smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1c2ccccc2nc(C[n+]2ccccc2)n1-c1c(Cl)cccc1Cl ZINC000003027585 817412038 /nfs/dbraw/zinc/41/20/38/817412038.db2.gz OCQUMFCNDQTVEU-UHFFFAOYSA-N 1 0 383.258 4.028 40 0 GIABRO Cc1[nH]c2cc(C)ccc2c1[C@@H](O)C[N@@H+]1CCC[C@@](O)(c2ccc(F)cc2)CC1 ZINC000012251876 818149586 /nfs/dbraw/zinc/14/95/86/818149586.db2.gz IDAUMPJXIODEOO-UPVQGACJSA-N 1 0 396.506 4.331 40 0 GIABRO Cc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)C3CCCC3)c3ccccn3)C2)n1 ZINC000019236201 818589164 /nfs/dbraw/zinc/58/91/64/818589164.db2.gz OVKDWHDBSHTJCI-NFBKMPQASA-N 1 0 392.547 4.045 40 0 GIABRO CC[NH+](CC)[C@@H]1C[C@H](C(C)C)O[C@H](c2ccc(NC(=O)c3ccnn3C)cc2)C1 ZINC000019711764 818601531 /nfs/dbraw/zinc/60/15/31/818601531.db2.gz KKPSKMZUQMKXSP-FCEUIQTBSA-N 1 0 398.551 4.259 40 0 GIABRO Cc1cccc(CNc2n[nH]c3nc([C@H]4CC[N@H+](CC(C)(C)C)C4)ccc23)n1 ZINC000019705001 818601732 /nfs/dbraw/zinc/60/17/32/818601732.db2.gz KCHJMTBLYVYIDT-INIZCTEOSA-N 1 0 378.524 4.109 40 0 GIABRO COc1ccc(CC[N@@H+]2CC[C@H](c3cc(COc4ccc(F)cc4)[nH]n3)C2)cc1 ZINC000019704586 818601919 /nfs/dbraw/zinc/60/19/19/818601919.db2.gz BTIWXYZNFFDVCB-SFHVURJKSA-N 1 0 395.478 4.168 40 0 GIABRO CCOc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@H]3NC(=O)CCCC[C@H]32)cc1 ZINC000019712605 818602618 /nfs/dbraw/zinc/60/26/18/818602618.db2.gz GEXHSZNQSQRBPS-ZDXQCDESSA-N 1 0 378.516 4.112 40 0 GIABRO O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1cccc(F)c1)C[N@@H+]2Cc1cccc(F)c1F ZINC000019712797 818602657 /nfs/dbraw/zinc/60/26/57/818602657.db2.gz NGULOROMGQWUJA-KPLVRAHFSA-N 1 0 388.433 4.131 40 0 GIABRO CCn1cc(C[N@@H+]2CC[C@H]3[C@H]2CCCCC(=O)N3Cc2cccc(C)c2)c(C)n1 ZINC000019713465 818603385 /nfs/dbraw/zinc/60/33/85/818603385.db2.gz MDTPGMDWNWEUQG-PKTZIBPZSA-N 1 0 394.563 4.066 40 0 GIABRO CCOc1ccc(N2C[C@@](O)(c3ccc(Cl)cc3)[N+]3=C2CCCCC3)cc1 ZINC000022408692 818802495 /nfs/dbraw/zinc/80/24/95/818802495.db2.gz GCWMUIQATJSMAJ-JOCHJYFZSA-N 1 0 385.915 4.389 40 0 GIABRO Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000044852973 821672985 /nfs/dbraw/zinc/67/29/85/821672985.db2.gz IVVRGOLSTRSIOL-VQTJNVASSA-N 1 0 380.532 4.424 40 0 GIABRO CC[NH+](CC)CCOC(=O)[C@](O)(c1csc2ccccc21)c1cccc(C)c1 ZINC000001710842 203916800 /nfs/dbraw/zinc/91/68/00/203916800.db2.gz XODBNVAUBLQYCF-HSZRJFAPSA-N 1 0 397.540 4.331 40 0 GIABRO CCOCCP(CCOCC)CC[PH+](CCOCC)CCOCC ZINC000003780929 204019584 /nfs/dbraw/zinc/01/95/84/204019584.db2.gz QCWJONLQSHEGEJ-UHFFFAOYSA-N 1 0 382.462 4.096 40 0 world GIABRO COc1cc2ccc(C)nc2c(NC[C@@](C)(O)C[NH+](CC(C)C)CC(C)C)c1 ZINC000005931181 204157263 /nfs/dbraw/zinc/15/72/63/204157263.db2.gz WZUXNBRYPMURDV-HSZRJFAPSA-N 1 0 387.568 4.329 40 0 GIABRO CSc1nc(-c2ccccc2)c(C(=O)N[C@H](C)C[NH+]2CCCCC2)s1 ZINC000006443037 204178391 /nfs/dbraw/zinc/17/83/91/204178391.db2.gz SUIHBZSLWAQZGJ-CQSZACIVSA-N 1 0 375.563 4.136 40 0 GIABRO CCOCc1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)ccc1OC ZINC000012293144 204389305 /nfs/dbraw/zinc/38/93/05/204389305.db2.gz UYCNYHHGMFQZRM-VXMMSVGHSA-N 1 0 399.506 4.385 40 0 GIABRO Cc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(Cl)ccc2O3)cc1 ZINC000012293453 204389331 /nfs/dbraw/zinc/38/93/31/204389331.db2.gz XSFOFHBZXMJTLD-VQTJNVASSA-N 1 0 387.907 4.033 40 0 GIABRO O[C@@H](C[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1 ZINC000012292426 204389985 /nfs/dbraw/zinc/38/99/85/204389985.db2.gz WTWJMEWIEGPURL-SFHVURJKSA-N 1 0 399.840 4.376 40 0 GIABRO Cc1ccc(SCCNC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000038836681 205040231 /nfs/dbraw/zinc/04/02/31/205040231.db2.gz CVSVFNUGISZTJQ-IBGZPJMESA-N 1 0 386.536 4.255 40 0 GIABRO O=C(NCCSCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038837050 205040340 /nfs/dbraw/zinc/04/03/40/205040340.db2.gz BCNWZWNUPLSFNS-HXUWFJFHSA-N 1 0 386.536 4.087 40 0 GIABRO COc1cccc(OC)c1CN(Cc1ccncc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000036740544 205021156 /nfs/dbraw/zinc/02/11/56/205021156.db2.gz SPTZLJVCTUPXQQ-UHFFFAOYSA-N 1 0 397.563 4.410 40 0 GIABRO COc1ccc2[nH]cc([C@H](O)C[N@@H+]3CCC[C@H](COc4ccccc4F)C3)c2c1 ZINC000036743794 205021382 /nfs/dbraw/zinc/02/13/82/205021382.db2.gz LXLWQXIHUUKAHK-KSFYIVLOSA-N 1 0 398.478 4.140 40 0 GIABRO CCOC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038834614 205038379 /nfs/dbraw/zinc/03/83/79/205038379.db2.gz BJQDLLZWCMNYAJ-UHFFFAOYSA-N 1 0 380.488 4.492 40 0 GIABRO CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044874749 205088150 /nfs/dbraw/zinc/08/81/50/205088150.db2.gz FHKIFOVQNFPXDI-HSZRJFAPSA-N 1 0 396.531 4.155 40 0 GIABRO CCOc1ccc(CCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044851415 205088422 /nfs/dbraw/zinc/08/84/22/205088422.db2.gz SHXPYMQLIOVQAV-OAQYLSRUSA-N 1 0 398.522 4.185 40 0 GIABRO CC(C)Oc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000044932235 205090758 /nfs/dbraw/zinc/09/07/58/205090758.db2.gz SPZBIAWULBXWSZ-UHFFFAOYSA-N 1 0 384.495 4.141 40 0 GIABRO COc1ccccc1C[N@@H+]1CCC[C@@H]([C@H](NC(=O)CC(C)C)c2ccccn2)C1 ZINC000072330380 205326801 /nfs/dbraw/zinc/32/68/01/205326801.db2.gz OWBSAKCTQZGDKT-YKSBVNFPSA-N 1 0 395.547 4.206 40 0 GIABRO COc1ccc(-c2cccc(C[NH+]3CCC(O)(c4cccnc4F)CC3)c2)cc1 ZINC000072340004 205327001 /nfs/dbraw/zinc/32/70/01/205327001.db2.gz OKFRFZPEOUYGAE-UHFFFAOYSA-N 1 0 392.474 4.380 40 0 GIABRO COc1ccc(-c2cnc(N)nc2[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000072345899 205329880 /nfs/dbraw/zinc/32/98/80/205329880.db2.gz ZUTFRVAYTUMVFG-SFHVURJKSA-N 1 0 392.478 4.253 40 0 GIABRO O=C(C[N@H+]1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1)N1CCCCC1 ZINC000072348694 205330331 /nfs/dbraw/zinc/33/03/31/205330331.db2.gz SUDQGMQOVQIYCZ-IBGZPJMESA-N 1 0 381.495 4.080 40 0 GIABRO O=C(C[N@H+]1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1)N1CCCCC1 ZINC000072348693 205330405 /nfs/dbraw/zinc/33/04/05/205330405.db2.gz SUDQGMQOVQIYCZ-LJQANCHMSA-N 1 0 381.495 4.080 40 0 GIABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](c2cc(Cc3ccccc3)cc(C)n2)C1 ZINC000072353808 205333218 /nfs/dbraw/zinc/33/32/18/205333218.db2.gz YMVQLPQBKFDUGL-QFIPXVFZSA-N 1 0 379.548 4.029 40 0 GIABRO COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCC[N@@H+]1CC(C)(C)C ZINC000072370380 205335990 /nfs/dbraw/zinc/33/59/90/205335990.db2.gz XKLNECJHNGUJPQ-INIZCTEOSA-N 1 0 388.577 4.331 40 0 GIABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3cccc(Nc4ncccc4C)n3)C2)c(C)n1 ZINC000072376058 205338217 /nfs/dbraw/zinc/33/82/17/205338217.db2.gz GUJCIZMTVVSPOG-LJQANCHMSA-N 1 0 390.535 4.433 40 0 GIABRO O=C(C[NH+]1CCCCCC1)N1CCC[C@@H]1c1n[nH]cc1-c1cccc(Cl)c1 ZINC000072380348 205339716 /nfs/dbraw/zinc/33/97/16/205339716.db2.gz IIVJULYYEHTRQS-LJQANCHMSA-N 1 0 386.927 4.270 40 0 GIABRO COc1ccc([C@H]2C[N@H+](CCCc3ccccc3)[C@@H]3CCCN(C(C)=O)[C@@H]32)cc1 ZINC000072391580 205340924 /nfs/dbraw/zinc/34/09/24/205340924.db2.gz MULUNFJXUALMND-UBFVSLLYSA-N 1 0 392.543 4.107 40 0 GIABRO CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+](C2CCCC2)C1 ZINC000072395915 205342860 /nfs/dbraw/zinc/34/28/60/205342860.db2.gz WMNKQLBFWFEHDB-HSZRJFAPSA-N 1 0 381.520 4.045 40 0 GIABRO O=c1c(-c2cccs2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccc(F)cc2)C1 ZINC000020503186 205924269 /nfs/dbraw/zinc/92/42/69/205924269.db2.gz YORIHYXUOMOXFU-DLBZAZTESA-N 1 0 380.488 4.335 40 0 biogenic,in-vitro GIABRO O=C(Nc1nnc(-c2ccccc2)s1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000223625271 206002653 /nfs/dbraw/zinc/00/26/53/206002653.db2.gz KOTXPPKEPULCFO-QGZVFWFLSA-N 1 0 396.491 4.195 40 0 GIABRO CC(C)c1ccccc1OCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000223826472 206007279 /nfs/dbraw/zinc/00/72/79/206007279.db2.gz PWDHBUBOOWHEJF-FQEVSTJZSA-N 1 0 398.522 4.356 40 0 GIABRO Cc1cccc(OCCNC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1C ZINC000223941142 206009526 /nfs/dbraw/zinc/00/95/26/206009526.db2.gz GVUONBZJZHLAHE-GOSISDBHSA-N 1 0 380.532 4.344 40 0 GIABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCOc3ccc(Cl)cc3)CC2)c1 ZINC000224528353 206021708 /nfs/dbraw/zinc/02/17/08/206021708.db2.gz DJKAOMBMUYXZLD-UHFFFAOYSA-N 1 0 386.923 4.056 40 0 GIABRO O=C(NCCSC1CCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000224795551 206027163 /nfs/dbraw/zinc/02/71/63/206027163.db2.gz TWYORCRDVPGBOL-KRWDZBQOSA-N 1 0 380.985 4.344 40 0 GIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CSCc1ccc(Cl)cc1F ZINC000224844098 206028970 /nfs/dbraw/zinc/02/89/70/206028970.db2.gz PZMFMUYPRINMEL-QGZVFWFLSA-N 1 0 386.964 4.483 40 0 GIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc4c(c3)sc(=O)n4C)cc2)C1 ZINC000225050370 206034290 /nfs/dbraw/zinc/03/42/90/206034290.db2.gz OQJZRGGPFNLVOM-OAHLLOKOSA-N 1 0 395.528 4.084 40 0 GIABRO CCOC(=O)c1cc(NC(=S)NCCC[NH+]2CCCCCC2)ccc1Cl ZINC000225400860 206046160 /nfs/dbraw/zinc/04/61/60/206046160.db2.gz SGWWKAHZMCRGQO-UHFFFAOYSA-N 1 0 397.972 4.069 40 0 GIABRO CCO[C@@]1(C(=O)Nc2ccc(OCCC[NH+]3CCCC3)cc2)CCC[C@H](C)C1 ZINC000225715852 206068637 /nfs/dbraw/zinc/06/86/37/206068637.db2.gz HHVKBPWPJPNAFZ-CVDCTZTESA-N 1 0 388.552 4.475 40 0 GIABRO Cc1cc(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1Br ZINC000225728240 206070831 /nfs/dbraw/zinc/07/08/31/206070831.db2.gz JXHQWLOOAUFRCS-KBPBESRZSA-N 1 0 398.414 4.412 40 0 GIABRO CCCC[C@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225618692 206060524 /nfs/dbraw/zinc/06/05/24/206060524.db2.gz QKQRDVLFHOXZBV-GCJKJVERSA-N 1 0 376.541 4.331 40 0 GIABRO CC[NH+](CC)CCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1 ZINC000225636113 206062840 /nfs/dbraw/zinc/06/28/40/206062840.db2.gz UDJAVDJVRSJICG-PGRDOPGGSA-N 1 0 376.541 4.331 40 0 GIABRO COC1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@@H]3C)cc2)CCC(C)CC1 ZINC000225640468 206062966 /nfs/dbraw/zinc/06/29/66/206062966.db2.gz YUDKEWIIYPIIJZ-KPRXVCGWSA-N 1 0 388.552 4.474 40 0 GIABRO CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000225695908 206066750 /nfs/dbraw/zinc/06/67/50/206066750.db2.gz LYMIBNKLRQYIPC-UHFFFAOYSA-N 1 0 378.557 4.433 40 0 GIABRO CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000225688534 206068153 /nfs/dbraw/zinc/06/81/53/206068153.db2.gz QQKJEWWJLHAKRW-QFIPXVFZSA-N 1 0 376.541 4.331 40 0 GIABRO COc1ccccc1[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000225791255 206075332 /nfs/dbraw/zinc/07/53/32/206075332.db2.gz YASOCDSXBZRJQZ-INIZCTEOSA-N 1 0 386.923 4.438 40 0 GIABRO CCOC(=O)[C@@H]1[C@@H](c2ccccc2)[C@@H]2C(=O)CCCC[C@H]2[N@@H+]1Cc1ccccc1 ZINC000226086469 206088977 /nfs/dbraw/zinc/08/89/77/206088977.db2.gz PCLDENUBNWZUOM-KAMZKSLDSA-N 1 0 391.511 4.346 40 0 GIABRO Cc1cccnc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+][C@H]2Cc1ccccc1 ZINC000257210021 206159889 /nfs/dbraw/zinc/15/98/89/206159889.db2.gz BSUQCFRBPSWPFH-CZLVRFMKSA-N 1 0 389.543 4.137 40 0 GIABRO Cc1cc(C)nc(Nc2cncc(C3CC[NH+](CC4CCCCC4)CC3)n2)n1 ZINC000257224991 206162826 /nfs/dbraw/zinc/16/28/26/206162826.db2.gz FEJPCKMMCLABND-UHFFFAOYSA-N 1 0 380.540 4.387 40 0 GIABRO COc1ccccc1C(=O)N1[C@@H]2CCC[C@@H]3[NH2+][C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257341443 206181539 /nfs/dbraw/zinc/18/15/39/206181539.db2.gz ZKIZYZQBOCAQNL-AUNLMLFCSA-N 1 0 390.527 4.052 40 0 GIABRO Clc1ccc(C[N@@H+]2CC[C@]3(CN(Cc4cccnc4)c4cccnc43)C2)cc1 ZINC000306140756 206204503 /nfs/dbraw/zinc/20/45/03/206204503.db2.gz VDGBNSXYVJYTLP-HSZRJFAPSA-N 1 0 390.918 4.294 40 0 GIABRO COc1cccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4cccc(C)c4)C2)OC3)c1 ZINC000306139235 206204862 /nfs/dbraw/zinc/20/48/62/206204862.db2.gz SSYCWDZQKAAGNQ-DEOSSOPVSA-N 1 0 389.499 4.042 40 0 GIABRO Fc1ccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4cccc(F)c4)C2)OC3)cc1 ZINC000306140135 206205359 /nfs/dbraw/zinc/20/53/59/206205359.db2.gz ULIQQHOIJMWBPG-QFIPXVFZSA-N 1 0 381.426 4.003 40 0 GIABRO COc1cccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccc(C)s4)C2)OC3)c1 ZINC000306141992 206206599 /nfs/dbraw/zinc/20/65/99/206206599.db2.gz WLYNZJKKXCBGKL-JOCHJYFZSA-N 1 0 395.528 4.104 40 0 GIABRO Cc1cccc(C[N@@H+]2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306125560 206196279 /nfs/dbraw/zinc/19/62/79/206196279.db2.gz CTYZLRWHZBBJAY-QFIPXVFZSA-N 1 0 383.499 