IHAARO COc1ccccc1N1CC[NH+](C[C@@H](O)COCCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000019731847 556876748 /nfs/dbraw/zinc/87/67/48/556876748.db2.gz JCRGONLOGVHSQU-IEFUJUGPSA-N 1 0 428.617 3.801 50 0 IHAARO O=c1c2c(ncn1CCc1ccccn1)sc1c2CC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000019741311 556883117 /nfs/dbraw/zinc/88/31/17/556883117.db2.gz KVFRVXZUBRIYAI-LJQANCHMSA-N 1 0 434.540 3.882 50 0 IHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)[C@H](N1CCCCC1)S2 ZINC000004712079 556890320 /nfs/dbraw/zinc/89/03/20/556890320.db2.gz FDHSAMVGGYCYTJ-GAJHUEQPSA-N 1 0 430.618 3.537 50 0 IHAARO O[C@H](COc1ccc(Br)cc1)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000020137866 556988666 /nfs/dbraw/zinc/98/86/66/556988666.db2.gz OLXHJRBQZQLCPW-SFHVURJKSA-N 1 0 425.754 3.664 50 0 IHAARO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3cc(C)ccc3-n3cccn3)C2)CC1 ZINC000020166204 556993768 /nfs/dbraw/zinc/99/37/68/556993768.db2.gz ZBLJLRHSTUASQT-XMMPIXPASA-N 1 0 445.611 3.976 50 0 IHAARO CCN1CC[NH+](C2CCN(Cc3nc(C4(c5ccc(C)cc5)CCCC4)no3)CC2)CC1 ZINC000020232993 557002001 /nfs/dbraw/zinc/00/20/01/557002001.db2.gz FLFZASWZUPOVKV-UHFFFAOYSA-N 1 0 437.632 3.840 50 0 IHAARO CC(C)COC(=O)N1CCC([NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000097234050 557009188 /nfs/dbraw/zinc/00/91/88/557009188.db2.gz VXGCKYASIGVDRB-SFHVURJKSA-N 1 0 428.360 3.945 50 0 IHAARO CCOc1cc(/C=C/C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(Cl)c1OC ZINC000048345017 557071808 /nfs/dbraw/zinc/07/18/08/557071808.db2.gz HCNXHAAQEFNLEU-HPRQGZMESA-N 1 0 436.980 3.861 50 0 IHAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2)Cc1ccccc1 ZINC000048366859 557075392 /nfs/dbraw/zinc/07/53/92/557075392.db2.gz QRPQBWBZNWCKPW-MRXNPFEDSA-N 1 0 430.936 3.746 50 0 IHAARO CC1CC[NH+](CCNS(=O)(=O)c2ccccc2-c2nc(-c3cccc(F)c3)no2)CC1 ZINC000033307190 557086380 /nfs/dbraw/zinc/08/63/80/557086380.db2.gz PMLHJVJGVBZIED-UHFFFAOYSA-N 1 0 444.532 3.553 50 0 IHAARO CCC[N@@H+]1CCc2nc(-c3ccccc3)n(CC(=O)Nc3ccccc3Cl)c(=O)c2C1 ZINC000049400691 557096273 /nfs/dbraw/zinc/09/62/73/557096273.db2.gz GBAVOXHSXAQEBE-UHFFFAOYSA-N 1 0 436.943 3.971 50 0 IHAARO Cc1ccc(C)n1-c1nnc(N2CCC[C@@H](C(=O)NCCC[NH+]3CCCCCC3)C2)s1 ZINC000033315251 557097286 /nfs/dbraw/zinc/09/72/86/557097286.db2.gz VKDROWYNFRPVQA-HXUWFJFHSA-N 1 0 444.649 3.544 50 0 IHAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)c1cccc(OC)c1 ZINC000010917313 557099143 /nfs/dbraw/zinc/09/91/43/557099143.db2.gz NZJGXYXQCUXSCC-FOIQADDNSA-N 1 0 427.570 3.941 50 0 IHAARO CCN1CCN(C(=O)[C@H](C)[NH2+]C[C@H](c2c[nH]c3ccccc32)c2ccc(N(C)C)cc2)CC1 ZINC000023907578 557124457 /nfs/dbraw/zinc/12/44/57/557124457.db2.gz NGEZKGNFMZHMJM-RDPSFJRHSA-N 1 0 447.627 3.508 50 0 IHAARO COc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CC[NH+](C)C)c1OC ZINC000011614662 557211299 /nfs/dbraw/zinc/21/12/99/557211299.db2.gz DNPAJIITEWMKKT-LJQANCHMSA-N 1 0 442.899 3.570 50 0 IHAARO CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)C[NH2+]CC1CCCCC1 ZINC000014066292 557295091 /nfs/dbraw/zinc/29/50/91/557295091.db2.gz NANPXUAQFAKQJY-UHFFFAOYSA-N 1 0 437.606 3.824 50 0 IHAARO C[C@H]([NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc2ccccc2c1 ZINC000014123913 557306268 /nfs/dbraw/zinc/30/62/68/557306268.db2.gz HWRMEAIYKJNWHU-SFHVURJKSA-N 1 0 437.565 3.914 50 0 IHAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2CCCN2C(=O)c2ccco2)cc1 ZINC000032908750 557317481 /nfs/dbraw/zinc/31/74/81/557317481.db2.gz UVHZVWUCPWMAHP-QHCPKHFHSA-N 1 0 431.536 3.929 50 0 IHAARO CCn1c(C)cc(O)c([C@H](c2ccc(OC)cc2)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000024022784 557391139 /nfs/dbraw/zinc/39/11/39/557391139.db2.gz CJSAMEQKHINHGH-VWLOTQADSA-N 1 0 433.552 3.802 50 0 IHAARO COC(=O)C1C(C[NH+]2CCC(Cc3ccccc3)CC2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000051318310 557469904 /nfs/dbraw/zinc/46/99/04/557469904.db2.gz PAIWEEIITWUZLE-DEOSSOPVSA-N 1 0 433.552 3.731 50 0 IHAARO COC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccc(NC(=O)c3ccc(OC)cc3)cc2)CC1 ZINC000014985739 557826857 /nfs/dbraw/zinc/82/68/57/557826857.db2.gz SQLHRSGBGKQYMX-QHCPKHFHSA-N 1 0 437.540 3.554 50 0 IHAARO CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000002626575 562928633 /nfs/dbraw/zinc/92/86/33/562928633.db2.gz RUCUWFBXMWQVCN-UHFFFAOYSA-N 1 0 443.613 3.896 50 0 IHAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2cc3cccc(OC)c3oc2=O)cc1 ZINC000008584821 562950105 /nfs/dbraw/zinc/95/01/05/562950105.db2.gz RQTYEWHBXLVQPN-UHFFFAOYSA-N 1 0 438.480 3.553 50 0 IHAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN1c2cc(C)ccc2Oc2ncccc2C1=O ZINC000008590310 562951624 /nfs/dbraw/zinc/95/16/24/562951624.db2.gz LXHDEMCRAJWESX-LJQANCHMSA-N 1 0 436.556 3.913 50 0 IHAARO CCOC(=O)c1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000008860077 562965272 /nfs/dbraw/zinc/96/52/72/562965272.db2.gz PMFBTJZOTSGQOY-INIZCTEOSA-N 1 0 444.553 3.863 50 0 IHAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1 ZINC000009731576 562976239 /nfs/dbraw/zinc/97/62/39/562976239.db2.gz GGKPSXTUPHEENQ-LJQANCHMSA-N 1 0 432.586 3.946 50 0 IHAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[S@](=O)CC(=O)NCC[NH+]1CCCCCC1 ZINC000015944434 563020270 /nfs/dbraw/zinc/02/02/70/563020270.db2.gz GVUGEKWJLJBSME-GDLZYMKVSA-N 1 0 437.993 3.544 50 0 IHAARO O[C@@H](COCc1ccco1)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104985205 568623620 /nfs/dbraw/zinc/62/36/20/568623620.db2.gz ATMVDXRQDKRHPM-ISKFKSNPSA-N 1 0 438.499 3.992 50 0 IHAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)C(=O)NCc2ccccc2Cl)CC1 ZINC000043942577 568743761 /nfs/dbraw/zinc/74/37/61/568743761.db2.gz DIPNNESQUVJNAX-UHFFFAOYSA-N 1 0 446.016 3.707 50 0 IHAARO C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000084687073 568800001 /nfs/dbraw/zinc/80/00/01/568800001.db2.gz BBCHSWCDTLTDGD-RDPSFJRHSA-N 1 0 434.584 3.613 50 0 IHAARO O=C(C[C@H]1COc2ccccc2N1Cc1ccc(F)cc1)NCCC[NH+]1CCCCC1 ZINC000085648808 568830747 /nfs/dbraw/zinc/83/07/47/568830747.db2.gz MEAXEIOREAULPP-QFIPXVFZSA-N 1 0 425.548 3.976 50 0 IHAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000012947493 568871447 /nfs/dbraw/zinc/87/14/47/568871447.db2.gz QMJVOFANWZJRRI-UHFFFAOYSA-N 1 0 429.586 3.504 50 0 IHAARO CN1CC[N@H+](CCCNC(=O)Cc2csc(Cc3ccccc3)n2)[C@@H](c2ccccc2)C1 ZINC000025264587 568880519 /nfs/dbraw/zinc/88/05/19/568880519.db2.gz BEKKUGUYAPNIGN-XMMPIXPASA-N 1 0 448.636 3.771 50 0 IHAARO CC1CC[NH+](CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000006725288 568888709 /nfs/dbraw/zinc/88/87/09/568888709.db2.gz NIYPDIVOZPQQCN-FCHUYYIVSA-N 1 0 425.598 3.897 50 0 IHAARO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+](C)[C@@H]2CCCc3ccccc32)ccc1Cl ZINC000018935278 568894525 /nfs/dbraw/zinc/89/45/25/568894525.db2.gz HNARBPHPTVNIDX-LJQANCHMSA-N 1 0 435.977 3.538 50 0 IHAARO CCn1c2c(C(=O)Nc3ccc(C)cc3)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2 ZINC000064835973 568969179 /nfs/dbraw/zinc/96/91/79/568969179.db2.gz LUNXWKIJGUVQEB-UHFFFAOYSA-N 1 0 441.535 3.635 50 0 IHAARO Cc1nc2cc(C(=O)NCCC[N@H+]3CCC[C@H](C)C3)ccc2n(Cc2ccccc2)c1=O ZINC000064859439 568972442 /nfs/dbraw/zinc/97/24/42/568972442.db2.gz KTJMOOVNIYBIDG-IBGZPJMESA-N 1 0 432.568 3.605 50 0 IHAARO O=C(NCc1ccccc1)[C@@H]1Cc2ccccc2N2CC[N@H+](CCc3ccccc3)C[C@@H]12 ZINC000169679867 568991271 /nfs/dbraw/zinc/99/12/71/568991271.db2.gz JFFQKHVYNGGCSQ-VPUSJEBWSA-N 1 0 425.576 3.909 50 0 IHAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@H](C)O ZINC000036306021 568995328 /nfs/dbraw/zinc/99/53/28/568995328.db2.gz NWYDEUCEFLAJGX-SFHVURJKSA-N 1 0 425.529 3.717 50 0 IHAARO COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](CC(C)C)C[C@H](C)O ZINC000036308978 568995697 /nfs/dbraw/zinc/99/56/97/568995697.db2.gz BDYWWGJTTAKZBT-ICSRJNTNSA-N 1 0 446.613 3.600 50 0 IHAARO CCC[C@@H](O)C[N@H+](CC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC ZINC000036309998 568996439 /nfs/dbraw/zinc/99/64/39/568996439.db2.gz XKQXBFCDSGDCQY-QUCCMNQESA-N 1 0 446.613 3.744 50 0 IHAARO CCNC(=S)N(CC[NH+](C)C)Cc1c(-c2ccccc2)noc1N1CCCC[C@H]1C ZINC000036312920 568998077 /nfs/dbraw/zinc/99/80/77/568998077.db2.gz JUYQWRPFYCORRP-GOSISDBHSA-N 1 0 429.634 3.978 50 0 IHAARO COCC[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@H](O)COC(C)C ZINC000036312969 568998135 /nfs/dbraw/zinc/99/81/35/568998135.db2.gz JRLBPCQTHLFODS-NRFANRHFSA-N 1 0 431.577 3.566 50 0 IHAARO CCOC[C@@H](O)C[N@H+](CCC(C)C)Cc1c(-c2ccccc2F)noc1N1CCOCC1 ZINC000036313450 568998559 /nfs/dbraw/zinc/99/85/59/568998559.db2.gz JXKWPQQIJJPBLC-IBGZPJMESA-N 1 0 449.567 3.563 50 0 IHAARO CCc1nc(C)nc(N2CC[NH+](C[C@@H](O)Cc3ccccc3)CC2)c1Cc1cccc(F)c1 ZINC000036340704 569078930 /nfs/dbraw/zinc/07/89/30/569078930.db2.gz KFIGIPRTKUBFEX-DEOSSOPVSA-N 1 0 448.586 3.803 50 0 IHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2ccc(OC)cc2)CC1 ZINC000036345106 569080363 /nfs/dbraw/zinc/08/03/63/569080363.db2.gz KOZWDIYFIOKUNU-RUZDIDTESA-N 1 0 434.584 3.627 50 0 IHAARO CN1c2ccccc2[C@]2(Nc3ccccc3C(=O)N2C[C@H](c2cccs2)[NH+](C)C)C1=O ZINC000036358064 569084905 /nfs/dbraw/zinc/08/49/05/569084905.db2.gz CJWHWJASGPDMJK-HYBUGGRVSA-N 1 0 432.549 3.748 50 0 IHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)nnn2Cc1ccccc1 ZINC000065030602 569091476 /nfs/dbraw/zinc/09/14/76/569091476.db2.gz PLXVORZEUAUNOV-UHFFFAOYSA-N 1 0 425.536 3.874 50 0 IHAARO C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000036386345 569093136 /nfs/dbraw/zinc/09/31/36/569093136.db2.gz JXXCWRCDPROSNO-QPPBQGQZSA-N 1 0 449.595 3.718 50 0 IHAARO O=C(c1cc2n(n1)C[C@H](c1ccc(Cl)cc1)OC2)N1CC[NH+](C2CCCCC2)CC1 ZINC000169759578 569094002 /nfs/dbraw/zinc/09/40/02/569094002.db2.gz FZZNMPPGFUTVFH-JOCHJYFZSA-N 1 0 428.964 3.899 50 0 IHAARO CN1CC[NH+](CCCNc2nnc(-c3nc(-c4ccc(F)cc4)no3)c3ccccc32)CC1 ZINC000065258334 569124507 /nfs/dbraw/zinc/12/45/07/569124507.db2.gz BXWQWLNZVKILKB-UHFFFAOYSA-N 1 0 447.518 3.535 50 0 IHAARO Cc1cc(OCC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c2c(c1)oc(=O)c1c2CCCC1 ZINC000170613415 569146245 /nfs/dbraw/zinc/14/62/45/569146245.db2.gz QUWYZSAOZTZYLN-RXVVDRJESA-N 1 0 438.568 3.740 50 0 IHAARO O=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000010216953 569153275 /nfs/dbraw/zinc/15/32/75/569153275.db2.gz JSNIESKHSUKFMT-UHFFFAOYSA-N 1 0 428.949 3.642 50 0 IHAARO O=C(c1ccc(Cn2ccccc2=O)o1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000089834939 569165379 /nfs/dbraw/zinc/16/53/79/569165379.db2.gz RCTGAWVVXCJCAZ-GMAHTHKFSA-N 1 0 431.536 3.616 50 0 IHAARO C[C@@H]([NH3+])C(=O)NCCCCCC(=O)Oc1ccc2c(c1)occ(-c1ccc(F)cc1)c2=O ZINC000002124510 569183914 /nfs/dbraw/zinc/18/39/14/569183914.db2.gz JHEVKFHQUOLENJ-OAHLLOKOSA-N 1 0 440.471 3.528 50 0 biogenic IHAARO COc1ccccc1/C=[N+]1/NC(=O)[C@H](NC(=O)c2cccc(C)c2)[C@H]1c1ccc(Cl)cc1 ZINC000252621458 569201747 /nfs/dbraw/zinc/20/17/47/569201747.db2.gz MYVQODHDBOYLTR-MNTQERNESA-O 1 0 448.930 3.673 50 0 IHAARO O=C(CCc1ccccc1)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000581820184 569211819 /nfs/dbraw/zinc/21/18/19/569211819.db2.gz WWQMETZCGUPINT-AREMUKBSSA-N 1 0 447.623 3.982 50 0 IHAARO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)CCSc2ccccc2F)CC1 ZINC000078825109 569319473 /nfs/dbraw/zinc/31/94/73/569319473.db2.gz QVDALMSBDUAOLQ-UHFFFAOYSA-N 1 0 431.577 3.597 50 0 IHAARO CCNC(=O)C1([NH2+]CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)CCCCC1 ZINC000079023296 569322621 /nfs/dbraw/zinc/32/26/21/569322621.db2.gz KPVGSTSNUIGLFH-KRWDZBQOSA-N 1 0 444.626 3.916 50 0 IHAARO COCc1c2ccccc2sc1C(=O)N(C)C[C@@H](O)C[NH+]1CCc2ccccc2CC1 ZINC000095446575 569367278 /nfs/dbraw/zinc/36/72/78/569367278.db2.gz APAHJCWSUUHXTH-HXUWFJFHSA-N 1 0 438.593 3.581 50 0 IHAARO CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000095459034 569369407 /nfs/dbraw/zinc/36/94/07/569369407.db2.gz ADFWNXRHVJRHFL-OAQYLSRUSA-N 1 0 428.964 3.522 50 0 IHAARO COc1ccc(NC(=O)Nc2ccc(N3CCC[N@H+](Cc4cccnc4)CC3)nc2)cc1 ZINC000096281050 569389815 /nfs/dbraw/zinc/38/98/15/569389815.db2.gz OPNTYKJMFFIWKJ-UHFFFAOYSA-N 1 0 432.528 3.842 50 0 IHAARO COc1ccc(/C=C\C(=O)N[C@H](C)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000096314511 569392727 /nfs/dbraw/zinc/39/27/27/569392727.db2.gz IYEMUYOUHJAGCQ-OKULMJQMSA-N 1 0 449.595 3.906 50 0 IHAARO Cc1ccc(-n2c(CC(=O)N3CC[NH+](C4CCCCC4)CC3)c3[nH]cccc-3c2=O)cc1 ZINC000096386955 569398746 /nfs/dbraw/zinc/39/87/46/569398746.db2.gz WPLCVRKYTCUFNV-QHCPKHFHSA-N 1 0 432.568 3.959 50 0 IHAARO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CS[C@]2(c3ccccc3)CCC(=O)N12)c1ccccc1 ZINC000230028121 569417954 /nfs/dbraw/zinc/41/79/54/569417954.db2.gz MVVOTBFHYVHETH-RQTOMXEWSA-N 1 0 437.609 3.777 50 0 IHAARO CN(Cn1nc(-c2ccc3c(c2)OCO3)n(-c2ccccc2)c1=S)C1CC[NH+](C)CC1 ZINC000003310204 569445433 /nfs/dbraw/zinc/44/54/33/569445433.db2.gz DKDAVKOMNATKSN-UHFFFAOYSA-N 1 0 437.569 3.782 50 0 IHAARO CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000004122561 569460048 /nfs/dbraw/zinc/46/00/48/569460048.db2.gz JGFZWQCJOVMEQG-UHFFFAOYSA-N 1 0 426.586 3.600 50 0 IHAARO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(C)cc1 ZINC000008128374 569462238 /nfs/dbraw/zinc/46/22/38/569462238.db2.gz SUCWGUJNNSZYQC-AVRDEDQJSA-N 1 0 429.586 3.847 50 0 IHAARO COc1ccccc1/C=[N+]1\NC(=O)[C@H](NC(=O)c2cccc(C)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000008396293 569463247 /nfs/dbraw/zinc/46/32/47/569463247.db2.gz MYVQODHDBOYLTR-WSBKAMHLSA-O 1 0 448.930 3.673 50 0 IHAARO COc1cc(C[NH2+][C@H]2CCN(c3ccc(C(=O)Nc4ccc(F)cc4)cn3)C2)ccc1O ZINC000067246292 569465986 /nfs/dbraw/zinc/46/59/86/569465986.db2.gz KHKXYTFFTJBMEP-FQEVSTJZSA-N 1 0 436.487 3.556 50 0 IHAARO Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000008812913 569476586 /nfs/dbraw/zinc/47/65/86/569476586.db2.gz OVVSKTDYFFCZQB-SANMLTNESA-N 1 0 447.623 3.947 50 0 IHAARO CC(C)(C)[C@@H]([C@@H](Oc1ccc(Cl)cc1)n1cncn1)n1nnnc1C1([NH3+])CCCCC1 ZINC000008856708 569479817 /nfs/dbraw/zinc/47/98/17/569479817.db2.gz SQPWJJVBRGREJT-QZTJIDSGSA-N 1 0 444.971 3.901 50 0 IHAARO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H](C(C)C)[NH2+][C@]23C(=O)Nc2c3cc(C)cc2C)cc1 ZINC000008876806 569481166 /nfs/dbraw/zinc/48/11/66/569481166.db2.gz BVTKSOLSMVGMBC-YPCDYVTLSA-N 1 0 449.551 3.900 50 0 biogenic IHAARO COC(=O)c1ccc(N2CCCC2)c(NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000040152266 569493431 /nfs/dbraw/zinc/49/34/31/569493431.db2.gz XMLHDMYJIRYPPC-NRFANRHFSA-N 1 0 428.508 3.637 50 0 IHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1csc(NC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000040355498 569499789 /nfs/dbraw/zinc/49/97/89/569499789.db2.gz SELUQZBDNNJMAA-GFCCVEGCSA-N 1 0 427.357 3.916 50 0 IHAARO CC[NH+](CC)CCCNC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc21 ZINC000009190745 569510566 /nfs/dbraw/zinc/51/05/66/569510566.db2.gz LDTCAPXIZZLRIA-VWLOTQADSA-N 1 0 432.568 3.951 50 0 IHAARO COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000009268665 569517599 /nfs/dbraw/zinc/51/75/99/569517599.db2.gz RAYKAXOUPQOMCX-UHFFFAOYSA-N 1 0 433.574 3.606 50 0 IHAARO COc1ccc(OC)c2sc(N(CC[NH+](C)C)C(=O)COc3ccc(Cl)cc3)nc21 ZINC000009604187 569551879 /nfs/dbraw/zinc/55/18/79/569551879.db2.gz PLWMWPJJVUXNJX-UHFFFAOYSA-N 1 0 449.960 3.941 50 0 IHAARO Cc1cc(=O)c(C(=O)NCc2ccccc2C[NH+]2CCCCC2)nn1-c1ccccc1F ZINC000009647139 569556385 /nfs/dbraw/zinc/55/63/85/569556385.db2.gz YARWINMBWWKRHX-UHFFFAOYSA-N 1 0 434.515 3.596 50 0 IHAARO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cccn2c(=O)c3c(nc12)sc1c3CCCC1 ZINC000009677834 569559607 /nfs/dbraw/zinc/55/96/07/569559607.db2.gz FREJBXKCQKLHJZ-HOTGVXAUSA-N 1 0 438.597 3.781 50 0 IHAARO CC[NH+](CC)CCn1c(=O)nc(SCC(=O)Nc2ccc(C)cc2C)c2c1CCCC2 ZINC000009746926 569565792 /nfs/dbraw/zinc/56/57/92/569565792.db2.gz VJLAKAFNLCPIGN-UHFFFAOYSA-N 1 0 442.629 3.812 50 0 IHAARO CC[NH+](CC)CCn1c(=O)nc(SCC(=O)Nc2ccc(Cl)cc2)c2c1CCCC2 ZINC000009747044 569565843 /nfs/dbraw/zinc/56/58/43/569565843.db2.gz AVZVGSOKEIXBQV-UHFFFAOYSA-N 1 0 449.020 3.848 50 0 IHAARO CC[NH+](CC)CCN(C(=O)COc1ccccc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000010066965 569577569 /nfs/dbraw/zinc/57/75/69/569577569.db2.gz