4.479 40 0 GIABRO COc1ccc(-c2cnc3n2C[C@H]2C[N@@H+](Cc4cccc(F)c4)C[C@@H]2C3)cc1 ZINC000306125556 206196805 /nfs/dbraw/zinc/19/68/05/206196805.db2.gz CTTOWBRNCXUOFD-RBUKOAKNSA-N 1 0 377.463 4.002 40 0 GIABRO Cc1ccc(C[N@@H+]2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)s1 ZINC000306130523 206198280 /nfs/dbraw/zinc/19/82/80/206198280.db2.gz JIUROBKFGJJUGT-SFHVURJKSA-N 1 0 375.501 4.151 40 0 GIABRO COc1ccc(C[N@@H+]2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cc1 ZINC000306131128 206201407 /nfs/dbraw/zinc/20/14/07/206201407.db2.gz JXJSNMFKEVFXGN-NRFANRHFSA-N 1 0 399.498 4.180 40 0 GIABRO CCN1Cc2c(-c3ccccc3)ncn2[C@@]2(CCC[N@H+](Cc3cccs3)C2)C1 ZINC000306134900 206203166 /nfs/dbraw/zinc/20/31/66/206203166.db2.gz OBBPOBKWEQMRPP-QHCPKHFHSA-N 1 0 392.572 4.438 40 0 GIABRO O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010691205 221106008 /nfs/dbraw/zinc/10/60/08/221106008.db2.gz BPZRFQARLFCQMP-UHFFFAOYSA-N 1 0 391.515 4.161 40 0 GIABRO O=C(c1ccc(Br)cc1)N1CCC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408613190 534691781 /nfs/dbraw/zinc/69/17/81/534691781.db2.gz XVEVBTMJNFKTRT-HXUWFJFHSA-N 1 0 399.332 4.112 40 0 GIABRO O=C(c1ccccc1Br)N1CCC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408605831 534747768 /nfs/dbraw/zinc/74/77/68/534747768.db2.gz GVSLXJQFBCTSEP-SFHVURJKSA-N 1 0 399.332 4.112 40 0 GIABRO COc1ccc2c(c1Oc1ccccc1)[C@@]13CC[N@H+](C)[C@@H](C2)[C@@H]1CCC(=O)C3 ZINC000163790276 560044321 /nfs/dbraw/zinc/04/43/21/560044321.db2.gz GUMLCSIEVNHVBR-MZLICYQSSA-N 1 0 377.484 4.355 40 0 biogenic,in-vitro GIABRO CC(C)n1c2cc(C(=O)N3CCC([NH+]4CCCC4)CC3)n(C)c2c2ccccc21 ZINC000096146410 570214202 /nfs/dbraw/zinc/21/42/02/570214202.db2.gz BEUXSVVIIOUYGI-UHFFFAOYSA-N 1 0 392.547 4.414 40 0 GIABRO Fc1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2nccs2)C3)ccc1Cl ZINC000096215815 570219593 /nfs/dbraw/zinc/21/95/93/570219593.db2.gz CIBIABHPONNAQE-IBGZPJMESA-N 1 0 379.932 4.424 40 0 GIABRO CC[NH+](CC)CCOC(=O)Cc1ccc2c(=O)cc(-c3ccc(C)cc3)oc2c1 ZINC000001582680 570265262 /nfs/dbraw/zinc/26/52/62/570265262.db2.gz FPGADIJOIXZMCN-UHFFFAOYSA-N 1 0 393.483 4.196 40 0 GIABRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)Nc2ccccc2Cl)cc1 ZINC000001664915 570266967 /nfs/dbraw/zinc/26/69/67/570266967.db2.gz JKIKZSHRKOYNIU-UHFFFAOYSA-N 1 0 389.883 4.483 40 0 GIABRO O=C(/C=C/c1ccco1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000021800262 570313464 /nfs/dbraw/zinc/31/34/64/570313464.db2.gz CVEDHBLGVNAQGZ-OUKQBFOZSA-N 1 0 387.483 4.254 40 0 GIABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216407 570317379 /nfs/dbraw/zinc/31/73/79/570317379.db2.gz GIDKFYIRTLEXKX-LJQANCHMSA-N 1 0 388.556 4.076 40 0 GIABRO C[NH+](C)CCN(Cc1ccc(OCc2cccc(F)c2)cc1)Cc1cccnc1 ZINC000022931655 570379307 /nfs/dbraw/zinc/37/93/07/570379307.db2.gz YQMFZSLMOJTFFP-UHFFFAOYSA-N 1 0 393.506 4.364 40 0 GIABRO CCOc1cc(CN(Cc2cccnc2)C[C@@H]2CCC[N@@H+]2CC)c(C)cc1OC ZINC000022931882 570379882 /nfs/dbraw/zinc/37/98/82/570379882.db2.gz YEVZCKAOCDOADW-QFIPXVFZSA-N 1 0 397.563 4.284 40 0 GIABRO Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000035316545 570422520 /nfs/dbraw/zinc/42/25/20/570422520.db2.gz KLMMVODPVDZGTN-NRFANRHFSA-N 1 0 381.495 4.194 40 0 GIABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3nnc(-c4ccccc4)s3)CC2)cc1 ZINC000222887695 570430250 /nfs/dbraw/zinc/43/02/50/570430250.db2.gz QONKHMWMZSNWBK-UHFFFAOYSA-N 1 0 392.528 4.364 40 0 GIABRO O=C(NCCSc1ccccc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039766185 570446179 /nfs/dbraw/zinc/44/61/79/570446179.db2.gz DQWOXEJBQLGPRR-UHFFFAOYSA-N 1 0 388.964 4.461 40 0 GIABRO CC(=O)Nc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000039768694 570446634 /nfs/dbraw/zinc/44/66/34/570446634.db2.gz SQUJUDCJCYFDDX-UHFFFAOYSA-N 1 0 385.895 4.149 40 0 GIABRO CCN(CC)C(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039742036 570446896 /nfs/dbraw/zinc/44/68/96/570446896.db2.gz RFJVDMMSZHISSE-UHFFFAOYSA-N 1 0 393.531 4.019 40 0 GIABRO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000039750590 570447471 /nfs/dbraw/zinc/44/74/71/570447471.db2.gz DAJKUCUXMOVJCL-UHFFFAOYSA-N 1 0 386.923 4.056 40 0 GIABRO COc1ccc(Cl)cc1NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039757939 570449599 /nfs/dbraw/zinc/44/95/99/570449599.db2.gz KXCPGPCXBIZDDK-UHFFFAOYSA-N 1 0 376.859 4.338 40 0 GIABRO COc1ccccc1Nc1cc(-c2ccccc2)nc(NCCC[NH+](C)C)n1 ZINC000243607188 570457800 /nfs/dbraw/zinc/45/78/00/570457800.db2.gz OWCNIQYPYPOGQK-UHFFFAOYSA-N 1 0 377.492 4.259 40 0 GIABRO CO[C@@]1(COc2ccc(C)cc2)CCC[N@H+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000257302562 570488680 /nfs/dbraw/zinc/48/86/80/570488680.db2.gz SDJTWNOGJWXBKD-DEOSSOPVSA-N 1 0 396.531 4.404 40 0 GIABRO COc1ccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(F)cc2)cc1 ZINC000004856814 570638371 /nfs/dbraw/zinc/63/83/71/570638371.db2.gz QIXWATIPOIUSQV-IHWFROFDSA-N 1 0 399.535 4.316 40 0 GIABRO C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCC2 ZINC000260930909 570714960 /nfs/dbraw/zinc/71/49/60/570714960.db2.gz LBFDOQJIMSJJSD-JTSKRJEESA-N 1 0 380.507 4.404 40 0 GIABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000013674607 570771622 /nfs/dbraw/zinc/77/16/22/570771622.db2.gz GAOOBGXLVBTDDL-MRXNPFEDSA-N 1 0 393.380 4.067 40 0 GIABRO CNC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](C[NH2+]Cc2ccnn2C)CC1 ZINC000257205707 570887579 /nfs/dbraw/zinc/88/75/79/570887579.db2.gz BAHQYVSMLWTSFX-WKILWMFISA-N 1 0 396.560 4.058 40 0 GIABRO C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000015614250 570899166 /nfs/dbraw/zinc/89/91/66/570899166.db2.gz KSXGTHTVTWCBSJ-KRWDZBQOSA-N 1 0 386.923 4.410 40 0 GIABRO Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000585100568 570924542 /nfs/dbraw/zinc/92/45/42/570924542.db2.gz NTNHLORCUDGROV-JOCHJYFZSA-N 1 0 385.483 4.091 40 0 GIABRO O=C(c1ccc(Cl)c(F)c1)N1CCC[C@]2(CCC[N@@H+]2C[C@@H]2CCCO2)CC1 ZINC000585100545 570924709 /nfs/dbraw/zinc/92/47/09/570924709.db2.gz NBHTZBSYGPQDMD-UWJYYQICSA-N 1 0 394.918 4.119 40 0 GIABRO CC(C)(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cc(F)ccc3F)C[C@@H]21 ZINC000585109500 570937613 /nfs/dbraw/zinc/93/76/13/570937613.db2.gz UQCQHWFCWFIMFX-IRFCIJBXSA-N 1 0 384.470 4.397 40 0 GIABRO COc1ccc(C[NH+]2CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)cc1 ZINC000019082034 570956105 /nfs/dbraw/zinc/95/61/05/570956105.db2.gz HEBUSWSKGZAUEF-QFIPXVFZSA-N 1 0 395.547 4.206 40 0 GIABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccc(N3CCCC3=O)cc2)o1 ZINC000019216474 570961743 /nfs/dbraw/zinc/96/17/43/570961743.db2.gz XWLHZEWPYKATEO-UHFFFAOYSA-N 1 0 392.503 4.004 40 0 GIABRO COc1cc2c(cc1C[N@@H+]1C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C1)CCCC2 ZINC000019215984 570961887 /nfs/dbraw/zinc/96/18/87/570961887.db2.gz AVKOHJMUXDCELH-HOKHCIIBSA-N 1 0 392.543 4.007 40 0 GIABRO COc1c(C)cccc1C[NH2+][C@@H](Cc1cc(=O)[nH]c(C)n1)c1ccc(Cl)cc1 ZINC000019236020 570966157 /nfs/dbraw/zinc/96/61/57/570966157.db2.gz WUXMCOYAKZZKNT-FQEVSTJZSA-N 1 0 397.906 4.122 40 0 GIABRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)NC1CCC2(CC2(F)F)CC1 ZINC000660515930 570973263 /nfs/dbraw/zinc/97/32/63/570973263.db2.gz ZWCQCUDBJQGESK-LYGPFTKASA-N 1 0 397.535 4.227 40 0 GIABRO O=C(NCc1ccc(F)cc1)c1cc(C2CC[NH+](Cc3cccs3)CC2)no1 ZINC000019343413 570977031 /nfs/dbraw/zinc/97/70/31/570977031.db2.gz VIMDIEUZMPXYQC-UHFFFAOYSA-N 1 0 399.491 4.185 40 0 GIABRO CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3C[C@@H]3CCOC3)cc2n1 ZINC000019452358 570985621 /nfs/dbraw/zinc/98/56/21/570985621.db2.gz ZZYHCDATKVHXQA-XJKSGUPXSA-N 1 0 382.430 4.045 40 0 GIABRO CC(=O)N1CCc2nc([C@H]3CCCC[N@H+]3CC[C@H](C)c3ccccc3)ncc2C1 ZINC000019455672 570987323 /nfs/dbraw/zinc/98/73/23/570987323.db2.gz NWYWNAWJOVKKDC-FDDCHVKYSA-N 1 0 392.547 4.102 40 0 GIABRO CC1CCN(C(=O)c2cc([C@@H]3CCC[N@H+](CCCc4ccccc4)C3)no2)CC1 ZINC000019496732 570990095 /nfs/dbraw/zinc/99/00/95/570990095.db2.gz UFZNIQLAMLXARI-OAQYLSRUSA-N 1 0 395.547 4.359 40 0 GIABRO CCCNC(=O)c1cc([C@H]2CCC[N@H+](Cc3cccc4ccccc43)C2)no1 ZINC000019503705 570993621 /nfs/dbraw/zinc/99/36/21/570993621.db2.gz XYGILKPYSUWMKS-IBGZPJMESA-N 1 0 377.488 4.347 40 0 GIABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cccs1)Cc1[nH]nnc1-c1ccccc1 ZINC000019527204 570997736 /nfs/dbraw/zinc/99/77/36/570997736.db2.gz KTBSMJCVSIEVOU-SFHVURJKSA-N 1 0 381.549 4.020 40 0 GIABRO CCOc1cc2c(cc1C[N@@H+]1C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C1)CCC2 ZINC000019532504 570999336 /nfs/dbraw/zinc/99/93/36/570999336.db2.gz PXYWXDLNPZHXGJ-HOKHCIIBSA-N 1 0 392.543 4.007 40 0 GIABRO Cc1noc(C)c1C(=O)NC1CC[NH+](CC2(c3ccccc3)CCCCC2)CC1 ZINC000019580244 571012961 /nfs/dbraw/zinc/01/29/61/571012961.db2.gz LGEOCUJOPHCLDD-UHFFFAOYSA-N 1 0 395.547 4.388 40 0 GIABRO Cc1c(-c2cncn2C[C@@H](C)[NH+]2CCC(C)CC2)cnn1Cc1ccccc1 ZINC000019654474 571022749 /nfs/dbraw/zinc/02/27/49/571022749.db2.gz QQYXYNKGEYLQEE-LJQANCHMSA-N 1 0 377.536 4.224 40 0 GIABRO CC[NH+](CC)C1CCN(C(=O)c2cc(-c3ccccn3)nc3ccccc32)CC1 ZINC000019718297 571041320 /nfs/dbraw/zinc/04/13/20/571041320.db2.gz GUTKULXVHRTGQW-UHFFFAOYSA-N 1 0 388.515 4.243 40 0 GIABRO Cc1cc(N2CCc3cc(Br)ccc3C2)nc(NC2CCCC2)[nH+]1 ZINC000328960419 571047274 /nfs/dbraw/zinc/04/72/74/571047274.db2.gz AXRKKTMLWXMAQE-UHFFFAOYSA-N 1 0 387.325 4.465 40 0 GIABRO Cc1ccc(C[NH+]2CCC(c3nc4ccc(N5CCCC5)cn4n3)CC2)s1 ZINC000096038271 571097072 /nfs/dbraw/zinc/09/70/72/571097072.db2.gz SCGQMILWHXACAO-UHFFFAOYSA-N 1 0 381.549 4.079 40 0 GIABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccco3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053084 571097592 /nfs/dbraw/zinc/09/75/92/571097592.db2.gz IZFAJEKGRHDFRY-IBGZPJMESA-N 1 0 394.515 4.097 40 0 GIABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccncc3)CC2)c2ccccc21)NC1CCC1 ZINC000096052767 571097683 /nfs/dbraw/zinc/09/76/83/571097683.db2.gz PZOYXRAWJLFDHG-HXUWFJFHSA-N 1 0 389.543 4.162 40 0 GIABRO C[C@H](C[N@@H+]1CCNC(=O)[C@@H](Cc2cccc(-c3cccnc3)c2)C1)c1ccccc1 ZINC000019456201 818592445 /nfs/dbraw/zinc/59/24/45/818592445.db2.gz FKLPLGKKHSPEQE-NLFFAJNJSA-N 1 0 399.538 4.143 40 0 GIABRO CCn1nc(C)c(CN2[C@H](Cc3ccccc3)C[C@@H]3[NH2+]CCCCC[C@H]32)c1C ZINC000019713049 818603216 /nfs/dbraw/zinc/60/32/16/818603216.db2.gz ZKMLCHIYVYGSQC-YFNKSVMNSA-N 1 0 380.580 4.238 40 0 GIABRO Cc1nc(C)c(C(=O)N2CCCCC[C@H]3[NH2+][C@H](Cc4ccccc4)C[C@@H]32)s1 ZINC000019712929 818603376 /nfs/dbraw/zinc/60/33/76/818603376.db2.gz USVSPWDJDKKFLZ-AQNXPRMDSA-N 1 0 383.561 4.118 40 0 GIABRO Nc1n[nH]c2nc([C@H]3CCCC[N@@H+]3CCc3ccccc3)cc(C(F)(F)F)c12 ZINC000019742906 818604175 /nfs/dbraw/zinc/60/41/75/818604175.db2.gz LTIOMSSKRVTAGG-MRXNPFEDSA-N 1 0 389.425 4.329 40 0 GIABRO Cc1ccc(N2C[C@](O)(c3ccc(OC(F)F)cc3)[N+]3=C2CCCCC3)cc1 ZINC000022408149 818802636 /nfs/dbraw/zinc/80/26/36/818802636.db2.gz ZYGWCQFJNOEFPQ-QFIPXVFZSA-N 1 0 387.450 4.247 40 0 GIABRO CC(C)C[C@@H]1[NH2+][C@H](C(=O)NCc2ccc(F)cc2)Cc2cn(C)c3cccc1c23 ZINC000049171501 291135566 /nfs/dbraw/zinc/13/55/66/291135566.db2.gz MVAMYDLEZYVDPW-SFTDATJTSA-N 1 0 393.506 4.235 40 0 biogenic,in-vitro GIABRO O[C@@H](c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000003874185 204021147 /nfs/dbraw/zinc/02/11/47/204021147.db2.gz XEEQGYMUWCZPDN-WFASDCNBSA-N 1 0 378.316 4.448 40 0 fda GIABRO COc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccc(F)cc2)c1 ZINC000035290343 204152108 /nfs/dbraw/zinc/15/21/08/204152108.db2.gz CPEPFIYWOHLCLN-SEJPIABJSA-N 1 0 382.479 4.150 40 0 GIABRO COc1ccc2nc(-c3cccs3)cc([C@H](O)C[NH+]3CCSCC3)c2c1 ZINC000005550296 204138820 /nfs/dbraw/zinc/13/88/20/204138820.db2.gz OKNKEAGLYVCUDV-LJQANCHMSA-N 1 0 386.542 4.054 40 0 GIABRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000006462775 204180201 /nfs/dbraw/zinc/18/02/01/204180201.db2.gz NOVQDTRWYWMFKP-UHFFFAOYSA-N 1 0 388.899 4.056 40 0 GIABRO COc1ccc(/C=C/C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1OC ZINC000007849921 204253751 /nfs/dbraw/zinc/25/37/51/204253751.db2.gz BSZUQKMCDVNGSI-ACCUITESSA-N 1 0 394.515 4.019 40 0 GIABRO CN(Cc1cc(C[C@@H]2C[C@H]([NH2+]Cc3ccccn3)C2(C)C)no1)c1ccccc1 ZINC000067890146 204260295 /nfs/dbraw/zinc/26/02/95/204260295.db2.gz PZTODPNVMJUFCK-JPYJTQIMSA-N 1 0 390.531 4.453 40 0 biogenic,in-vitro GIABRO COc1ccc(/C=C(/C(=O)NCCC[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000010277078 204333078 /nfs/dbraw/zinc/33/30/78/204333078.db2.gz FTSZQUCDFKZKHX-FCDQGJHFSA-N 1 0 378.516 4.228 40 0 GIABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2[nH]c3ccc(F)cc3c2C)CC1 ZINC000012328848 204399598 /nfs/dbraw/zinc/39/95/98/204399598.db2.gz YXQOIRCRNDUCMV-UHFFFAOYSA-N 1 0 397.469 4.382 40 0 GIABRO O[C@H](C[NH+]1CCC(O)(c2ccc(F)cc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000012292327 204388871 /nfs/dbraw/zinc/38/88/71/204388871.db2.gz GGAIGNRJBLANSS-GOSISDBHSA-N 1 0 384.278 4.150 40 0 GIABRO Cc1cccc(C2(O)CC[NH+](C[C@@H](O)c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000012292347 204389418 /nfs/dbraw/zinc/38/94/18/204389418.db2.gz BIECZTODQHHJKI-LJQANCHMSA-N 1 0 380.315 4.319 40 0 GIABRO O[C@H](C[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1 ZINC000012292429 204389427 /nfs/dbraw/zinc/38/94/27/204389427.db2.gz WTWJMEWIEGPURL-GOSISDBHSA-N 1 0 399.840 4.376 40 0 GIABRO Cc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(Cl)cc3)CC1)O2 ZINC000012329810 204399059 /nfs/dbraw/zinc/39/90/59/204399059.db2.gz PNAIPXYJYHICDW-UXHICEINSA-N 1 0 387.907 4.033 40 0 GIABRO Cc1cc(C)n(Cc2ccc(C(=O)NC3(C[NH+]4CCCC4)CCCCC3)cc2)n1 ZINC000019574442 204660396 /nfs/dbraw/zinc/66/03/96/204660396.db2.gz VJGOORVAYCCOCM-UHFFFAOYSA-N 1 0 394.563 4.077 40 0 GIABRO CCc1ccc(C(=O)CCNc2ccc(C(=O)OCC[NH+](CC)CC)cc2)cc1 ZINC000036646389 205019727 /nfs/dbraw/zinc/01/97/27/205019727.db2.gz SLEQLTQYHVJNPK-UHFFFAOYSA-N 1 0 396.531 4.433 40 0 GIABRO COc1cccc(OC)c1CN(Cc1cccnc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000036740523 205021696 /nfs/dbraw/zinc/02/16/96/205021696.db2.gz SLIQFNGGONTXBF-UHFFFAOYSA-N 1 0 397.563 4.410 40 0 GIABRO Cc1c(C[N@@H+]2CCC[C@H](C(=O)N3CCCCCC3)C2)c(-c2ccccc2)nn1C ZINC000036752917 205022179 /nfs/dbraw/zinc/02/21/79/205022179.db2.gz NKHOOLLQQADHQH-NRFANRHFSA-N 1 0 394.563 4.010 40 0 GIABRO COC(=O)c1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH+](C)C)C=C3C)nc2c1 ZINC000072320791 205030837 /nfs/dbraw/zinc/03/08/37/205030837.db2.gz KKPWGDIESLLPLN-FHWLQOOXSA-N 1 0 383.536 4.308 40 0 biogenic,in-vitro GIABRO CCOC(=O)c1ccccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000038834617 205039028 /nfs/dbraw/zinc/03/90/28/205039028.db2.gz DVNVCUCLXOXBLM-QGZVFWFLSA-N 1 0 380.488 4.348 40 0 GIABRO COc1cccc2cc(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)oc21 ZINC000044874624 205088444 /nfs/dbraw/zinc/08/84/44/205088444.db2.gz PVXKBWKNVPFSTP-UHFFFAOYSA-N 1 0 378.472 4.357 40 0 GIABRO COc1cccc(CCCNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000044906923 205089805 /nfs/dbraw/zinc/08/98/05/205089805.db2.gz YSOQTXIRCREHMF-IBGZPJMESA-N 1 0 380.532 4.290 40 0 GIABRO COc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044933129 205090830 /nfs/dbraw/zinc/09/08/30/205090830.db2.gz RHSZMCNAFRXVCS-VQIMIIECSA-N 1 0 386.923 4.438 40 0 GIABRO Cc1nccn1-c1ccccc1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000044932535 205091307 /nfs/dbraw/zinc/09/13/07/205091307.db2.gz XQSUPVGLHXSFOJ-UHFFFAOYSA-N 1 0 388.515 4.097 40 0 GIABRO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)c(C)c1 ZINC000044912101 205091358 /nfs/dbraw/zinc/09/13/58/205091358.db2.gz ZWDMHFQPTFCGSD-UHFFFAOYSA-N 1 0 394.515 4.331 40 0 GIABRO CCc1ncc(C[N@@H+]2CCC[C@@H](c3cccc(-c4ccc(OC)cc4)n3)C2)cn1 ZINC000072350252 205330469 /nfs/dbraw/zinc/33/04/69/205330469.db2.gz RZAUYLRRJJOYJW-HXUWFJFHSA-N 1 0 388.515 4.489 40 0 GIABRO Cc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)C4CC[NH+](C)CC4)C3)n2)c1 ZINC000072350393 205330706 /nfs/dbraw/zinc/33/07/06/205330706.db2.gz TUWJYKAIVOTRIN-JOCHJYFZSA-N 1 0 391.559 4.029 40 0 GIABRO O=C(C[N@H+]1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1)N1CCCC1 ZINC000072348773 205331130 /nfs/dbraw/zinc/33/11/30/205331130.db2.gz NMMMRMMXBCZEKB-SFHVURJKSA-N 1 0 383.923 4.204 40 0 GIABRO CCn1ncc(C[N@@H+]2CCC[C@@H](c3ccc(Nc4cccc(C)n4)cn3)C2)c1C ZINC000072353353 205332031 /nfs/dbraw/zinc/33/20/31/205332031.db2.gz XPGASFOYWIJKOK-LJQANCHMSA-N 1 0 390.535 4.433 40 0 GIABRO COc1cccc(-c2noc([C@H]3CC[N@H+](Cc4ccc5ccccc5n4)C3)n2)c1 ZINC000072369892 205335821 /nfs/dbraw/zinc/33/58/21/205335821.db2.gz FRNUGLUWGZHCGL-SFHVURJKSA-N 1 0 386.455 4.283 40 0 GIABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3cc(Nc4ccccn4)cc(C)n3)C2)c(C)n1 ZINC000072374966 205337229 /nfs/dbraw/zinc/33/72/29/205337229.db2.gz YFASPTDDFOSOMR-LJQANCHMSA-N 1 0 390.535 4.433 40 0 GIABRO CC(C)[N@@H+]1CCC[C@H](c2cccc(CC3(C(=O)N4CCCC4)CCOCC3)c2)C1 ZINC000072372255 205337728 /nfs/dbraw/zinc/33/77/28/205337728.db2.gz NOUITCUFNJCFLC-QHCPKHFHSA-N 1 0 398.591 4.236 40 0 GIABRO Cc1nnc(Nc2cccc(C3CC[NH+](CCc4ccccc4)CC3)n2)s1 ZINC000072376130 205337784 /nfs/dbraw/zinc/33/77/84/205337784.db2.gz UFVZCDHTWFUUSV-UHFFFAOYSA-N 1 0 379.533 4.407 40 0 GIABRO CCn1ncc(C[N@@H+]2CCC[C@@H]2c2cccc(Nc3ncccc3C)n2)c1C ZINC000072375399 205338280 /nfs/dbraw/zinc/33/82/80/205338280.db2.gz OFXUILIYIULMSY-HXUWFJFHSA-N 1 0 376.508 4.391 40 0 GIABRO COc1cccc([C@@H]2CCCN2C(=O)CC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000072392083 205341894 /nfs/dbraw/zinc/34/18/94/205341894.db2.gz NOPVBAXHCJWNRK-QHCPKHFHSA-N 1 0 393.531 4.056 40 0 GIABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCOc3ccc(C)cc3C)CC2)c1 ZINC000224529452 206021797 /nfs/dbraw/zinc/02/17/97/206021797.db2.gz XVJIFKLIHDAUGQ-UHFFFAOYSA-N 1 0 380.532 4.019 40 0 GIABRO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1C ZINC000224527563 206022835 /nfs/dbraw/zinc/02/28/35/206022835.db2.gz BGTNUCBQATZHOA-UHFFFAOYSA-N 1 0 380.532 4.019 40 0 GIABRO CCc1ccc(CC)c(CNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000224591777 206023875 /nfs/dbraw/zinc/02/38/75/206023875.db2.gz QGNWFDJZCDUMPL-UHFFFAOYSA-N 1 0 382.523 4.479 40 0 GIABRO CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224682875 206026541 /nfs/dbraw/zinc/02/65/41/206026541.db2.gz UNYGXQPJOGIDHK-JOCHJYFZSA-N 1 0 384.495 4.285 40 0 GIABRO C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224681928 206026569 /nfs/dbraw/zinc/02/65/69/206026569.db2.gz GBZANKJXHAYQCL-KRWDZBQOSA-N 1 0 386.923 4.410 40 0 GIABRO CCOC1(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCC(C)CC1 ZINC000225720162 206068739 /nfs/dbraw/zinc/06/87/39/206068739.db2.gz GBXZRZWNWUAECI-UHFFFAOYSA-N 1 0 388.552 4.475 40 0 GIABRO CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225618731 206060774 /nfs/dbraw/zinc/06/07/74/206060774.db2.gz NDYPPFRVIJOHAF-PGRDOPGGSA-N 1 0 376.541 4.474 40 0 GIABRO CC(C)(Br)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225594707 206061419 /nfs/dbraw/zinc/06/14/19/206061419.db2.gz MUNQUHUSCHYGOO-UHFFFAOYSA-N 1 0 383.330 4.053 40 0 GIABRO COC1(C(=O)Nc2ccc(OCC[NH+]3CCC(C)CC3)cc2)CCCCCC1 ZINC000225630659 206062179 /nfs/dbraw/zinc/06/21/79/206062179.db2.gz AANHSOSRZYCFKL-UHFFFAOYSA-N 1 0 388.552 4.475 40 0 GIABRO CCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225692879 206067802 /nfs/dbraw/zinc/06/78/02/206067802.db2.gz VPZJWYBMVHSAOQ-AVRDEDQJSA-N 1 0 376.541 4.474 40 0 GIABRO COCC[NH2+]C[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccccc3)o2)C[C@H]1C(C)C ZINC000030882797 206082638 /nfs/dbraw/zinc/08/26/38/206082638.db2.gz VKTJFSUJROMQIP-ACRUOGEOSA-N 1 0 383.536 4.370 40 0 biogenic,in-vitro GIABRO Cc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[N@H+](C)CCO)C=C3C)o2)cc1 ZINC000030883113 206083186 /nfs/dbraw/zinc/08/31/86/206083186.db2.gz FAUZOWFXSCBIKF-FKBYEOEOSA-N 1 0 397.563 4.366 40 0 biogenic,in-vitro GIABRO Cc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CC[NH+](Cc4c[nH]cn4)CC3)CO[C@H]21 ZINC000257203602 206157872 /nfs/dbraw/zinc/15/78/72/206157872.db2.gz AQVJQSYAHALEGK-PZJWPPBQSA-N 1 0 381.520 4.249 40 0 GIABRO Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCCN(C(=O)c3cnccn3)C2)[nH+]1 ZINC000257221652 206160535 /nfs/dbraw/zinc/16/05/35/206160535.db2.gz DQACZNHDQUZNDL-INIZCTEOSA-N 1 0 391.450 4.083 40 0 GIABRO Cc1cccc(C[NH+]2CCC(Cc3cccc(-c4ccncc4)c3)(C(N)=O)CC2)c1 ZINC000257292370 206174789 /nfs/dbraw/zinc/17/47/89/206174789.db2.gz QLERKHWAIUCROV-UHFFFAOYSA-N 1 0 399.538 4.367 40 0 GIABRO Cc1ncsc1C[N@@H+]1CC[C@@H](c2ccnc3ncc(-c4ccc(F)cc4)n32)C1 ZINC000257298942 206174901 /nfs/dbraw/zinc/17/49/01/206174901.db2.gz RNZSKHAYSMSUFK-MRXNPFEDSA-N 1 0 393.491 4.290 40 0 GIABRO Cc1ncsc1C(=O)N1[C@@H]2CCCC[C@@H]3[NH2+][C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257297137 206175461 /nfs/dbraw/zinc/17/54/61/206175461.db2.gz RGBCFFSMATUQAK-PYRYHMDCSA-N 1 0 395.572 4.198 40 0 GIABRO CC(C)Oc1cccc(CNc2cc(-c3c[nH]nc3[C@@H]3CC[N@H+](C)C3)ccn2)c1 ZINC000257306322 206176813 /nfs/dbraw/zinc/17/68/13/206176813.db2.gz STUQPOSWGLWSHB-LJQANCHMSA-N 1 0 391.519 4.290 40 0 GIABRO O=C(C[NH+]1CCCCC1)N1CCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257227452 206163238 /nfs/dbraw/zinc/16/32/38/206163238.db2.gz FPJOXTFKGUPAQZ-IBGZPJMESA-N 1 0 387.911 4.068 40 0 GIABRO COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3[N@@H+]2Cc2cccc(C)n2)c1 ZINC000257260176 206168360 /nfs/dbraw/zinc/16/83/60/206168360.db2.gz LBQQJKNVIFYVFL-FIXSFTCYSA-N 1 0 393.531 4.163 40 0 GIABRO COc1ccc(Nc2cc(C)nc([C@@H]3CC[N@H+](Cc4cn(C)nc4C)C3)c2)cc1 ZINC000257334420 206181826 /nfs/dbraw/zinc/18/18/26/206181826.db2.gz YFUJNHOMALXAQE-GOSISDBHSA-N 1 0 391.519 4.174 40 0 GIABRO c1nc2c(n1CC1CC1)C1(CC[NH+](Cc3cccnc3)CC1)Oc1ccccc1-2 ZINC000306145105 206207237 /nfs/dbraw/zinc/20/72/37/206207237.db2.gz ZYEPEZJJYPMVDK-UHFFFAOYSA-N 1 0 386.499 4.239 40 0 GIABRO CC(C)Cn1cnc2c1C1(CC[NH+](Cc3ccccn3)CC1)Oc1ccccc1-2 ZINC000306144529 206207710 /nfs/dbraw/zinc/20/77/10/206207710.db2.gz ZHWNWOMZWGWVEI-UHFFFAOYSA-N 1 0 388.515 4.485 40 0 GIABRO Fc1ccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(-c4cccc(F)c4)cnc2CO3)cc1 ZINC000306125954 206197455 /nfs/dbraw/zinc/19/74/55/206197455.db2.gz DGYFWGMDZSOSQI-JOCHJYFZSA-N 1 0 381.426 4.003 40 0 GIABRO Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](C2)N(Cc2cccs2)C(=O)c2cccn23)s1 ZINC000306124856 206197669 /nfs/dbraw/zinc/19/76/69/206197669.db2.gz CAVLLZBYLZYSOD-RTBURBONSA-N 1 0 383.542 4.001 40 0 GIABRO Cc1ccc(C[N@@H+]2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)s1 ZINC000306130522 206199839 /nfs/dbraw/zinc/19/98/39/206199839.db2.gz JIUROBKFGJJUGT-GOSISDBHSA-N 1 0 375.501 4.151 40 0 GIABRO c1nc2c(n1CC1CC1)C1(CC[NH+](Cc3ccncc3)CC1)Oc1ccccc1-2 ZINC000306137000 206202583 /nfs/dbraw/zinc/20/25/83/206202583.db2.gz QISFMCXHPMLQPM-UHFFFAOYSA-N 1 0 386.499 4.239 40 0 GIABRO CCc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(N[C@H](C)CC)[nH+]1 ZINC000328970322 570210107 /nfs/dbraw/zinc/21/01/07/570210107.db2.gz DIUXBZMACOGDIX-CYBMUJFWSA-N 1 0 394.441 4.133 40 0 GIABRO O=C1N(CC2CC2)[C@H](c2ccccc2)C12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096100272 570210307 /nfs/dbraw/zinc/21/03/07/570210307.db2.gz PLCMRYQWVLDZLF-JOCHJYFZSA-N 1 0 378.491 4.401 40 0 GIABRO CC[C@H](C)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(C)[nH+]1 ZINC000328982106 570210412 /nfs/dbraw/zinc/21/04/12/570210412.db2.gz GXZFGLFFZNIUKB-LBPRGKRZSA-N 1 0 380.414 4.457 40 0 GIABRO Cc1nn(-c2ccc(F)cc2)c(C)c1-c1cncn1C[C@H](C)[NH+]1CCCCC1 ZINC000019719654 570210605 /nfs/dbraw/zinc/21/06/05/570210605.db2.gz APDLFQPYJGCACV-INIZCTEOSA-N 1 0 381.499 4.366 40 0 GIABRO CC(C)c1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(NC2CCCC2)[nH+]1 ZINC000328983570 570210696 /nfs/dbraw/zinc/21/06/96/570210696.db2.gz HHDJHJANOXNKJY-UHFFFAOYSA-N 1 0 394.563 4.167 40 0 GIABRO CC(C)c1nc(N2CCc3cc(Cl)ccc3C2)cc(N[C@H](CO)C(C)C)[nH+]1 ZINC000329021739 570213501 /nfs/dbraw/zinc/21/35/01/570213501.db2.gz OIJJKCLGKXLFOX-GOSISDBHSA-N 1 0 388.943 4.245 40 0 GIABRO Cc1cc(Nc2cc(C(F)(F)F)nc(NCC[NH+](C)C)n2)ccc1C(C)C ZINC000329048263 570214958 /nfs/dbraw/zinc/21/49/58/570214958.db2.gz UIRDXIAVSGSMLY-UHFFFAOYSA-N 1 0 381.446 4.066 40 0 GIABRO CC(C)c1nc(N2CCc3cc(Br)ccc3C2)cc(NC2CC2)[nH+]1 ZINC000329066307 570216120 /nfs/dbraw/zinc/21/61/20/570216120.db2.gz XZMDKKJXUPEMAG-UHFFFAOYSA-N 1 0 387.325 4.500 40 0 GIABRO O=C(Cc1ccc(Cl)cc1)N1CC2(C1)CC[NH+](Cc1ccccc1F)CC2 ZINC000096203014 570219192 /nfs/dbraw/zinc/21/91/92/570219192.db2.gz ROQQUHICSKTMOI-UHFFFAOYSA-N 1 0 386.898 4.146 40 0 GIABRO Clc1cccc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(-c4ccccc4)nc23)c1 ZINC000096244345 570223794 /nfs/dbraw/zinc/22/37/94/570223794.db2.gz CCFWFNUMAXDMNM-QHCPKHFHSA-N 1 0 391.902 4.471 40 0 GIABRO CC(=O)N1CCCC[C@H]2[N@H+](C[C@@]3(O)CC[C@H](C(C)(C)C)CC3)CCC[C@@]21C ZINC000585282803 570251019 /nfs/dbraw/zinc/25/10/19/570251019.db2.gz HYFTYIFHWAHTTC-SCPDWHHUSA-N 1 0 378.601 4.209 40 0 GIABRO CC[NH+](CC)CCOC(=O)[C@H](C)c1cccc2c(=O)cc(-c3ccccc3)oc21 ZINC000001582682 570265294 /nfs/dbraw/zinc/26/52/94/570265294.db2.gz GXPADXQOJKKKOW-QGZVFWFLSA-N 1 0 393.483 4.449 40 0 GIABRO CCCC[NH+](CCCC)C[C@H](O)c1ccccc1I ZINC000001593682 570265684 /nfs/dbraw/zinc/26/56/84/570265684.db2.gz ZRVAQOINPZJDQN-INIZCTEOSA-N 1 0 375.294 4.227 40 0 GIABRO CC[NH+](CC)CCOC(=O)[C@](O)(c1ccccc1)c1c(C)c(C)c(C)c(C)c1C ZINC000001710846 570267269 /nfs/dbraw/zinc/26/72/69/570267269.db2.gz OYTXCXGMLNKVGP-VWLOTQADSA-N 1 0 397.559 4.350 40 0 GIABRO CC[NH+](CC)CCOC(=O)[C@](O)(c1cc(C)c(C)c(C)c1)C1CCCCC1 ZINC000001710841 570267383 /nfs/dbraw/zinc/26/73/83/570267383.db2.gz LODYVPREWYSIAK-HSZRJFAPSA-N 1 0 375.553 4.265 40 0 GIABRO O=C(COc1ccc(Cl)c(Cl)c1)Nc1ccc[n+](Cc2ccccc2)c1 ZINC000001750156 570267716 /nfs/dbraw/zinc/26/77/16/570267716.db2.gz KGCHYKPEJLDFQA-UHFFFAOYSA-O 1 0 388.274 4.347 40 0 GIABRO CNC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](C[NH2+]Cc2ccnn2C)CC1 ZINC000100657986 570274282 /nfs/dbraw/zinc/27/42/82/570274282.db2.gz BAHQYVSMLWTSFX-IYBDPMFKSA-N 1 0 396.560 4.058 40 0 GIABRO CCN(CC)CC[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 ZINC000022074942 570321311 /nfs/dbraw/zinc/32/13/11/570321311.db2.gz SPZMHZKARUGTRI-UHFFFAOYSA-N 1 0 394.918 4.498 40 0 GIABRO C[NH+]1CCC(Oc2ccc(NC(=O)COc3cccc4ccccc43)cc2)CC1 ZINC000218916974 570343608 /nfs/dbraw/zinc/34/36/08/570343608.db2.gz WCGLYPBNBRXWQC-UHFFFAOYSA-N 1 0 390.483 4.330 40 0 GIABRO CCC[C@H](c1nnnn1C(C)(C)C)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057669670 570367138 /nfs/dbraw/zinc/36/71/38/570367138.db2.gz RGYKUZCFPXITLU-QGZVFWFLSA-N 1 0 390.963 4.053 40 0 GIABRO CC(C)CSc1nnc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000222665945 570419675 /nfs/dbraw/zinc/41/96/75/570419675.db2.gz PIIDFVGBBGQGIE-UHFFFAOYSA-N 1 0 376.551 4.134 40 0 GIABRO CCOC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000039754052 570447422 /nfs/dbraw/zinc/44/74/22/570447422.db2.gz HCCSZTAMWQZOQS-UHFFFAOYSA-N 1 0 380.488 4.022 40 0 GIABRO Cc1ccc(SCCNC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000039752670 570447493 /nfs/dbraw/zinc/44/74/93/570447493.db2.gz FNCDOVZGGJBRJC-UHFFFAOYSA-N 1 0 382.573 4.424 40 0 GIABRO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCC2 ZINC000223242707 570452219 /nfs/dbraw/zinc/45/22/19/570452219.db2.gz LBFDOQJIMSJJSD-HTAPYJJXSA-N 1 0 380.507 4.404 40 0 GIABRO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000223250285 570452882 /nfs/dbraw/zinc/45/28/82/570452882.db2.gz OXZFZIMLXHSQHJ-HXUWFJFHSA-N 1 0 380.532 4.230 40 0 GIABRO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(C)cc1 ZINC000028296093 570457737 /nfs/dbraw/zinc/45/77/37/570457737.db2.gz PLMKJTCJHREUTN-OAQYLSRUSA-N 1 0 377.488 4.463 40 0 GIABRO CC[N@H+](C[C@@H](O)COCCOC12CC3CC(CC(C3)C1)C2)C1CCCCC1 ZINC000226072390 570458896 /nfs/dbraw/zinc/45/88/96/570458896.db2.gz RDMZABSFBLMXRE-OCKRMRLHSA-N 1 0 379.585 4.004 40 0 GIABRO CO[C@@]1(COc2ccc(C)cc2)CCC[N@H+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000257211784 570487312 /nfs/dbraw/zinc/48/73/12/570487312.db2.gz CAIYKEOCTMWKIA-QHCPKHFHSA-N 1 0 379.504 4.321 40 0 GIABRO O=c1c2ccccc2nc(SCC[NH+]2CCCCC2)n1CCc1ccccc1 ZINC000000905604 570516366 /nfs/dbraw/zinc/51/63/66/570516366.db2.gz BHTBDJMRXLCQNE-UHFFFAOYSA-N 1 0 393.556 4.217 40 0 GIABRO Cc1cc(C)cc(O[C@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000224685609 570524236 /nfs/dbraw/zinc/52/42/36/570524236.db2.gz ZHZUYCNHJNNNTI-HXUWFJFHSA-N 1 0 380.532 4.373 40 0 GIABRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1C ZINC000012362787 570646340 /nfs/dbraw/zinc/64/63/40/570646340.db2.gz VFGUTDBZVZHMLM-SFHVURJKSA-N 1 0 385.577 4.268 40 0 GIABRO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[N@@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000013763783 570676287 /nfs/dbraw/zinc/67/62/87/570676287.db2.gz NENICZBEIUETKY-WNSKOXEYSA-N 1 0 397.519 4.102 40 0 GIABRO O=C(OCc1ccccc1)N1C[C@H](OCc2ccccc2)C[C@H]1C[NH+]1CCCC1 ZINC000012651007 570695090 /nfs/dbraw/zinc/69/50/90/570695090.db2.gz RWSANADENYLJKX-XZOQPEGZSA-N 1 0 394.515 4.079 40 0 GIABRO CCO[C@](C)(CC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260812414 570707315 /nfs/dbraw/zinc/70/73/15/570707315.db2.gz BCLYDPKAXVCNFX-XMSQKQJNSA-N 1 0 376.541 4.474 40 0 GIABRO CCCOC(C)(C)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260814462 570707898 /nfs/dbraw/zinc/70/78/98/570707898.db2.gz IRPLEQQJILVSQL-SFHVURJKSA-N 1 0 376.541 4.331 40 0 GIABRO Cc1cccc(OCCNC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1C ZINC000260922498 570714509 /nfs/dbraw/zinc/71/45/09/570714509.db2.gz GVUONBZJZHLAHE-SFHVURJKSA-N 1 0 380.532 4.344 40 0 GIABRO CCOc1ccc(C(=O)NC(=S)Nc2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000006629889 570748103 /nfs/dbraw/zinc/74/81/03/570748103.db2.gz SXULNTFGDNRJCV-UHFFFAOYSA-N 1 0 385.533 4.054 40 0 GIABRO Cc1cc(Nc2ncccn2)cc([C@H]2CCN(C(=O)CCC3CCCC3)C2)[nH+]1 ZINC000257221218 570763238 /nfs/dbraw/zinc/76/32/38/570763238.db2.gz DOAKKSYIXSGQTP-SFHVURJKSA-N 1 0 379.508 4.210 40 0 GIABRO Cc1ccc(C[NH+]2CCC(C(=O)NCc3cccc(OC(C)C)c3)CC2)cc1 ZINC000009062596 570773999 /nfs/dbraw/zinc/77/39/99/570773999.db2.gz IZFFDLYPNQXFAU-UHFFFAOYSA-N 1 0 380.532 4.311 40 0 GIABRO CCc1ccc(C[N@H+](Cc2cccnc2)Cc2ccc(OC)c(CO)c2)cc1 ZINC000013569095 570850728 /nfs/dbraw/zinc/85/07/28/570850728.db2.gz JRRWRYPEAOMMBE-UHFFFAOYSA-N 1 0 376.500 4.347 40 0 GIABRO COc1ccc(C[N@@H+](Cc2ccnc3ccccc23)C[C@H]2CCCO2)cc1OC ZINC000013994193 570868902 /nfs/dbraw/zinc/86/89/02/570868902.db2.gz TTXUMTSSJQMSKE-HXUWFJFHSA-N 1 0 392.499 4.433 40 0 GIABRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Br)cc1 ZINC000001437867 570899547 /nfs/dbraw/zinc/89/95/47/570899547.db2.gz XVOWKWVSFLHRFU-RBUKOAKNSA-N 1 0 388.305 4.228 40 0 GIABRO CC(=O)N(C)Cc1cc([C@H]2CC[C@H](C[N@H+](C)Cc3cccc(C)c3)CC2)nn1C ZINC000257308911 570905903 /nfs/dbraw/zinc/90/59/03/570905903.db2.gz TYSCUGVXUSBVIP-AQYVVDRMSA-N 1 0 396.579 4.113 40 0 GIABRO CO[C@H]1CC[C@H](C(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCC[N@@H+]3C)CC1 ZINC000257310444 570906891 /nfs/dbraw/zinc/90/68/91/570906891.db2.gz UFCLHBIXECGMGI-GNJRFXKQSA-N 1 0 384.564 4.061 40 0 GIABRO CC(=O)N(C)Cc1cc([C@H]2CC[C@H](C[N@H+](C)Cc3ccccc3C)CC2)nn1C ZINC000257344228 570910883 /nfs/dbraw/zinc/91/08/83/570910883.db2.gz ZWEWPBSHOIXPHN-MEMLXQNLSA-N 1 0 396.579 4.113 40 0 GIABRO O=C(Cc1cccc(O)c1)N1CCC[C@@]2(CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000585100831 570928507 /nfs/dbraw/zinc/92/85/07/570928507.db2.gz YFIKZBIXPLBJDW-XMMPIXPASA-N 1 0 396.506 4.121 40 0 GIABRO Cc1ccc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOCc2cccnc2)s1 ZINC000585104349 570930180 /nfs/dbraw/zinc/93/01/80/570930180.db2.gz HPCMLYWTKXZLSF-HXUWFJFHSA-N 1 0 386.561 4.430 40 0 GIABRO CC(C)(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(F)cc3F)C[C@@H]21 ZINC000585109587 570937996 /nfs/dbraw/zinc/93/79/96/570937996.db2.gz XVCKKNSDRGKCBV-IRFCIJBXSA-N 1 0 384.470 4.397 40 0 GIABRO Cc1cc(C)cc(C(=O)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccnc4)[C@H]3C2)c1 ZINC000585107847 570939460 /nfs/dbraw/zinc/93/94/60/570939460.db2.gz RZRPNXJECOPAAP-PMVMPFDFSA-N 1 0 377.532 4.071 40 0 GIABRO Cc1cc(C)cc(C(=O)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccnc4)[C@@H]3C2)c1 ZINC000585107846 570939565 /nfs/dbraw/zinc/93/95/65/570939565.db2.gz RZRPNXJECOPAAP-MDNUFGMLSA-N 1 0 377.532 4.071 40 0 GIABRO Cc1cc(C)cc(C(=O)N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccnc4)[C@H]3C2)c1 ZINC000585107845 570939794 /nfs/dbraw/zinc/93/97/94/570939794.db2.gz RZRPNXJECOPAAP-ACIOBRDBSA-N 1 0 377.532 4.071 40 0 GIABRO FC(F)(F)c1ccc(Cl)c(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)c1 ZINC000228928478 570952055 /nfs/dbraw/zinc/95/20/55/570952055.db2.gz JEYHBNOJWUWPQB-UHFFFAOYSA-N 1 0 396.804 4.167 40 0 GIABRO CC(C)(C)c1[nH]c2ncccc2c1C[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC000019083441 570956190 /nfs/dbraw/zinc/95/61/90/570956190.db2.gz AXKOUVWMDBWALE-UHFFFAOYSA-N 1 0 381.495 4.483 40 0 GIABRO O=C(C[C@@H]([NH2+]CCc1ccccn1)c1ccccc1)c1cc2ccccc2oc1=O ZINC000019203779 570959655 /nfs/dbraw/zinc/95/96/55/570959655.db2.gz GULTVHDJZFMIOQ-JOCHJYFZSA-N 1 0 398.462 4.334 40 0 GIABRO Cc1cccc(-c2cc(C[NH2+]Cc3ccc(C(F)(F)F)cc3)c3nnnn3c2)c1 ZINC000019235302 570965405 /nfs/dbraw/zinc/96/54/05/570965405.db2.gz FCAYJTGBCXLGBJ-UHFFFAOYSA-N 1 0 397.404 4.408 40 0 GIABRO Fc1cccc(C[N@H+](CCCn2ccnc2)Cc2cccn2-c2cccnc2)c1 ZINC000019293764 570973274 /nfs/dbraw/zinc/97/32/74/570973274.db2.gz BVGSYROOSHMQNI-UHFFFAOYSA-N 1 0 389.478 4.300 40 0 GIABRO O=C(N[C@H](c1ccccn1)C1CC[NH+](Cc2ccccc2F)CC1)C1CCC1 ZINC000019348865 570978482 /nfs/dbraw/zinc/97/84/82/570978482.db2.gz SQPKLXXQZKNKQK-QFIPXVFZSA-N 1 0 381.495 4.090 40 0 GIABRO O=C(NC1CCCCC1)c1cc([C@@H]2CCC[N@H+](CCc3ccccc3)C2)no1 ZINC000019371275 570981074 /nfs/dbraw/zinc/98/10/74/570981074.db2.gz RHXQXFAGCMCTCP-LJQANCHMSA-N 1 0 381.520 4.159 40 0 GIABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](CC2CCCCC2)C1)c1ccccn1 ZINC000019400478 570982493 /nfs/dbraw/zinc/98/24/93/570982493.db2.gz RDCZZDSXLRNKBC-OFNKIYASSA-N 1 0 392.547 4.240 40 0 GIABRO CC(C)c1cc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCC[N@@H+]3C)[nH]n1 ZINC000019451879 570985728 /nfs/dbraw/zinc/98/57/28/570985728.db2.gz MPIVFYAYXFVNJR-STZQEDGTSA-N 1 0 380.536 4.016 40 0 GIABRO CC(=O)N1CCc2nc([C@H]3CCCC[N@H+]3CC[C@@H](C)c3ccccc3)ncc2C1 ZINC000019455674 570987171 /nfs/dbraw/zinc/98/71/71/570987171.db2.gz NWYWNAWJOVKKDC-WZONZLPQSA-N 1 0 392.547 4.102 40 0 GIABRO CCc1oc2ccccc2c1C[NH+]1CCC([C@H](NC(C)=O)c2ccccn2)CC1 ZINC000019521355 570994544 /nfs/dbraw/zinc/99/45/44/570994544.db2.gz VMRMIDRFIAAJJH-DEOSSOPVSA-N 1 0 391.515 4.480 40 0 GIABRO CCCc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCC[N@@H+]3C)no1 ZINC000019525375 570996918 /nfs/dbraw/zinc/99/69/18/570996918.db2.gz YHXKKJDVHHMAHH-NNWRFLSQSA-N 1 0 381.520 4.110 40 0 GIABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cccs1)Cc1[nH]nnc1-c1ccccc1 ZINC000019527203 570997908 /nfs/dbraw/zinc/99/79/08/570997908.db2.gz KTBSMJCVSIEVOU-GOSISDBHSA-N 1 0 381.549 4.020 40 0 GIABRO CCOCc1cc(CN2CCC[C@H]3[NH2+]C[C@H](c4ccc(F)cc4)[C@H]32)ccc1OC ZINC000019531163 570998600 /nfs/dbraw/zinc/99/86/00/570998600.db2.gz JSKGSFQSNWWERD-CQOQZXRMSA-N 1 0 398.522 4.091 40 0 GIABRO Cc1noc(C)c1CCC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCC[N@H+]2C ZINC000019580756 571013019 /nfs/dbraw/zinc/01/30/19/571013019.db2.gz RGSPZLAVQUVMRD-CQOQZXRMSA-N 1 0 395.547 4.093 40 0 GIABRO CN(C)c1cc([C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)nc(-c2ccncc2)n1 ZINC000019584584 571015329 /nfs/dbraw/zinc/01/53/29/571015329.db2.gz SRODBANAAFVVCH-LJQANCHMSA-N 1 0 391.494 4.123 40 0 GIABRO COc1ccc(Cc2cc(C)nc(C3CC[NH+](Cc4cnn(C)c4)CC3)c2)cc1 ZINC000019691595 571029618 /nfs/dbraw/zinc/02/96/18/571029618.db2.gz UAAPRTOKGYFBCN-UHFFFAOYSA-N 1 0 390.531 4.103 40 0 GIABRO COc1c(C[N@@H+]2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)c(C)nn1C ZINC000019715713 571037632 /nfs/dbraw/zinc/03/76/32/571037632.db2.gz PUKBXHHZDCAKSG-QGZVFWFLSA-N 1 0 381.524 4.047 40 0 GIABRO CCN1CCn2c(-c3ccccc3)cnc2C12CC[NH+](Cc1ccsc1)CC2 ZINC000096037029 571096512 /nfs/dbraw/zinc/09/65/12/571096512.db2.gz OURVIGRCEWXOPH-UHFFFAOYSA-N 1 0 392.572 4.438 40 0 GIABRO COc1ccc(C[NH+]2CCC3(CCC(=O)N3Cc3cccc(C)c3)CC2)cc1 ZINC000096049439 571097324 /nfs/dbraw/zinc/09/73/24/571097324.db2.gz ULNVMUGVYDQORO-UHFFFAOYSA-N 1 0 378.516 4.161 40 0 GIABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccccn3)CC2)c2ccccc21)NC1CCC1 ZINC000096052764 571097512 /nfs/dbraw/zinc/09/75/12/571097512.db2.gz BDGDWUAWUUPEAS-IBGZPJMESA-N 1 