NENOWGIFPSNVMG-UHFFFAOYSA-N 1 0 441.553 3.821 50 0 IHAARO C[NH+](C)CCN(C(=O)c1ccc2ncsc2c1)c1nc2cc3c(cc2s1)OCO3 ZINC000010065979 569577579 /nfs/dbraw/zinc/57/75/79/569577579.db2.gz NOGUSKZYQRQVFA-UHFFFAOYSA-N 1 0 426.523 3.843 50 0 IHAARO Cc1cc(C)c(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c(Br)c1 ZINC000008756265 132292855 /nfs/dbraw/zinc/29/28/55/132292855.db2.gz HJIWVZVOUANUHW-UHFFFAOYSA-N 1 0 432.362 3.835 50 0 IHAARO CC[NH+]1CCN(c2ccc(NC(=O)C3CCN(C(=O)Nc4ccccc4)CC3)cc2)CC1 ZINC000009209116 132308666 /nfs/dbraw/zinc/30/86/66/132308666.db2.gz NRZGFIACLNUSRY-UHFFFAOYSA-N 1 0 435.572 3.711 50 0 IHAARO CCOc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3ccccc3OC)CC2)CC1 ZINC000009849669 132330081 /nfs/dbraw/zinc/33/00/81/132330081.db2.gz NHUOOORYPDCIHC-UHFFFAOYSA-N 1 0 437.584 3.655 50 0 IHAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)CSc2ccc(Cl)cc2)CC1 ZINC000009933719 132331904 /nfs/dbraw/zinc/33/19/04/132331904.db2.gz ANKOVQAHFQZSJL-UHFFFAOYSA-N 1 0 447.988 3.999 50 0 IHAARO CCC[NH+]1CCN(CCCNC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)CC1 ZINC000020465953 519858053 /nfs/dbraw/zinc/85/80/53/519858053.db2.gz LZSGNVOMBLITJK-UHFFFAOYSA-N 1 0 439.629 3.851 50 0 IHAARO CCOC(=O)C1=C(C[NH2+]CCc2ccc(Cl)cc2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000012412551 520520679 /nfs/dbraw/zinc/52/06/79/520520679.db2.gz WECNHEGSUFIKIV-FQEVSTJZSA-N 1 0 448.350 3.997 50 0 IHAARO CCOC(=O)C1CCN(C(=O)C2CC[NH+](Cc3cn(C)c4ccc(Cl)cc34)CC2)CC1 ZINC000035457844 520555807 /nfs/dbraw/zinc/55/58/07/520555807.db2.gz CFZLSFRMXPBZAS-UHFFFAOYSA-N 1 0 445.991 3.845 50 0 IHAARO CC[NH+](CC)CCCN1C(=O)c2cc3oc(C)cc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021526355 520605540 /nfs/dbraw/zinc/60/55/40/520605540.db2.gz KHXCOHDZAVUCPZ-RUZDIDTESA-N 1 0 442.604 3.938 50 0 IHAARO CC[NH+](CC)[C@@H](CNC(=O)C[C@H]1Sc2ccccc2NC1=O)c1cccc(OC)c1 ZINC000022700920 520832204 /nfs/dbraw/zinc/83/22/04/520832204.db2.gz DBCOHNAFJVEPFS-PZJWPPBQSA-N 1 0 427.570 3.697 50 0 IHAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2cnn(-c3nccc(-c4cccs4)n3)c2C2CC2)C1 ZINC000012328504 520872862 /nfs/dbraw/zinc/87/28/62/520872862.db2.gz STICOMPSAPTNSA-KRWDZBQOSA-N 1 0 436.585 3.825 50 0 IHAARO CCOC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000036046344 521113197 /nfs/dbraw/zinc/11/31/97/521113197.db2.gz ZVKLRSXGRVQHCN-KNQAVFIVSA-N 1 0 433.495 3.707 50 0 IHAARO CC[NH+]1CCN([C@@H](c2ccccc2Cl)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 ZINC000021098143 521692428 /nfs/dbraw/zinc/69/24/28/521692428.db2.gz CJMNGRMMYSGPRU-QHCPKHFHSA-N 1 0 441.959 3.884 50 0 IHAARO Cn1cc([C@H](CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)[NH+](C)C)c2ccccc21 ZINC000021698572 522009318 /nfs/dbraw/zinc/00/93/18/522009318.db2.gz LMDZYEUTBIOQCY-IBGZPJMESA-N 1 0 432.446 3.555 50 0 IHAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1cccs1 ZINC000021763066 522022359 /nfs/dbraw/zinc/02/23/59/522022359.db2.gz OGGCXTKUYVFCDK-IBGZPJMESA-N 1 0 447.557 3.721 50 0 IHAARO COc1cc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc(OC)c1Br ZINC000021639870 522124607 /nfs/dbraw/zinc/12/46/07/522124607.db2.gz SJKUHIHRRNHXLQ-UHFFFAOYSA-N 1 0 433.346 3.992 50 0 IHAARO COC(=O)c1ccccc1C(=O)N(CCC[NH+](C)C)c1nc2c(s1)c(C)ccc2OC ZINC000035586513 522255029 /nfs/dbraw/zinc/25/50/29/522255029.db2.gz SEDJFJHJJDCXBR-UHFFFAOYSA-N 1 0 441.553 3.998 50 0 IHAARO COc1cc(C[NH+]2CCC(n3nccc3NC(=O)c3ccccc3)CC2)cc2c1OCO2 ZINC000012199247 522369031 /nfs/dbraw/zinc/36/90/31/522369031.db2.gz MOOXFNGUCPUBGR-UHFFFAOYSA-N 1 0 434.496 3.710 50 0 IHAARO COCCC(=O)N[C@H](C)c1nnc2n1CC[N@@H+](Cc1ccc(-c3ccccc3C)cc1)CC2 ZINC000020913580 522955894 /nfs/dbraw/zinc/95/58/94/522955894.db2.gz IUDWPERKMMWEMY-HXUWFJFHSA-N 1 0 447.583 3.526 50 0 IHAARO CN(Cc1cc2cc(F)ccc2[nH]1)Cc1ccccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000012297707 523184886 /nfs/dbraw/zinc/18/48/86/523184886.db2.gz LRRQOVAYFKDRNX-QFIPXVFZSA-N 1 0 443.588 3.728 50 0 IHAARO CN(Cc1ccc(Br)cc1)C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012327008 523195690 /nfs/dbraw/zinc/19/56/90/523195690.db2.gz WHEHKTFQUVSOKI-GOSISDBHSA-N 1 0 444.373 3.758 50 0 IHAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)cc1)C(c1ccc(F)cc1)=N2 ZINC000035372690 523788545 /nfs/dbraw/zinc/78/85/45/523788545.db2.gz UTBVEFMAFTVFCR-UHFFFAOYSA-N 1 0 428.508 3.960 50 0 IHAARO C[N@@H+]1CCC[C@@H](C(=O)N2CCC(CCC(=O)N3CCC(Cc4ccccc4)CC3)CC2)C1 ZINC000012458412 523813334 /nfs/dbraw/zinc/81/33/34/523813334.db2.gz REMQVZFBKCFXLT-RUZDIDTESA-N 1 0 439.644 3.828 50 0 IHAARO COc1ccc(CC(=O)Nc2ccc(N3CCC([NH2+]CCCn4cccn4)CC3)cc2)cc1 ZINC000012726649 523908188 /nfs/dbraw/zinc/90/81/88/523908188.db2.gz ZFDALTLYFLHGCU-UHFFFAOYSA-N 1 0 447.583 3.722 50 0 IHAARO Cc1cc(C)n(CC(=O)N(C)C[C@H]2CCC[N@H+](CCc3cccc(C(F)(F)F)c3)C2)n1 ZINC000012707168 524501465 /nfs/dbraw/zinc/50/14/65/524501465.db2.gz PQHRGKHCFWREPF-HXUWFJFHSA-N 1 0 436.522 3.932 50 0 IHAARO Cc1cc(C)n(Cc2c(C)onc2C(=O)NCC2CC[NH+](Cc3ccc(C)cc3)CC2)n1 ZINC000020994046 524535710 /nfs/dbraw/zinc/53/57/10/524535710.db2.gz SYPMKQQUHNDODS-UHFFFAOYSA-N 1 0 435.572 3.795 50 0 IHAARO C[C@H](NC(=O)C1CC1)c1nnc2n1CC[N@@H+](Cc1ccc(-c3cccc(Cl)c3)o1)CC2 ZINC000020909047 524905092 /nfs/dbraw/zinc/90/50/92/524905092.db2.gz RRNIDSLXLTVNCX-HNNXBMFYSA-N 1 0 439.947 3.837 50 0 IHAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCCc2cscn2)c1 ZINC000012387539 524925116 /nfs/dbraw/zinc/92/51/16/524925116.db2.gz MAUBGUXMRMFPAG-UHFFFAOYSA-N 1 0 429.586 3.910 50 0 IHAARO Cc1ccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@H]34)CC2)c(C)c1 ZINC000070686476 524963707 /nfs/dbraw/zinc/96/37/07/524963707.db2.gz SVKLPRDZURGQKV-IUHGBDCNSA-N 1 0 438.612 3.710 50 0 biogenic IHAARO Cc1cccc2sc(N(CCC[NH+](C)C)C(=O)CCS(=O)(=O)c3ccccc3)nc21 ZINC000012140968 524998741 /nfs/dbraw/zinc/99/87/41/524998741.db2.gz VFPQTKCMEUCEOP-UHFFFAOYSA-N 1 0 445.610 3.753 50 0 IHAARO Cc1ccccc1-c1ccc(C[N@H+](C)CCn2cc(C(=O)NCc3ccncc3)nn2)cc1 ZINC000012242835 525004878 /nfs/dbraw/zinc/00/48/78/525004878.db2.gz BMVOCYPVHXGBCH-UHFFFAOYSA-N 1 0 440.551 3.711 50 0 IHAARO Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000022781387 525013408 /nfs/dbraw/zinc/01/34/08/525013408.db2.gz BNKVRBXHBHYQML-UHFFFAOYSA-N 1 0 443.595 3.701 50 0 IHAARO Cc1ccc(OCCN2CC[NH+](Cc3ccccc3)CC2)c(I)c1 ZINC000020500102 525418797 /nfs/dbraw/zinc/41/87/97/525418797.db2.gz CVJVQDMWOMFBBO-UHFFFAOYSA-N 1 0 436.337 3.796 50 0 IHAARO COc1cccc(CN2CCN(Cc3ccc(C[NH+]4CCCCC4)s3)C[C@@H]2CCO)c1 ZINC000022852882 525946650 /nfs/dbraw/zinc/94/66/50/525946650.db2.gz CCJIRDXTKSRBMA-QFIPXVFZSA-N 1 0 443.657 3.811 50 0 IHAARO CSc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CC[NH+](C)CC2)cc1 ZINC000022698285 526063160 /nfs/dbraw/zinc/06/31/60/526063160.db2.gz QLTRRWWFOBDVED-QHCPKHFHSA-N 1 0 439.581 3.562 50 0 IHAARO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(c5cccc(Cl)c5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000070670116 526238049 /nfs/dbraw/zinc/23/80/49/526238049.db2.gz HXHILYRRLVJUGI-LABLHSEPSA-N 1 0 445.003 3.747 50 0 IHAARO Cc1nnsc1C(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012440604 526440134 /nfs/dbraw/zinc/44/01/34/526440134.db2.gz NDYXMCDDPQDPEQ-IBGZPJMESA-N 1 0 432.565 3.519 50 0 IHAARO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2F)C1)N1CCN(c2ccccn2)CC1 ZINC000012193660 526554255 /nfs/dbraw/zinc/55/42/55/526554255.db2.gz LSNPBWDDAXMFFB-IBGZPJMESA-N 1 0 428.527 3.701 50 0 IHAARO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc(OCCO)cc2)C1)NCc1ccc(F)c(F)c1 ZINC000012459689 526555113 /nfs/dbraw/zinc/55/51/13/526555113.db2.gz WQKKDYMORHSYON-SFHVURJKSA-N 1 0 432.511 3.645 50 0 IHAARO O=C(c1cc(C2CC2)n[nH]1)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012431177 526602563 /nfs/dbraw/zinc/60/25/63/526602563.db2.gz PQGDVYUJCRLPNF-OAQYLSRUSA-N 1 0 440.563 3.960 50 0 IHAARO O=C(NCc1ccco1)C1CCN(c2nc3ccccc3n2CC[NH+]2CCCCC2)CC1 ZINC000034906495 526774256 /nfs/dbraw/zinc/77/42/56/526774256.db2.gz LMGQXXMQOHIVSK-UHFFFAOYSA-N 1 0 435.572 3.648 50 0 IHAARO O=C(CN1CC[NH+](Cc2cccc3ccccc32)CC1)NCCc1c[nH]c2ccccc12 ZINC000022790573 526775642 /nfs/dbraw/zinc/77/56/42/526775642.db2.gz NGHDCHFEWJSIDN-UHFFFAOYSA-N 1 0 426.564 3.798 50 0 IHAARO O=C(c1ccccc1OC1CC[NH+](Cc2cccn2-c2ncccn2)CC1)N1CCCCC1 ZINC000012589770 526810869 /nfs/dbraw/zinc/81/08/69/526810869.db2.gz HCNDJPHLJOKKKJ-UHFFFAOYSA-N 1 0 445.567 3.937 50 0 IHAARO O=C(c1ccco1)N1CCc2c(cc(-c3cccc(F)c3)c(=O)n2CC[NH+]2CCCCC2)C1 ZINC000014536081 526832523 /nfs/dbraw/zinc/83/25/23/526832523.db2.gz FTWGABWTVHEIGJ-UHFFFAOYSA-N 1 0 449.526 3.932 50 0 IHAARO O=C(COCc1cc(-c2cccs2)on1)NCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000021528186 526939960 /nfs/dbraw/zinc/93/99/60/526939960.db2.gz REYWMYBNEBHITD-UHFFFAOYSA-N 1 0 439.581 3.991 50 0 IHAARO O=S(=O)(NC[C@@H]1CCC2(CC[NH+](C/C=C/c3ccccc3)CC2)O1)c1ccccc1 ZINC000011839572 527223985 /nfs/dbraw/zinc/22/39/85/527223985.db2.gz MYSLTNGUQJSSOT-FNNXTJRKSA-N 1 0 426.582 3.692 50 0 IHAARO Cc1nccn1CCNC(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012442634 527431314 /nfs/dbraw/zinc/43/13/14/527431314.db2.gz PBCUUAODYOFYBM-UHFFFAOYSA-N 1 0 432.568 3.707 50 0 IHAARO O=c1c2c3c(sc2ncn1CCCO)C[C@@H]([NH2+]CC1(c2ccccc2)CCCC1)CC3 ZINC000014996576 527460881 /nfs/dbraw/zinc/46/08/81/527460881.db2.gz KCYZHKQGBBETIX-IBGZPJMESA-N 1 0 437.609 3.799 50 0 IHAARO Cn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CCc1nc(-c3ccccc3)cs1)C2 ZINC000014745962 527540690 /nfs/dbraw/zinc/54/06/90/527540690.db2.gz IKQLHGBTJXHTBH-LJQANCHMSA-N 1 0 449.624 3.859 50 0 IHAARO Cn1nc2nc(N3CC[NH+](Cc4ccccc4)CC3)nc(-c3ccccc3Cl)c2c1N ZINC000035929774 527563297 /nfs/dbraw/zinc/56/32/97/527563297.db2.gz YEPJAGJRIKRXQW-UHFFFAOYSA-N 1 0 433.947 3.588 50 0 IHAARO CC[NH+](CC)CCCN/C=C1\c2ccccc2C(=O)N(c2cc(OC)ccc2OC)C1=O ZINC000002224830 535507216 /nfs/dbraw/zinc/50/72/16/535507216.db2.gz UOAWMUNHMHMTKR-HEHNFIMWSA-N 1 0 437.540 3.553 50 0 IHAARO COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000006287872 536633588 /nfs/dbraw/zinc/63/35/88/536633588.db2.gz QVZAPPZDXUXYLW-XCVCLJGOSA-N 1 0 430.346 3.861 50 0 IHAARO CCc1nn(-c2cccc(C)c2)c(N2CC[NH+](C)CC2)c1CN(CC)Cc1cccn1C ZINC000034836728 555914490 /nfs/dbraw/zinc/91/44/90/555914490.db2.gz CZYSPTXNYILOOU-UHFFFAOYSA-N 1 0 434.632 3.856 50 0 IHAARO C[NH+](C)CCN(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)C1CCCC1 ZINC000034921491 555931871 /nfs/dbraw/zinc/93/18/71/555931871.db2.gz CXHIOKIKEIPVHR-UHFFFAOYSA-N 1 0 448.560 3.674 50 0 IHAARO Cc1cccc(CS(=O)(=O)Cc2ccc(C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)o2)c1 ZINC000002966750 556154479 /nfs/dbraw/zinc/15/44/79/556154479.db2.gz YYQOQGJCGAEDSJ-WOJBJXKFSA-N 1 0 446.613 3.801 50 0 IHAARO CC[C@H](CO)[NH2+]Cc1cc(I)c(OCc2ccccc2)c(OC)c1 ZINC000008437946 556173885 /nfs/dbraw/zinc/17/38/85/556173885.db2.gz WKIMSDPGWMQPSW-MRXNPFEDSA-N 1 0 441.309 3.739 50 0 IHAARO CC[NH+]1CCN(CCCNC(=O)Cn2nc(-c3ccccc3)c3cc(Cl)ccc32)CC1 ZINC000022923771 556341981 /nfs/dbraw/zinc/34/19/81/556341981.db2.gz IYUBXOHJCUBBSQ-UHFFFAOYSA-N 1 0 439.991 3.501 50 0 IHAARO CCc1ccc(C[N@@H+]2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NCCOC)cc1 ZINC000011789755 556355355 /nfs/dbraw/zinc/35/53/55/556355355.db2.gz SBNOIRWOSYBCOG-KNQAVFIVSA-N 1 0 438.597 3.623 50 0 IHAARO CN(Cc1nccn1C)C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000011817322 556359675 /nfs/dbraw/zinc/35/96/75/556359675.db2.gz UIKNSBMLHZQKIO-UHFFFAOYSA-N 1 0 432.568 3.778 50 0 IHAARO C[C@H]([NH2+]CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1cccs1 ZINC000014169652 556380871 /nfs/dbraw/zinc/38/08/71/556380871.db2.gz ITVOIDOZPHEATJ-INIZCTEOSA-N 1 0 429.567 3.863 50 0 IHAARO C[C@@H](Oc1ccccc1)C(=O)NC[C@H]1CCC2(CC[NH+](Cc3ccccc3F)CC2)O1 ZINC000011964774 556381535 /nfs/dbraw/zinc/38/15/35/556381535.db2.gz BHJYHDZBNCPCRF-DENIHFKCSA-N 1 0 426.532 3.923 50 0 IHAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](C3CSCCSC3)CC2)c1 ZINC000012005482 556386779 /nfs/dbraw/zinc/38/67/79/556386779.db2.gz IWFVYIIURZOENP-UHFFFAOYSA-N 1 0 436.643 3.623 50 0 IHAARO CCCn1ncc(C[N@@H+]2CCC[C@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)c1C ZINC000012024651 556387276 /nfs/dbraw/zinc/38/72/76/556387276.db2.gz NNRLVMIAMBUBEK-HXUWFJFHSA-N 1 0 442.604 3.927 50 0 IHAARO COc1cc(=O)n2c(c1C(=O)NCc1ccco1)CC[N@@H+](C[C@H](C)CCC=C(C)C)CC2 ZINC000012053847 556393214 /nfs/dbraw/zinc/39/32/14/556393214.db2.gz SKFACZDQCYOVSO-LJQANCHMSA-N 1 0 441.572 3.621 50 0 IHAARO O=C([C@H]1CC12CC[NH+](Cc1ccc3nsnc3c1)CC2)N1CCN(c2ccccc2)CC1 ZINC000012080223 556398632 /nfs/dbraw/zinc/39/86/32/556398632.db2.gz LXBBQKNQNFLVBX-OAQYLSRUSA-N 1 0 447.608 3.642 50 0 IHAARO CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](Cc1c[nH]c3ccccc13)CC2 ZINC000014536266 556423451 /nfs/dbraw/zinc/42/34/51/556423451.db2.gz OANRBQCXHVSNEX-UHFFFAOYSA-N 1 0 446.551 3.995 50 0 IHAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)N2CCCC2)C[N@H+](Cc2ccc(O)cc2)C1 ZINC000014535957 556423491 /nfs/dbraw/zinc/42/34/91/556423491.db2.gz GCWUWEDTCQRXTC-PKTZIBPZSA-N 1 0 447.579 3.580 50 0 IHAARO COC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2CCc1ccccc1 ZINC000014746396 556441178 /nfs/dbraw/zinc/44/11/78/556441178.db2.gz LXCJTLBVFSXFPN-OAQYLSRUSA-N 1 0 435.568 3.563 50 0 IHAARO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2ccc(OC)c(Cn3cncn3)c2)C1 ZINC000014952766 556461131 /nfs/dbraw/zinc/46/11/31/556461131.db2.gz OMVPDXYGXRGOAM-AREMUKBSSA-N 1 0 448.567 3.723 50 0 IHAARO COC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C(=O)[C@H](OC)c3ccccc3)C2)cc1 ZINC000014957261 556462684 /nfs/dbraw/zinc/46/26/84/556462684.db2.gz SJVYLDOMOSAZMX-TZRRMPRUSA-N 1 0 436.552 3.674 50 0 IHAARO CO[C@@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2cccc3c2OCO3)CC1)c1ccccc1 ZINC000014973274 556467285 /nfs/dbraw/zinc/46/72/85/556467285.db2.gz FPYPKJIMMNNYBL-XMMPIXPASA-N 1 0 448.523 3.775 50 0 IHAARO Cc1ccc(C[NH2+][C@@H]2CCc3c(sc4ncn(Cc5ccccn5)c(=O)c34)C2)cc1F ZINC000014978526 556470017 /nfs/dbraw/zinc/47/00/17/556470017.db2.gz HWIGORGAKNVHPE-QGZVFWFLSA-N 1 0 434.540 3.996 50 0 IHAARO COC(=O)c1ccc(C[NH2+]C2CCN(c3nc(C)c4cc5c(cc4n3)CCC5)CC2)cc1 ZINC000014992936 556475806 /nfs/dbraw/zinc/47/58/06/556475806.db2.gz OJNOZBKRYVCXGW-UHFFFAOYSA-N 1 0 430.552 3.972 50 0 IHAARO Cc1ccc(C[N@@H+](C)C2CCN(c3nc(C)c4ccc(S(C)(=O)=O)cc4n3)CC2)cc1 ZINC000014998754 556479002 /nfs/dbraw/zinc/47/90/02/556479002.db2.gz LZWYTGJQOOIVBO-UHFFFAOYSA-N 1 0 438.597 3.751 50 0 IHAARO Cc1nc(-c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3N3CC[NH+](C)CC3)cc2)co1 ZINC000072287222 556479545 /nfs/dbraw/zinc/47/95/45/556479545.db2.gz LCLXTGLLXXKJRR-UHFFFAOYSA-N 1 0 446.960 3.856 50 0 IHAARO COCCNC(=O)c1ccc(OC2CC[NH+]([C@H](C)Cc3ccc(O)cc3)CC2)c(Cl)c1 ZINC000015076135 556499218 /nfs/dbraw/zinc/49/92/18/556499218.db2.gz NPVNGULFUJIERO-QGZVFWFLSA-N 1 0 446.975 3.896 50 0 IHAARO Cc1cc(=O)oc2cc(OCC(=O)NCCC3CC[NH+](Cc4ccccc4)CC3)ccc12 ZINC000013623820 556536129 /nfs/dbraw/zinc/53/61/29/556536129.db2.gz HRHCWLSPMGKPHE-UHFFFAOYSA-N 1 0 434.536 3.899 50 0 biogenic IHAARO O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000013676959 556554838 /nfs/dbraw/zinc/55/48/38/556554838.db2.gz MWTSNPVUEGJDNL-UHFFFAOYSA-N 1 0 427.570 3.709 50 0 IHAARO CC(C)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]21 ZINC000016012574 556574232 /nfs/dbraw/zinc/57/42/32/556574232.db2.gz AUHXIBMFMKPKAK-ORGXJRBJSA-N 1 0 444.318 3.574 50 0 IHAARO Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)NC[C@H](C)[NH+]3CCC(C)CC3)c2)c1 ZINC000060156563 556625451 /nfs/dbraw/zinc/62/54/51/556625451.db2.gz BSMWRQOIBUXZLF-FQEVSTJZSA-N 1 0 443.613 3.954 50 0 IHAARO C[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C(=O)CNC(=O)/C=C/c2cccc(Cl)c2)CC1 ZINC000005057780 556628017 /nfs/dbraw/zinc/62/80/17/556628017.db2.gz HFXXTNQBBOELEE-HBURNHKCSA-N 1 0 432.008 3.971 50 0 IHAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)[nH+]1 ZINC000017012448 556652769 /nfs/dbraw/zinc/65/27/69/556652769.db2.gz LCXWIGXTPQQPHH-UHFFFAOYSA-N 1 0 433.478 3.757 50 0 IHAARO CCOC(=O)c1c(NC(=O)C[n+]2cc(-c3ccccc3)n3c2CCC3)sc2c1CCC2 ZINC000017015309 556653048 /nfs/dbraw/zinc/65/30/48/556653048.db2.gz DKROHEADWGUZSC-UHFFFAOYSA-O 1 0 436.557 3.754 50 0 IHAARO Cc1cc2nc(C)c(=O)n(Cc3ccc(C(=O)NCCC[NH+]4CCCCC4)cc3)c2cc1C ZINC000033006077 556655255 /nfs/dbraw/zinc/65/52/55/556655255.db2.gz HVCQACIHVCKCFT-UHFFFAOYSA-N 1 0 446.595 3.976 50 0 IHAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc(CN3C(=O)CSc4ncccc43)cc2)C1 ZINC000032932248 556677220 /nfs/dbraw/zinc/67/72/20/556677220.db2.gz QCFINDDJLQFJJT-GOSISDBHSA-N 1 0 438.597 3.572 50 0 IHAARO COC(=O)c1csc(N2[NH2+]C3=C(C[C@@H](c4ccccc4)CC3)[C@]2(O)C(F)(F)F)n1 ZINC000247811281 556686116 /nfs/dbraw/zinc/68/61/16/556686116.db2.gz CRGDPZWFEPSJKV-JCGVRSQUSA-N 1 0 425.432 3.941 50 0 IHAARO COc1ccc(CCC2CC[NH+]([C@H]3CC(=O)N(c4ccc(C)cc4)C3=O)CC2)c(OC)c1 ZINC000018220129 556687673 /nfs/dbraw/zinc/68/76/73/556687673.db2.gz MCAGIJSYMKBQQQ-QHCPKHFHSA-N 1 0 436.552 3.989 50 0 IHAARO Cc1cc(Br)ccc1NC(=O)CC[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000252478909 556689947 /nfs/dbraw/zinc/68/99/47/556689947.db2.gz AXDJJZAGLQFOHO-AWEZNQCLSA-N 1 0 440.382 3.931 50 0 IHAARO C[N@H+](C1CCCC1)C1CCN(C(=O)CNC(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 ZINC000013574591 556698276 /nfs/dbraw/zinc/69/82/76/556698276.db2.gz DRDRZVLQHBFMSV-MDZDMXLPSA-N 1 0 437.506 3.700 50 0 IHAARO COc1cc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)ccc1F ZINC000019148334 556707276 /nfs/dbraw/zinc/70/72/76/556707276.db2.gz LIKORLGPJMAEIR-HXUWFJFHSA-N 1 0 440.563 3.570 50 0 IHAARO CC[N@@H+]1CCC[C@@H](CN(C)Cc2cnc(S(=O)(=O)CC(C)C)n2Cc2ccccc2)C1 ZINC000019227951 556717328 /nfs/dbraw/zinc/71/73/28/556717328.db2.gz LQHYUFCHWIIQLZ-QFIPXVFZSA-N 1 0 446.661 3.525 50 0 IHAARO CCOc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NCC[NH+](C)C)c3)C2)cc1 ZINC000033035088 556717768 /nfs/dbraw/zinc/71/77/68/556717768.db2.gz XIWNMJVTDAPNON-OAQYLSRUSA-N 1 0 438.572 3.788 50 0 IHAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(Cc3ccc4nsnc4c3)C2)cc1OC ZINC000019229056 556717819 /nfs/dbraw/zinc/71/78/19/556717819.db2.gz FXVIYYJFVAAEHL-IBGZPJMESA-N 1 0 426.586 3.847 50 0 IHAARO Cc1nc2ccccc2n1CCC(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000055310549 556740173 /nfs/dbraw/zinc/74/01/73/556740173.db2.gz KZKKXIJAPPAMKB-HSZRJFAPSA-N 1 0 431.584 3.548 50 0 IHAARO O=S(=O)(CC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccccc1 ZINC000057993499 556751430 /nfs/dbraw/zinc/75/14/30/556751430.db2.gz TVEYDMIUFMITQL-UHFFFAOYSA-N 1 0 432.549 3.557 50 0 IHAARO COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000058167933 556767323 /nfs/dbraw/zinc/76/73/23/556767323.db2.gz IYEMUYOUHJAGCQ-NKSQBSFPSA-N 1 0 449.595 3.906 50 0 IHAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)Nc3cccc(OCc4cccnc4)c3)cn2)CC1 ZINC000058210968 556772239 /nfs/dbraw/zinc/77/22/39/556772239.db2.gz OBKGIFKNMKJWFD-UHFFFAOYSA-N 1 0 446.555 3.519 50 0 IHAARO COc1cc(Cl)ccc1C(=O)N1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000060136222 556806961 /nfs/dbraw/zinc/80/69/61/556806961.db2.gz WNHQDAGFLYNPDB-UHFFFAOYSA-N 1 0 446.960 3.851 50 0 IHAARO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)C3CCN(c4nc5ccccc5[nH]4)CC3)C2)cc1 ZINC000033071072 556851449 /nfs/dbraw/zinc/85/14/49/556851449.db2.gz KXKMWYUJPAOCDQ-OAQYLSRUSA-N 1 0 431.584 3.726 50 0 IHAARO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)C1CCN(c2nc3ccccc3[nH]2)CC1 ZINC000033071083 556851598 /nfs/dbraw/zinc/85/15/98/556851598.db2.gz RPNUMANZDBHTTE-UHFFFAOYSA-N 1 0 449.574 3.947 50 0 IHAARO COCC[N@@H+]1CCc2nc(SCc3nc(-c4ccc(C)cc4)oc3C)[nH]c(=O)c2C1 ZINC000033141644 556878030 /nfs/dbraw/zinc/87/80/30/556878030.db2.gz OXWLXXOVGGRUMW-UHFFFAOYSA-N 1 0 426.542 3.751 50 0 IHAARO CC(C)C[NH+](CCCNC(=O)CN1N=C(c2ccc(Cl)cc2)CCC1=O)CC(C)C ZINC000004687645 556880799 /nfs/dbraw/zinc/88/07/99/556880799.db2.gz LAZYDYIOIRRDSG-UHFFFAOYSA-N 1 0 435.012 3.787 50 0 IHAARO CN1CC[NH+](CCn2c(-c3ccc(Br)cc3)cn3c4ccccc4nc32)CC1 ZINC000019771581 556913109 /nfs/dbraw/zinc/91/31/09/556913109.db2.gz SYTSXUJHJJUHSR-UHFFFAOYSA-N 1 0 438.373 3.966 50 0 IHAARO CC[NH+]1CCN(c2ccc(-n3c(C)nc4c(cnn4-c4ccc(Cl)cc4)c3=O)cc2)CC1 ZINC000019908719 556942731 /nfs/dbraw/zinc/94/27/31/556942731.db2.gz YBTVWKPJAIOOMS-UHFFFAOYSA-N 1 0 448.958 3.675 50 0 IHAARO COc1ccc(Cl)cc1N1C(=O)[C@@H]2C[C@H]1CN2C1CC[NH+](Cc2ccccc2)CC1 ZINC000019953345 556954526 /nfs/dbraw/zinc/95/45/26/556954526.db2.gz QONXOSUTTMNJNE-UNMCSNQZSA-N 1 0 425.960 3.803 50 0 IHAARO CCc1nc(C)c(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)[nH]1 ZINC000020137986 556988710 /nfs/dbraw/zinc/98/87/10/556988710.db2.gz NZWCKIYRPBXMNP-QHCPKHFHSA-N 1 0 437.632 3.617 50 0 IHAARO CS[C@H]1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000097163900 556994270 /nfs/dbraw/zinc/99/42/70/556994270.db2.gz OUBHMPWIIJGZJR-KBPBESRZSA-N 1 0 428.929 3.559 50 0 IHAARO CC[NH+](CC)CCN(C(=O)[C@@H]1COc2ccccc2O1)c1nc2c(cccc2F)s1 ZINC000013958416 557015711 /nfs/dbraw/zinc/01/57/11/557015711.db2.gz VNRWBEKIXCUCCK-SFHVURJKSA-N 1 0 429.517 3.950 50 0 IHAARO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000048249484 557048752 /nfs/dbraw/zinc/04/87/52/557048752.db2.gz MEMQQBUOSZAGAU-DVECYGJZSA-N 1 0 442.003 3.883 50 0 IHAARO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCC1(N2CC[NH+](C)CC2)CCCCC1 ZINC000022935617 557052362 /nfs/dbraw/zinc/05/23/62/557052362.db2.gz SGZFTMDJOYVVIA-UHFFFAOYSA-N 1 0 430.593 3.938 50 0 IHAARO COc1cccc(-c2nc(C)c(C(=O)NCC3(N4CC[NH+](C)CC4)CCCCC3)s2)c1 ZINC000022935599 557052412 /nfs/dbraw/zinc/05/24/12/557052412.db2.gz LEQVGWYNWCFSJR-UHFFFAOYSA-N 1 0 442.629 3.807 50 0 IHAARO CCC[NH+]1CCN(CC(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)OC)CC1 ZINC000023477228 557093829 /nfs/dbraw/zinc/09/38/29/557093829.db2.gz LPCKJVPGUBXEDW-UHFFFAOYSA-N 1 0 435.977 3.821 50 0 IHAARO CC[N@@H+]1CCc2nc(-c3ccccc3)n(CC(=O)Nc3c(C)cc(C)cc3C)c(=O)c2C1 ZINC000049400664 557096379 /nfs/dbraw/zinc/09/63/79/557096379.db2.gz SVFVGJUSQIWYPO-UHFFFAOYSA-N 1 0 430.552 3.852 50 0 IHAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)c1cccc(OC)c1 ZINC000010917310 557099032 /nfs/dbraw/zinc/09/90/32/557099032.db2.gz NZJGXYXQCUXSCC-QRWLVFNGSA-N 1 0 427.570 3.941 50 0 IHAARO C[C@@H](NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000024572646 557151373 /nfs/dbraw/zinc/15/13/73/557151373.db2.gz QWEPIRRBZOQCGP-AMGIVPHBSA-N 1 0 435.612 3.519 50 0 IHAARO COc1ccc([C@@H](CNC(=O)CSc2nnc(NC3CC3)s2)[NH+]2CCCCC2)cc1 ZINC000024889994 557176999 /nfs/dbraw/zinc/17/69/99/557176999.db2.gz AZEPZOSBIVBNCE-GOSISDBHSA-N 1 0 447.630 3.557 50 0 IHAARO Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCCC[NH+]3C[C@@H](C)O[C@H](C)C3)cc12 ZINC000024968848 557183341 /nfs/dbraw/zinc/18/33/41/557183341.db2.gz RPIQMTJEHMQGKP-HZPDHXFCSA-N 1 0 444.576 3.823 50 0 IHAARO C[C@H]([NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc2ccccc21 ZINC000014141744 557310466 /nfs/dbraw/zinc/31/04/66/557310466.db2.gz GXRQFDHUHNTKTD-SFHVURJKSA-N 1 0 437.565 3.914 50 0 IHAARO O=C1C[C@H](N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000100113792 557314599 /nfs/dbraw/zinc/31/45/99/557314599.db2.gz DBEPJJYQQWIPPP-MHZGPWMTSA-N 1 0 427.976 3.558 50 0 IHAARO O[C@@H](COCc1ccc2c(c1)OCO2)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000023410216 557353129 /nfs/dbraw/zinc/35/31/29/557353129.db2.gz RDKURRUGTRYWHQ-GOSISDBHSA-N 1 0 426.538 3.782 50 0 IHAARO O[C@H](COCc1ccc2c(c1)OCO2)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000023410219 557353139 /nfs/dbraw/zinc/35/31/39/557353139.db2.gz RDKURRUGTRYWHQ-SFHVURJKSA-N 1 0 426.538 3.782 50 0 IHAARO Cc1oc(-c2ccc(C)cc2)nc1C[S@@](=O)CC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000103031046 557416035 /nfs/dbraw/zinc/41/60/35/557416035.db2.gz OEVNUWITNDTCCO-SAFKIGCLSA-N 1 0 445.629 3.691 50 0 aggregator IHAARO O[C@@H](COCc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000104659669 557457287 /nfs/dbraw/zinc/45/72/87/557457287.db2.gz VEXOBJRUMPTMPY-ZWKOTPCHSA-N 1 0 426.538 3.782 50 0 IHAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@H](C)O ZINC000105004619 557471382 /nfs/dbraw/zinc/47/13/82/557471382.db2.gz HOPWGRLGVUXMSR-PZJWPPBQSA-N 1 0 430.614 3.963 50 0 IHAARO COc1cc(C[N@@H+](Cc2cc(=O)n3ccc(C)cc3n2)CC(C)C)cc(OC)c1OC ZINC000045974099 557556053 /nfs/dbraw/zinc/55/60/53/557556053.db2.gz ZTVRJTZEYJUZJX-UHFFFAOYSA-N 1 0 425.529 3.687 50 0 IHAARO O=C(C1=C2C(O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2[C@@H]2CCCN12)c1ccccc1 ZINC000229886573 557833719 /nfs/dbraw/zinc/83/37/19/557833719.db2.gz FLDJJCYEBBLJOE-OKYOBFRVSA-N 1 0 428.410 3.541 50 0 IHAARO CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCC[N@H+](C)CC3)c2)cc1 ZINC000003306194 562933981 /nfs/dbraw/zinc/93/39/81/562933981.db2.gz JBSSYUKFGUVSKB-UHFFFAOYSA-N 1 0 429.586 3.608 50 0 IHAARO O=c1c2cc(NC(=S)N3CCC([NH+]4CCCCC4)CC3)ccc2nc2n1CCCCC2 ZINC000003646018 562937303 /nfs/dbraw/zinc/93/73/03/562937303.db2.gz JRLJTCGZGNWSKJ-UHFFFAOYSA-N 1 0 439.629 3.770 50 0 IHAARO COC(=O)CCNC(=O)N[C@H](CCC(C)C)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000008590223 562951587 /nfs/dbraw/zinc/95/15/87/562951587.db2.gz KDFLEWJMZHMFJF-GOSISDBHSA-N 1 0 446.617 3.866 50 0 IHAARO Cc1ccc2c(c1)N(CC(=O)NCCC[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)c1cccnc1O2 ZINC000009151475 562967837 /nfs/dbraw/zinc/96/78/37/562967837.db2.gz MCFSAZATPUZICJ-OALUTQOASA-N 1 0 436.556 3.912 50 0 IHAARO Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000011666605 562978930 /nfs/dbraw/zinc/97/89/30/562978930.db2.gz LCCCQUBMKYMCSE-SFHVURJKSA-N 1 0 447.583 3.966 50 0 IHAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[S@@](=O)CC(=O)NCC[NH+]1CCCCCC1 ZINC000015944432 563020256 /nfs/dbraw/zinc/02/02/56/563020256.db2.gz GVUGEKWJLJBSME-LJAQVGFWSA-N 1 0 437.993 3.544 50 0 IHAARO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+](C)[C@H]2CCCc3ccccc32)ccc1Cl ZINC000018935279 568627399 /nfs/dbraw/zinc/62/73/99/568627399.db2.gz HNARBPHPTVNIDX-IBGZPJMESA-N 1 0 435.977 3.538 50 0 IHAARO C[NH+](C)[C@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccsc1 ZINC000025330835 568652535 /nfs/dbraw/zinc/65/25/35/568652535.db2.gz QSEULKAGVXIUQB-QGZVFWFLSA-N 1 0 426.508 3.797 50 0 IHAARO COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1 ZINC000025386810 568655835 /nfs/dbraw/zinc/65/58/35/568655835.db2.gz PPVBNRDZNHCFMM-HSZRJFAPSA-N 1 0 435.491 3.994 50 0 IHAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccccc2)cc1 ZINC000211064775 568662802 /nfs/dbraw/zinc/66/28/02/568662802.db2.gz ZVDVESTWESFXFW-GDNBJRDFSA-N 1 0 425.554 3.712 50 0 IHAARO COc1cc(/C=C/C(=O)NCC2CC[NH+](Cc3cc(C)oc3C)CC2)cc(OC)c1OC ZINC000043972909 568744776 /nfs/dbraw/zinc/74/47/76/568744776.db2.gz SWBBLELJGSMPNS-VOTSOKGWSA-N 1 0 442.556 3.964 50 0 IHAARO C[NH+](C)CCNC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1Cl ZINC000083851102 568783202 /nfs/dbraw/zinc/78/32/02/568783202.db2.gz OOZPQUMWZLLMRA-UHFFFAOYSA-N 1 0 444.746 3.956 50 0 IHAARO C[C@@H](C(=O)NCC1CC[NH+](Cc2cccc(Cl)c2)CC1)N1Cc2ccccc2C1=O ZINC000015679156 568805585 /nfs/dbraw/zinc/80/55/85/568805585.db2.gz ZWBAJXNTQUQSFC-KRWDZBQOSA-N 1 0 425.960 3.713 50 0 IHAARO CC(C)C[NH+](CCCNC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1)CC(C)C ZINC000015679192 568805652 /nfs/dbraw/zinc/80/56/52/568805652.db2.gz UQEPTHNTPITPEK-UHFFFAOYSA-N 1 0 445.560 3.707 50 0 IHAARO CCn1c2ccc(F)cc2c(N2CCCC2=O)c1C(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000015681873 568806908 /nfs/dbraw/zinc/80/69/08/568806908.db2.gz OKWQEDIIQUXJQX-QGZVFWFLSA-N 1 0 428.552 3.779 50 0 IHAARO C[NH+](C)CCN(Cc1ccco1)C(=O)C1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000015734904 568816528 /nfs/dbraw/zinc/81/65/28/568816528.db2.gz XBCPLLNOJOXEOA-UHFFFAOYSA-N 1 0 439.585 3.605 50 0 IHAARO COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)NCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000015772906 568823023 /nfs/dbraw/zinc/82/30/23/568823023.db2.gz VBDFUMMLXBXOHG-UHFFFAOYSA-N 1 0 444.579 3.868 50 0 IHAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(NC(=O)c2cccnc2Cl)cc1 ZINC000085876294 568837966 /nfs/dbraw/zinc/83/79/66/568837966.db2.gz QXZWCLRZMSZBRE-FXAWDEMLSA-N 1 0 426.948 3.982 50 0 biogenic IHAARO COC(=O)Cc1ccc(NC(=S)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC000015890180 568858245 /nfs/dbraw/zinc/85/82/45/568858245.db2.gz HTFIDJSGQLUDQV-LNGMVNIQSA-N 1 0 439.625 3.994 50 0 biogenic IHAARO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N(C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000229754024 568886834 /nfs/dbraw/zinc/88/68/34/568886834.db2.gz GEOGMSHZSONSMG-DRMAHVMPSA-N 1 0 427.511 3.740 50 0 IHAARO C[N@@H+]1CC[C@@H]2CCN(c3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c43)[C@H]2C1 ZINC000241588188 568912290 /nfs/dbraw/zinc/91/22/90/568912290.db2.gz PAONISKTPOCKSH-CTNGQTDRSA-N 1 0 449.624 3.721 50 0 IHAARO COc1ccc(N(C[C@H](O)C[NH+](CC(C)C)CC(C)C)S(=O)(=O)c2ccccc2)cc1 ZINC000001834072 568916147 /nfs/dbraw/zinc/91/61/47/568916147.db2.gz AJLVQLUPJMYMMW-JOCHJYFZSA-N 1 0 448.629 3.865 50 0 IHAARO CC(C)c1ccc(Oc2cnn(C)c(=O)c2Nc2cccc(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000036073169 568945727 /nfs/dbraw/zinc/94/57/27/568945727.db2.gz YLPCXYXZABLPRI-UHFFFAOYSA-N 1 0 449.555 3.731 50 0 IHAARO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146112 568962231 /nfs/dbraw/zinc/96/22/31/568962231.db2.gz HCDJKGOWGZPUDZ-YADHBBJMSA-N 1 0 446.494 3.664 50 0 IHAARO C[N@H+](CCCNC(=O)CC1CCN(C(=O)NC2CCCCC2)CC1)Cc1ccccc1 ZINC000064847034 568972245 /nfs/dbraw/zinc/97/22/45/568972245.db2.gz WLSCIEIOEZDNHM-UHFFFAOYSA-N 1 0 428.621 3.769 50 0 IHAARO Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@H+](CC(C)C)C[C@@H](C)O)cc1 ZINC000036309099 568995929 /nfs/dbraw/zinc/99/59/29/568995929.db2.gz HMZJFQLWXTXEFW-DENIHFKCSA-N 1 0 430.614 3.900 50 0 IHAARO CCCCN(Cc1ccco1)C(=O)c1sc2ncnc(N3CC[NH+](C)CC3)c2c1C ZINC000064957324 568999428 /nfs/dbraw/zinc/99/94/28/568999428.db2.gz XXNKWWUYAXESMG-UHFFFAOYSA-N 1 0 427.574 3.787 50 0 IHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3cccc(OC)c3)C[C@@H]2c2cc(C)ccc2C)CC1 ZINC000036344575 569080276 /nfs/dbraw/zinc/08/02/76/569080276.db2.gz XQMPHNIDQVJDKI-RUZDIDTESA-N 1 0 434.584 3.627 50 0 IHAARO Cc1cccc(C2N=NC(=S)N2CCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000036389640 569096528 /nfs/dbraw/zinc/09/65/28/569096528.db2.gz LVRKTELGGFKQHW-UHFFFAOYSA-N 1 0 435.597 3.713 50 0 IHAARO Cc1ccc(N2CCN(C(=O)c3ccnc(N4CC[NH2+][C@@H](c5ccccc5)C4)c3)CC2)cc1 ZINC000065255986 569123076 /nfs/dbraw/zinc/12/30/76/569123076.db2.gz SYTKCATZDDASBQ-RUZDIDTESA-N 1 0 441.579 3.503 50 0 IHAARO CCn1cc(C(=O)Nc2cccc(OCC[NH+]3CCCCC3)c2)c(=O)c2ccc(C)nc21 ZINC000524734599 569127705 /nfs/dbraw/zinc/12/77/05/569127705.db2.gz UMAGSEZVWRYOHD-UHFFFAOYSA-N 1 0 434.540 3.842 50 0 IHAARO COc1ccc2c(C)c(CCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c(=O)oc2c1C ZINC000170613381 569146268 /nfs/dbraw/zinc/14/62/68/569146268.db2.gz BNENPFSHOGSPLL-RXVVDRJESA-N 1 0 426.557 3.732 50 0 IHAARO O=C1[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CCN1c1ccccc1F ZINC000170626137 569148634 /nfs/dbraw/zinc/14/86/34/569148634.db2.gz ZMFRJYUECVPTSV-INIZCTEOSA-N 1 0 435.293 3.645 50 0 IHAARO COc1cn(CC(=O)Nc2cccc(C(F)(F)F)c2)c(C[NH+]2CCCCCC2)cc1=O ZINC000016974483 569168694 /nfs/dbraw/zinc/16/86/94/569168694.db2.gz UTGJHXQUOZZEKZ-UHFFFAOYSA-N 1 0 437.462 3.890 50 0 IHAARO Nc1c2c(nn1Cc1ccccc1)nc(NCC[NH+]1CCCC1)nc2-c1ccccc1F ZINC000037358813 569176741 /nfs/dbraw/zinc/17/67/41/569176741.db2.gz BZLVWVBBOHTRDJ-UHFFFAOYSA-N 1 0 431.519 3.771 50 0 IHAARO COc1ccc(-n2nc3nc(NCC[NH+](C)C)nc(-c4cccc(Cl)c4)c3c2N)cc1 ZINC000037359478 569177273 /nfs/dbraw/zinc/17/72/73/569177273.db2.gz JFRQDYPXFJEMPO-UHFFFAOYSA-N 1 0 437.935 3.700 50 0 IHAARO CC(C)CN1CC[NH+]([C@H]2CCOC3(CCN(C(=O)C4(c5ccccc5)CC4)CC3)C2)CC1 ZINC000581820181 569211727 /nfs/dbraw/zinc/21/17/27/569211727.db2.gz WUFWWKGYBMJTRL-DEOSSOPVSA-N 1 0 439.644 3.532 50 0 IHAARO CC[C@@H]1NC(=O)N(c2cccc(NC(=O)N3CCC[N@H+](Cc4ccccc4)C[C@H]3C)c2)C1=O ZINC000253424933 569267046 /nfs/dbraw/zinc/26/70/46/569267046.db2.gz MOGROSRKMWZGFN-GCJKJVERSA-N 1 0 449.555 3.650 50 0 IHAARO CC[NH+]1CCN(c2nc3ccccc3nc2Nc2sc(C)c(C)c2C(=O)OC)CC1 ZINC000002320919 569274033 /nfs/dbraw/zinc/27/40/33/569274033.db2.gz YTWRZWIYGUUBIU-UHFFFAOYSA-N 1 0 425.558 3.980 50 0 IHAARO Cc1ccc(-n2ncc(C(=O)NCCCC[NH+]3C[C@H](C)O[C@@H](C)C3)c2C(F)(F)F)cc1 ZINC000079050786 569323374 /nfs/dbraw/zinc/32/33/74/569323374.db2.gz BEPVHIQTVICKTK-IRXDYDNUSA-N 1 0 438.494 3.819 50 0 IHAARO CC1(C)CN(C(=O)CCNC(=O)c2ccc(F)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000095351033 569361982 /nfs/dbraw/zinc/36/19/82/569361982.db2.gz SARGJSYKQCZBPX-UHFFFAOYSA-N 1 0 431.939 3.722 50 0 IHAARO C[C@]1(COC(=O)C2CCN(C(=O)N3CCCC3)CC2)CCCC[N@@H+]1Cc1ccccc1 ZINC000095469302 569371527 /nfs/dbraw/zinc/37/15/27/569371527.db2.gz BEGDECRVIJSMPU-RUZDIDTESA-N 1 0 427.589 3.902 50 0 IHAARO COc1cc2cc(C(=O)NC3CC[NH+](Cc4ccc(F)cc4)CC3)n(C)c2cc1OC ZINC000096117069 569383927 /nfs/dbraw/zinc/38/39/27/569383927.db2.gz FNBCZBDUPLJIIX-UHFFFAOYSA-N 1 0 425.504 3.729 50 0 IHAARO O=C(C[C@H]1COc2cc(F)ccc2N1Cc1ccccc1)NCCC[NH+]1CCCCC1 ZINC000096322995 569394984 /nfs/dbraw/zinc/39/49/84/569394984.db2.gz YHUZOIOSWDVWFE-QFIPXVFZSA-N 1 0 425.548 3.976 50 0 IHAARO Cc1ccc(Nc2nc(C(=O)NCCCN3CC[NH+](C)CC3)cc3occc32)cc1Cl ZINC000096323716 569395370 /nfs/dbraw/zinc/39/53/70/569395370.db2.gz WABNZQRNXVSBHR-UHFFFAOYSA-N 1 0 441.963 3.901 50 0 IHAARO CC[NH+]1CCN(c2ccc(NC(=O)N3CCN(Cc4cccs4)CC3)cc2C)CC1 ZINC000057866384 569442163 /nfs/dbraw/zinc/44/21/63/569442163.db2.gz DPPDHEZPPUCWRG-UHFFFAOYSA-N 1 0 427.618 3.548 50 0 IHAARO CCCS(=O)(=O)Nc1cccc(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](CC)CC)c1 ZINC000032314469 569461198 /nfs/dbraw/zinc/46/11/98/569461198.db2.gz CRSWTQFIFYLLLH-JOCHJYFZSA-N 1 0 447.601 3.660 50 0 IHAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000008749931 569473328 /nfs/dbraw/zinc/47/33/28/569473328.db2.gz ATBCIMUXDAZQPU-DEOSSOPVSA-N 1 0 437.547 3.998 50 0 IHAARO C[C@@H]1CN(S(=O)(=O)CC[NH2+]Cc2ccc(-c3ccccc3Cl)s2)C[C@H](C)O1 ZINC000040153281 569493550 /nfs/dbraw/zinc/49/35/50/569493550.db2.gz XIKBUJVEMHEGKR-GASCZTMLSA-N 1 0 429.007 3.597 50 0 IHAARO COc1ccc(CC[NH2+]Cc2csc(CC(=O)Nc3ccccc3C)n2)cc1OC ZINC000040461103 569506568 /nfs/dbraw/zinc/50/65/68/569506568.db2.gz QIFDCPRXMSXMOR-UHFFFAOYSA-N 1 0 425.554 3.982 50 0 IHAARO CC[NH+](CC)CCCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(C)[nH]c2ccccc21 ZINC000009226965 569513335 /nfs/dbraw/zinc/51/33/35/569513335.db2.gz SELGGXLBTWGHFD-RUZDIDTESA-N 1 0 432.568 3.870 50 0 IHAARO COc1cc(C)cc2oc(=O)c(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(C)c12 ZINC000009252624 569516028 /nfs/dbraw/zinc/51/60/28/569516028.db2.gz ZYAGRKPXZKBNLE-UHFFFAOYSA-N 1 0 434.536 3.742 50 0 IHAARO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000009268828 569517588 /nfs/dbraw/zinc/51/75/88/569517588.db2.gz XURBNRNFSAWPHB-UHFFFAOYSA-N 1 0 449.476 3.767 50 0 IHAARO Cc1c(C(=O)NCC(F)(F)F)nnn1-c1cccc2c1CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000069779987 569517753 /nfs/dbraw/zinc/51/77/53/569517753.db2.gz SHURCVBORHCLQD-UHFFFAOYSA-N 1 0 447.436 3.565 50 0 IHAARO COc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CC[NH+](C)C)c1OC ZINC000009328271 569522798 /nfs/dbraw/zinc/52/27/98/569522798.db2.gz AZBHQIPGGRZSII-OAQYLSRUSA-N 1 0 436.508 3.534 50 0 IHAARO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000009498568 569541375 /nfs/dbraw/zinc/54/13/75/569541375.db2.gz WFAMEJVXXNEJOG-XVIHEJCXSA-N 1 0 449.938 3.696 50 0 IHAARO CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCC[N@H+](C(C)C)C1CCCCC1 ZINC000009528473 569544714 /nfs/dbraw/zinc/54/47/14/569544714.db2.gz GRNHZENDVFZMHJ-FQEVSTJZSA-N 1 0 443.679 3.600 50 0 IHAARO O=C(Cn1ncc2c1-c1ccccc1OC2)NCCC[N@H+](Cc1ccco1)C1CCCC1 ZINC000009777085 569567115 /nfs/dbraw/zinc/56/71/15/569567115.db2.gz OLBDWXPGPJCPPS-UHFFFAOYSA-N 1 0 434.540 3.987 50 0 IHAARO O=C(Cc1csc(NC(=O)c2ccccc2)n1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000010134699 569578080 /nfs/dbraw/zinc/57/80/80/569578080.db2.gz HBVSLAIUEMFGPA-UHFFFAOYSA-N 1 0 434.565 3.850 50 0 IHAARO COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2cccc3ccccc32)[NH+]2CCCC2)c1 ZINC000010335672 569581065 /nfs/dbraw/zinc/58/10/65/569581065.db2.gz HHNHJTKNMSBRRH-QFIPXVFZSA-N 1 0 440.565 3.972 50 0 IHAARO Cc1nn(C)c2nc(C)cc(C(=O)Nc3nc4ccccc4n3CC[NH+]3CCCCC3)c12 ZINC000036616994 569584991 /nfs/dbraw/zinc/58/49/91/569584991.db2.gz LNRYTLOBCBCOTG-UHFFFAOYSA-N 1 0 431.544 3.673 50 0 IHAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](CC(C)C)NC(=O)c3ccccc3C)cc2)CC1 ZINC000009339100 132313980 /nfs/dbraw/zinc/31/39/80/132313980.db2.gz XDPQKURQVZXZTQ-XMMPIXPASA-N 1 0 436.600 3.920 50 0 IHAARO Clc1ccc(Cn2ncc3c2ncnc3N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000009762942 132328490 /nfs/dbraw/zinc/32/84/90/132328490.db2.gz LXOGWQSLJQCMLU-UHFFFAOYSA-N 1 0 432.959 3.893 50 0 IHAARO CCOC(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)COc2ccc(CC)cc2)c1 ZINC000009908035 132331580 /nfs/dbraw/zinc/33/15/80/132331580.db2.gz JREAICCCPNGHJW-UHFFFAOYSA-N 1 0 439.556 3.585 50 0 IHAARO CCCC[N@H+](CC)CCCNC(=O)C1CCN(c2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000020488492 520476365 /nfs/dbraw/zinc/47/63/65/520476365.db2.gz ACGUHEPOABABKG-UHFFFAOYSA-N 1 0 443.592 3.590 50 0 IHAARO CCOC(=O)C1C(C[N@@H+]2CC[C@H](c3ccc(C)cc3)C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000020530950 520516378 /nfs/dbraw/zinc/51/63/78/520516378.db2.gz JQWZHDIXPODQQK-GBXCKJPGSA-N 1 0 449.551 3.664 50 0 IHAARO CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)NCCN3CC[NH+](CC)CC3)cc21 ZINC000032986725 520612224 /nfs/dbraw/zinc/61/22/24/520612224.db2.gz GVHIMGWATGLGOH-UHFFFAOYSA-N 1 0 446.595 3.976 50 0 IHAARO CC[NH+](CC)C[C@@H](O)COc1cc(CN(C)Cc2nc3ccccc3o2)ccc1OC ZINC000012594947 520723370 /nfs/dbraw/zinc/72/33/70/520723370.db2.gz FQYFHTXPKUUCLB-LJQANCHMSA-N 1 0 427.545 3.550 50 0 IHAARO CCCn1c(CN2CC[NH+](CC)CC2)nc2cc(NC(=O)COc3ccccc3C)ccc21 ZINC000020678073 521629475 /nfs/dbraw/zinc/62/94/75/521629475.db2.gz XVDPUOSUOVEBJM-UHFFFAOYSA-N 1 0 449.599 3.910 50 0 IHAARO COc1cc(C(=O)N(C)CCc2cnn(C)c2)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000012585311 522054414 /nfs/dbraw/zinc/05/44/14/522054414.db2.gz CFTZVUSEBMWWFJ-UHFFFAOYSA-N 1 0 440.588 3.529 50 0 IHAARO CCc1[nH]nc(C(=O)N(C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)c1C ZINC000012447077 522132332 /nfs/dbraw/zinc/13/23/32/522132332.db2.gz ROCVGNDDDIGUHM-OAQYLSRUSA-N 1 0 442.579 3.953 50 0 IHAARO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000012569437 522415273 /nfs/dbraw/zinc/41/52/73/522415273.db2.gz SQROFOUDLLPGNC-UHFFFAOYSA-N 1 0 436.965 3.699 50 0 IHAARO COC(=O)c1sc(NC(=O)CC[NH2+][C@@H](C)c2cccc(Cl)c2)c(C(=O)OC)c1C ZINC000012864242 522426513 /nfs/dbraw/zinc/42/65/13/522426513.db2.gz HSJLCNFKYZTKAS-LBPRGKRZSA-N 1 0 438.933 3.963 50 0 IHAARO CC[C@@H](O)C[N@H+](CCN1CCOCC1)Cc1cccn1Cc1ccc(C(C)(C)C)cc1 ZINC000022584473 522989448 /nfs/dbraw/zinc/98/94/48/522989448.db2.gz SDRSPBVQGDOULT-RUZDIDTESA-N 1 0 427.633 3.739 50 0 IHAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+](C)C[C@H]2COCCO2)cc1F ZINC000012430548 523245119 /nfs/dbraw/zinc/24/51/19/523245119.db2.gz KSWBXIXIVUNVSZ-FQEVSTJZSA-N 1 0 425.504 3.843 50 0 IHAARO CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012326957 523356618 /nfs/dbraw/zinc/35/66/18/523356618.db2.gz WHTFOQQOUHODFZ-SFHVURJKSA-N 1 0 444.373 3.758 50 0 IHAARO CCn1ccnc1CN(C)C(=O)c1cc(C)ccc1OC1CC[NH+](Cc2ccncc2)CC1 ZINC000012445960 523525673 /nfs/dbraw/zinc/52/56/73/523525673.db2.gz YOUIVODOFJTIJC-UHFFFAOYSA-N 1 0 447.583 3.922 50 0 IHAARO CN1CCC([NH+]2CCC(Oc3cccc(C(=O)N4CCc5ccccc5C4)c3)CC2)CC1 ZINC000012430778 523766913 /nfs/dbraw/zinc/76/69/13/523766913.db2.gz YVPXZVSZWYNCNL-UHFFFAOYSA-N 1 0 433.596 3.823 50 0 IHAARO C[NH+]1CCN(CCC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2cc(F)ccc2F)CC1 ZINC000020451059 523894447 /nfs/dbraw/zinc/89/44/47/523894447.db2.gz NCSZTFDVIHZGRG-RUZDIDTESA-N 1 0 438.522 3.558 50 0 IHAARO C[NH+]1CCN([C@H](CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)c2ccsc2)CC1 ZINC000022767217 523921128 /nfs/dbraw/zinc/92/11/28/523921128.db2.gz GEFKBJSPHUDPGM-HSZRJFAPSA-N 1 0 441.622 3.682 50 0 IHAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(Cc3nc(-c4ccccc4)no3)C2)cc1OC ZINC000020598748 523940962 /nfs/dbraw/zinc/94/09/62/523940962.db2.gz ZXTCJWGCOWPODW-NRFANRHFSA-N 1 0 436.556 3.893 50 0 IHAARO COc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)cc1Cn1cccn1 ZINC000012448233 524027391 /nfs/dbraw/zinc/02/73/91/524027391.db2.gz ZUMDMKOWPBVQGO-JOCHJYFZSA-N 1 0 434.540 3.788 50 0 IHAARO CN(C)S(=O)(=O)c1ccc(-c2cs/c(=N\c3ccccc3)n2CCC[NH+](C)C)cc1 ZINC000011914291 524058260 /nfs/dbraw/zinc/05/82/60/524058260.db2.gz XZMNTKSGZLQXDB-FCQUAONHSA-N 1 0 444.626 3.651 50 0 IHAARO C[C@H]1CCC[N@H+](CCCNC(=O)CCC(=O)N2Cc3ccccc3Oc3ncccc32)C1 ZINC000020944277 524088290 /nfs/dbraw/zinc/08/82/90/524088290.db2.gz SHWADGJQERKLSW-IBGZPJMESA-N 1 0 436.556 3.739 50 0 IHAARO C[C@@H]1CCC[N@H+](CCCNC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)C1 ZINC000021538887 524222527 /nfs/dbraw/zinc/22/25/27/524222527.db2.gz MDZUBMNLHHYEOQ-GOSISDBHSA-N 1 0 427.618 3.660 50 0 IHAARO C[C@]1(C(=O)NC2CCCCC2)Cn2c3ccoc3cc2C(=O)N1CCC[NH+]1CCCCC1 ZINC000021810690 525198715 /nfs/dbraw/zinc/19/87/15/525198715.db2.gz OWYAZYMDIKXYMJ-RUZDIDTESA-N 1 0 440.588 3.774 50 0 IHAARO Cc1cc(O)c([C@@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)c(=O)n1Cc1ccccc1 ZINC000023086402 525324598 /nfs/dbraw/zinc/32/45/98/525324598.db2.gz FATXIGPOXWFLNW-XMMPIXPASA-N 1 0 437.971 3.901 50 0 IHAARO COc1ccc([C@H](CNC(=O)c2ccc(OC)c(OC)c2OC)[NH+]2CCCCC2)cc1 ZINC000012783083 525359418 /nfs/dbraw/zinc/35/94/18/525359418.db2.gz VJSIXQKDACETLN-FQEVSTJZSA-N 1 0 428.529 3.678 50 0 IHAARO Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NCC3([NH+](C)C)CCCCC3)cc2)ccc1F ZINC000012536015 525421792 /nfs/dbraw/zinc/42/17/92/525421792.db2.gz BLFZLZAPOFPDKJ-UHFFFAOYSA-N 1 0 447.576 3.929 50 0 IHAARO Cc1cccn2c(CN(C)C[C@H]3CCCC[N@@H+]3C)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000022851518 525463538 /nfs/dbraw/zinc/46/35/38/525463538.db2.gz WNFUQIXQHLVNIU-HSZRJFAPSA-N 1 0 447.627 3.874 50 0 IHAARO Cc1ccn2cc(CN3C(=O)CC[C@@H]3CC[NH2+]Cc3cc4c(cc3Cl)OCO4)nc2c1 ZINC000012151227 525616617 /nfs/dbraw/zinc/61/66/17/525616617.db2.gz UCBSNDRCKQXINL-GOSISDBHSA-N 1 0 440.931 3.696 50 0 IHAARO Cc1ccc(-n2cc(C3=CCN(CC(=O)NCC[NH+]4CCCCCC4)CC3)cn2)cc1C ZINC000035403669 525906591 /nfs/dbraw/zinc/90/65/91/525906591.db2.gz FPPDEDYKPMNTEM-UHFFFAOYSA-N 1 0 435.616 3.570 50 0 IHAARO Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3c(c2)nc(CN2CC[NH+](C)CC2)n3C)c1 ZINC000022822114 526247763 /nfs/dbraw/zinc/24/77/63/526247763.db2.gz GVETUKFEZXDAOM-UHFFFAOYSA-N 1 0 449.599 3.770 50 0 IHAARO c1cc(C[NH2+]Cc2ccccc2)n(-c2nnc(N3CCN(c4ccccc4)CC3)s2)c1 ZINC000020576474 526428841 /nfs/dbraw/zinc/42/88/41/526428841.db2.gz XHXPQJBVULXPLF-UHFFFAOYSA-N 1 0 430.581 3.945 50 0 IHAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3cnn(-c4ccc(F)cc4)c3)CC2)O1)c1ccco1 ZINC000012159453 526588211 /nfs/dbraw/zinc/58/82/11/526588211.db2.gz MWCZYGPDCLHHEP-OAQYLSRUSA-N 1 0 438.503 3.548 50 0 IHAARO O=C(c1ccc(SCC[NH+]2CCCCC2)nc1)N1CCN(c2ccccc2F)CC1 ZINC000021663494 526712244 /nfs/dbraw/zinc/71/22/44/526712244.db2.gz PWQFXRGOYUNLSQ-UHFFFAOYSA-N 1 0 428.577 3.761 50 0 IHAARO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000012476958 526730109 /nfs/dbraw/zinc/73/01/09/526730109.db2.gz ZYRLZQMITJQSIT-UHFFFAOYSA-N 1 0 437.462 3.740 50 0 IHAARO Cc1sc2ncn(CCC(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)c(=O)c2c1C ZINC000022414809 526897533 /nfs/dbraw/zinc/89/75/33/526897533.db2.gz KASJDQXPHDCJDX-UHFFFAOYSA-N 1 0 438.597 3.767 50 0 IHAARO O=C1CSc2sc3c(ncn(C[C@@H](c4cccs4)[NH+]4CCCCC4)c3=O)c2N1 ZINC000035671615 527018012 /nfs/dbraw/zinc/01/80/12/527018012.db2.gz DZXCCMKINDNGGH-LBPRGKRZSA-N 1 0 432.596 3.791 50 0 IHAARO O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]([NH2+]CCN1CCOCC1)c1ccccc1 ZINC000022038152 527104377 /nfs/dbraw/zinc/10/43/77/527104377.db2.gz QAFLTAQEIBOFBA-IBGZPJMESA-N 1 0 441.881 3.960 50 0 IHAARO O=C(Cc1cccc(F)c1)Nc1ccc(N2CCC([NH2+]CC3CCOCC3)CC2)cc1 ZINC000012148789 527265513 /nfs/dbraw/zinc/26/55/13/527265513.db2.gz ZMSJSRVLXONCNR-UHFFFAOYSA-N 1 0 425.548 3.992 50 0 IHAARO O=C(Cc1ccncc1)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012314746 527306213 /nfs/dbraw/zinc/30/62/13/527306213.db2.gz YUTCWKACSZRFLR-HSZRJFAPSA-N 1 0 425.548 3.683 50 0 IHAARO O=c1c2c(ncn1Cc1cccc(F)c1)sc1c2CC[C@H]([NH2+]CCc2ccccn2)C1 ZINC000012245600 527457537 /nfs/dbraw/zinc/45/75/37/527457537.db2.gz JYIRKAYNSBPUSM-IBGZPJMESA-N 1 0 434.540 3.730 50 0 IHAARO CC1=C(C(=O)NCCC[NH+]2CCN(c3cc(C)ccc3C)CC2)C2(CCCCC2)OC1=O ZINC000009152294 535223015 /nfs/dbraw/zinc/22/30/15/535223015.db2.gz WTWBJEPDKWVXQR-UHFFFAOYSA-N 1 0 439.600 3.508 50 0 biogenic IHAARO O[C@]1(c2ccc(Br)cc2)CN2CCCCCC2=[N+]1c1ccc2c(c1)OCCO2 ZINC000000623360 555511379 /nfs/dbraw/zinc/51/13/79/555511379.db2.gz KYRPOWZBRGWFPG-QFIPXVFZSA-N 1 0 444.349 3.871 50 0 IHAARO COc1ccc(CC(=O)Nc2ccc(N3CC[NH+](Cc4cccc(C)c4)CC3)nc2)cc1 ZINC000034667840 555791995 /nfs/dbraw/zinc/79/19/95/555791995.db2.gz JJTVGWGITBSZQO-UHFFFAOYSA-N 1 0 430.552 3.902 50 0 IHAARO CC[NH+](CC)CCCNC(=O)c1cnn2c1nc(-c1ccc(OC)cc1)cc2C(F)F ZINC000002770550 555815702 /nfs/dbraw/zinc/81/57/02/555815702.db2.gz RUILJKZWAOKPIB-UHFFFAOYSA-N 1 0 431.487 3.804 50 0 IHAARO CC(C)C[NH+]1CCC(N(c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000034683847 555819522 /nfs/dbraw/zinc/81/95/22/555819522.db2.gz LJYVRSCWJLJBRK-UHFFFAOYSA-N 1 0 434.533 3.870 50 0 IHAARO C[NH+]1CCC(NC(=O)c2cnc(-c3ccc4c(c3)OCO4)nc2Nc2ccc(F)cc2)CC1 ZINC000034921944 555932384 /nfs/dbraw/zinc/93/23/84/555932384.db2.gz YQUANQUBVIWODE-UHFFFAOYSA-N 1 0 449.486 3.579 50 0 IHAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H](C)Cn1cc(Br)cn1 ZINC000002792038 556144263 /nfs/dbraw/zinc/14/42/63/556144263.db2.gz PXOWXVARMLAISN-OAHLLOKOSA-N 1 0 447.381 3.612 50 0 IHAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H](C)Cn1cc(Br)cn1 ZINC000002792037 556144415 /nfs/dbraw/zinc/14/44/15/556144415.db2.gz PXOWXVARMLAISN-HNNXBMFYSA-N 1 0 447.381 3.612 50 0 IHAARO CCc1ccc([C@@H](CNC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)[NH+](C)C)cc1 ZINC000032734510 556305459 /nfs/dbraw/zinc/30/54/59/556305459.db2.gz FJWCXDLZTIXRDF-BJKOFHAPSA-N 1 0 445.563 3.828 50 0 IHAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)c1cnc(CN2CCCC2)s1 ZINC000011767196 556349631 /nfs/dbraw/zinc/34/96/31/556349631.db2.gz ZTIVYYUGCKZPHS-UHFFFAOYSA-N 1 0 444.620 3.905 50 0 IHAARO CSc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)c4ccc(C)cc4C)n3CC2)cc1 ZINC000011788418 556354432 /nfs/dbraw/zinc/35/44/32/556354432.db2.gz HQGMUFAGGKYPMN-UHFFFAOYSA-N 1 0 449.624 3.648 50 0 IHAARO Cc1ccc(-c2ccnc(-n3ncc(C(=O)N4CCC(CC[NH+](C)C)CC4)c3C3CC3)n2)o1 ZINC000011815917 556358659 /nfs/dbraw/zinc/35/86/59/556358659.db2.gz YBJBUNILHLOBQE-UHFFFAOYSA-N 1 0 448.571 3.912 50 0 IHAARO CCN(CC[NH+](C)C)C(=O)c1cnn(-c2ncc(C)c(-c3ccc(F)cc3)n2)c1C(C)C ZINC000011815826 556358750 /nfs/dbraw/zinc/35/87/50/556358750.db2.gz MJDXOXVXHJGDNV-UHFFFAOYSA-N 1 0 438.551 3.924 50 0 IHAARO COCCCN1C(=O)c2cccc(N3CC[NH+](Cc4ccc(C(C)C)cc4)CC3)c2C1=O ZINC000011965245 556381925 /nfs/dbraw/zinc/38/19/25/556381925.db2.gz VJIZFGVIBDSFIK-UHFFFAOYSA-N 1 0 435.568 3.765 50 0 IHAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cnn(-c3nccc(-c4ccccc4F)n3)c2C2CC2)C1 ZINC000012056140 556394195 /nfs/dbraw/zinc/39/41/95/556394195.db2.gz BNRDGLVVNOTZTH-GOSISDBHSA-N 1 0 448.546 3.902 50 0 IHAARO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2ccc(Sc3nncn3C)o2)C1 ZINC000012075234 556397125 /nfs/dbraw/zinc/39/71/25/556397125.db2.gz WSRFZMXQBKCPKA-HSZRJFAPSA-N 1 0 440.569 3.947 50 0 IHAARO COc1ccc([C@@H](CNC(=O)Cc2c(C)nn(-c3ccccc3)c2C)[NH+]2CCCC2)cc1 ZINC000014240683 556401124 /nfs/dbraw/zinc/40/11/24/556401124.db2.gz SBWRMSIIAMDRSW-RUZDIDTESA-N 1 0 432.568 3.994 50 0 IHAARO O=C1CSc2sc3c(ncn(C[C@@H](c4ccccc4)[NH+]4CCCCC4)c3=O)c2N1 ZINC000032624519 556411513 /nfs/dbraw/zinc/41/15/13/556411513.db2.gz VCBATQVTWJOUOS-HNNXBMFYSA-N 1 0 426.567 3.729 50 0 IHAARO C[C@H]1C[NH+](Cc2ccc(CNC(=O)CCCc3nnc(-c4ccccc4)o3)cc2)C[C@H](C)O1 ZINC000032665578 