0 389.543 4.162 40 0 GIABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccccn3)CC2)c2ccccc21)NCC1CC1 ZINC000096052677 571097583 /nfs/dbraw/zinc/09/75/83/571097583.db2.gz BOBIZXXEUTYWIB-HXUWFJFHSA-N 1 0 389.543 4.019 40 0 GIABRO O=C1N(CCc2ccccc2)CC=CCC12CC[NH+](CCc1ccccc1)CC2 ZINC000019744813 818604234 /nfs/dbraw/zinc/60/42/34/818604234.db2.gz XCXKYKUQABZGKZ-UHFFFAOYSA-N 1 0 388.555 4.343 40 0 GIABRO COc1cccc(C[N@@H+]2CC[C@@H](c3cc(COc4ccc(F)cc4)[nH]n3)C2)c1 ZINC000019738951 818604394 /nfs/dbraw/zinc/60/43/94/818604394.db2.gz BDTPNOPDWMHOIB-QGZVFWFLSA-N 1 0 381.451 4.126 40 0 GIABRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019765267 818604928 /nfs/dbraw/zinc/60/49/28/818604928.db2.gz XEEBKBHXGKRTBX-HXUWFJFHSA-N 1 0 386.499 4.417 40 0 GIABRO CC[NH+](CC)CCCNC(=O)CSc1cc(Cl)nc2ccc(C)cc21 ZINC000020105208 818614019 /nfs/dbraw/zinc/61/40/19/818614019.db2.gz BVZHFYQIPBDUJB-UHFFFAOYSA-N 1 0 379.957 4.137 40 0 GIABRO CCCN1c2ccccc2C(=O)N(CC[NH+](CC)CC)c2ccccc2C1=O ZINC000005468499 204134705 /nfs/dbraw/zinc/13/47/05/204134705.db2.gz RIEPYFNQNCOSFH-UHFFFAOYSA-N 1 0 379.504 4.045 40 0 GIABRO COc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccc(C)cn2)c(C)c1C ZINC000012089095 204371198 /nfs/dbraw/zinc/37/11/98/204371198.db2.gz NOXULBYTQYEMCM-SVGJNIJCSA-N 1 0 380.532 4.135 40 0 GIABRO O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000012116074 204373063 /nfs/dbraw/zinc/37/30/63/204373063.db2.gz FSDIDLVMMIDKCT-IBGZPJMESA-N 1 0 378.476 4.119 40 0 GIABRO OC1(c2ccccc2F)CC[NH+](Cc2ccccc2OCc2ccccn2)CC1 ZINC000012240420 204386574 /nfs/dbraw/zinc/38/65/74/204386574.db2.gz XUGDQVFWCSZEIL-UHFFFAOYSA-N 1 0 392.474 4.283 40 0 GIABRO COc1ccc(C2(O)CC[NH+](C[C@@H](O)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000012292278 204389051 /nfs/dbraw/zinc/38/90/51/204389051.db2.gz XHDIMGDNDJKRIS-JOCHJYFZSA-N 1 0 383.532 4.010 40 0 GIABRO Cc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)cc1C ZINC000012293521 204389180 /nfs/dbraw/zinc/38/91/80/204389180.db2.gz ZHVDRMZGFHRTSL-XZOQPEGZSA-N 1 0 395.543 4.304 40 0 GIABRO CCC(=O)N1CCCc2cc([C@@H](O)C[N@H+]3CC=C(c4ccccc4)CC3)ccc21 ZINC000012291595 204390010 /nfs/dbraw/zinc/39/00/10/204390010.db2.gz OOEKHCDGDSZTSQ-DEOSSOPVSA-N 1 0 390.527 4.199 40 0 GIABRO CCn1cc(C[NH+]2CCC(NC(C)=O)(c3ccccc3F)CC2)c2ccccc21 ZINC000012344646 204398174 /nfs/dbraw/zinc/39/81/74/204398174.db2.gz YIBJYZXEVIWNCX-UHFFFAOYSA-N 1 0 393.506 4.428 40 0 GIABRO COc1ccc(C[C@@H](C(=O)OC2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c2ccccc2)cc1 ZINC000013510177 204492492 /nfs/dbraw/zinc/49/24/92/204492492.db2.gz GNHPJGJHBNDLTI-PEKDZNBDSA-N 1 0 381.516 4.436 40 0 GIABRO C[NH+](C)C1CCC2(CC1)CN(C(=O)CCc1ccccc1)Cc1ccccc1O2 ZINC000019583993 204662202 /nfs/dbraw/zinc/66/22/02/204662202.db2.gz SQXVHVMUWXEFIP-UHFFFAOYSA-N 1 0 392.543 4.283 40 0 GIABRO COC(=O)c1cccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1C ZINC000020110222 204702936 /nfs/dbraw/zinc/70/29/36/204702936.db2.gz YMMXYVFVGXRSTE-INIZCTEOSA-N 1 0 380.488 4.266 40 0 GIABRO C[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000032426199 204912323 /nfs/dbraw/zinc/91/23/23/204912323.db2.gz IJKGTGZIXMMRRF-QGZVFWFLSA-N 1 0 386.923 4.410 40 0 GIABRO O=C(Nc1ccc(Br)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038834007 205039501 /nfs/dbraw/zinc/03/95/01/205039501.db2.gz FZOOLTRGULNIDV-OAHLLOKOSA-N 1 0 391.284 4.439 40 0 GIABRO COc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1OC ZINC000038772145 205039575 /nfs/dbraw/zinc/03/95/75/205039575.db2.gz WVGREZCBBUQOBS-SFHVURJKSA-N 1 0 396.531 4.427 40 0 GIABRO COc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038849399 205039703 /nfs/dbraw/zinc/03/97/03/205039703.db2.gz KFDNCCNZAVXGID-OAHLLOKOSA-N 1 0 376.859 4.338 40 0 GIABRO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1OC ZINC000038834941 205039140 /nfs/dbraw/zinc/03/91/40/205039140.db2.gz FZJJVYJUEYRFGJ-MRXNPFEDSA-N 1 0 388.895 4.208 40 0 GIABRO Cc1cc2c(cc1C[N@H+](CCCn1ccnc1)Cc1ccc(F)cc1)OCO2 ZINC000043277684 205082113 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CCOC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000044911452 205090664 /nfs/dbraw/zinc/09/06/64/205090664.db2.gz WYMRQCIIQWMMTF-UHFFFAOYSA-N 1 0 380.488 4.022 40 0 GIABRO CC1(C)C[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c2ccccc2O1 ZINC000044918324 205091506 /nfs/dbraw/zinc/09/15/06/205091506.db2.gz OADQGKMRWGZJFF-OAQYLSRUSA-N 1 0 378.516 4.317 40 0 GIABRO Cc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(OC(C)C)cc3)CC2)cc1 ZINC000044932215 205091583 /nfs/dbraw/zinc/09/15/83/205091583.db2.gz PKINIDJUJGQGSR-UHFFFAOYSA-N 1 0 380.532 4.311 40 0 GIABRO CCOc1ccccc1CNC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000044920046 205091720 /nfs/dbraw/zinc/09/17/20/205091720.db2.gz HAFPYNLNQMOUIX-UHFFFAOYSA-N 1 0 386.923 4.267 40 0 GIABRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(Br)c2)C1 ZINC000089212687 205185864 /nfs/dbraw/zinc/18/58/64/205185864.db2.gz YUSYSDWSIRTGEE-HNNXBMFYSA-N 1 0 383.330 4.186 40 0 GIABRO Cn1cc(C[NH+]2CCC(c3cccc(Cc4ccccc4Cl)n3)CC2)cn1 ZINC000072349985 205330574 /nfs/dbraw/zinc/33/05/74/205330574.db2.gz 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ZUSJYYYHGNXTBQ-SIKLNZKXSA-N 1 0 395.499 4.296 40 0 GIABRO Cc1nc(-c2ccccc2F)sc1C(=O)N1CCC[C@@H]2[N@H+](C)CCC[C@@]21C ZINC000257338727 206181171 /nfs/dbraw/zinc/18/11/71/206181171.db2.gz YYSNZHVUTMXWJF-UWJYYQICSA-N 1 0 387.524 4.347 40 0 GIABRO Fc1ccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccccc4F)C2)OC3)cc1 ZINC000306139216 206205847 /nfs/dbraw/zinc/20/58/47/206205847.db2.gz SSICULXSHNCWRX-JOCHJYFZSA-N 1 0 381.426 4.003 40 0 GIABRO O=C(c1ccsc1)N1C[C@@]2(CC[N@@H+](Cc3cccc(F)c3)C2)c2ncccc21 ZINC000306143840 206207316 /nfs/dbraw/zinc/20/73/16/206207316.db2.gz YNZUMIJYNPFWPT-QFIPXVFZSA-N 1 0 393.487 4.086 40 0 GIABRO O=C1CC[C@@]2(c3ccccc3)CC[N@H+](CCc3ccccc3)[C@H]2CN1CC1CC1 ZINC000306133352 206201613 /nfs/dbraw/zinc/20/16/13/206201613.db2.gz MJGVWLOSQSUSOC-AHWVRZQESA-N 1 0 388.555 4.274 40 0 GIABRO c1ccc(CNc2ccc3nc([C@@H]4CCC[N@H+](Cc5cccnc5)C4)nn3c2)cc1 ZINC000306133764 206201822 /nfs/dbraw/zinc/20/18/22/206201822.db2.gz MVIYUYKPJDQMCT-OAQYLSRUSA-N 1 0 398.514 4.116 40 0 GIABRO Cc1cccc(C[N@@H+]2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)c1 ZINC000306134199 206204024 /nfs/dbraw/zinc/20/40/24/206204024.db2.gz NFOUMMKKZDPRMK-HXUWFJFHSA-N 1 0 375.520 4.018 40 0 GIABRO c1csc(-c2nc(N3CC[N@H+]4CCCC[C@@H]4C3)ncc2-c2ccsc2)n1 ZINC000072396678 136169382 /nfs/dbraw/zinc/16/93/82/136169382.db2.gz MBWVEYIKAUEFTR-OAHLLOKOSA-N 1 0 383.546 4.003 40 0 GIABRO O=C(c1ccccc1Br)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000408610705 534747528 /nfs/dbraw/zinc/74/75/28/534747528.db2.gz RPLDNIJVPXLEQH-UHFFFAOYSA-N 1 0 399.332 4.112 40 0 GIABRO C[C@@]1(O)CC[N@H+](CC2CCCC2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000514289694 560032108 /nfs/dbraw/zinc/03/21/08/560032108.db2.gz BIHQFZKXWIDZRC-QNWVGRARSA-N 1 0 398.572 4.235 40 0 biogenic,in-vitro GIABRO CN(C)c1ccc(-c2nnc([C@H]3CC[N@H+](Cc4c[nH]c5ccccc45)C3)o2)cc1 ZINC000049170213 560084526 /nfs/dbraw/zinc/08/45/26/560084526.db2.gz HSCHUKWORPMDQM-KRWDZBQOSA-N 1 0 387.487 4.273 40 0 biogenic,in-vitro GIABRO CCc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(NC2CCCCC2)[nH+]1 ZINC000329018901 570213025 /nfs/dbraw/zinc/21/30/25/570213025.db2.gz NTMGHBAFIOSNBS-INIZCTEOSA-N 1 0 380.536 4.400 40 0 GIABRO CC[C@H](C)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(C)[nH+]1 ZINC000329069116 570216710 /nfs/dbraw/zinc/21/67/10/570216710.db2.gz YVIJRUAKCTZBEF-LBPRGKRZSA-N 1 0 380.414 4.457 40 0 GIABRO Cc1nc(C2CC[NH+](Cc3ccccc3)CC2)ncc1C(=O)Nc1ccccc1 ZINC000019764165 570217197 /nfs/dbraw/zinc/21/71/97/570217197.db2.gz WVLCKVOJPXXVKG-UHFFFAOYSA-N 1 0 386.499 4.417 40 0 GIABRO O=C(N1CCCC1)N1CCC2(C[C@H]([NH2+]Cc3ccco3)c3ccccc32)CC1 ZINC000096241511 570222334 /nfs/dbraw/zinc/22/23/34/570222334.db2.gz VDVDTUPDFABLEO-NRFANRHFSA-N 1 0 379.504 4.064 40 0 GIABRO O=C(c1cscn1)N1C[C@@H]2C[NH+](Cc3ccc(-c4ccccc4)cc3)C[C@H]2C1 ZINC000096245490 570224295 /nfs/dbraw/zinc/22/42/95/570224295.db2.gz OYHPIJOLBLGACP-SFTDATJTSA-N 1 0 389.524 4.014 40 0 GIABRO O=C(Nc1ccc(N2CCCC2)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000096625969 570231458 /nfs/dbraw/zinc/23/14/58/570231458.db2.gz SWIUULWQLJUBMJ-UHFFFAOYSA-N 1 0 381.495 4.277 40 0 GIABRO COc1ccc([C@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1OC ZINC000020107040 570240071 /nfs/dbraw/zinc/24/00/71/570240071.db2.gz VYWLKICTLZXXAX-MSOLQXFVSA-N 1 0 396.531 4.427 40 0 GIABRO CC(=O)N1CCC[C@H]([NH2+]CCc2ccc(C)c(C)c2)[C@@H]1Cc1cccc(C)c1 ZINC000585283646 570251721 /nfs/dbraw/zinc/25/17/21/570251721.db2.gz BJHWLRDVQRRTTO-DQEYMECFSA-N 1 0 378.560 4.366 40 0 GIABRO Cc1cc(OC[C@@]2(O)COCC[N@@H+]([C@H]3CC[C@H](C(C)(C)C)CC3)C2)ccc1F ZINC000585287548 570258670 /nfs/dbraw/zinc/25/86/70/570258670.db2.gz OEPPLCYXPUVWAI-YDHSSHFGSA-N 1 0 393.543 4.181 40 0 GIABRO COc1cccc(CCCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000020491389 570263009 /nfs/dbraw/zinc/26/30/09/570263009.db2.gz HHJDYYWDQRBELC-UHFFFAOYSA-N 1 0 380.532 4.290 40 0 GIABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216468 570317257 /nfs/dbraw/zinc/31/72/57/570317257.db2.gz VSNSVOSKRVVHBQ-IBGZPJMESA-N 1 0 388.556 4.076 40 0 GIABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+][C@@H](C)[C@@H](O)c3ccccc3)o2)cc1 ZINC000022076230 570320611 /nfs/dbraw/zinc/32/06/11/570320611.db2.gz ZIVQDTQJVZJMLV-KSFYIVLOSA-N 1 0 379.456 4.335 40 0 GIABRO COc1ccc(OC[C@H](C)NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000022534255 570321210 /nfs/dbraw/zinc/32/12/10/570321210.db2.gz RRUNIJHZKSBPBY-IBGZPJMESA-N 1 0 396.531 4.124 40 0 GIABRO CC[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc(OC)cc1 ZINC000044936237 570322564 /nfs/dbraw/zinc/32/25/64/570322564.db2.gz ARYQIIRDHCXNGX-SIKLNZKXSA-N 1 0 384.495 4.314 40 0 GIABRO CCN(Cc1ccccc1)[C@H](c1nnnn1C(C)(C)C)c1ccc(OC)cc1 ZINC000057710486 570370525 /nfs/dbraw/zinc/37/05/25/570370525.db2.gz ISUFFXMDKRJXNP-FQEVSTJZSA-N 1 0 379.508 4.048 40 0 GIABRO CCSc1nnc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000223192172 570449118 /nfs/dbraw/zinc/44/91/18/570449118.db2.gz RCXCDTQWRLIALI-UHFFFAOYSA-N 1 0 396.969 4.154 40 0 GIABRO O[C@H](COc1cccc2ccccc21)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000029589833 570476577 /nfs/dbraw/zinc/47/65/77/570476577.db2.gz LNTLXTBBTXSOSV-NRFANRHFSA-N 1 0 396.918 4.055 40 0 GIABRO CCCSc1nnc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)s1 ZINC000223692733 570479292 /nfs/dbraw/zinc/47/92/92/570479292.db2.gz ZMKDBHTVGUPUNO-CQSZACIVSA-N 1 0 394.541 4.030 40 0 GIABRO CO[C@@]1(COc2ccccc2F)CCC[N@H+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000257249902 570488216 /nfs/dbraw/zinc/48/82/16/570488216.db2.gz JKFBYUMZYUVNNV-QFIPXVFZSA-N 1 0 383.467 4.152 40 0 GIABRO COc1ccc(CN(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000030946084 570501708 /nfs/dbraw/zinc/50/17/08/570501708.db2.gz KAXNRLLZJFCTHS-LJQANCHMSA-N 1 0 386.923 4.219 40 0 GIABRO COc1ccc(CN(C)C(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000030946087 570501802 /nfs/dbraw/zinc/50/18/02/570501802.db2.gz KAXNRLLZJFCTHS-IBGZPJMESA-N 1 0 386.923 4.219 40 0 GIABRO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(NC(=O)c2ccccc2Cl)C3)cc1 ZINC000035291752 570551228 /nfs/dbraw/zinc/55/12/28/570551228.db2.gz KDHDZXKMUXQSHP-AYHJJNSGSA-N 1 0 384.907 4.274 40 0 GIABRO Cc1ccc(NC(=S)N2CC[NH+](C3Cc4ccccc4C3)CC2)c(Cl)c1 ZINC000225210249 570556666 /nfs/dbraw/zinc/55/66/66/570556666.db2.gz TYTBBRMRPRQVBI-UHFFFAOYSA-N 1 0 385.964 4.130 40 0 GIABRO Fc1ccccc1NC(=S)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000035780467 570557710 /nfs/dbraw/zinc/55/77/10/570557710.db2.gz AMMVHVUHCPVNCO-XWDORNJCSA-N 1 0 385.552 4.418 40 0 GIABRO CCCCOC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000010324705 570568847 /nfs/dbraw/zinc/56/88/47/570568847.db2.gz SJSZXLVRFWOPME-UHFFFAOYSA-N 1 0 380.488 4.492 40 0 GIABRO COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@H](C)[N@@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000002312405 570589691 /nfs/dbraw/zinc/58/96/91/570589691.db2.gz