556417084 /nfs/dbraw/zinc/41/70/84/556417084.db2.gz MNTNQUDCFHNEAB-PMACEKPBSA-N 1 0 448.567 3.985 50 0 IHAARO COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](C[C@H]1CC=CCC1)CC2 ZINC000014534618 556422646 /nfs/dbraw/zinc/42/26/46/556422646.db2.gz SSVOIOVJUJNFSZ-NRFANRHFSA-N 1 0 425.573 3.678 50 0 IHAARO CC[C@@H](C)C[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CCc1ccccc1 ZINC000014538991 556424611 /nfs/dbraw/zinc/42/46/11/556424611.db2.gz ZEWLSKCRHRHAIC-OAQYLSRUSA-N 1 0 434.584 3.969 50 0 IHAARO C[C@H]([NH2+]CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cccc2ccccc21 ZINC000012995936 556431033 /nfs/dbraw/zinc/43/10/33/556431033.db2.gz CYCADOGFLYTUHA-IBGZPJMESA-N 1 0 431.536 3.564 50 0 IHAARO COc1ccccc1C[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CCc1ccccc1)C(=O)N2C ZINC000014743466 556439795 /nfs/dbraw/zinc/43/97/95/556439795.db2.gz IYXZZHQRBUXBDN-HXUWFJFHSA-N 1 0 435.568 3.598 50 0 IHAARO CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+]([C@H]1CCc3ccccc3C1)CC2 ZINC000014744095 556440073 /nfs/dbraw/zinc/44/00/73/556440073.db2.gz OCWATDLTIGFXOW-DEOSSOPVSA-N 1 0 443.591 3.830 50 0 IHAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)O1)[C@@H]1CCCO1 ZINC000014879160 556452499 /nfs/dbraw/zinc/45/24/99/556452499.db2.gz MZBDLDWGPWRXOH-MOPGFXCFSA-N 1 0 426.479 3.514 50 0 IHAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](Cc2cccc(SC)c2)CC1 ZINC000014948114 556459948 /nfs/dbraw/zinc/45/99/48/556459948.db2.gz YBCLQNYVLPKQAB-UHFFFAOYSA-N 1 0 444.597 3.837 50 0 IHAARO COc1ccc(N2C(=O)[C@@H]3C[C@H]2CN3C2CC[NH+](CCc3ccccc3)CC2)cc1Cl ZINC000014997329 556478335 /nfs/dbraw/zinc/47/83/35/556478335.db2.gz MLDKMGUCXZMVQU-GMAHTHKFSA-N 1 0 439.987 3.845 50 0 IHAARO O=c1c2c(ncn1Cc1ccccn1)sc1c2CC[C@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000015002177 556480208 /nfs/dbraw/zinc/48/02/08/556480208.db2.gz CIFBOGCELHPAGS-SFHVURJKSA-N 1 0 428.561 3.516 50 0 IHAARO Cc1cccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCC3(c4ccccc4)CCOCC3)CC2)n1 ZINC000015006691 556481915 /nfs/dbraw/zinc/48/19/15/556481915.db2.gz CFSOIHFZNZWWGU-XMMPIXPASA-N 1 0 433.596 3.857 50 0 IHAARO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1 ZINC000072289293 556484622 /nfs/dbraw/zinc/48/46/22/556484622.db2.gz FMCKSYYAAFCCQH-GUDVDZBRSA-N 1 0 429.605 3.531 50 0 IHAARO CNC(=O)c1cc(NC(=O)N[C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)ccc1F ZINC000072289445 556485185 /nfs/dbraw/zinc/48/51/85/556485185.db2.gz FZCXPYRORYDQMW-OAQYLSRUSA-N 1 0 426.536 3.780 50 0 IHAARO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4ccc5c(c4)no[n+]5[O-])C3)C2)cc1 ZINC000015072737 556497249 /nfs/dbraw/zinc/49/72/49/556497249.db2.gz PFVPTYRBVZXSNP-VWLOTQADSA-N 1 0 434.540 3.713 50 0 IHAARO Cc1nc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000015671201 556542145 /nfs/dbraw/zinc/54/21/45/556542145.db2.gz SILVEKHYMGSOIW-UHFFFAOYSA-N 1 0 433.478 3.757 50 0 IHAARO Cc1oc2ncnc(N3CCC[C@H](C(=O)N4CC[NH+](C5CCCCC5)CC4)C3)c2c1C ZINC000032959954 556554077 /nfs/dbraw/zinc/55/40/77/556554077.db2.gz PNQONZRZARCSQD-IBGZPJMESA-N 1 0 425.577 3.533 50 0 IHAARO CC(=O)NCCCCCC(=O)O[C@H]1CCC[C@H]1[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000072310696 556576739 /nfs/dbraw/zinc/57/67/39/556576739.db2.gz ANRZWFBCFHVQGE-YADHBBJMSA-N 1 0 435.996 3.623 50 0 IHAARO Cc1oncc1C(=O)NC1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000072311959 556594591 /nfs/dbraw/zinc/59/45/91/556594591.db2.gz BSZYXDMMQXXZIB-UHFFFAOYSA-N 1 0 425.316 3.513 50 0 IHAARO Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CC[N@H+](CCc2ccccc2)[C@H](CCO)C1 ZINC000036385664 556597835 /nfs/dbraw/zinc/59/78/35/556597835.db2.gz PTDHVCAMJXFRPV-RUZDIDTESA-N 1 0 436.575 3.740 50 0 IHAARO COc1ccccc1/C=C1/Oc2ccc(C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)cc2NC1=O ZINC000032983760 556602287 /nfs/dbraw/zinc/60/22/87/556602287.db2.gz DVMIWLQUNDTSKV-WCIBBKAISA-N 1 0 449.551 3.919 50 0 IHAARO COc1cccc(-c2cc(C(=O)NCC[NH+](C)C)c3cc(Br)ccc3n2)c1 ZINC000016392292 556604558 /nfs/dbraw/zinc/60/45/58/556604558.db2.gz UMZXGULEIIULDN-UHFFFAOYSA-N 1 0 428.330 3.964 50 0 IHAARO CC[NH+]1CCN([C@@H](C)CNc2nc(COC)nc3scc(-c4ccccc4)c32)CC1 ZINC000060277692 556605757 /nfs/dbraw/zinc/60/57/57/556605757.db2.gz WEKNHCXPEBJOQV-KRWDZBQOSA-N 1 0 425.602 3.943 50 0 IHAARO O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000032986393 556605783 /nfs/dbraw/zinc/60/57/83/556605783.db2.gz IGSHQESBBUHXRH-GOSISDBHSA-N 1 0 428.945 3.873 50 0 IHAARO C[C@H](CC[NH+]1CCN(c2ccccc2)CC1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000032916438 556615244 /nfs/dbraw/zinc/61/52/44/556615244.db2.gz BZLXSZHACGLEBH-QGZVFWFLSA-N 1 0 441.519 3.585 50 0 IHAARO Cc1cc2nc(C)c(=O)n(Cc3ccc(C(=O)NCC[N@H+]4CCCC[C@H]4C)cc3)c2cc1C ZINC000033006095 556655218 /nfs/dbraw/zinc/65/52/18/556655218.db2.gz IFIUVDXMTJKONP-HXUWFJFHSA-N 1 0 446.595 3.974 50 0 IHAARO CC(C)Cc1nnc(C(=O)Nc2ccc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)cc2)s1 ZINC000033011321 556659811 /nfs/dbraw/zinc/65/98/11/556659811.db2.gz JRQQPZDHUWOLLH-QGZVFWFLSA-N 1 0 443.617 3.983 50 0 IHAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000248106369 556662993 /nfs/dbraw/zinc/66/29/93/556662993.db2.gz QYKQPLCFEQLYNZ-AUSIDOKSSA-N 1 0 439.625 3.719 50 0 IHAARO C[C@@]1(C2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)NC(=O)N(C2Cc3ccccc3C2)C1=O ZINC000011964524 556677528 /nfs/dbraw/zinc/67/75/28/556677528.db2.gz QETIZIJOWULYGA-MHZLTWQESA-N 1 0 442.563 3.858 50 0 IHAARO COc1ccccc1Oc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000032937304 556689996 /nfs/dbraw/zinc/68/99/96/556689996.db2.gz WZPWOJZMVDQQET-SFHVURJKSA-N 1 0 425.529 3.807 50 0 IHAARO COCCOC(=O)Nc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)c1 ZINC000078699027 556735256 /nfs/dbraw/zinc/73/52/56/556735256.db2.gz ITWBRVDPDCJCAU-UHFFFAOYSA-N 1 0 432.496 3.616 50 0 IHAARO COc1ccc(CN(C)Cc2nccs2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000055152981 556736380 /nfs/dbraw/zinc/73/63/80/556736380.db2.gz WCBCLKBNJJTPID-OAQYLSRUSA-N 1 0 441.597 3.655 50 0 IHAARO COc1cc(CNCc2nc(C)cs2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000055225860 556738297 /nfs/dbraw/zinc/73/82/97/556738297.db2.gz LMDGHDGGXNPHOK-HXUWFJFHSA-N 1 0 433.618 3.754 50 0 IHAARO O=C(NCc1cccnc1)C1CC[NH+](C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000055244429 556738595 /nfs/dbraw/zinc/73/85/95/556738595.db2.gz YZROEXMAJPCCNW-UHFFFAOYSA-N 1 0 426.992 3.728 50 0 IHAARO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)c3cccc(-c4ncc[nH]4)c3)C2)CC1 ZINC000055326498 556740124 /nfs/dbraw/zinc/74/01/24/556740124.db2.gz XVGVGMUEZNBOEH-QHCPKHFHSA-N 1 0 429.568 3.812 50 0 IHAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)[C@H]1COc2ccccc2O1 ZINC000058161193 556764829 /nfs/dbraw/zinc/76/48/29/556764829.db2.gz SEUHEICCJKKXIX-RUZDIDTESA-N 1 0 429.520 3.787 50 0 IHAARO C[C@H](c1nccs1)N1C(=O)c2cccc(N3CC[NH+](Cc4ccccc4)CC3)c2C1=O ZINC000064053614 556822495 /nfs/dbraw/zinc/82/24/95/556822495.db2.gz UINPDVMPIHIRPC-QGZVFWFLSA-N 1 0 432.549 3.823 50 0 IHAARO Cc1cc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000065364173 556835460 /nfs/dbraw/zinc/83/54/60/556835460.db2.gz BBZHDLACNDNBFL-UHFFFAOYSA-N 1 0 432.931 3.922 50 0 IHAARO Cc1nc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000065365786 556836139 /nfs/dbraw/zinc/83/61/39/556836139.db2.gz MLHNEZBUHJJZJK-UHFFFAOYSA-N 1 0 432.931 3.922 50 0 IHAARO COc1cc(C[N@@H+](Cc2cc(=O)n3cc(C)sc3n2)CC(C)C)cc(OC)c1OC ZINC000033068992 556839059 /nfs/dbraw/zinc/83/90/59/556839059.db2.gz AXUAPFRDBGWMQQ-UHFFFAOYSA-N 1 0 431.558 3.748 50 0 IHAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3ccc4nonc4c3)CC2)c1 ZINC000067459559 556842847 /nfs/dbraw/zinc/84/28/47/556842847.db2.gz ANAWEESJZFBGPN-UHFFFAOYSA-N 1 0 436.512 3.511 50 0 IHAARO CSc1cccc(NC(=O)N2CCN(c3nc(N4CCCCC4)cc(C)[nH+]3)CC2)c1 ZINC000067630226 556845071 /nfs/dbraw/zinc/84/50/71/556845071.db2.gz CRQUDSYMKISPHH-UHFFFAOYSA-N 1 0 426.590 3.851 50 0 IHAARO Cc1ccccc1-c1ccc(C[N@H+]2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)cc1 ZINC000019741424 556883715 /nfs/dbraw/zinc/88/37/15/556883715.db2.gz GYWYJPNYAROSCY-UHFFFAOYSA-N 1 0 443.595 3.771 50 0 IHAARO CC(C)[N@H+](CCNC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl)Cc1ccccc1 ZINC000004712499 556890337 /nfs/dbraw/zinc/89/03/37/556890337.db2.gz BVBUPUJNJNDVRH-QFIPXVFZSA-N 1 0 427.976 3.858 50 0 IHAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)[nH+]1 ZINC000072436979 556972757 /nfs/dbraw/zinc/97/27/57/556972757.db2.gz DBFMJPUQHRYZPY-UHFFFAOYSA-N 1 0 432.931 3.922 50 0 IHAARO CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2cc3c(cc2Br)NC(=O)CO3)cc1 ZINC000097161952 556993830 /nfs/dbraw/zinc/99/38/30/556993830.db2.gz XTDXEWLZHZQKQJ-GFCCVEGCSA-N 1 0 432.318 3.632 50 0 IHAARO CCOc1ccc(N2C(=O)C[C@@H](NCCC[NH+]3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000020176548 556995135 /nfs/dbraw/zinc/99/51/35/556995135.db2.gz RDGCKXWYERWUKS-RUZDIDTESA-N 1 0 449.595 3.652 50 0 IHAARO COCCC[N@@H+]1CCc2nc(SCc3nc(-c4ccccc4)oc3C)[nH]c(=O)c2C1 ZINC000033287172 557064409 /nfs/dbraw/zinc/06/44/09/557064409.db2.gz NNWJMJKYFRHUOB-UHFFFAOYSA-N 1 0 426.542 3.833 50 0 IHAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COCCOc2ccc(Cl)cc2)CC1 ZINC000023211999 557106333 /nfs/dbraw/zinc/10/63/33/557106333.db2.gz YMCXTFCIPQSLLW-FQEVSTJZSA-N 1 0 439.383 3.880 50 0 IHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 ZINC000024759211 557135263 /nfs/dbraw/zinc/13/52/63/557135263.db2.gz MWHIVCMGHDZGND-JOCHJYFZSA-N 1 0 443.503 3.643 50 0 IHAARO OCC[NH+]1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC1 ZINC000024102740 557137498 /nfs/dbraw/zinc/13/74/98/557137498.db2.gz KKAFGCNZPSWJJX-UHFFFAOYSA-N 1 0 433.943 3.855 50 0 IHAARO COc1ccc(NS(=O)(=O)c2ccc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc2)cc1 ZINC000011422682 557145990 /nfs/dbraw/zinc/14/59/90/557145990.db2.gz IKZJVAFGUUCZJI-UHFFFAOYSA-N 1 0 445.585 3.535 50 0 IHAARO CCOC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000025230059 557200402 /nfs/dbraw/zinc/20/04/02/557200402.db2.gz KOERXQFXIBCHEW-RBBKRZOGSA-N 1 0 441.524 3.601 50 0 IHAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000604404340 557247223 /nfs/dbraw/zinc/24/72/23/557247223.db2.gz CKPCHMPNXHWMDV-PZJWPPBQSA-N 1 0 431.577 3.983 50 0 biogenic IHAARO CC(C)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]21 ZINC000101807788 557299255 /nfs/dbraw/zinc/29/92/55/557299255.db2.gz OBUYDIXKFNSQRN-MSQSPTIYSA-N 1 0 444.318 3.574 50 0 IHAARO NC(=O)N[C@@H](CC(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1Cl ZINC000014197470 557318047 /nfs/dbraw/zinc/31/80/47/557318047.db2.gz NHHQGKZUPDSHSH-NRFANRHFSA-N 1 0 428.964 3.742 50 0 IHAARO CCCN(CC(=O)Nc1ccccc1OC)[C@@H](C)C(=O)N[C@H](C)CCc1ccccc1 ZINC000102396341 557320698 /nfs/dbraw/zinc/32/06/98/557320698.db2.gz GVBHHWBHTLZXFM-UXHICEINSA-N 1 0 425.573 3.872 50 0 IHAARO Cc1[nH]c(C(=O)N2CCC(CC(=O)NCCC[N@@H+](C)Cc3ccccc3)CC2)c(C)c1C ZINC000033024414 557321388 /nfs/dbraw/zinc/32/13/88/557321388.db2.gz RIILDTUXUCSQMX-UHFFFAOYSA-N 1 0 438.616 3.821 50 0 IHAARO COC(=O)c1ncoc1-c1ccccc1C(=O)NCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000033131204 557325224 /nfs/dbraw/zinc/32/52/24/557325224.db2.gz HVAFNJUONRNWRI-UHFFFAOYSA-N 1 0 447.535 3.813 50 0 IHAARO C[NH+]1CCN(CCCNC(=O)c2cc3occc3c(Nc3ccc(Cl)cc3)n2)CC1 ZINC000096323644 557779388 /nfs/dbraw/zinc/77/93/88/557779388.db2.gz TXZZGGOBCQOONQ-UHFFFAOYSA-N 1 0 427.936 3.592 50 0 IHAARO O=C(C1=C2C(O)N(c3cccc(Cl)c3Cl)C(=O)[C@H]2[C@@H]2CCCN12)c1ccccc1 ZINC000229885423 557833605 /nfs/dbraw/zinc/83/36/05/557833605.db2.gz CZLNOORALBDGNW-RMRDIRSESA-N 1 0 429.303 3.829 50 0 IHAARO Cc1ccc2c(c1)N(CC(=O)NCCC[NH+]1[C@H](C)CCC[C@H]1C)C(=O)c1cccnc1O2 ZINC000009151476 562967857 /nfs/dbraw/zinc/96/78/57/562967857.db2.gz MCFSAZATPUZICJ-RTBURBONSA-N 1 0 436.556 3.912 50 0 IHAARO CC[NH+](CC)CCn1c2c(c(SCC(=O)Nc3ccc(C(C)C)cc3)nc1=O)CCC2 ZINC000009745654 562976490 /nfs/dbraw/zinc/97/64/90/562976490.db2.gz ZONGNSGAJANQFS-UHFFFAOYSA-N 1 0 442.629 3.928 50 0 IHAARO CC[NH+](CC)CCn1c(=O)nc(SCC(=O)Nc2ccc(C)c(F)c2)c2c1CCCC2 ZINC000009747220 562976568 /nfs/dbraw/zinc/97/65/68/562976568.db2.gz WKXOOOURGRMHOJ-UHFFFAOYSA-N 1 0 446.592 3.642 50 0 IHAARO Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000011666598 562978967 /nfs/dbraw/zinc/97/89/67/562978967.db2.gz LCCCQUBMKYMCSE-GOSISDBHSA-N 1 0 447.583 3.966 50 0 IHAARO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104985089 568623625 /nfs/dbraw/zinc/62/36/25/568623625.db2.gz HCDJKGOWGZPUDZ-FGZHOGPDSA-N 1 0 446.494 3.664 50 0 IHAARO CSc1ccccc1C[NH+]1CCC(CNS(=O)(=O)c2cccc(C(C)=O)c2)CC1 ZINC000043959584 568744384 /nfs/dbraw/zinc/74/43/84/568744384.db2.gz NLNFNEVJKCFOFI-UHFFFAOYSA-N 1 0 432.611 3.802 50 0 IHAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCn1cc(C(C)=O)c2ccccc21 ZINC000263585585 568759032 /nfs/dbraw/zinc/75/90/32/568759032.db2.gz KIBKCXMZJFJAFS-XUZZJYLKSA-N 1 0 439.600 3.974 50 0 biogenic IHAARO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+](Cc2ccc(F)cc2)C2CCCCC2)c1C ZINC000015483815 568788715 /nfs/dbraw/zinc/78/87/15/568788715.db2.gz SSVWZDWHLHZERJ-UHFFFAOYSA-N 1 0 447.576 3.863 50 0 IHAARO CCn1c2ccc(F)cc2c(N2CCCC2=O)c1C(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000015681874 568806962 /nfs/dbraw/zinc/80/69/62/568806962.db2.gz OKWQEDIIQUXJQX-KRWDZBQOSA-N 1 0 428.552 3.779 50 0 IHAARO C[N@H+](CCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1)Cc1ccccc1 ZINC000015773954 568823072 /nfs/dbraw/zinc/82/30/72/568823072.db2.gz GCVXEMLBZHNMBU-VWLOTQADSA-N 1 0 427.548 3.896 50 0 IHAARO CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000015773663 568823142 /nfs/dbraw/zinc/82/31/42/568823142.db2.gz YNTKYIKRRGCLJH-VWLOTQADSA-N 1 0 433.596 3.815 50 0 IHAARO COc1cccc(-n2cc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c3ccccc3c2=O)c1 ZINC000085874814 568837905 /nfs/dbraw/zinc/83/79/05/568837905.db2.gz OODMIDWEPSGBEZ-UQBPGWFLSA-N 1 0 445.563 3.994 50 0 biogenic IHAARO COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(-n3cccc3)nc(C)[nH+]2)CC1 ZINC000090607873 568890371 /nfs/dbraw/zinc/89/03/71/568890371.db2.gz XMDHNJUGEIHJAC-UHFFFAOYSA-N 1 0 426.908 3.592 50 0 IHAARO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000089340279 568921021 /nfs/dbraw/zinc/92/10/21/568921021.db2.gz WZIFHHCYHVSFND-UHFFFAOYSA-N 1 0 446.345 3.604 50 0 IHAARO COCCNc1c(-c2ccc(C)cc2)nc2sc(C(=O)NC3CC[NH+](C)CC3)c(C)n21 ZINC000064761232 568952284 /nfs/dbraw/zinc/95/22/84/568952284.db2.gz PQHHTSCBEGBLCT-UHFFFAOYSA-N 1 0 441.601 3.562 50 0 IHAARO Cc1ccc(C(=O)c2c[nH+]c3cc4c(cc3c2N2CCC(C(N)=O)CC2)OCCO4)cc1C ZINC000036102764 568952687 /nfs/dbraw/zinc/95/26/87/568952687.db2.gz ZFFQDNPWTNOFIQ-UHFFFAOYSA-N 1 0 445.519 3.556 50 0 IHAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@@H](C)O ZINC000169680366 568990798 /nfs/dbraw/zinc/99/07/98/568990798.db2.gz HOPWGRLGVUXMSR-TZIWHRDSSA-N 1 0 430.614 3.963 50 0 IHAARO Cc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](CC(C)C)C[C@@H](C)O ZINC000036309220 568995870 /nfs/dbraw/zinc/99/58/70/568995870.db2.gz VEJMHTJVNLMTDS-CTNGQTDRSA-N 1 0 430.614 3.900 50 0 IHAARO CC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)CC1CC1 ZINC000036309082 568995935 /nfs/dbraw/zinc/99/59/35/568995935.db2.gz LHBOCAIWZLPEJU-KNQAVFIVSA-N 1 0 428.598 3.736 50 0 IHAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@H](C)O ZINC000036309410 568995993 /nfs/dbraw/zinc/99/59/93/568995993.db2.gz HOPWGRLGVUXMSR-FPOVZHCZSA-N 1 0 430.614 3.963 50 0 IHAARO CCc1nc(C)nc(N2CC[NH+](C[C@H](O)Cc3ccccc3)CC2)c1Cc1cccc(C)c1 ZINC000036340671 569078973 /nfs/dbraw/zinc/07/89/73/569078973.db2.gz DIURFOHAYJEJSD-RUZDIDTESA-N 1 0 444.623 3.972 50 0 IHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccc(OC)cc2)CC1 ZINC000036341172 569079186 /nfs/dbraw/zinc/07/91/86/569079186.db2.gz VJIZMASMJIPKMT-QHCPKHFHSA-N 1 0 440.975 3.664 50 0 IHAARO CCOc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CC[NH+](CC)CC2)cc1 ZINC000036343948 569079898 /nfs/dbraw/zinc/07/98/98/569079898.db2.gz BEDACNHHXMJMRN-DEOSSOPVSA-N 1 0 438.547 3.540 50 0 IHAARO CCCNc1cc(N2CCC[C@@H](CCC(=O)N3CCC[C@@H](C[NH+]4CCCC4)C3)C2)ncn1 ZINC000169783606 569104198 /nfs/dbraw/zinc/10/41/98/569104198.db2.gz SPEMXOVPDVJQFC-VXKWHMMOSA-N 1 0 442.652 3.630 50 0 IHAARO CCc1ccc(NC(=O)Cn2c(CC)nc3c(c2=O)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000065153503 569111956 /nfs/dbraw/zinc/11/19/56/569111956.db2.gz OGUHTLCGWFJSLQ-UHFFFAOYSA-N 1 0 430.552 3.565 50 0 IHAARO Cc1ccc(CN2CCc3c(cc(C(=O)N4CCC([NH+]5CCCCC5)CC4)n3C)C2)cc1 ZINC000065210900 569116271 /nfs/dbraw/zinc/11/62/71/569116271.db2.gz SRQJXZCGBBBSPX-UHFFFAOYSA-N 1 0 434.628 3.982 50 0 IHAARO O=C(NCC[NH+]1CCCCCC1)c1cc2c(s1)CCN(C(=O)c1ccc(F)cc1)C2 ZINC000065201605 569116307 /nfs/dbraw/zinc/11/63/07/569116307.db2.gz QLEJANTYJHDXMM-UHFFFAOYSA-N 1 0 429.561 3.692 50 0 IHAARO O=C(NCc1ccco1)N1CCC[C@]2(C1)Nc1cccnc1[NH+]=C2NCc1ccccc1 ZINC000065265713 569127139 /nfs/dbraw/zinc/12/71/39/569127139.db2.gz MOVPPAZDZPWBLW-XMMPIXPASA-N 1 0 430.512 3.664 50 0 biogenic IHAARO CC1CCN(C(=O)c2cc3c(s2)CC[C@H](C(=O)N2CC[NH+](C4CCCC4)CC2)C3)CC1 ZINC000065272648 569129104 /nfs/dbraw/zinc/12/91/04/569129104.db2.gz YOKLUUMLGAOWQK-IBGZPJMESA-N 1 0 443.657 3.812 50 0 IHAARO C[C@](O)(CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F)c1ccc(F)cc1F ZINC000170614655 569146395 /nfs/dbraw/zinc/14/63/95/569146395.db2.gz GEEZRRSRBUBAPW-MDKPJZGXSA-N 1 0 442.428 3.599 50 0 IHAARO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCC(C(=O)c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000002108018 569177294 /nfs/dbraw/zinc/17/72/94/569177294.db2.gz ATJMZTVSABUEJR-RJBAEKJRSA-N 1 0 437.580 3.866 50 0 IHAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(c5cccc(Cl)c5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000002119413 569182855 /nfs/dbraw/zinc/18/28/55/569182855.db2.gz HXHILYRRLVJUGI-AVWDQLLDSA-N 1 0 445.003 3.747 50 0 biogenic IHAARO C[N@@H+]1CCCN(c2ccc(NC(=O)N(Cc3cccnc3)C[C@H]3CCCO3)cc2F)CC1 ZINC000252452564 569184299 /nfs/dbraw/zinc/18/42/99/569184299.db2.gz PHSGHIQKKSBVIU-OAQYLSRUSA-N 1 0 441.551 3.576 50 0 IHAARO Cc1cc(N2CC[C@]3(O)CCCC[C@@H]3C2)nc([C@H](C)N2CC[C@]3(O)CCCC[C@H]3C2)n1 ZINC000252476809 569185778 /nfs/dbraw/zinc/18/57/78/569185778.db2.gz BZEVBUNFRZVASC-IRZMIGAXSA-N 1 0 428.621 3.604 50 0 IHAARO O=C(Cc1ccccc1)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000581819865 569211532 /nfs/dbraw/zinc/21/15/32/569211532.db2.gz PFIUPOFIFYDYMC-RUZDIDTESA-N 1 0 433.596 3.592 50 0 IHAARO O=C(CC1CCCC1)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000581819810 569211658 /nfs/dbraw/zinc/21/16/58/569211658.db2.gz MLGZKGPHXWZQOZ-DEOSSOPVSA-N 1 0 425.617 3.929 50 0 IHAARO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000002256272 569216857 /nfs/dbraw/zinc/21/68/57/569216857.db2.gz PRFPPIFJFDAJKJ-HUUCEWRRSA-N 1 0 431.533 3.668 50 0 IHAARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000253389815 569264243 /nfs/dbraw/zinc/26/42/43/569264243.db2.gz LKCKDRMAWUHSIF-GRSOWLQASA-N 1 0 437.499 3.579 50 0 IHAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CN1C(=O)c2ccccc2N[C@@H]1c1ccccc1 ZINC000253412490 569265854 /nfs/dbraw/zinc/26/58/54/569265854.db2.gz RDWFCTPDCNFCGV-NZJKTDFXSA-N 1 0 446.595 3.976 50 0 biogenic IHAARO COc1ccc2c(c1)c([C@H](O)C[NH+]1CCC3(CC1)OCCO3)c(C)n2Cc1ccccc1 ZINC000002438183 569303918 /nfs/dbraw/zinc/30/39/18/569303918.db2.gz DTKFWHIMNBUWEN-XMMPIXPASA-N 1 0 436.552 3.879 50 0 IHAARO Cc1ccc(-n2nc(C(=O)N3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)c3c2CCC3)cc1 ZINC000079049300 569323255 /nfs/dbraw/zinc/32/32/55/569323255.db2.gz COZINAYGNSPPSM-SZPZYZBQSA-N 1 0 426.564 3.873 50 0 IHAARO CCOC(CNC(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(CC)cc3)oc2C)C1)OCC ZINC000020240915 569357712 /nfs/dbraw/zinc/35/77/12/569357712.db2.gz CJLMRLFZQZRZQE-OAQYLSRUSA-N 1 0 443.588 3.940 50 0 IHAARO CC[C@H](O)C[NH+]1CCC(Nc2nc(-c3cnccn3)nc3sc4c(c32)CCCC4)CC1 ZINC000095443240 569366884 /nfs/dbraw/zinc/36/68/84/569366884.db2.gz DQZBWCFCACRVBP-INIZCTEOSA-N 1 0 438.601 3.674 50 0 IHAARO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1cccc(-c2nnc(COC)o2)c1 ZINC000095464136 569370548 /nfs/dbraw/zinc/37/05/48/569370548.db2.gz XIMQFCKKLWBTQV-UHFFFAOYSA-N 1 0 438.528 3.534 50 0 IHAARO CCOc1cc(C[N@H+](C)CCNC(=O)N(C)C)ccc1OCCOc1cccc(C)c1 ZINC000095467772 569371204 /nfs/dbraw/zinc/37/12/04/569371204.db2.gz SDKITFVMKHSFAK-UHFFFAOYSA-N 1 0 429.561 3.555 50 0 IHAARO C[NH+](C)Cc1ccc(N2CCN(C(=O)c3cccc(NC(=O)C4CCCCC4)c3)CC2)nc1 ZINC000095959739 569377127 /nfs/dbraw/zinc/37/71/27/569377127.db2.gz PNFGVLIFRXTLQM-UHFFFAOYSA-N 1 0 449.599 3.624 50 0 IHAARO COc1ccc(NC2C[NH+](C(c3ccccc3)c3ccccc3)C2)cc1NS(C)(=O)=O ZINC000096013610 569380359 /nfs/dbraw/zinc/38/03/59/569380359.db2.gz YDGQYCNTEAQYOO-UHFFFAOYSA-N 1 0 437.565 3.952 50 0 IHAARO O=C(C[C@@H]1COc2cc(F)ccc2N1Cc1ccccc1)NCCC[NH+]1CCCCC1 ZINC000096322996 569394973 /nfs/dbraw/zinc/39/49/73/569394973.db2.gz YHUZOIOSWDVWFE-JOCHJYFZSA-N 1 0 425.548 3.976 50 0 IHAARO Cc1ccc2c(c1)OC[C@H](CC(=O)NCCC[NH+]1CCCC1)N2Cc1ccc(F)cc1 ZINC000096323023 569395000 /nfs/dbraw/zinc/39/50/00/569395000.db2.gz KTTNRLQVARIORC-QFIPXVFZSA-N 1 0 425.548 3.894 50 0 IHAARO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CS[C@]2(c3ccccc3)CCC(=O)N12)c1ccccc1 ZINC000230028111 569417923 /nfs/dbraw/zinc/41/79/23/569417923.db2.gz MVVOTBFHYVHETH-SLSDLSHTSA-N 1 0 437.609 3.777 50 0 IHAARO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[NH2+][C@H](c1ccccc1)C(C)C ZINC000057315510 569430949 /nfs/dbraw/zinc/43/09/49/569430949.db2.gz IHLDFZBSQCDGJH-SFHVURJKSA-N 1 0 431.558 3.518 50 0 IHAARO CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH2+][C@@H](C)c1ccccc1 ZINC000057318530 569430977 /nfs/dbraw/zinc/43/09/77/569430977.db2.gz RZCOPSBXTHAIDJ-SFHVURJKSA-N 1 0 445.585 3.549 50 0 IHAARO Cc1ccc([C@@H]([NH2+]CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)cc1 ZINC000057380643 569432600 /nfs/dbraw/zinc/43/26/00/569432600.db2.gz WCROMFFJWBYATL-DEOSSOPVSA-N 1 0 431.492 3.794 50 0 IHAARO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000030031097 569440542 /nfs/dbraw/zinc/44/05/42/569440542.db2.gz JAZQIYUHSSOXAY-UHFFFAOYSA-N 1 0 429.883 3.842 50 0 IHAARO CCOC(=O)c1c(NC(=O)C[NH2+][C@H]2CCCc3ccccc32)sc2c1CCN(CC)C2 ZINC000003328000 569446335 /nfs/dbraw/zinc/44/63/35/569446335.db2.gz VGGQRXMSVHYCNO-IBGZPJMESA-N 1 0 441.597 3.909 50 0 IHAARO Cc1ccc(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@H](O)[C@H]34)CC2)cc1C ZINC000059415110 569461310 /nfs/dbraw/zinc/46/13/10/569461310.db2.gz ZZSQDHGSNRGFRY-HPLYJOIUSA-N 1 0 438.612 3.710 50 0 biogenic IHAARO CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1CCC[NH+](C)C ZINC000008132741 569462283 /nfs/dbraw/zinc/46/22/83/569462283.db2.gz ZCHTUOKCIUXQGL-ROUUACIJSA-N 1 0 430.618 3.620 50 0 IHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3OCc3noc(C)n3)cc2C)CC1 ZINC000040033924 569483195 /nfs/dbraw/zinc/48/31/95/569483195.db2.gz MXHPUGZZMHXIGQ-UHFFFAOYSA-N 1 0 435.528 3.660 50 0 IHAARO Cc1ccccc1[C@H](CC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)NC(N)=O ZINC000040069610 569485371 /nfs/dbraw/zinc/48/53/71/569485371.db2.gz DJXAUJSFZIYWGJ-PMACEKPBSA-N 1 0 428.602 3.745 50 0 IHAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH2+]C4CCN(Cc5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000008917848 569486076 /nfs/dbraw/zinc/48/60/76/569486076.db2.gz NILKEYZRQOIGIQ-DBFQGJLESA-N 1 0 438.612 3.526 50 0 biogenic IHAARO C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCC(C(=O)c5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000008918012 569486175 /nfs/dbraw/zinc/48/61/75/569486175.db2.gz ATJMZTVSABUEJR-FKZUWCDTSA-N 1 0 437.580 3.866 50 0 biogenic IHAARO Cc1c(O)ccc2c(C)c(CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(=O)oc12 ZINC000008995666 569495667 /nfs/dbraw/zinc/49/56/67/569495667.db2.gz BKJOLMLJCVQTSB-UHFFFAOYSA-N 1 0 434.536 3.829 50 0 IHAARO CC[NH+](CC)CCCNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(C)n(C)c2ccccc21 ZINC000009095118 569501262 /nfs/dbraw/zinc/50/12/62/569501262.db2.gz JXUXWNFJMAJENL-SANMLTNESA-N 1 0 446.595 3.880 50 0 IHAARO CC[NH+](CC)CCCNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(C)[nH]c2ccccc21 ZINC000009226963 569513368 /nfs/dbraw/zinc/51/33/68/569513368.db2.gz SELGGXLBTWGHFD-VWLOTQADSA-N 1 0 432.568 3.870 50 0 IHAARO CC[NH+](CC)CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1cccs1 ZINC000009432580 569534412 /nfs/dbraw/zinc/53/44/12/569534412.db2.gz INKUILVFSICMBI-FCHUYYIVSA-N 1 0 443.613 3.523 50 0 IHAARO CC[NH+](CC)CCCn1cc2c(c1-c1ccc(Cl)cc1Cl)c(=O)n(C)c(=O)n2C ZINC000009476733 569539118 /nfs/dbraw/zinc/53/91/18/569539118.db2.gz NTPXMFHPFASONI-UHFFFAOYSA-N 1 0 437.371 3.744 50 0 IHAARO COc1ccc(OC)c(Nc2nc(NCC[NH+](C)C)nc3c2cnn3-c2ccccc2)c1 ZINC000009573592 569547916 /nfs/dbraw/zinc/54/79/16/569547916.db2.gz NCTPYLFGVOOTRH-UHFFFAOYSA-N 1 0 433.516 3.550 50 0 IHAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cccn2c(=O)c3c(nc12)sc1c3CCCC1 ZINC000009677832 569559598 /nfs/dbraw/zinc/55/95/98/569559598.db2.gz FREJBXKCQKLHJZ-IYBDPMFKSA-N 1 0 438.597 3.781 50 0 IHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CSc2cc(=O)n(C)c3cc(Cl)ccc23)C1 ZINC000009692087 569561037 /nfs/dbraw/zinc/56/10/37/569561037.db2.gz RNCUKWDRNZYMTN-HZPDHXFCSA-N 1 0 436.021 3.768 50 0 IHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2CCN(C(=O)c3cc4sccc4n3C)CC2)C1 ZINC000009847798 569571162 /nfs/dbraw/zinc/57/11/62/569571162.db2.gz DHBODTMLNCWNLZ-HDICACEKSA-N 1 0 444.645 3.576 50 0 IHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000071775379 569580969 /nfs/dbraw/zinc/58/09/69/569580969.db2.gz LEBQSDLOPQXMCM-UHFFFAOYSA-N 1 0 440.341 3.685 50 0 IHAARO COc1ccccc1C(=O)N1CCC([NH+]2CCC(C(=O)N(C)Cc3ccccc3)CC2)CC1 ZINC000034912464 569587689 /nfs/dbraw/zinc/58/76/89/569587689.db2.gz XZORFBFXNFPKGP-UHFFFAOYSA-N 1 0 449.595 3.670 50 0 IHAARO CN1CCN(C(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccccc3)CC2)CC1 ZINC000035561565 569587733 /nfs/dbraw/zinc/58/77/33/569587733.db2.gz FWWXBBNYCCDFIQ-UHFFFAOYSA-N 1 0 430.596 3.676 50 0 IHAARO C[C@H]1CC[C@@H]2[N@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C[C@H](O)[C@H]5C[C@@H](O)CC[C@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O ZINC000008234364 291372846 /nfs/dbraw/zinc/37/28/46/291372846.db2.gz IUKLSMSEHKDIIP-BZMYINFQSA-N 1 0 431.661 3.678 50 0 biogenic,in-vitro IHAARO CCOC(=O)c1ccc(NC(=O)Nc2ccc(C(=O)NCC[NH+](CC)CC)cc2)cc1 ZINC000051354287 193925883 /nfs/dbraw/zinc/92/58/83/193925883.db2.gz OGILZNWILIGSSY-UHFFFAOYSA-N 1 0 426.517 3.579 50 0 IHAARO C[N@H+](CCCNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccccc1)Cc1ccccc1 ZINC000003670315 132267437 /nfs/dbraw/zinc/26/74/37/132267437.db2.gz FUMJVBLICSRAFI-AREMUKBSSA-N 1 0 444.535 3.522 50 0 IHAARO C[N@H+](CCCNC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1ccccc1)Cc1ccccc1 ZINC000003670313 132267507 /nfs/dbraw/zinc/26/75/07/132267507.db2.gz FUMJVBLICSRAFI-SANMLTNESA-N 1 0 444.535 3.522 50 0 IHAARO CC[NH+]1CCN(c2ccc(NC(=O)CN(C)Cc3ccccc3N3CCCCC3)cc2)CC1 ZINC000009604528 132323195 /nfs/dbraw/zinc/32/31/95/132323195.db2.gz BYRPDTXCXXGZRM-UHFFFAOYSA-N 1 0 449.643 3.889 50 0 IHAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)COc2ccc(Cl)c(C)c2)CC1 ZINC000009907997 132331584 /nfs/dbraw/zinc/33/15/84/132331584.db2.gz WUKFRIWFWOAMLM-UHFFFAOYSA-N 1 0 445.947 3.594 50 0 IHAARO COc1cc(/C=C/C(=O)N2CCN(c3cc[nH+]cc3)CC2)ccc1OCc1c(C)noc1C ZINC000013117942 132345115 /nfs/dbraw/zinc/34/51/15/132345115.db2.gz FLUCWELGSPGWCT-FNORWQNLSA-N 1 0 448.523 3.636 50 0 IHAARO CC(=O)N1CCC[C@H]1C(=O)N(Cc1cccnc1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000012305383 519555222 /nfs/dbraw/zinc/55/52/22/519555222.db2.gz ZSQJJHSFIOPVGJ-SANMLTNESA-N 1 0 448.611 3.642 50 0 IHAARO CCC[NH+]1CCC(N2CCC(Oc3cc(OC)ccc3C(=O)N3CCCC3)CC2)CC1 ZINC000020540293 519844340 /nfs/dbraw/zinc/84/43/40/519844340.db2.gz KKRCKPSYOJZYPS-UHFFFAOYSA-N 1 0 429.605 3.649 50 0 IHAARO CCCC[N@H+](CCCNC(=O)Cn1nc(-c2ccccc2)ccc1=O)Cc1ccccc1 ZINC000020687393 520500427 /nfs/dbraw/zinc/50/04/27/520500427.db2.gz JFRKFIXYLMJNSY-UHFFFAOYSA-N 1 0 432.568 3.719 50 0 IHAARO CC[NH+](CC)CCCn1c(=O)c2ccccc2nc1SCc1nc2ccccc2c(=O)[nH]1 ZINC000022280760 520639599 /nfs/dbraw/zinc/63/95/99/520639599.db2.gz ACNAGXLHUAKDLC-UHFFFAOYSA-N 1 0 449.580 3.657 50 0 IHAARO CC[NH+](CC)CCOc1ccc(CNS(=O)(=O)c2ccc(F)c3ncccc23)cc1 ZINC000040105113 520698569 /nfs/dbraw/zinc/69/85/69/520698569.db2.gz DOWSDBXSRYLTTC-UHFFFAOYSA-N 1 0 431.533 3.573 50 0 IHAARO CC[NH+](CC)CCOc1ccccc1CNS(=O)(=O)c1ccc(Br)cc1 ZINC000032929509 520702253 /nfs/dbraw/zinc/70/22/53/520702253.db2.gz XDEALOPDXKEWKX-UHFFFAOYSA-N 1 0 441.391 3.648 50 0 IHAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cnn(-c3nccc(-c4cc(C)sc4C)n3)c2C)C1 ZINC000012218950 520844814 /nfs/dbraw/zinc/84/48/14/520844814.db2.gz SLSHNPASUAGRFB-GOSISDBHSA-N 1 0 438.601 3.872 50 0 IHAARO CCCCOc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)C2CCCCCC2)cc1 ZINC000035421512 520862409 /nfs/dbraw/zinc/86/24/09/520862409.db2.gz CONMVCZDBSGHNH-UHFFFAOYSA-N 1 0 429.605 3.852 50 0 IHAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)CSc1ccncc1 ZINC000012308885 521219205 /nfs/dbraw/zinc/21/92/05/521219205.db2.gz YXRCXCFCBOKRMO-OAQYLSRUSA-N 1 0 427.614 3.986 50 0 IHAARO CCOC(=O)c1c(C)[nH]c(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)c1C ZINC000011844039 521377803 /nfs/dbraw/zinc/37/78/03/521377803.db2.gz LDCHYRCWXAJAKN-HXUWFJFHSA-N 1 0 443.563 3.974 50 0 IHAARO CC[NH+]1CCN(CCNC(=O)c2cc3sccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000020860698 521684046 /nfs/dbraw/zinc/68/40/46/521684046.db2.gz AYEYVIPTXVWLQO-UHFFFAOYSA-N 1 0 431.005 3.772 50 0 IHAARO CC[NH+]1CCN([C@@H](c2c(C)c(C)sc2NC(C)=O)c2ccc(C(=O)OC)cc2)CC1 ZINC000021670002 521693429 /nfs/dbraw/zinc/69/34/29/521693429.db2.gz WJTKHOYLVOJQGA-OAQYLSRUSA-N 1 0 429.586 3.837 50 0 IHAARO COC(=O)c1c(OCCCc2ccccc2)cc(=O)n2c1CC[N@H+](CCC(C)C)CC2 ZINC000012185954 521774689 /nfs/dbraw/zinc/77/46/89/521774689.db2.gz BNTUVILWLHFMLA-UHFFFAOYSA-N 1 0 426.557 3.551 50 0 IHAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)c1cccc(F)c1 ZINC000012911332 522024373 /nfs/dbraw/zinc/02/43/73/522024373.db2.gz QBTDOTAQCIAHRN-QHCPKHFHSA-N 1 0 445.494 3.655 50 0 IHAARO COC(=O)c1sc(NC(=O)CC[NH2+][C@H](C)c2cccc(Cl)c2)c(C(=O)OC)c1C ZINC000012864250 522424985 /nfs/dbraw/zinc/42/49/85/522424985.db2.gz HSJLCNFKYZTKAS-GFCCVEGCSA-N 1 0 438.933 3.963 50 0 IHAARO Cn1c2ccc(F)cc2c(N2CCCC2=O)c1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000021529845 522765708 /nfs/dbraw/zinc/76/57/08/522765708.db2.gz PNQHDHLQRCNRAG-UHFFFAOYSA-N 1 0 428.552 3.829 50 0 IHAARO C[N@H+](CCCNC(=O)c1ccc(C[S@](=O)c2ccc(F)cc2)o1)Cc1ccccc1 ZINC000020515065 522768178 /nfs/dbraw/zinc/76/81/78/522768178.db2.gz GJDCNAMYWMLINY-SSEXGKCCSA-N 1 0 428.529 3.978 50 0 IHAARO COCCC(=O)N[C@@H](C)c1nnc2n1CC[N@@H+](Cc1cccc(-c3ccccc3C)c1)CC2 ZINC000020598961 522953699 /nfs/dbraw/zinc/95/36/99/522953699.db2.gz OWHDTLWBFYGUGC-FQEVSTJZSA-N 1 0 447.583 3.526 50 0 IHAARO C[NH+]1CCC(N(Cc2ccco2)S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000012771972 523768838 /nfs/dbraw/zinc/76/88/38/523768838.db2.gz VVMDRRHUSXVPQJ-UHFFFAOYSA-N 1 0 447.782 3.981 50 0 IHAARO C[NH+]1CCN(c2ccc(NC(=O)C3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc2)CC1 ZINC000012641774 523925588 /nfs/dbraw/zinc/92/55/88/523925588.db2.gz VAONEKWSMXRJJB-UHFFFAOYSA-N 1 0 440.975 3.583 50 0 IHAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](CCCc2ccccc2)CC1 ZINC000012709685 523926706 /nfs/dbraw/zinc/92/67/06/523926706.db2.gz BMSLEOZLRYPXRT-UHFFFAOYSA-N 1 0 426.557 3.547 50 0 IHAARO C[NH+]1CCN(c2nc3nn(-c4ccc(Cl)cc4)c(N)c3c(-c3ccc(F)cc3)n2)CC1 ZINC000035930055 523928726 /nfs/dbraw/zinc/92/87/26/523928726.db2.gz DUJUBFJKPOQKQK-UHFFFAOYSA-N 1 0 437.910 3.609 50 0 IHAARO CC[C@H](C)[N@H+](CCNC(=O)c1noc(C)c1Cn1nc(C)cc1C)Cc1cccs1 ZINC000020994065 523935596 /nfs/dbraw/zinc/93/55/96/523935596.db2.gz IHPRAKXLPCRGKT-INIZCTEOSA-N 1 0 429.590 3.937 50 0 IHAARO CN(C(=O)C[NH+](C)C)[C@@H](Cc1ccccc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000012132763 524041877 /nfs/dbraw/zinc/04/18/77/524041877.db2.gz CZNKRRLRYWMEKT-MIFWMJNYSA-N 1 0 433.596 3.570 50 0 IHAARO