GFUQQOVSQZRWCR-NPGVVQFXSA-N 1 0 397.519 4.182 40 0 GIABRO CC(C)[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004230371 570624517 /nfs/dbraw/zinc/62/45/17/570624517.db2.gz OADOJOVGDNHLFX-HSZRJFAPSA-N 1 0 389.547 4.373 40 0 GIABRO OC1(c2cccnc2)CC[NH+](CC2(c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000012364467 570646779 /nfs/dbraw/zinc/64/67/79/570646779.db2.gz LNXRLAWEAQZERJ-UHFFFAOYSA-N 1 0 377.315 4.404 40 0 GIABRO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000045621550 570647579 /nfs/dbraw/zinc/64/75/79/570647579.db2.gz ORRPXKZMICSMGJ-IBGZPJMESA-N 1 0 395.547 4.276 40 0 GIABRO O=C(OCc1ccccc1)N1C[C@@H](OCc2ccccc2)C[C@H]1C[NH+]1CCCC1 ZINC000012651002 570694985 /nfs/dbraw/zinc/69/49/85/570694985.db2.gz RWSANADENYLJKX-GOTSBHOMSA-N 1 0 394.515 4.079 40 0 GIABRO Cc1cccn2c(CN3CC[NH2+]CC3)c(-c3ccc(-c4ccccc4)cc3)nc12 ZINC000022464798 570742967 /nfs/dbraw/zinc/74/29/67/570742967.db2.gz HFHDIIDSDWZDOT-UHFFFAOYSA-N 1 0 382.511 4.382 40 0 GIABRO CCOc1cccc(C(=O)NC(=S)Nc2ccc(C[NH+](CC)CC)cc2)c1 ZINC000006629899 570748145 /nfs/dbraw/zinc/74/81/45/570748145.db2.gz IDAMNYMHBWAMBP-UHFFFAOYSA-N 1 0 385.533 4.054 40 0 GIABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+][C@H](C)c3ccccc3)o2)c1 ZINC000007540560 570760586 /nfs/dbraw/zinc/76/05/86/570760586.db2.gz CHSGEMMPMGLJLM-OAHLLOKOSA-N 1 0 393.439 4.371 40 0 GIABRO Cc1cc(Nc2ncccn2)cc([C@@H]2CCN(C(=O)CCC3CCCC3)C2)[nH+]1 ZINC000257221217 570763171 /nfs/dbraw/zinc/76/31/71/570763171.db2.gz DOAKKSYIXSGQTP-GOSISDBHSA-N 1 0 379.508 4.210 40 0 GIABRO Clc1ccc(C[N@H+](CCCN2CCOCC2)Cc2cccnc2)cc1Cl ZINC000013569039 570850785 /nfs/dbraw/zinc/85/07/85/570850785.db2.gz JDAVCWKENDGKHX-UHFFFAOYSA-N 1 0 394.346 4.113 40 0 GIABRO CC1(C)CC(N(Cc2ccncc2)Cc2ccc3c(c2)CCO3)CC(C)(C)[NH2+]1 ZINC000013992724 570869037 /nfs/dbraw/zinc/86/90/37/570869037.db2.gz SSBHWBUDJKSOJD-UHFFFAOYSA-N 1 0 379.548 4.328 40 0 GIABRO C[NH2+]C[C@H]1CC[C@H](c2cc(CN(C)Cc3cccc4cccnc43)n(C)n2)CC1 ZINC000257303747 570906347 /nfs/dbraw/zinc/90/63/47/570906347.db2.gz SINFODVGMMVUPA-WGSAOQKQSA-N 1 0 391.563 4.094 40 0 GIABRO Cc1noc(C)c1C(=O)N1CCC[C@]2(CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000585100569 570924851 /nfs/dbraw/zinc/92/48/51/570924851.db2.gz NTNHLORCUDGROV-QFIPXVFZSA-N 1 0 385.483 4.091 40 0 GIABRO C[C@H](c1ccccc1)[N@@H+]1CCOC[C@]2(CC(=O)N([C@@H](C)c3ccccc3)C2)C1 ZINC000585103565 570929216 /nfs/dbraw/zinc/92/92/16/570929216.db2.gz DMRCQCJPAVDZMB-JXALWOEJSA-N 1 0 378.516 4.060 40 0 GIABRO COc1cccc(C[NH+]2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c1 ZINC000019082046 570956055 /nfs/dbraw/zinc/95/60/55/570956055.db2.gz LGEAGVZAWGWKMQ-JOCHJYFZSA-N 1 0 395.547 4.206 40 0 GIABRO Cc1cc(C[C@@H]2COC[C@H]2[N@H+](Cc2ccncc2)Cc2ccc(Cl)cc2)on1 ZINC000019120609 570956987 /nfs/dbraw/zinc/95/69/87/570956987.db2.gz WHAUOBGWABBOFA-DENIHFKCSA-N 1 0 397.906 4.291 40 0 GIABRO COCCn1c(C)cc2cc(NC(=O)CC3=CC(C)(C)[NH2+]C(C)(C)C3)ccc21 ZINC000019126271 570957883 /nfs/dbraw/zinc/95/78/83/570957883.db2.gz OABDBOSRRUBKOY-UHFFFAOYSA-N 1 0 383.536 4.402 40 0 GIABRO COc1ccc(C)cc1C[N@@H+]1CCCC[C@H]1c1cc(=O)[nH]c(-c2cccnc2)n1 ZINC000019133499 570958322 /nfs/dbraw/zinc/95/83/22/570958322.db2.gz GETVSESTLZFTJL-FQEVSTJZSA-N 1 0 390.487 4.288 40 0 GIABRO COc1c(C)cccc1C[NH2+][C@H](Cc1cc(=O)[nH]c(C)n1)c1ccc(Cl)cc1 ZINC000019236021 570966438 /nfs/dbraw/zinc/96/64/38/570966438.db2.gz WUXMCOYAKZZKNT-HXUWFJFHSA-N 1 0 397.906 4.122 40 0 GIABRO [NH3+][C@H]1CCc2nc(-c3cccnc3)nc(Nc3cccc(C(F)(F)F)c3)c2C1 ZINC000019330742 570974991 /nfs/dbraw/zinc/97/49/91/570974991.db2.gz HIZKGMWQBGFEAP-AWEZNQCLSA-N 1 0 385.393 4.117 40 0 GIABRO [NH3+][C@@H]1CCc2nc(-c3ccncc3)nc(Nc3cccc(C(F)(F)F)c3)c2C1 ZINC000019330746 570975091 /nfs/dbraw/zinc/97/50/91/570975091.db2.gz VVBCQITZYZRPSU-CQSZACIVSA-N 1 0 385.393 4.117 40 0 GIABRO COc1ccccc1-c1ccc(C[NH+]2CCC(N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000019497387 570990419 /nfs/dbraw/zinc/99/04/19/570990419.db2.gz VCPMNXIKEUVYHL-WOJBJXKFSA-N 1 0 394.559 4.436 40 0 GIABRO Cc1ncsc1-c1nnc([C@@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)o1 ZINC000019562807 571006367 /nfs/dbraw/zinc/00/63/67/571006367.db2.gz RQNUJRYMHMGNNB-CYBMUJFWSA-N 1 0 376.432 4.159 40 0 GIABRO COc1cc(C)c(C[NH+]2CCC(c3cc4ncccc4cn3)CC2)cc1OC ZINC000019567063 571008276 /nfs/dbraw/zinc/00/82/76/571008276.db2.gz QYIRFLQFKYNWFO-UHFFFAOYSA-N 1 0 377.488 4.335 40 0 GIABRO CN(C)c1cc([C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)nc(-c2ccncc2)n1 ZINC000019584586 571015293 /nfs/dbraw/zinc/01/52/93/571015293.db2.gz SRODBANAAFVVCH-IBGZPJMESA-N 1 0 391.494 4.123 40 0 GIABRO O=C(Cc1cccc2cccnc21)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000019662684 571026552 /nfs/dbraw/zinc/02/65/52/571026552.db2.gz DOPLWNHIWBKLCX-UHFFFAOYSA-N 1 0 387.527 4.470 40 0 GIABRO COc1cc(C)ccc1C[NH+]1CCC(c2ccc(-c3cnn(C)c3)cn2)CC1 ZINC000019688091 571028654 /nfs/dbraw/zinc/02/86/54/571028654.db2.gz AICPKJHMKCVVCI-UHFFFAOYSA-N 1 0 376.504 4.179 40 0 GIABRO Cc1cc(C)n([C@H](C)C(=O)Nc2nc(-c3ccc(C)cc3)c(C[NH+](C)C)s2)n1 ZINC000019716896 571039139 /nfs/dbraw/zinc/03/91/39/571039139.db2.gz BDWGUBXKVYXEMS-MRXNPFEDSA-N 1 0 397.548 4.193 40 0 GIABRO O=C(C[C@H]1CC2(CC[NH+](Cc3cccnc3)CC2)c2ccccc21)NCC1CC1 ZINC000096052680 571097569 /nfs/dbraw/zinc/09/75/69/571097569.db2.gz BSNCFMKUWDPCFO-NRFANRHFSA-N 1 0 389.543 4.019 40 0 GIABRO CN(C)C(=O)C[C@@H]1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000096052709 571097640 /nfs/dbraw/zinc/09/76/40/571097640.db2.gz FLNUUHCBDDQJTF-LJQANCHMSA-N 1 0 380.507 4.325 40 0 GIABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccoc3)CC2)c2ccccc21)NC1CCC1 ZINC000096052744 571097662 /nfs/dbraw/zinc/09/76/62/571097662.db2.gz JLNQAFUTWRKYSQ-IBGZPJMESA-N 1 0 378.516 4.360 40 0 GIABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccoc3)CC2)Oc2ccccc21)NC1CCC1 ZINC000096053379 571098029 /nfs/dbraw/zinc/09/80/29/571098029.db2.gz WOGJFNDNPKHRBK-LJQANCHMSA-N 1 0 394.515 4.239 40 0 GIABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccoc3)CC2)Oc2ccccc21)N1CCCC1 ZINC000096053208 571098037 /nfs/dbraw/zinc/09/80/37/571098037.db2.gz WXOROVCRWQPUKL-FQEVSTJZSA-N 1 0 394.515 4.193 40 0 GIABRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@H](CC(=O)NC(C)C)c2ccccc2O3)o1 ZINC000096053317 571098074 /nfs/dbraw/zinc/09/80/74/571098074.db2.gz HKUYVLPVSQAPID-IBGZPJMESA-N 1 0 396.531 4.404 40 0 GIABRO O[C@@]1(c2cccs2)CN(c2cccc(C(F)(F)F)c2)C2=[N+]1CCCCC2 ZINC000015230836 818300852 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CCN(Cc1ccc(OC)c(Cn2ccnc2C)c1)[C@H]1C[NH2+]C2(C1)CCCCC2 ZINC000257243790 206166995 /nfs/dbraw/zinc/16/69/95/206166995.db2.gz IIOBHAVQSSOHIW-JOCHJYFZSA-N 1 0 396.579 4.135 40 0 GIABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1cc(-c3ccccc3Cl)no1)C2 ZINC000257327002 206179459 /nfs/dbraw/zinc/17/94/59/206179459.db2.gz WZLLLPWUNLRULR-SHXMKPCDSA-N 1 0 399.922 4.472 40 0 GIABRO Fc1ccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4cccc(F)c4)C2)OC3)cc1 ZINC000306140134 206204940 /nfs/dbraw/zinc/20/49/40/206204940.db2.gz ULIQQHOIJMWBPG-JOCHJYFZSA-N 1 0 381.426 4.003 40 0 GIABRO Cc1ccsc1C[N@@H+]1CC[C@]2(CN(C(=O)c3ccsc3)c3cccnc32)C1 ZINC000306144670 206207923 /nfs/dbraw/zinc/20/79/23/206207923.db2.gz ZLSNUVBBXYFKPW-OAQYLSRUSA-N 1 0 395.553 4.317 40 0 GIABRO c1cc(C[N@H+]2CCC[C@H](c3nc4ccc(NCc5ccccc5)cn4n3)C2)co1 ZINC000306143337 206207983 /nfs/dbraw/zinc/20/79/83/206207983.db2.gz XZQAOPJZSMIDTF-FQEVSTJZSA-N 1 0 387.487 4.314 40 0 GIABRO Fc1cccc(-c2ccc3nc([C@@H]4CCC[N@H+](Cc5ccccn5)C4)nn3c2)c1 ZINC000306123771 206198055 /nfs/dbraw/zinc/19/80/55/206198055.db2.gz AWGPQXFGLHRZKN-LJQANCHMSA-N 1 0 387.462 4.310 40 0 GIABRO Clc1ccccc1C[N@@H+]1CCC[C@H](c2nc3ccc(N4CCCC4)cn3n2)C1 ZINC000306129531 206200037 /nfs/dbraw/zinc/20/00/37/206200037.db2.gz IGDOXSAZJOKTPI-SFHVURJKSA-N 1 0 395.938 4.363 40 0 GIABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(-c4cccc(F)c4)cnc2CO3)s1 ZINC000306133142 206200579 /nfs/dbraw/zinc/20/05/79/206200579.db2.gz MDEKIGIBODGDQE-OAQYLSRUSA-N 1 0 383.492 4.234 40 0 GIABRO Fc1ccccc1-c1ccc2nnc(C3CC[NH+](Cc4ccsc4)CC3)n2n1 ZINC000306136345 206202729 /nfs/dbraw/zinc/20/27/29/206202729.db2.gz PQODHRDSMVHNQF-UHFFFAOYSA-N 1 0 393.491 4.372 40 0 GIABRO Fc1cccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccccc4F)C2)OC3)c1 ZINC000306136879 206203654 /nfs/dbraw/zinc/20/36/54/206203654.db2.gz QFNSHASIQBJEOI-QFIPXVFZSA-N 1 0 381.426 4.003 40 0 GIABRO Cc1ccc(C[N@@H+]2CC[C@]3(CN(Cc4cccnc4)c4cccnc43)C2)s1 ZINC000306135079 206203809 /nfs/dbraw/zinc/20/38/09/206203809.db2.gz OHJGWNVEKAHWRJ-JOCHJYFZSA-N 1 0 376.529 4.010 40 0 GIABRO C[NH+](C)CC(C)(C)CNC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000012118155 221153530 /nfs/dbraw/zinc/15/35/30/221153530.db2.gz BRVXXWBWGFZMMQ-UHFFFAOYSA-N 1 0 394.441 4.162 40 0 GIABRO COc1ccc2nc(Cl)c(C[NH2+]C[C@H]3CCCO3)c(N3CCCCC3)c2c1 ZINC000005017413 136194457 /nfs/dbraw/zinc/19/44/57/136194457.db2.gz JBHPYWPYBQJJEV-MRXNPFEDSA-N 1 0 389.927 4.156 40 0 GIABRO CC(C)[C@@H]([NH2+]Cc1cccc(F)c1)c1cc(=O)n2nc(-c3ccccn3)cc2[nH]1 ZINC000100744462 519799054 /nfs/dbraw/zinc/79/90/54/519799054.db2.gz JDLUILSFDBTEGZ-JOCHJYFZSA-N 1 0 391.450 4.123 40 0 GIABRO C=C1[NH+]=C(SC(C)C)N[C@@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000408988603 528617762 /nfs/dbraw/zinc/61/77/62/528617762.db2.gz IMPMOLXNKAUAKT-HNNXBMFYSA-N 1 0 397.338 4.428 40 0 GIABRO Cc1nc(N2CCc3ccc(Br)cc3C2)cc(NC2CCCC2)[nH+]1 ZINC000329067386 570215921 /nfs/dbraw/zinc/21/59/21/570215921.db2.gz YILZIKTUYUTFGL-UHFFFAOYSA-N 1 0 387.325 4.465 40 0 GIABRO O=C(N1CCCC1)N1CCC2(C[C@@H]([NH2+]Cc3ccco3)c3ccccc32)CC1 ZINC000096241510 570222489 /nfs/dbraw/zinc/22/24/89/570222489.db2.gz VDVDTUPDFABLEO-OAQYLSRUSA-N 1 0 379.504 4.064 40 0 GIABRO Cc1cnc(Nc2cccc([C@@H]3CCC[N@@H+](Cc4cnn(C)c4C)C3)n2)s1 ZINC000585262708 570230227 /nfs/dbraw/zinc/23/02/27/570230227.db2.gz VHGXAARSUVMMSL-MRXNPFEDSA-N 1 0 382.537 4.012 40 0 GIABRO CC(=O)N1CCCC[C@@H]2[N@H+](C[C@@]3(O)CC[C@H](c4ccccc4)CC3)CCC[C@@]21C ZINC000585282951 570250834 /nfs/dbraw/zinc/25/08/34/570250834.db2.gz KHTSNHIXIFWBKC-OJJQZRKESA-N 1 0 398.591 4.331 40 0 GIABRO CC1CC[NH+](Cc2ccc(C(=O)NCc3ccc(-n4ccnc4)cc3)cc2)CC1 ZINC000020485382 570262155 /nfs/dbraw/zinc/26/21/55/570262155.db2.gz QMOFJGRUSDLKKX-UHFFFAOYSA-N 1 0 388.515 4.034 40 0 GIABRO COc1ccc2nc(-c3cccs3)cc([C@@H](O)C[NH+]3CCSCC3)c2c1 ZINC000001618494 570266078 /nfs/dbraw/zinc/26/60/78/570266078.db2.gz OKNKEAGLYVCUDV-IBGZPJMESA-N 1 0 386.542 4.054 40 0 GIABRO c1ccc(C(c2ccccc2)[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000022463243 570317551 /nfs/dbraw/zinc/31/75/51/570317551.db2.gz ORAUEDBBTFLQSK-UHFFFAOYSA-N 1 0 386.495 4.323 40 0 in-man GIABRO Cc1sc2[nH]c([C@@H](C)[NH2+][C@H](C)c3ccc(-n4ccnc4)cc3)nc(=O)c2c1C ZINC000023873327 570333859 /nfs/dbraw/zinc/33/38/59/570333859.db2.gz OPNKHZPGILHODS-ZIAGYGMSSA-N 1 0 393.516 4.199 40 0 GIABRO Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000219237860 570350467 /nfs/dbraw/zinc/35/04/67/570350467.db2.gz IVVRGOLSTRSIOL-WOJBJXKFSA-N 1 0 380.532 4.424 40 0 GIABRO COC(=O)c1cn(C(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c2ccccc12 ZINC000222615792 570416931 /nfs/dbraw/zinc/41/69/31/570416931.db2.gz WVJWFXJIQDQLKE-QGZVFWFLSA-N 1 0 390.483 4.348 40 0 GIABRO Cn1c(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc2ccccc21 ZINC000257198542 570447296 /nfs/dbraw/zinc/44/72/96/570447296.db2.gz BZWKNVPOTFOSOP-LNGMVNIQSA-N 1 0 389.543 4.214 40 0 GIABRO O=C(NCCSc1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039755152 570447939 /nfs/dbraw/zinc/44/79/39/570447939.db2.gz FUQQJZAPXXDAIB-UHFFFAOYSA-N 1 0 388.964 4.461 40 0 GIABRO Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653121606 570464651 /nfs/dbraw/zinc/46/46/51/570464651.db2.gz ZXCWNDSPGXIVKR-MSOLQXFVSA-N 1 0 392.478 4.157 40 0 GIABRO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000032896600 570515158 /nfs/dbraw/zinc/51/51/58/570515158.db2.gz DPLJKSZLSKHBJU-SFHVURJKSA-N 1 0 395.547 4.142 40 0 GIABRO Cc1ccc(O[C@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1C ZINC000224685361 570524512 /nfs/dbraw/zinc/52/45/12/570524512.db2.gz GXNZRWFUDQKENZ-HXUWFJFHSA-N 1 0 380.532 4.373 40 0 GIABRO COc1ccc(CCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1C ZINC000224699761 570525512 /nfs/dbraw/zinc/52/55/12/570525512.db2.gz RYZBGMPANYAENN-UHFFFAOYSA-N 1 0 380.532 4.239 40 0 GIABRO Cc1ccccc1OCc1nnc(SCC[NH+]2CCCC2)n1-c1ccccc1 ZINC000001356139 570574519 /nfs/dbraw/zinc/57/45/19/570574519.db2.gz QCXXSOISNANRNA-UHFFFAOYSA-N 1 0 394.544 4.343 40 0 GIABRO COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@H+]3CCCC(=O)c2ccc(C)cc2)cc1 ZINC000012113127 570609023 /nfs/dbraw/zinc/60/90/23/570609023.db2.gz BTLVJPHRSSORQX-OFFJZUQKSA-N 1 0 393.527 4.481 40 0 GIABRO CC[NH+](CC)CCCNc1cc(C)nc2c(-c3ccc(OC)cc3)c(C)nn21 ZINC000012113328 570609358 /nfs/dbraw/zinc/60/93/58/570609358.db2.gz KJXSVKUELHUHRH-UHFFFAOYSA-N 1 0 381.524 4.166 40 0 GIABRO COc1ccc(CN(C)C(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1OC ZINC000044880259 570638033 /nfs/dbraw/zinc/63/80/33/570638033.db2.gz HMFYXOUHQFNILR-UHFFFAOYSA-N 1 0 396.531 4.208 40 0 GIABRO CCOc1cc(/C=C/c2cc[n+](C)cc2)ccc1OCC(=O)Nc1ccccc1 ZINC000005002283 570652226 /nfs/dbraw/zinc/65/22/26/570652226.db2.gz QXSVCQFHFJPFGB-MDZDMXLPSA-O 1 0 389.475 4.098 40 0 GIABRO Cc1ccc(-c2cc3nc4c(c(NCC(C)(C)C[NH+](C)C)n3n2)CCC4)cc1 ZINC000004980230 570655887 /nfs/dbraw/zinc/65/58/87/570655887.db2.gz SNZRUQQVUANTNS-UHFFFAOYSA-N 1 0 377.536 4.193 40 0 GIABRO CCOC1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@H](C)C3)cc2)CCCCC1 ZINC000260814718 570707849 /nfs/dbraw/zinc/70/78/49/570707849.db2.gz MXUUBFHYCXBPND-IBGZPJMESA-N 1 0 388.552 4.475 40 0 GIABRO Cc1ccn2c(c1)nc(-c1ccc(-c3ccccc3)cc1)c2CN1CC[NH2+]CC1 ZINC000022464792 570742940 /nfs/dbraw/zinc/74/29/40/570742940.db2.gz JIAZBFGHSHUZCT-UHFFFAOYSA-N 1 0 382.511 4.382 40 0 GIABRO CCOC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c(C)c1 ZINC000013649466 570766793 /nfs/dbraw/zinc/76/67/93/570766793.db2.gz VVJRLOLNBCTMHO-UHFFFAOYSA-N 1 0 380.488 4.410 40 0 GIABRO CC[N@H+](C)[C@H]1CN(C(=O)c2cc3c(cc(OC)cc3OC)[nH]2)C2(C1)CCCCC2 ZINC000019703925 570819648 /nfs/dbraw/zinc/81/96/48/570819648.db2.gz CZRHRSPJNVLFET-MRXNPFEDSA-N 1 0 399.535 4.054 40 0 GIABRO Cc1ccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCCC3)cc2)cc1Cl ZINC000016312744 570922427 /nfs/dbraw/zinc/92/24/27/570922427.db2.gz IFSZVHXKFCSYFL-UHFFFAOYSA-N 1 0 387.936 4.371 40 0 GIABRO Cc1nc(CN2C(=O)CC[C@@]23CCC[N@H+](CCc2ccccc2)CC3)cs1 ZINC000585100548 570924620 /nfs/dbraw/zinc/92/46/20/570924620.db2.gz NCECNUWTKVRNAW-JOCHJYFZSA-N 1 0 383.561 4.041 40 0 GIABRO Cc1ccc(C)c(C[N@H+]2CCOC[C@@]3(CC(=O)N([C@H](C)c4ccccc4)C3)C2)c1 ZINC000585104794 570933598 /nfs/dbraw/zinc/93/35/98/570933598.db2.gz UCTLJIUXJAMCEK-BWKNWUBXSA-N 1 0 392.543 4.116 40 0 GIABRO COc1ccc(C[NH+]2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)cc1 ZINC000019082032 570955994 /nfs/dbraw/zinc/95/59/94/570955994.db2.gz HEBUSWSKGZAUEF-JOCHJYFZSA-N 1 0 395.547 4.206 40 0 GIABRO Cc1cc(C(F)(F)F)n2nc([C@H]3CC[N@H+](CCCc4ccccc4)C3)cc2n1 ZINC000019117069 570957140 /nfs/dbraw/zinc/95/71/40/570957140.db2.gz CUNOPEHVWYTIBK-KRWDZBQOSA-N 1 0 388.437 4.479 40 0 GIABRO O=C(C[C@H]([NH2+]Cc1cccnc1)c1ccccc1)c1cc2ccccc2oc1=O ZINC000019203802 570960181 /nfs/dbraw/zinc/96/01/81/570960181.db2.gz RROWDJCLCBRYJF-NRFANRHFSA-N 1 0 384.435 4.292 40 0 GIABRO Cc1ccsc1C[N@H+](CCCN1CCOCC1)Cc1ccnc2ccccc12 ZINC000019238588 570967731 /nfs/dbraw/zinc/96/77/31/570967731.db2.gz NTXFOMIOGSWEBJ-UHFFFAOYSA-N 1 0 395.572 4.329 40 0 GIABRO O[C@@]12CCCC[C@@H]1[C@H](c1ccc3c(c1)OCO3)[N@H+](Cc1ccc(F)cc1)CC2 ZINC000004301583 570971243 /nfs/dbraw/zinc/97/12/43/570971243.db2.gz NHBIUSXQFCMSRS-WTIAFYNJSA-N 1 0 383.463 4.423 40 0 GIABRO c1ccc(OCCCC[NH+]2CCC(c3nnc(-c4cccnc4)o3)CC2)cc1 ZINC000019373499 570981611 /nfs/dbraw/zinc/98/16/11/570981611.db2.gz RYILWMGBHFIOQN-UHFFFAOYSA-N 1 0 378.476 4.170 40 0 GIABRO COc1ccc([C@@H]2CN(C(=O)C3CCCC3)[C@H]3CC[N@@H+](C4CCCC4)C[C@@H]23)cc1 ZINC000019557292 571003851 /nfs/dbraw/zinc/00/38/51/571003851.db2.gz PLNPXIHNQFRJQF-HJOGWXRNSA-N 1 0 396.575 4.444 40 0 GIABRO Cc1oc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1C[NH+]1CCCC1 ZINC000019582530 571013531 /nfs/dbraw/zinc/01/35/31/571013531.db2.gz NAVYFCZAZWTBSC-UHFFFAOYSA-N 1 0 381.501 4.483 40 0 GIABRO CNc1cc([C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)nc(-c2ccncc2)n1 ZINC000019592277 571019300 /nfs/dbraw/zinc/01/93/00/571019300.db2.gz IIPIEJSCWAXUFM-SFHVURJKSA-N 1 0 377.467 4.099 40 0 GIABRO CCn1ncc(C[N@@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccccc2)c1C ZINC000019690130 571029287 /nfs/dbraw/zinc/02/92/87/571029287.db2.gz LLJIJJHVUKLRSL-NRFANRHFSA-N 1 0 390.535 4.072 40 0 GIABRO COc1cccc(Cc2cc(C)nc([C@H]3CCC[N@@H+]3Cc3cnn(C)c3)c2)c1 ZINC000019692014 571029580 /nfs/dbraw/zinc/02/95/80/571029580.db2.gz DARIAIDVLDXRCU-HSZRJFAPSA-N 1 0 376.504 4.060 40 0 GIABRO CCN1CCn2c(-c3ccccc3)cnc2C12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000096037032 571096398 /nfs/dbraw/zinc/09/63/98/571096398.db2.gz ILXAVCWZJSYYIC-UHFFFAOYSA-N 1 0 390.531 4.278 40 0 GIABRO CC[NH+](CC)CCCNC(=O)c1cc2c(c3ccccc3n2CC2CC2)n1C ZINC000096037425 571096825 /nfs/dbraw/zinc/09/68/25/571096825.db2.gz DRLOEZVCRXLWCK-UHFFFAOYSA-N 1 0 380.536 4.005 40 0 GIABRO Fc1cccc(-c2ccc3nc(C4CC[NH+](Cc5ccncc5)CC4)nn3c2)c1 ZINC000096038203 571097097 /nfs/dbraw/zinc/09/70/97/571097097.db2.gz BIEDPXYWKHOBSX-UHFFFAOYSA-N 1 0 387.462 4.310 40 0 GIABRO COc1cccc(C[NH+]2CCC3(CCN(C(=O)Cc4ccc(C)cc4)C3)CC2)c1 ZINC000096046648 571097118 /nfs/dbraw/zinc/09/71/18/571097118.db2.gz RKKOAOCFAMKTNZ-UHFFFAOYSA-N 1 0 392.543 4.061 40 0 GIABRO c1cc(C[NH+]2CCC(c3nc4ccc(-c5ccncc5)cn4n3)CC2)cs1 ZINC000096038243 571097402 /nfs/dbraw/zinc/09/74/02/571097402.db2.gz ZLTIMQFAKVHKCT-UHFFFAOYSA-N 1 0 375.501 4.232 40 0 GIABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccoc3)CC2)c2ccccc21)NCC1CC1 ZINC000096052663 571097564 /nfs/dbraw/zinc/09/75/64/571097564.db2.gz MEWRKBKXKOMOJC-HXUWFJFHSA-N 1 0 378.516 4.217 40 0 GIABRO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@@H]([C@@H](NC(=O)C2CC2)c2ccccn2)C1 ZINC000019014378 818584645 /nfs/dbraw/zinc/58/46/45/818584645.db2.gz PJTRSEHMOFUPPA-ZLGKEQQUSA-N 1 0 389.543 4.464 40 0 GIABRO COc1ccccc1OCc1cc([C@H]2CC[N@H+](CCCc3ccccc3)C2)n[nH]1 ZINC000019696396 818599997 /nfs/dbraw/zinc/59/99/97/818599997.db2.gz DHZYQEOSTBKWMS-FQEVSTJZSA-N 1 0 391.515 4.419 40 0 GIABRO COc1ccccc1OCc1cc([C@@H]2CC[N@H+](CCCc3ccccc3)C2)n[nH]1 ZINC000019696395 818600178 /nfs/dbraw/zinc/60/01/78/818600178.db2.gz DHZYQEOSTBKWMS-HXUWFJFHSA-N 1 0 391.515 4.419 40 0 GIABRO CCC[N@@H+]1CCC[C@](O)(c2nc(C)c(COc3ccc(OC)cc3)s2)CC1 ZINC000019705281 818601587 /nfs/dbraw/zinc/60/15/87/818601587.db2.gz SQLDVRGFAPMXJF-OAQYLSRUSA-N 1 0 390.549 4.123 40 0 GIABRO CC[N@@H+]1CCC[C@@](O)(c2nc(C)c(CCOc3ccc(F)c(F)c3)s2)CC1 ZINC000019705432 818601953 /nfs/dbraw/zinc/60/19/53/818601953.db2.gz OOGNFECQGFEIPU-FQEVSTJZSA-N 1 0 396.503 4.045 40 0 GIABRO CC(=O)N1CCCCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(OCc2ccccn2)cc1 ZINC000019712065 818602437 /nfs/dbraw/zinc/60/24/37/818602437.db2.gz XSGUXRRURWZXMC-RPWUZVMVSA-N 1 0 393.531 4.026 40 0 GIABRO CC(=O)N1CCCCC[C@@H]2[N@H+](Cc3nc4ccccc4n3C(C)C)CC[C@@]21C ZINC000019713381 818603266 /nfs/dbraw/zinc/60/32/66/818603266.db2.gz BPQHRFGEYJTHPT-GMAHTHKFSA-N 1 0 382.552 4.373 40 0 GIABRO COc1cccc(C[N@@H+]2CC[C@H](c3cc(COc4ccc(F)cc4)[nH]n3)C2)c1 ZINC000019738952 818604206 /nfs/dbraw/zinc/60/42/06/818604206.db2.gz BDTPNOPDWMHOIB-KRWDZBQOSA-N 1 0 381.451 4.126 40 0 GIABRO Cc1nc(C2CC[NH+](CC(C)(C)C)CC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019766558 818604945 /nfs/dbraw/zinc/60/49/45/818604945.db2.gz JOZCBVJZDRDGOV-UHFFFAOYSA-N 1 0 398.526 4.080 40 0 GIABRO COc1ccccc1C(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000408609720 231078258 /nfs/dbraw/zinc/07/82/58/231078258.db2.gz OMEDMLMZLXNGBX-UHFFFAOYSA-N 1 0 378.516 4.214 40 0 GIABRO Cc1cc(Nc2cc(-c3ccccn3)nc(NCCC[NH+](C)C)n2)ccc1Cl ZINC000328994528 203769579 /nfs/dbraw/zinc/76/95/79/203769579.db2.gz JFGVYZDIIXRSNN-UHFFFAOYSA-N 1 0 396.926 4.030 40 0 GIABRO Cc1ccc2[nH]c(C3CC[NH+](CC(=O)Nc4ccc(C)cc4C)CC3)nc2c1 ZINC000005625950 204142887 /nfs/dbraw/zinc/14/28/87/204142887.db2.gz GESJCCYMXCXDBY-UHFFFAOYSA-N 1 0 376.504 4.306 40 0 GIABRO CC[NH+](CC)CCOC(=O)[C@@](O)(c1cc(C)c(C)c(C)c1)C1CCCCC1 ZINC000006382251 204175558 /nfs/dbraw/zinc/17/55/58/204175558.db2.gz LODYVPREWYSIAK-QHCPKHFHSA-N 1 0 375.553 4.265 40 0 GIABRO CC1(C)[C@H](Cc2cc(C[NH+]3CCCCC3)on2)C[C@@H]1NC(=O)c1cccc(F)c1 ZINC000067890113 204259419 /nfs/dbraw/zinc/25/94/19/204259419.db2.gz INQLSJJPKVCIHW-UTKZUKDTSA-N 1 0 399.510 4.187 40 0 biogenic,in-vitro GIABRO CC(C)C(=O)N[C@@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012183317 204378851 /nfs/dbraw/zinc/37/88/51/204378851.db2.gz FCNURHAGHGRJLO-SJLPKXTDSA-N 1 0 375.513 4.008 40 0 GIABRO COc1ccc([C@@H](O)C[NH+]2CCC3(C=Cc4cc(C)c(C)cc4O3)CC2)cc1 ZINC000012188025 204379563 /nfs/dbraw/zinc/37/95/63/204379563.db2.gz MJJMCXHIXQXQBO-QFIPXVFZSA-N 1 0 379.500 4.286 40 0 GIABRO COc1ccc(C[N@@H+](Cc2oc3ccc(C)cc3c2C)C[C@@H](C)O)cc1OC ZINC000012185603 204379612 /nfs/dbraw/zinc/37/96/12/204379612.db2.gz IFTCNTNNIMDVRJ-MRXNPFEDSA-N 1 0 383.488 4.450 40 0 GIABRO COc1ccc(CN(Cc2cn(C)nc2C)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000012186550 204379713 /nfs/dbraw/zinc/37/97/13/204379713.db2.gz YEOHPYKNCNFBPT-UHFFFAOYSA-N 1 0 384.568 4.049 40 0 GIABRO O=C(NC1CC[NH+](C[C@H](c2ccccc2)C2CCCCC2)CC1)[C@@H]1CCCO1 ZINC000012188796 204381351 /nfs/dbraw/zinc/38/13/51/204381351.db2.gz FQKNNQQPTGBZMT-PKTZIBPZSA-N 1 0 384.564 4.110 40 0 GIABRO O[C@H](C[NH+]1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000012292047 204389367 /nfs/dbraw/zinc/38/93/67/204389367.db2.gz CSTQJPJUMCOHAR-GOSISDBHSA-N 1 0 399.840 4.376 40 0 GIABRO CCc1cccc2c(C[NH+]3CCC(NC(C)=O)(c4ccccc4F)CC3)c[nH]c21 ZINC000012344267 204398542 /nfs/dbraw/zinc/39/85/42/204398542.db2.gz OKWAYCCXNOQSSM-UHFFFAOYSA-N 1 0 393.506 4.497 40 0 GIABRO C[NH+](C)CCC1CCN(C(=O)c2cc(-c3ccccn3)nc3ccccc32)CC1 ZINC000019666734 204670328 /nfs/dbraw/zinc/67/03/28/204670328.db2.gz WCTZABNGHLJISO-UHFFFAOYSA-N 1 0 388.515 4.101 40 0 GIABRO COc1ccc(CN(Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)c(OC)c1 ZINC000036740524 205021780 /nfs/dbraw/zinc/02/17/80/205021780.db2.gz RVPKUVHEYKQTIU-UHFFFAOYSA-N 1 0 397.563 4.410 40 0 GIABRO Fc1ccccc1C[N@H+](CCCn1ccnc1)Cc1cccn1-c1cccnc1 ZINC000043277842 205083889 /nfs/dbraw/zinc/08/38/89/205083889.db2.gz JDZOUYFFRXQCOZ-UHFFFAOYSA-N 1 0 389.478 4.300 40 0 GIABRO CC(C)Oc1cccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000044882601 205087806 /nfs/dbraw/zinc/08/78/06/205087806.db2.gz KDCAHZJQWDARMP-FQEVSTJZSA-N 1 0 384.495 4.141 40 0 GIABRO COc1ccc(OC[C@H](C)NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000044908702 205089345 /nfs/dbraw/zinc/08/93/45/205089345.db2.gz DPSOOWZBGSFJTH-IBGZPJMESA-N 1 0 396.531 4.269 40 0 GIABRO CC1CC[NH+](Cc2ccc(C(=O)NCCCN3CCc4ccccc43)cc2)CC1 ZINC000044907337 205089609 /nfs/dbraw/zinc/08/96/09/205089609.db2.gz GBPHWUVKNGIDSB-UHFFFAOYSA-N 1 0 391.559 4.101 40 0 GIABRO CCOC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)c1C ZINC000044911661 205091534 /nfs/dbraw/zinc/09/15/34/205091534.db2.gz DOVUUBRCNQXQEE-UHFFFAOYSA-N 1 0 394.515 4.331 40 0 GIABRO CCOc1cccc(CNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000044919789 205091764 /nfs/dbraw/zinc/09/17/64/205091764.db2.gz ZSIOVULWDZLUCX-UHFFFAOYSA-N 1 0 386.923 4.267 40 0 GIABRO CCOC(=O)C1CC[NH+]([C@@H](c2c(C)[nH]c3ccccc32)c2ccncc2)CC1 ZINC000054218307 205139092 /nfs/dbraw/zinc/13/90/92/205139092.db2.gz OLJQTDMEIJYSTB-JOCHJYFZSA-N 1 0 377.488 4.236 40 0 GIABRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2Br)C1 ZINC000089212682 205186376 /nfs/dbraw/zinc/18/63/76/205186376.db2.gz GFWQQYWGRLOOQZ-AWEZNQCLSA-N 1 0 383.330 4.186 40 0 GIABRO O=C(NCCOc1cccc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000065992157 205239508 /nfs/dbraw/zinc/23/95/08/205239508.db2.gz ZOCCWGPNBZEWEE-UHFFFAOYSA-N 1 0 388.511 4.247 40 0 GIABRO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)n1 ZINC000072345897 205329249 /nfs/dbraw/zinc/32/92/49/205329249.db2.gz MUUINTFRLSSLBQ-KRWDZBQOSA-N 1 0 380.442 4.384 40 0 GIABRO Cn1cc(C[NH+]2CCC(c3cccc(Cc4ccc(Cl)cc4)n3)CC2)cn1 