COc1ccc(C[C@H](C)[NH2+]Cc2cc(NC(=O)c3ccccn3)cc(C(=O)N(C)C)c2)cc1 ZINC000020452542 524153621 /nfs/dbraw/zinc/15/36/21/524153621.db2.gz VKFBGTYCQFIXGW-SFHVURJKSA-N 1 0 446.551 3.765 50 0 IHAARO COc1ccccc1-c1cc(C(F)(F)F)n2ncc(C(=O)OC[C@@H]3CCC[N@H+](C)C3)c2n1 ZINC000021788912 524267496 /nfs/dbraw/zinc/26/74/96/524267496.db2.gz CLRRAWGPZSKLJD-CQSZACIVSA-N 1 0 448.445 3.922 50 0 IHAARO COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2cccc(C)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000008396295 524325848 /nfs/dbraw/zinc/32/58/48/524325848.db2.gz MYVQODHDBOYLTR-WAUWHALJSA-O 1 0 448.930 3.673 50 0 IHAARO Cc1ccc(C[NH2+][C@H]2CCc3c(sc4ncn(Cc5ccccn5)c(=O)c34)C2)cc1F ZINC000014978529 524612910 /nfs/dbraw/zinc/61/29/10/524612910.db2.gz HWIGORGAKNVHPE-KRWDZBQOSA-N 1 0 434.540 3.996 50 0 IHAARO COc1ccccc1[C@@H](CNC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C(C)C)[NH+]1CCCC1 ZINC000012796108 524733842 /nfs/dbraw/zinc/73/38/42/524733842.db2.gz AUKKKEDYFKMIKM-VWNXMTODSA-N 1 0 437.584 3.711 50 0 IHAARO COc1ccccc1[C@@H](CNC(=O)[C@H](NC(=O)c1ccccc1F)C(C)C)[NH+]1CCCC1 ZINC000012791922 524734514 /nfs/dbraw/zinc/73/45/14/524734514.db2.gz FTDLFNIQEUXUTD-FYYLOGMGSA-N 1 0 441.547 3.542 50 0 IHAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[NH2+]CCCN1CCOCC1 ZINC000015071669 525013521 /nfs/dbraw/zinc/01/35/21/525013521.db2.gz NNANYGYJVDZTRN-UHFFFAOYSA-N 1 0 426.511 3.938 50 0 IHAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)C[C@H]2CCC(=O)N2)C2CCCC2)CC1 ZINC000011844184 525109319 /nfs/dbraw/zinc/10/93/19/525109319.db2.gz MDKQCDVUMWNRRF-HSZRJFAPSA-N 1 0 425.617 3.689 50 0 IHAARO Cc1c(C(=O)N2CC[NH+](C3CCCC3)CC2)cnn1-c1ncc(C)c(-c2cccs2)n1 ZINC000012244254 525583182 /nfs/dbraw/zinc/58/31/82/525583182.db2.gz MTLSXZSDOXZNDG-UHFFFAOYSA-N 1 0 436.585 3.708 50 0 IHAARO Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c(C)c1 ZINC000012536225 525594614 /nfs/dbraw/zinc/59/46/14/525594614.db2.gz ARFSMKOOTFFJRK-UHFFFAOYSA-N 1 0 427.492 3.875 50 0 IHAARO Cc1ccnc(N2CCC[C@H](C(=O)NCC3CC[NH+](Cc4ccccc4Cl)CC3)C2)n1 ZINC000035454386 525666759 /nfs/dbraw/zinc/66/67/59/525666759.db2.gz FLBLKYDYQNHXHW-NRFANRHFSA-N 1 0 442.007 3.683 50 0 IHAARO COc1cccc(CN2C[C@@H]3C[C@@H](c4ccc(-n5cccn5)cc4)[N@@H+]4CCC[C@@]34C2=O)c1 ZINC000012571333 525957183 /nfs/dbraw/zinc/95/71/83/525957183.db2.gz BFVBTNRZLDFGKO-CVJWPJSTSA-N 1 0 428.536 3.819 50 0 IHAARO C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)Nc3cccc(C[NH+]4CCCC4)c3)ccc2S1 ZINC000020977382 526217296 /nfs/dbraw/zinc/21/72/96/526217296.db2.gz ZPFGGTHGHBTAIL-OAHLLOKOSA-N 1 0 431.583 3.906 50 0 IHAARO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)NC(=O)[C@H]1CCCCN21 ZINC000021938367 526301782 /nfs/dbraw/zinc/30/17/82/526301782.db2.gz OQUMRMUMFUIUBG-RUZDIDTESA-N 1 0 446.595 3.682 50 0 IHAARO O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)Oc2ccccc21)NCCC[NH+]1CCCC1 ZINC000020731504 526706682 /nfs/dbraw/zinc/70/66/82/526706682.db2.gz VVWUAPATMXUNGP-CJLVFECKSA-N 1 0 439.943 3.709 50 0 IHAARO O=C(c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)N1CCCC[C@H]1CCCO ZINC000012315056 526708162 /nfs/dbraw/zinc/70/81/62/526708162.db2.gz AZQXOVZIGGRBDL-QHCPKHFHSA-N 1 0 437.584 3.892 50 0 IHAARO O=C(COc1ccccc1)Nc1ccc(N2CCC([NH2+]Cc3[nH]nc4c3CCC4)CC2)cc1 ZINC000012150950 526985862 /nfs/dbraw/zinc/98/58/62/526985862.db2.gz PVHQMADRURAKDU-UHFFFAOYSA-N 1 0 445.567 3.675 50 0 IHAARO O=C(Cn1cccn1)N1CCC[C@@H](COc2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)C1 ZINC000012207164 527387326 /nfs/dbraw/zinc/38/73/26/527387326.db2.gz RMWXLZXGRBAZJR-HSZRJFAPSA-N 1 0 444.579 3.759 50 0 IHAARO O=c1c2c(ncn1Cc1ccccn1)sc1c2CC[C@@H]([NH2+]CCc2ccccc2F)C1 ZINC000012219254 527457726 /nfs/dbraw/zinc/45/77/26/527457726.db2.gz NPYWJSVUBQOVFL-QGZVFWFLSA-N 1 0 434.540 3.730 50 0 IHAARO Cc1c(C(=O)Nc2cccc(F)c2)nnn1-c1cccc2c1CC[N@@H+](C1CCOCC1)C2 ZINC000071890370 555744057 /nfs/dbraw/zinc/74/40/57/555744057.db2.gz LTINTFKADMMTFE-UHFFFAOYSA-N 1 0 435.503 3.504 50 0 IHAARO CCN1CCN(C(=O)c2ccc(C[NH+]3CCC(C(C)=O)(c4ccccc4)CC3)cc2)CC1 ZINC000034684953 555820460 /nfs/dbraw/zinc/82/04/60/555820460.db2.gz TYBDIFKFHFTRAE-UHFFFAOYSA-N 1 0 433.596 3.587 50 0 IHAARO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000004123080 555965803 /nfs/dbraw/zinc/96/58/03/555965803.db2.gz JXVUQXYDCPYKEB-UHFFFAOYSA-N 1 0 447.402 3.718 50 0 IHAARO COc1ccc2nc(N3CCC[C@@H](C(=O)NCCC[N@@H+]4CCC[C@@H](C)C4)C3)sc2c1 ZINC000004757547 556010156 /nfs/dbraw/zinc/01/01/56/556010156.db2.gz VPAFHNCLEOHSTH-QZTJIDSGSA-N 1 0 430.618 3.760 50 0 IHAARO CC[C@H](CO)[NH2+]Cc1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000008437921 556173893 /nfs/dbraw/zinc/17/38/93/556173893.db2.gz TUKANFPNYZAMKT-MRXNPFEDSA-N 1 0 426.435 3.592 50 0 IHAARO CCOc1cc(C[NH2+]CCSc2nnnn2C)ccc1OCc1ccc(Cl)cc1 ZINC000009194361 556254443 /nfs/dbraw/zinc/25/44/43/556254443.db2.gz GGEFWYMQMNSQNT-UHFFFAOYSA-N 1 0 433.965 3.723 50 0 IHAARO CCOc1cc(C[NH2+]CCSc2nnnn2C)ccc1OCc1ccccc1Cl ZINC000009194372 556254564 /nfs/dbraw/zinc/25/45/64/556254564.db2.gz ULNWLIXBIKOSAV-UHFFFAOYSA-N 1 0 433.965 3.723 50 0 IHAARO COc1ccc(CCC2CC[NH+]([C@@H]3CC(=O)N(c4ccc(C)cc4)C3=O)CC2)c(OC)c1 ZINC000009287898 556272452 /nfs/dbraw/zinc/27/24/52/556272452.db2.gz MCAGIJSYMKBQQQ-HSZRJFAPSA-N 1 0 436.552 3.989 50 0 IHAARO CC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccc4c(c3)OCCO4)=NN12 ZINC000013750018 556298728 /nfs/dbraw/zinc/29/87/28/556298728.db2.gz QUWOBYQWEHDVJA-FQEVSTJZSA-N 1 0 435.524 3.822 50 0 IHAARO O=S(=O)(NC[C@H](c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000022920404 556340227 /nfs/dbraw/zinc/34/02/27/556340227.db2.gz XOFZUTNEDQBOSF-RUZDIDTESA-N 1 0 435.593 3.524 50 0 IHAARO CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(OC3CC[NH+](CC(C)(C)C)CC3)c2)C1 ZINC000011878977 556371339 /nfs/dbraw/zinc/37/13/39/556371339.db2.gz GCJAFVRBFCSBQK-FQEVSTJZSA-N 1 0 430.589 3.991 50 0 IHAARO C[C@H](NC(=O)C1CC1)c1nnc2n1CC[N@@H+](Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000011881589 556373290 /nfs/dbraw/zinc/37/32/90/556373290.db2.gz QHFDSGIEBYSPAJ-SFHVURJKSA-N 1 0 431.540 3.716 50 0 IHAARO Cc1noc(C)c1COc1ccc(CC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000032800711 556375544 /nfs/dbraw/zinc/37/55/44/556375544.db2.gz YDLSGYBOCICRAU-SFHVURJKSA-N 1 0 433.552 3.976 50 0 IHAARO C[C@@H]([NH2+]CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1cccs1 ZINC000014169650 556380886 /nfs/dbraw/zinc/38/08/86/556380886.db2.gz ITVOIDOZPHEATJ-MRXNPFEDSA-N 1 0 429.567 3.863 50 0 IHAARO COc1ccc(F)c(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)c1 ZINC000011998456 556384865 /nfs/dbraw/zinc/38/48/65/556384865.db2.gz AASLYRJOZJNEEV-FQEVSTJZSA-N 1 0 440.563 3.570 50 0 IHAARO O=C(NCc1ccccc1F)c1ccc(N2CCC([NH2+]CCc3ccccn3)CC2)cc1 ZINC000012037189 556390243 /nfs/dbraw/zinc/39/02/43/556390243.db2.gz BJFAZFOCMLVYLW-UHFFFAOYSA-N 1 0 432.543 3.952 50 0 IHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2nccc(-c3ccccc3F)n2)c1C(C)C ZINC000012047674 556391709 /nfs/dbraw/zinc/39/17/09/556391709.db2.gz WCOVICDXVWVMEJ-QGZVFWFLSA-N 1 0 436.535 3.806 50 0 IHAARO C/C(=C\c1ccccc1)C[N@H+]1CCc2nnc([C@@H](NC(=O)c3ccccn3)C(C)C)n2CC1 ZINC000012055205 556393751 /nfs/dbraw/zinc/39/37/51/556393751.db2.gz QXAMPUZGJJTYOK-ARHOYUFESA-N 1 0 444.583 3.762 50 0 IHAARO COc1ccc([C@H](CNC(=O)Cc2c(C)nn(-c3ccccc3)c2C)[NH+]2CCCC2)cc1 ZINC000014240684 556401151 /nfs/dbraw/zinc/40/11/51/556401151.db2.gz SBWRMSIIAMDRSW-VWLOTQADSA-N 1 0 432.568 3.994 50 0 IHAARO O=C(CCN1CC[NH+](Cc2cccs2)CC1)Nc1ccc(Br)cc1F ZINC000022932094 556404492 /nfs/dbraw/zinc/40/44/92/556404492.db2.gz SPWTWAOFXWCHAZ-UHFFFAOYSA-N 1 0 426.355 3.796 50 0 IHAARO CC(C)C[N@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H](C(=O)NCCOc2ccccc2)C1 ZINC000014530589 556420396 /nfs/dbraw/zinc/42/03/96/556420396.db2.gz UZUSVCRIXLZWSD-VQTJNVASSA-N 1 0 441.547 3.554 50 0 IHAARO COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](CC1CCCCC1)CC2 ZINC000014533516 556421939 /nfs/dbraw/zinc/42/19/39/556421939.db2.gz RGFUXSZFLWACDH-UHFFFAOYSA-N 1 0 427.589 3.902 50 0 IHAARO CCCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@H+](Cc2ccc(O)cc2)C1 ZINC000014535412 556423122 /nfs/dbraw/zinc/42/31/22/556423122.db2.gz LDWKFRYSDULADD-RBUKOAKNSA-N 1 0 427.520 3.524 50 0 IHAARO COc1cccc(CN2C(=O)N(CCC(C)C)C3(CC[NH+](C4CCOCC4)CC3)C2=O)c1 ZINC000014535345 556423212 /nfs/dbraw/zinc/42/32/12/556423212.db2.gz VHLSRRUHFHLGBI-UHFFFAOYSA-N 1 0 443.588 3.519 50 0 IHAARO CCc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2C)cc1 ZINC000012981877 556424860 /nfs/dbraw/zinc/42/48/60/556424860.db2.gz LDCPHRPZILFIIZ-SFHVURJKSA-N 1 0 431.602 3.877 50 0 IHAARO CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000004409771 556435848 /nfs/dbraw/zinc/43/58/48/556435848.db2.gz DMQYAEWXDYMUSW-UHFFFAOYSA-N 1 0 426.557 3.973 50 0 IHAARO O=C1N(Cc2ccccn2)C(=O)C2(CC[NH+](Cc3ccco3)CC2)N1Cc1ccccc1 ZINC000014743046 556439714 /nfs/dbraw/zinc/43/97/14/556439714.db2.gz UKQWFPPEGDMABI-UHFFFAOYSA-N 1 0 430.508 3.674 50 0 IHAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H]([NH2+]CCc1ccccc1Cl)CC2 ZINC000014743991 556440010 /nfs/dbraw/zinc/44/00/10/556440010.db2.gz XMUVDOHRSIUOTH-QGZVFWFLSA-N 1 0 426.948 3.628 50 0 IHAARO C[NH+](C)Cc1cc(-c2ncccn2)ccc1OCC(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000014955992 556462307 /nfs/dbraw/zinc/46/23/07/556462307.db2.gz HJTGZCWNFPXRLC-UHFFFAOYSA-N 1 0 444.457 3.919 50 0 IHAARO COc1ccc([C@@H](CNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)[NH+](C)C)cc1 ZINC000028932345 556464432 /nfs/dbraw/zinc/46/44/32/556464432.db2.gz ZOMANXYAYBGNLA-IEBWSBKVSA-N 1 0 433.961 3.571 50 0 IHAARO O=C(C[NH+]1CCC(C(=O)NCc2ccccc2)CC1)NC1c2ccccc2-c2ccccc21 ZINC000029116219 556467784 /nfs/dbraw/zinc/46/77/84/556467784.db2.gz IERORDVYHDGZHB-UHFFFAOYSA-N 1 0 439.559 3.901 50 0 IHAARO COC(=O)c1ccc(-c2cc(Cl)cc3c2O[C@H](CNC(=O)[C@@H]2CCC[N@H+](C)C2)C3)cc1 ZINC000014990492 556474687 /nfs/dbraw/zinc/47/46/87/556474687.db2.gz PICGRHHWTZQRLR-XLIONFOSSA-N 1 0 442.943 3.555 50 0 IHAARO COc1ccc(OC)c(-c2cc3c(c(Cl)c2)O[C@H](CNC(=O)C[NH+]2CCCC2)C3)c1 ZINC000014992834 556475797 /nfs/dbraw/zinc/47/57/97/556475797.db2.gz HTOAPJUBPIBNDW-SFHVURJKSA-N 1 0 430.932 3.540 50 0 IHAARO CCOc1ccccc1C[NH+]1CCC(Oc2cc(OC)ccc2C(=O)NCCOC)CC1 ZINC000015064549 556492149 /nfs/dbraw/zinc/49/21/49/556492149.db2.gz KGUGQFUXORDKBQ-UHFFFAOYSA-N 1 0 442.556 3.514 50 0 IHAARO COc1ccc(-c2nc(CC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)cs2)cc1OC ZINC000032986413 556606074 /nfs/dbraw/zinc/60/60/74/556606074.db2.gz BTZFYFCMVLPEER-LJQANCHMSA-N 1 0 437.565 3.761 50 0 IHAARO CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCCC[NH+]4CCCCC4)C3)sc2c1 ZINC000005106186 556635529 /nfs/dbraw/zinc/63/55/29/556635529.db2.gz SYXRVWBAJTYQCF-GOSISDBHSA-N 1 0 430.618 3.904 50 0 IHAARO CC[NH+](CC)CCN(C(=O)Cc1ccccc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000005122075 556638074 /nfs/dbraw/zinc/63/80/74/556638074.db2.gz DIHLWYZIFLCBAA-UHFFFAOYSA-N 1 0 425.554 3.985 50 0 IHAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)[nH+]1 ZINC000017012297 556652675 /nfs/dbraw/zinc/65/26/75/556652675.db2.gz ISZCXGQPKGDJGY-UHFFFAOYSA-N 1 0 433.478 3.757 50 0 IHAARO CC(C)Cc1nnc(C(=O)Nc2ccc(C(=O)NCC[N@@H+]3CCCC[C@H]3C)cc2)s1 ZINC000033011327 556659787 /nfs/dbraw/zinc/65/97/87/556659787.db2.gz BYRUHMPYWLUIAY-MRXNPFEDSA-N 1 0 429.590 3.593 50 0 IHAARO CCCC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248107973 556662988 /nfs/dbraw/zinc/66/29/88/556662988.db2.gz RJARQQYINIACDN-NTKDMRAZSA-N 1 0 439.625 3.863 50 0 IHAARO CC[NH+]1CCN(c2ccc(NC(=O)CCCNC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000011947859 556676175 /nfs/dbraw/zinc/67/61/75/556676175.db2.gz HVZKPVYZGTWZLM-UHFFFAOYSA-N 1 0 428.964 3.631 50 0 IHAARO CCCCC[N@H+](Cn1c2cc(S(=O)(=O)N3CCOCC3)ccc2oc1=S)C(C)C ZINC000032935419 556678131 /nfs/dbraw/zinc/67/81/31/556678131.db2.gz IIAQLVLXZLCNAU-UHFFFAOYSA-N 1 0 441.619 3.843 50 0 IHAARO CCCc1nnc(C(=O)Nc2cccc(C(=O)NCCC[NH+]3CCCCCC3)c2)s1 ZINC000033022770 556687881 /nfs/dbraw/zinc/68/78/81/556687881.db2.gz OTFFXTJWYZTIOM-UHFFFAOYSA-N 1 0 429.590 3.739 50 0 IHAARO CCOc1ccc(CN2CCC[C@@H]([N@H+](C)CCc3ccc(OC)c(OC)c3)C2)cc1CO ZINC000019224427 556716526 /nfs/dbraw/zinc/71/65/26/556716526.db2.gz XYUFAQHWQPANRN-HSZRJFAPSA-N 1 0 442.600 3.734 50 0 IHAARO CCC[NH+]1CCN(C(=O)c2ccc(-n3nc(C)c(-c4ccccc4)c3NC(C)=O)cc2)CC1 ZINC000033037079 556721569 /nfs/dbraw/zinc/72/15/69/556721569.db2.gz TZBDZHBQETWCAE-UHFFFAOYSA-N 1 0 445.567 3.974 50 0 IHAARO COc1ccccc1CCC(=O)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055090631 556734379 /nfs/dbraw/zinc/73/43/79/556734379.db2.gz WCRFVOFSIDYQGH-QHCPKHFHSA-N 1 0 425.548 3.580 50 0 IHAARO COc1ccc(NC(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4OC)CC3)C2)c(C)c1 ZINC000055107929 556734891 /nfs/dbraw/zinc/73/48/91/556734891.db2.gz WKYYZXWSHNGVED-FQEVSTJZSA-N 1 0 438.572 3.831 50 0 IHAARO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)CCc3cccc(F)c3)C2)CC1 ZINC000055132971 556735630 /nfs/dbraw/zinc/73/56/30/556735630.db2.gz VGQKSMIURLIOEX-JOCHJYFZSA-N 1 0 425.548 3.580 50 0 IHAARO Cc1cc(OCC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c2c(c1)oc(=O)c1c2CCCC1 ZINC000079189590 556738384 /nfs/dbraw/zinc/73/83/84/556738384.db2.gz QUWYZSAOZTZYLN-GHTZIAJQSA-N 1 0 438.568 3.740 50 0 biogenic IHAARO COc1ccc(CNC(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019367775 556746254 /nfs/dbraw/zinc/74/62/54/556746254.db2.gz AXCUSJYWTYWUBJ-UHFFFAOYSA-N 1 0 429.564 3.719 50 0 IHAARO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CCN1CC[NH+](C2CCCCC2)CC1 ZINC000019371810 556748460 /nfs/dbraw/zinc/74/84/60/556748460.db2.gz FDZVUOCOEGXCBN-UHFFFAOYSA-N 1 0 446.979 3.887 50 0 IHAARO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@H](C)N1CC[NH+](C2CCCCC2)CC1 ZINC000019372535 556749059 /nfs/dbraw/zinc/74/90/59/556749059.db2.gz GCBHFBYAXBDXFB-HNNXBMFYSA-N 1 0 446.979 3.885 50 0 IHAARO CN(C[C@H]1CCCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC000058080051 556756617 /nfs/dbraw/zinc/75/66/17/556756617.db2.gz PFLAUIRUKZRSSJ-RTBURBONSA-N 1 0 434.581 3.705 50 0 IHAARO O=C(NC[C@@H]([C@H]1CCOC1)[NH+]1CCCC1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000058167345 556767164 /nfs/dbraw/zinc/76/71/64/556767164.db2.gz ASJZOEWOQOKTKL-LPHOPBHVSA-N 1 0 428.558 3.623 50 0 IHAARO CCCN(C(=O)Nc1cccc(-c2nnnn2C)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058201650 556771210 /nfs/dbraw/zinc/77/12/10/556771210.db2.gz BVYPQXSFPUOYLP-JOCHJYFZSA-N 1 0 433.560 3.786 50 0 IHAARO Cc1cc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)nc(N2CCCC2)[nH+]1 ZINC000064800114 556827144 /nfs/dbraw/zinc/82/71/44/556827144.db2.gz DVRJTNHVMWSSKK-UHFFFAOYSA-N 1 0 434.466 3.758 50 0 IHAARO c1c(CN2CCN(c3cc[nH+]cc3)CC2)c(-c2ccc3c(c2)OCO3)nn1-c1ccccc1 ZINC000067723936 556846340 /nfs/dbraw/zinc/84/63/40/556846340.db2.gz LGNAAVIOERPGGX-UHFFFAOYSA-N 1 0 439.519 3.985 50 0 IHAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000033131256 556871706 /nfs/dbraw/zinc/87/17/06/556871706.db2.gz HJCCSDAMVYDILY-KRWDZBQOSA-N 1 0 442.025 3.509 50 0 IHAARO CC[NH+]1CCN(CCNC(=O)c2ccc(Nc3cc(-c4ccc(C)cc4)ncn3)cc2)CC1 ZINC000033261268 556898744 /nfs/dbraw/zinc/89/87/44/556898744.db2.gz HJYFEDBTMYEAPP-UHFFFAOYSA-N 1 0 444.583 3.563 50 0 IHAARO O=C(COc1ccc(Cl)cc1)N1CCC([NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000019888803 556938572 /nfs/dbraw/zinc/93/85/72/556938572.db2.gz RTOXDPXFZVDSMY-UHFFFAOYSA-N 1 0 427.976 3.528 50 0 IHAARO COc1cc(C[NH2+]CCN(C)C)cc(I)c1OCc1ccccc1 ZINC000019922808 556943998 /nfs/dbraw/zinc/94/39/98/556943998.db2.gz JOOOKCXEKFFGLN-UHFFFAOYSA-N 1 0 440.325 3.530 50 0 IHAARO CSc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccccc3)c2=O)N2CC[NH+](C)CC2)cc1 ZINC000023086432 556997296 /nfs/dbraw/zinc/99/72/96/556997296.db2.gz QJVQNXJBPUUKAH-VWLOTQADSA-N 1 0 449.620 3.969 50 0 IHAARO CCN1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2ccccc2OCCO)C[C@@]1(C)CO ZINC000020204409 556997921 /nfs/dbraw/zinc/99/79/21/556997921.db2.gz JHYAODPNTQGTLI-QDSKXPNFSA-N 1 0 432.992 3.635 50 0 IHAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl ZINC000048299559 557061621 /nfs/dbraw/zinc/06/16/21/557061621.db2.gz LOIRNHSRNSDYII-MRXNPFEDSA-N 1 0 432.030 3.609 50 0 IHAARO Cc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)c4cc(F)ccc4F)n3CC2)c(C)c1 ZINC000023130295 557066853 /nfs/dbraw/zinc/06/68/53/557066853.db2.gz XQSJAJZELPKLMF-QGZVFWFLSA-N 1 0 439.510 3.722 50 0 IHAARO O=S(=O)(NCC[NH+]1CCCCCC1)c1ccccc1-c1nc(-c2cccc(F)c2)no1 ZINC000033307187 557086433 /nfs/dbraw/zinc/08/64/33/557086433.db2.gz ABDVTOVETNURAN-UHFFFAOYSA-N 1 0 444.532 3.697 50 0 IHAARO CC[N@@H+]1CCc2nc(-c3ccc(F)cc3)n(CC(=O)Nc3cc(F)ccc3C)c(=O)c2C1 ZINC000049400676 557096338 /nfs/dbraw/zinc/09/63/38/557096338.db2.gz WHAAVARNJFOCSV-UHFFFAOYSA-N 1 0 438.478 3.514 50 0 IHAARO C[N@H+](CC(=O)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)[C@H]1CCCc2ccccc21 ZINC000049573726 557113566 /nfs/dbraw/zinc/11/35/66/557113566.db2.gz RZOXPHAJAHPADT-IFRHDIGASA-N 1 0 449.576 3.849 50 0 IHAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000007978481 557230343 /nfs/dbraw/zinc/23/03/43/557230343.db2.gz GARCYQAMRPGMJG-HXUWFJFHSA-N 1 0 426.586 3.945 50 0 IHAARO COc1cc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc(OC)c1OCc1ccccc1 ZINC000025973317 557231287 /nfs/dbraw/zinc/23/12/87/557231287.db2.gz VVEBGJHTCCNDTE-OALUTQOASA-N 1 0 442.556 3.512 50 0 IHAARO CNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccccc2C(F)(F)F)CN1Cc1ccccc1Cl ZINC000023361599 557350956 /nfs/dbraw/zinc/35/09/56/557350956.db2.gz MMKIPSKPTMWVBB-LPHOPBHVSA-N 1 0 425.882 3.838 50 0 IHAARO CNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccccc2C(F)(F)F)CN1Cc1cccc(Cl)c1 ZINC000023358647 557350974 /nfs/dbraw/zinc/35/09/74/557350974.db2.gz WFBJEWBLEGRTNR-HKUYNNGSSA-N 1 0 425.882 3.838 50 0 IHAARO CCn1c(C)cc(O)c([C@H](c2cccc(OC)c2)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000024022797 557391159 /nfs/dbraw/zinc/39/11/59/557391159.db2.gz IXOZAULWMLRURP-VWLOTQADSA-N 1 0 433.552 3.802 50 0 IHAARO CCn1c(C)cc(O)c([C@@H](c2ccc(OC)cc2)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000024022787 557391210 /nfs/dbraw/zinc/39/12/10/557391210.db2.gz CJSAMEQKHINHGH-RUZDIDTESA-N 1 0 433.552 3.802 50 0 IHAARO Cc1cc(=O)c(OCc2ccccc2)cn1CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000072403791 557395654 /nfs/dbraw/zinc/39/56/54/557395654.db2.gz NPIIHGMWOCEDHD-UHFFFAOYSA-N 1 0 445.563 3.517 50 0 IHAARO Cc1cccc(N2CC[N@@H+](C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@H]34)C[C@H]2C)c1 ZINC000105372143 557496692 /nfs/dbraw/zinc/49/66/92/557496692.db2.gz XZCQJZYHYNIVDU-CMPNRMHDSA-N 1 0 438.612 3.791 50 0 biogenic IHAARO O=C(c1ccc(Cn2ccccc2=O)o1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000107525199 557536128 /nfs/dbraw/zinc/53/61/28/557536128.db2.gz RCTGAWVVXCJCAZ-FYYLOGMGSA-N 1 0 431.536 3.616 50 0 IHAARO C[C@@](O)(CN1Cc2ccccc2C1=O)c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000225508330 557731933 /nfs/dbraw/zinc/73/19/33/557731933.db2.gz MZWFLMNXPMEZHA-RUZDIDTESA-N 1 0 432.524 3.586 50 0 IHAARO C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000242302194 557847581 /nfs/dbraw/zinc/84/75/81/557847581.db2.gz YQIQWAGRBBNPKN-JCURWCKSSA-N 1 0 431.346 3.996 50 0 IHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)[C@@H](N2CCCCC2)S3)C1 ZINC000008015923 562948769 /nfs/dbraw/zinc/94/87/69/562948769.db2.gz IDTSOTQCVWNYBM-RHGYRFJNSA-N 1 0 444.645 3.641 50 0 IHAARO Cc1ccc(-n2nnnc2SCC(=O)NCC2([NH+]3CCCCC3)CCCCC2)c(C)c1 ZINC000009723341 562976063 /nfs/dbraw/zinc/97/60/63/562976063.db2.gz CAPMHUCLQLJTDK-UHFFFAOYSA-N 1 0 442.633 3.676 50 0 IHAARO CCOc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc4c(c3)OCCO4)nc21 ZINC000010065837 562978344 /nfs/dbraw/zinc/97/83/44/562978344.db2.gz GUEJZPIBPZKHNG-UHFFFAOYSA-N 1 0 427.526 3.675 50 0 IHAARO CC(C)COC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984729 568623531 /nfs/dbraw/zinc/62/35/31/568623531.db2.gz JQEZIMAUEPLQFF-XZOQPEGZSA-N 1 0 432.511 3.994 50 0 IHAARO COc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3cc(C)oc3C)CC2)cc1Cl ZINC000043954339 568744278 /nfs/dbraw/zinc/74/42/78/568744278.db2.gz XECOHYUATYERJA-UHFFFAOYSA-N 1 0 426.966 3.749 50 0 IHAARO COc1ccc2c(C)nc(N3CCC([NH2+]CC[C@H]4COc5ccccc5O4)CC3)nc2c1 ZINC000299759869 568755665 /nfs/dbraw/zinc/75/56/65/568755665.db2.gz OIBMKOUXDFXDNJ-FQEVSTJZSA-N 1 0 434.540 3.735 50 0 IHAARO Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC[C@H]3CC[N@@H+](CC(C)C)C3)c2)c1 ZINC000084211142 568796212 /nfs/dbraw/zinc/79/62/12/568796212.db2.gz MAIUFDRCDWILQU-HXUWFJFHSA-N 1 0 443.613 3.812 50 0 IHAARO Cc1cccc(C[NH+]2CCC(CNC(=O)c3ccc4c(c3)nc3n(c4=O)CCCC3)CC2)c1 ZINC000015677527 568804598 /nfs/dbraw/zinc/80/45/98/568804598.db2.gz OEWKJCHZHMUIGC-UHFFFAOYSA-N 1 0 444.579 3.683 50 0 IHAARO O=C1CCSc2ccc(S(=O)(=O)NCc3ccc(C[NH+]4CCCCCC4)o3)cc2N1 ZINC000015731060 568814355 /nfs/dbraw/zinc/81/43/55/568814355.db2.gz ADJLPLZOLDIUKM-UHFFFAOYSA-N 1 0 449.598 3.568 50 0 IHAARO CC(=O)N1c2ccccc2C[C@H]1C(=O)NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000015773300 568823053 /nfs/dbraw/zinc/82/30/53/568823053.db2.gz WRENLMIXUDSWPS-QHCPKHFHSA-N 1 0 425.960 3.646 50 0 IHAARO CCOC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000241213335 568912068 /nfs/dbraw/zinc/91/20/68/568912068.db2.gz KOERXQFXIBCHEW-IRLDBZIGSA-N 1 0 441.524 3.601 50 0 IHAARO CC[N@@H+]1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)[N-]C(=O)N(c4ccccc4)C3=O)[C@H]2C1 ZINC000245325971 568915062 /nfs/dbraw/zinc/91/50/62/568915062.db2.gz IIWDOUYSHMKYQW-XXBNENTESA-N 1 0 438.915 3.516 50 0 IHAARO Cc1ccc(-c2noc(-c3cccc(S(=O)(=O)NCC[NH+]4CCC(C)CC4)c3)n2)cc1 ZINC000064610951 568939954 /nfs/dbraw/zinc/93/99/54/568939954.db2.gz LQLRZMPOUAJWGM-UHFFFAOYSA-N 1 0 440.569 3.722 50 0 IHAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2nc(-c3ccc(N4CCCCCC4)cc3)no2)C1 ZINC000064746589 568949756 /nfs/dbraw/zinc/94/97/56/568949756.db2.gz PZXLVSZBRKQWPS-IBGZPJMESA-N 1 0 425.577 3.969 50 0 IHAARO CC(C)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C[C@@H](C)O ZINC000036309561 568996379 /nfs/dbraw/zinc/99/63/79/568996379.db2.gz RVOIEJHYSPVKGM-UTKZUKDTSA-N 1 0 434.577 3.731 50 0 IHAARO Cc1cccc(-c2noc(N3CCOCC3)c2CN(CC[NH+](C)C)C(=O)c2ccccc2)c1 ZINC000036314325 568998359 /nfs/dbraw/zinc/99/83/59/568998359.db2.gz JEMNJGVRDQTPPJ-UHFFFAOYSA-N 1 0 448.567 3.691 50 0 IHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2ccccc2OC)CC1 ZINC000036341371 569079398 /nfs/dbraw/zinc/07/93/98/569079398.db2.gz DCCDMZCMYZZXMX-DEOSSOPVSA-N 1 0 434.584 3.627 50 0 IHAARO CN1c2ccccc2[C@@]2(Nc3ccccc3C(=O)N2C[C@H](c2ccccc2)[NH+](C)C)C1=O ZINC000036353973 569084025 /nfs/dbraw/zinc/08/40/25/569084025.db2.gz ZUMVUJUNFASJBG-BVAGGSTKSA-N 1 0 426.520 3.687 50 0 IHAARO C[N@H+](CCNC(=O)c1c2c(cn(-c3ccccc3)c1=O)C(=O)CC(C)(C)C2)C1CCCCC1 ZINC000065000777 569085990 /nfs/dbraw/zinc/08/59/90/569085990.db2.gz PCQGSPMMUCKBPY-UHFFFAOYSA-N 1 0 449.595 3.987 50 0 IHAARO CCc1nc2c(c(=O)n1CC(=O)Nc1cc(C)ccc1C)C[N@H+](Cc1ccccc1)CC2 ZINC000065153555 569112025 /nfs/dbraw/zinc/11/20/25/569112025.db2.gz GTKRCSPKEHJEII-UHFFFAOYSA-N 1 0 430.552 3.620 50 0 IHAARO Cc1cc(C)c2c(n1)nc(C(=O)N1CCC([NH+]3CCCCC3)CC1)nc2N1CCCCC1 ZINC000065232023 569118584 /nfs/dbraw/zinc/11/85/84/569118584.db2.gz JOCOWMJPOYXSNG-UHFFFAOYSA-N 1 0 436.604 3.722 50 0 IHAARO CCOCCOCc1cccc(NC(=O)N2C[C@@H](CC)[N@H+](CC(C)(C)O)C[C@H]2CC)c1 ZINC000170619521 569147601 /nfs/dbraw/zinc/14/76/01/569147601.db2.gz MWMKNYZIZPTRMX-FGZHOGPDSA-N 1 0 435.609 3.717 50 0 IHAARO C[NH+](C)[C@@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cccc(F)c1 ZINC000014072508 569157700 /nfs/dbraw/zinc/15/77/00/569157700.db2.gz QNRSVASYNLYNAX-IBGZPJMESA-N 1 0 438.469 3.875 50 0 IHAARO Cc1nc2cc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)nc3)ccc2n1-c1ccccc1 ZINC000014519730 569159227 /nfs/dbraw/zinc/15/92/27/569159227.db2.gz XNUQRVHOVVTBOT-UHFFFAOYSA-N 1 0 426.524 3.733 50 0 IHAARO CCOC(=O)c1c(NC(=O)CC[NH2+][C@H](C(N)=O)[C@H](C)CC)sc(C)c1-c1ccccc1 ZINC000089942170 569168403 /nfs/dbraw/zinc/16/84/03/569168403.db2.gz SXQNIIMZCNPLJO-VLIAUNLRSA-N 1 0 445.585 3.718 50 0 IHAARO CC[C@](C)(COc1ncccc1Cl)[NH2+]CC(=O)NCCc1nc2ccccc2s1 ZINC000089942111 569168454 /nfs/dbraw/zinc/16/84/54/569168454.db2.gz LLAUDMMFJOASRJ-OAQYLSRUSA-N 1 0 432.977 3.841 50 0 IHAARO Cn1nc2nc(NCC[NH+]3CCCC3)nc(-c3cccc(Oc4ccccc4)c3)c2c1N ZINC000037376818 569185601 /nfs/dbraw/zinc/18/56/01/569185601.db2.gz LZHGGEGWPDHYKE-UHFFFAOYSA-N 1 0 429.528 3.913 50 0 IHAARO COc1cccc(C(=O)N(Cc2ccccc2)c2cccc(CC(=O)NCC[NH+](C)C)c2)c1 ZINC000037600884 569202278 /nfs/dbraw/zinc/20/22/78/569202278.db2.gz MFKHWIQLKBAEPC-UHFFFAOYSA-N 1 0 445.563 3.763 50 0 IHAARO Cc1ccc(C)c(N2CC[NH+](C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@@H](C)[C@@]5(C)[C@@H](O)[C@H]34)CC2)c1 ZINC000252694517 569210881 /nfs/dbraw/zinc/21/08/81/569210881.db2.gz LSGWJALQGUMIRM-YDRLPJHNSA-N 1 0 438.612 3.710 50 0 biogenic IHAARO Cc1cccc(N2CC[N@@H+](C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@@]5(C)[C@@H](O)[C@H]34)C[C@@H]2C)c1 ZINC000252695299 569211109 /nfs/dbraw/zinc/21/11/09/569211109.db2.gz XZCQJZYHYNIVDU-QGYQMHAMSA-N 1 0 438.612 3.791 50 0 biogenic IHAARO COc1ccccc1N1CC[NH+](CCCCN2C(=O)COc3ccc(Cl)cc32)CC1 ZINC000221529709 569259060 /nfs/dbraw/zinc/25/90/60/569259060.db2.gz DIFSQIVJMIPLPO-UHFFFAOYSA-N 1 0 429.948 3.676 50 0 IHAARO C[NH+](C)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(Br)cc1 ZINC000002428111 569302753 /nfs/dbraw/zinc/30/27/53/569302753.db2.gz NPYWQLDQNBCNII-SFHVURJKSA-N 1 0 427.298 3.662 50 0 IHAARO O[C@@H](COc1ccccc1F)C[NH+](Cc1ccccc1)C[C@@H](O)COc1ccccc1F ZINC000013149376 569312125 /nfs/dbraw/zinc/31/21/25/569312125.db2.gz FKJSKAPZBGYQLJ-NHCUHLMSSA-N 1 0 443.490 3.647 50 0 IHAARO CCOC(=O)C1C(C[N@H+](C)C2CCCCC2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214652 569356509 /nfs/dbraw/zinc/35/65/09/569356509.db2.gz CAYIJTCVLCQPDW-JOCHJYFZSA-N 1 0 429.561 3.909 50 0 IHAARO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000095408313 569364750 /nfs/dbraw/zinc/36/47/50/569364750.db2.gz HLRPZXPQAACJEJ-KRWDZBQOSA-N 1 0 430.936 3.663 50 0 IHAARO CCn1cc(/C=C(\NC(=O)c2ccccc2)C(=O)NCC[NH+](CC)CC)c2ccccc21 ZINC000020438752 569365562 /nfs/dbraw/zinc/36/55/62/569365562.db2.gz JGSRIYWGYGLINC-NKFKGCMQSA-N 1 0 432.568 3.890 50 0 IHAARO CCc1nc2ccc(C(=O)NCCCN3CC[NH+](Cc4ccccc4)CC3)cc2nc1CC ZINC000020616504 569374646 /nfs/dbraw/zinc/37/46/46/569374646.db2.gz YWCUNDIVDQIJRF-UHFFFAOYSA-N 1 0 445.611 3.692 50 0 IHAARO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCc1nnc(C(=O)NCc2ccc(C)cc2)s1 ZINC000095946106 569376098 /nfs/dbraw/zinc/37/60/98/569376098.db2.gz AMJMOUZGVXPIDZ-UXHICEINSA-N 1 0 429.634 3.767 50 0 IHAARO CCSc1ccccc1C(=O)NCc1nn(CC[NH+]2CCCC2)c(=O)c2ccccc12 ZINC000096024227 569380503 /nfs/dbraw/zinc/38/05/03/569380503.db2.gz GZBTVKSRMMHLBK-UHFFFAOYSA-N 1 0 436.581 3.534 50 0 IHAARO O=C(NCCNc1cc(N2CCCC2)cn[nH+]1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000096120943 569385071 /nfs/dbraw/zinc/38/50/71/569385071.db2.gz QOSPGZMPSGJDNL-UHFFFAOYSA-N 1 0 428.846 3.983 50 0 IHAARO CN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1ccccc1-n1cnc2ccccc2c1=O ZINC000299754352 569408912 /nfs/dbraw/zinc/40/89/12/569408912.db2.gz CITZPTFMUNOEFX-AUSIDOKSSA-N 1 0 430.552 3.722 50 0 biogenic IHAARO Cc1c(O)ccc2c(C)c(CCC(=O)N(C)C[C@H]3CCC[N@@H+]4CCCC[C@@H]34)c(=O)oc12 ZINC000299754463 569409036 /nfs/dbraw/zinc/40/90/36/569409036.db2.gz RPJDHOMFOULMDT-NQIIRXRSSA-N 1 0 426.557 3.771 50 0 biogenic IHAARO COc1ccccc1N1CCN([C@@H](CNC(=O)c2ccc(F)cc2)c2cccnc2)CC1 ZINC000056896209 569427406 /nfs/dbraw/zinc/42/74/06/569427406.db2.gz UBHSDGGRSCYUEY-QHCPKHFHSA-N 1 0 434.515 3.523 50 0 IHAARO COc1ccccc1N1CCN([C@H](CNC(=O)c2ccc(F)cc2)c2cccnc2)CC1 ZINC000056896211 569427415 /nfs/dbraw/zinc/42/74/15/569427415.db2.gz UBHSDGGRSCYUEY-HSZRJFAPSA-N 1 0 434.515 3.523 50 0 IHAARO CC[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CCC[NH+]1CCC(C)CC1 ZINC000002971949 569433503 /nfs/dbraw/zinc/43/35/03/569433503.db2.gz KFMFEAFTWIVDLT-SFHVURJKSA-N 1 0 430.618 3.525 50 0 IHAARO CC(C)C[NH+](CCCNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O)CC(C)C ZINC000003006016 569435158 /nfs/dbraw/zinc/43/51/58/569435158.db2.gz RCYLWSGDKAWXSB-UHFFFAOYSA-N 1 0 432.996 3.684 50 0 IHAARO CC[C@H]1C[N@H+](CC(C)(C)O)[C@@H](CC)CN1C(=O)c1cccc(Cn2nc(C)cc2C)c1 ZINC000230286523 569440645 /nfs/dbraw/zinc/44/06/45/569440645.db2.gz UBLUOPBACAMGHG-GOTSBHOMSA-N 1 0 426.605 3.634 50 0 IHAARO O=C(CN1c2cccnc2Sc2ccccc2C1=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000015677989 569442579 /nfs/dbraw/zinc/44/25/79/569442579.db2.gz DTOJFRQFGBWSAO-UHFFFAOYSA-N 1 0 436.581 3.670 50 0 IHAARO C[C@H](NC(=O)c1cc(Br)ccc1F)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000058159517 569449075 /nfs/dbraw/zinc/44/90/75/569449075.db2.gz ZNILFNPMZNAQBO-ZDUSSCGKSA-N 1 0 438.316 3.970 50 0 IHAARO COc1ccc(CCNC(=S)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1 ZINC000007988157 569462042 /nfs/dbraw/zinc/46/20/42/569462042.db2.gz MUTYCKJJTBVXNH-QHCPKHFHSA-N 1 0 427.614 3.938 50 0 IHAARO COc1ccc(CCNC(=S)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1 ZINC000007988158 569462054 /nfs/dbraw/zinc/46/20/54/569462054.db2.gz MUTYCKJJTBVXNH-HSZRJFAPSA-N 1 0 427.614 3.938 50 0 IHAARO C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2o1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008734778 569472567 /nfs/dbraw/zinc/47/25/67/569472567.db2.gz HRTKOYMCWMHMPW-DLBZAZTESA-N 1 0 441.553 3.895 50 0 IHAARO C[C@@H]([NH2+][C@H](C)c1cc2ccccc2o1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008734779 569472573 /nfs/dbraw/zinc/47/25/73/569472573.db2.gz HRTKOYMCWMHMPW-IAGOWNOFSA-N 1 0 441.553 3.895 50 0 IHAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CCCCCN1C(=O)c2ccccc2C1=O ZINC000008874181 569481009 /nfs/dbraw/zinc/48/10/09/569481009.db2.gz OSFQUYGPCXYOTG-VWNXMTODSA-N 1 0 445.563 3.986 50 0 IHAARO CCOC(=O)C[C@@H](c1ccccc1)C1CC[NH+](CC(=O)NC(=O)NC2CCCCC2)CC1 ZINC000040139330 569490851 /nfs/dbraw/zinc/49/08/51/569490851.db2.gz GNNHFBGLUKPGIE-QFIPXVFZSA-N 1 0 443.588 3.594 50 0 IHAARO CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)cc1 ZINC000040160693 569495145 /nfs/dbraw/zinc/49/51/45/569495145.db2.gz GZNFRCKLBVELQI-ISKFKSNPSA-N 1 0 430.564 3.526 50 0 IHAARO Cc1cc(N2CCC(CNS(=O)(=O)Cc3ccc(C(F)(F)F)cc3)CC2)cc[nH+]1 ZINC000245060731 569497100 /nfs/dbraw/zinc/49/71/00/569497100.db2.gz PYQLZSBHUBTGNC-UHFFFAOYSA-N 1 0 427.492 3.745 50 0 IHAARO CCCSc1nn(CC[NH+](C)C)c2nc3scc(-c4ccc(OC)cc4)c3c(=O)n12 ZINC000040267592 569497475 /nfs/dbraw/zinc/49/74/75/569497475.db2.gz HXHFTJSNSNUPLG-UHFFFAOYSA-N 1 0 443.598 3.845 50 0 IHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000245326189 569503622 /nfs/dbraw/zinc/50/36/22/569503622.db2.gz FFZFHXXZJAAICC-QPPBQGQZSA-N 1 0 448.696 3.506 50 0 IHAARO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc2c(c1)OCCCO2 ZINC000009253103 569516135 /nfs/dbraw/zinc/51/61/35/569516135.db2.gz CGVLKAWFMSBDET-XMMPIXPASA-N 1 0 437.540 3.666 50 0 IHAARO Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCC[NH+](C)C)OC1(CCCCC1)CC3 ZINC000009305841 569521266 /nfs/dbraw/zinc/52/12/66/569521266.db2.gz JWZGKKXBEWNWDL-UHFFFAOYSA-N 1 0 426.557 3.740 50 0 IHAARO CCC[NH+](CCC)CCCNC(=O)[C@@H]1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000009431607 569534239 /nfs/dbraw/zinc/53/42/39/569534239.db2.gz UJJXDDVNOFEZLO-HXUWFJFHSA-N 1 0 443.592 3.590 50 0 IHAARO COc1ccc2c(C)c(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(=O)oc2c1C ZINC000009450861 569536346 /nfs/dbraw/zinc/53/63/46/569536346.db2.gz UTINTFGBWDFMDH-UHFFFAOYSA-N 1 0 434.536 3.742 50 0 IHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CSc2cc(=O)n(C)c3cc(Cl)ccc23)C1 ZINC000009692085 569561085 /nfs/dbraw/zinc/56/10/85/569561085.db2.gz RNCUKWDRNZYMTN-IYBDPMFKSA-N 1 0 436.021 3.768 50 0 IHAARO CC[NH+](CC)CCNC(=O)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1 ZINC000009731635 569564630 /nfs/dbraw/zinc/56/46/30/569564630.db2.gz OJHAPXPXYMRWLX-UHFFFAOYSA-N 1 0 433.357 3.632 50 0 IHAARO COc1ccc(-c2csc(N(CC(=O)NCC[NH+](C)C)c3ccc(OC)cc3)n2)cc1 ZINC000037438478 569588054 /nfs/dbraw/zinc/58/80/54/569588054.db2.gz JGYRZDUMRDTCPY-UHFFFAOYSA-N 1 0 440.569 3.643 50 0 IHAARO