ZINC000072349988 205330117 /nfs/dbraw/zinc/33/01/17/205330117.db2.gz GURHZKWCUTZFHX-UHFFFAOYSA-N 1 0 380.923 4.439 40 0 GIABRO C[NH+]1CCC(C(=O)N2CCC[C@@H](c3cccc(-c4cccc(Cl)c4)n3)C2)CC1 ZINC000072350387 205330547 /nfs/dbraw/zinc/33/05/47/205330547.db2.gz UVAKMNSLYPTSHK-LJQANCHMSA-N 1 0 397.950 4.450 40 0 GIABRO CCn1ccnc1C[N@@H+]1CCC[C@H](c2cccc(-c3cccc(OC)c3)n2)C1 ZINC000072350279 205331311 /nfs/dbraw/zinc/33/13/11/205331311.db2.gz KYIAYFCABUXDPE-IBGZPJMESA-N 1 0 376.504 4.353 40 0 GIABRO CC(=O)N1CCC([N@@H+]2CCC[C@H](c3cccc(-c4ccccc4F)n3)C2)CC1 ZINC000072350187 205331442 /nfs/dbraw/zinc/33/14/42/205331442.db2.gz VBMRWCHMLRFRCO-SFHVURJKSA-N 1 0 381.495 4.078 40 0 GIABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3cc(C(=O)Nc4ccccc4)on3)C2)c1 ZINC000072352769 205331625 /nfs/dbraw/zinc/33/16/25/205331625.db2.gz BCVGBYLMBUQLPS-GOSISDBHSA-N 1 0 391.471 4.315 40 0 GIABRO CNC(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](Cc2cccc(OC)c2)C1 ZINC000072352499 205331801 /nfs/dbraw/zinc/33/18/01/205331801.db2.gz QVFOQOSPRUFGPY-INIZCTEOSA-N 1 0 380.513 4.259 40 0 GIABRO CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+](C2CCCCC2)C1 ZINC000072395923 205342973 /nfs/dbraw/zinc/34/29/73/205342973.db2.gz MBTJIJWPYXJPOI-XMMPIXPASA-N 1 0 395.547 4.435 40 0 GIABRO COc1ccc2c(c1)c([C@@H]1C[N@H+](Cc3sccc3C)C[C@H]1N(C)C)cn2C ZINC000072395538 205344381 /nfs/dbraw/zinc/34/43/81/205344381.db2.gz JROBCGKGOPGUMV-PZJWPPBQSA-N 1 0 383.561 4.086 40 0 GIABRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 ZINC000072398572 205344506 /nfs/dbraw/zinc/34/45/06/205344506.db2.gz XGORMNGAWILSHX-KNQAVFIVSA-N 1 0 395.547 4.206 40 0 GIABRO C[C@H](C[N@@H+]1CCC[C@H]([C@H](NC(=O)C2CC2)c2ccccn2)C1)c1ccccc1 ZINC000072398557 205344555 /nfs/dbraw/zinc/34/45/55/205344555.db2.gz BIKSJRSBRCTGDK-JZWVFAODSA-N 1 0 377.532 4.165 40 0 GIABRO CN(CCCNC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000219965437 205967668 /nfs/dbraw/zinc/96/76/68/205967668.db2.gz MIDPTKQNXJBMAZ-UHFFFAOYSA-N 1 0 379.548 4.319 40 0 GIABRO CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000223624770 206002336 /nfs/dbraw/zinc/00/23/36/206002336.db2.gz MIFSREUHAPFKMP-JTHBVZDNSA-N 1 0 386.580 4.494 40 0 GIABRO CC[C@H](Oc1ccccc1Cl)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224624110 206025822 /nfs/dbraw/zinc/02/58/22/206025822.db2.gz VMDUHJKJYVYXEY-FQEVSTJZSA-N 1 0 386.923 4.410 40 0 GIABRO Cc1cccc(O[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1C ZINC000224682312 206026459 /nfs/dbraw/zinc/02/64/59/206026459.db2.gz CZNHUGKYDWLNDX-FQEVSTJZSA-N 1 0 380.532 4.373 40 0 GIABRO O=C(COc1cccc2c1CCCC2)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224850887 206029438 /nfs/dbraw/zinc/02/94/38/206029438.db2.gz XZQUSGAHAJOHNP-UHFFFAOYSA-N 1 0 392.543 4.247 40 0 GIABRO COc1ccccc1[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000224901517 206031289 /nfs/dbraw/zinc/03/12/89/206031289.db2.gz BWKKLAYKTFBJSC-FUHWJXTLSA-N 1 0 386.923 4.438 40 0 GIABRO CCO[C@]1(C(=O)Nc2ccc(OCCC[NH+]3CCCC3)cc2)CCC[C@H](C)C1 ZINC000225715885 206069086 /nfs/dbraw/zinc/06/90/86/206069086.db2.gz HHVKBPWPJPNAFZ-WMZHIEFXSA-N 1 0 388.552 4.475 40 0 GIABRO CCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCCC3)cc2)CCC(C)CC1 ZINC000225720574 206069803 /nfs/dbraw/zinc/06/98/03/206069803.db2.gz JVTSMVOSHCXRPO-UHFFFAOYSA-N 1 0 388.552 4.475 40 0 GIABRO C[C@H]1CCC[N@H+](CCCNC(=S)Nc2ccc(OC3CCCC3)cc2)C1 ZINC000225737702 206070206 /nfs/dbraw/zinc/07/02/06/206070206.db2.gz BHWPNGNSPBUVIR-KRWDZBQOSA-N 1 0 375.582 4.416 40 0 GIABRO CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000225734332 206070975 /nfs/dbraw/zinc/07/09/75/206070975.db2.gz QXLYTQIIYLAZIN-QFIPXVFZSA-N 1 0 376.541 4.331 40 0 GIABRO CCO[C@@](C)(C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000225724268 206071121 /nfs/dbraw/zinc/07/11/21/206071121.db2.gz LGMVHJPGLDJGPJ-FDDCHVKYSA-N 1 0 388.552 4.474 40 0 GIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cc(C(=O)OC)ccc1Cl ZINC000225582663 206058302 /nfs/dbraw/zinc/05/83/02/206058302.db2.gz LGLUZFHKWPENAG-HNNXBMFYSA-N 1 0 397.972 4.068 40 0 GIABRO C[C@H]1C[C@H](C)C[NH+](CCOc2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)C1 ZINC000225590107 206058314 /nfs/dbraw/zinc/05/83/14/206058314.db2.gz WFCQXAGVPCWBLJ-STQMWFEESA-N 1 0 393.742 4.352 40 0 GIABRO CCCO[C@](C)(C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1)C1CC1 ZINC000225672666 206066436 /nfs/dbraw/zinc/06/64/36/206066436.db2.gz PNTZSPCSOVYPLJ-QHCPKHFHSA-N 1 0 388.552 4.475 40 0 GIABRO C[NH+]1CCC(Oc2ccc(NC(=O)COc3ccc4c(c3)CCCC4)cc2)CC1 ZINC000225755831 206072790 /nfs/dbraw/zinc/07/27/90/206072790.db2.gz UREXPVQGTCMOHC-UHFFFAOYSA-N 1 0 394.515 4.056 40 0 GIABRO C[NH+](C)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cn1 ZINC000225932292 206086242 /nfs/dbraw/zinc/08/62/42/206086242.db2.gz ZZZKTLZRJHFYBZ-UHFFFAOYSA-N 1 0 387.911 4.126 40 0 GIABRO CN1C(=O)CCCC[C@]12C[N@H+](CCOc1ccc(F)cc1)C[C@H]2c1ccccc1 ZINC000257218470 206161087 /nfs/dbraw/zinc/16/10/87/206161087.db2.gz DDGJCPALOUEDRW-LADGPHEKSA-N 1 0 396.506 4.075 40 0 GIABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc(-c3ccccc3Cl)no1)C2 ZINC000257278240 206171506 /nfs/dbraw/zinc/17/15/06/206171506.db2.gz OBKRLFIFNUUPTF-KZCJGOGDSA-N 1 0 385.895 4.082 40 0 GIABRO COc1cc(C)ccc1C[NH+]1CCC(c2cncc(Nc3ccccn3)n2)CC1 ZINC000257288763 206173137 /nfs/dbraw/zinc/17/31/37/206173137.db2.gz PVNKFAZVOCSGGY-UHFFFAOYSA-N 1 0 389.503 4.312 40 0 GIABRO COc1cc(C)ccc1C[N@@H+]1CCC[C@@H](c2cccc(Nc3cnccn3)n2)C1 ZINC000257287745 206173401 /nfs/dbraw/zinc/17/34/01/206173401.db2.gz PRIBYCZFXXYION-GOSISDBHSA-N 1 0 389.503 4.312 40 0 GIABRO Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCN(C(=O)c3ccccn3)C2)[nH+]1 ZINC000257301162 206174757 /nfs/dbraw/zinc/17/47/57/206174757.db2.gz RXFVITPOGCNDLF-MRXNPFEDSA-N 1 0 376.435 4.297 40 0 GIABRO O=C(C[NH+]1CCCCC1)N1CCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257227453 206163150 /nfs/dbraw/zinc/16/31/50/206163150.db2.gz FPJOXTFKGUPAQZ-LJQANCHMSA-N 1 0 387.911 4.068 40 0 GIABRO Cc1noc(C)c1-c1cc(C[C@@H]2CC[N@H+](Cc3ccc4ccccc4n3)C2)ncn1 ZINC000257242490 206163904 /nfs/dbraw/zinc/16/39/04/206163904.db2.gz ICTNMLBAVFNKJU-SFHVURJKSA-N 1 0 399.498 4.361 40 0 GIABRO CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)NC3(C)CCC3)[NH2+][C@H]2c2cccc(F)c2)n1 ZINC000257238605 206165067 /nfs/dbraw/zinc/16/50/67/206165067.db2.gz HLUHITXSMZTSBF-HOJAQTOUSA-N 1 0 398.526 4.023 40 0 GIABRO O=C(C[NH+]1CCCCC1)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257246931 206166632 /nfs/dbraw/zinc/16/66/32/206166632.db2.gz IWPSZCNZGCLXPU-LJQANCHMSA-N 1 0 387.911 4.068 40 0 GIABRO Cc1ccsc1C[N@@H+]1C[C@H]2[C@H](C1)N(Cc1ccc(F)cc1)C(=O)c1cccn12 ZINC000306138538 206204954 /nfs/dbraw/zinc/20/49/54/206204954.db2.gz SAEPEBHZLZEPOC-PMACEKPBSA-N 1 0 395.503 4.079 40 0 GIABRO Clc1cccc(C[N@@H+]2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)c1 ZINC000306142594 206207126 /nfs/dbraw/zinc/20/71/26/206207126.db2.gz XDYYVBTUOUQFNF-GOSISDBHSA-N 1 0 395.938 4.363 40 0 GIABRO c1csc(C[N@@H+]2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306124102 206196392 /nfs/dbraw/zinc/19/63/92/206196392.db2.gz BGDWHBPUAREEIB-SFHVURJKSA-N 1 0 375.501 4.232 40 0 GIABRO c1csc(-c2ccc3nc([C@H]4CCC[N@@H+](Cc5cccnc5)C4)nn3c2)c1 ZINC000306131356 206201514 /nfs/dbraw/zinc/20/15/14/206201514.db2.gz KCIMYUMNILFKAU-SFHVURJKSA-N 1 0 375.501 4.232 40 0 GIABRO Cc1cc2nc(C3CC[NH+](Cc4ccccc4C(F)(F)F)CC3)cc(N)n2n1 ZINC000012121505 221154023 /nfs/dbraw/zinc/15/40/23/221154023.db2.gz JXKJSXFEPRCOLS-UHFFFAOYSA-N 1 0 389.425 4.018 40 0 GIABRO O=C(c1ccc(Br)cc1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000408606496 534692263 /nfs/dbraw/zinc/69/22/63/534692263.db2.gz IDVYAFIRTKSLLG-UHFFFAOYSA-N 1 0 399.332 4.112 40 0 GIABRO C[NH+]1CCN(c2ccc(NC(=O)CCc3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000111895218 536422317 /nfs/dbraw/zinc/42/23/17/536422317.db2.gz PXCHPIIUEGXDAZ-UHFFFAOYSA-N 1 0 379.548 4.307 40 0 GIABRO O=c1ccc(-c2cccnc2)c2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000003841908 560190269 /nfs/dbraw/zinc/19/02/69/560190269.db2.gz LLMVFXHUTKEGJW-FXAWDEMLSA-N 1 0 397.478 4.276 40 0 biogenic,in-vitro GIABRO CC[C@@H](C[NH+]1CCCCC1)n1cncc1-c1cc2c(cc1OC)OCCCO2 ZINC000019719948 570210957 /nfs/dbraw/zinc/21/09/57/570210957.db2.gz SYLXOCYDSIQSDN-KRWDZBQOSA-N 1 0 385.508 4.157 40 0 GIABRO Cc1nc([C@H]2CCCC[N@@H+]2C2CCCC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019764684 570217405 /nfs/dbraw/zinc/21/74/05/570217405.db2.gz ZSDNLFULSWTEFC-OAQYLSRUSA-N 1 0 396.510 4.324 40 0 GIABRO Cc1cnc(Nc2cc(CC3CC[NH+](Cc4cnc(C)nc4)CC3)ccn2)s1 ZINC000585263045 570230682 /nfs/dbraw/zinc/23/06/82/570230682.db2.gz XBGPRMSCOONMAC-UHFFFAOYSA-N 1 0 394.548 4.143 40 0 GIABRO Cc1cnc(Nc2cccc([C@@H]3CCC[N@@H+](Cc4cn(C)nc4C)C3)n2)s1 ZINC000585262597 570230724 /nfs/dbraw/zinc/23/07/24/570230724.db2.gz HJNFRZPKPLNCTC-MRXNPFEDSA-N 1 0 382.537 4.012 40 0 GIABRO O=C(NCc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000096625952 570231640 /nfs/dbraw/zinc/23/16/40/570231640.db2.gz FWUVEFKUDFKBJG-UHFFFAOYSA-N 1 0 394.412 4.373 40 0 GIABRO Cc1ccc(Cl)c(OC[C@]2(O)CCC[N@H+](Cc3ccc4[nH]cnc4c3)CC2)c1 ZINC000585274461 570243945 /nfs/dbraw/zinc/24/39/45/570243945.db2.gz XSXIWZHUEYAIBA-QFIPXVFZSA-N 1 0 399.922 4.321 40 0 GIABRO COc1ccc(OC[C@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000020451659 570257454 /nfs/dbraw/zinc/25/74/54/570257454.db2.gz SEGWARJBIPNQCT-MOPGFXCFSA-N 1 0 396.531 4.124 40 0 GIABRO O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000585288659 570259006 /nfs/dbraw/zinc/25/90/06/570259006.db2.gz HAVAJGJEVUCFBA-IPMKNSEASA-N 1 0 383.385 4.295 40 0 GIABRO CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000020457805 570259654 /nfs/dbraw/zinc/25/96/54/570259654.db2.gz ZJRUAQABZHUPSE-SFHVURJKSA-N 1 0 393.531 4.309 40 0 GIABRO Cc1cc2c(cccc2OC[C@H](C[NH2+]C(C)(C)C)OC(=O)c2ccccc2)[nH]1 ZINC000001542901 570264450 /nfs/dbraw/zinc/26/44/50/570264450.db2.gz UUOJIACWOAYWEZ-SFHVURJKSA-N 1 0 380.488 4.469 40 0 world GIABRO O=C(OCC[NH+]1CCCCCCCC1)C(O)(c1ccccc1)c1ccccc1 ZINC000001646403 570266761 /nfs/dbraw/zinc/26/67/61/570266761.db2.gz CLCWREDHZPFCFN-UHFFFAOYSA-N 1 0 381.516 4.122 40 0 GIABRO C[NH+]1CCN(Cc2ccc3oc(-c4ccccc4Br)nc3c2)CC1 ZINC000216827753 570303405 /nfs/dbraw/zinc/30/34/05/570303405.db2.gz RDAJGEPJTLFCCP-UHFFFAOYSA-N 1 0 386.293 4.005 40 0 GIABRO CCN(CC)CC[NH2+]Cc1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000022074946 570321395 /nfs/dbraw/zinc/32/13/95/570321395.db2.gz GCHVJDYVZJKMQM-UHFFFAOYSA-N 1 0 376.928 4.359 40 0 GIABRO C[C@@H](O)C[NH2+]CCNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000022075214 570321797 /nfs/dbraw/zinc/32/17/97/570321797.db2.gz YDMKBNRUYYUWDG-QGZVFWFLSA-N 1 0 398.934 4.132 40 0 GIABRO COc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044933133 570322405 /nfs/dbraw/zinc/32/24/05/570322405.db2.gz RHSZMCNAFRXVCS-APWZRJJASA-N 1 0 386.923 4.438 40 0 GIABRO COC(=O)c1cn(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)c2ccccc12 ZINC000222602568 570416462 /nfs/dbraw/zinc/41/64/62/570416462.db2.gz AETIXVMNXWANPA-UHFFFAOYSA-N 1 0 376.456 4.102 40 0 GIABRO Cc1c2cc(Cl)ccc2n(C)c1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000035322759 570422451 /nfs/dbraw/zinc/42/24/51/570422451.db2.gz SYVLIDBIWDBVFH-LJQANCHMSA-N 1 0 387.886 4.312 40 0 GIABRO COc1ccc(OC)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)c1 ZINC000223076357 570441582 /nfs/dbraw/zinc/44/15/82/570441582.db2.gz SIYGUEROEZVEMY-GOSISDBHSA-N 1 0 396.531 4.102 40 0 GIABRO CCOc1ccccc1CCCNC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039752561 570447255 /nfs/dbraw/zinc/44/72/55/570447255.db2.gz XSVMNCAZAGTXGF-UHFFFAOYSA-N 1 0 398.522 4.185 40 0 GIABRO CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000030943303 570501469 /nfs/dbraw/zinc/50/14/69/570501469.db2.gz WDBAPNMCEWDVTE-OAQYLSRUSA-N 1 0 394.515 4.494 40 0 GIABRO O=C(NCC[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F ZINC000031688928 570505454 /nfs/dbraw/zinc/50/54/54/570505454.db2.gz DCEKFAADWGVIHC-UHFFFAOYSA-N 1 0 398.428 4.247 40 0 GIABRO CCOC(=O)C1=C(C)Nc2[nH+]c3c(c(N)c2[C@H]1c1ccc(F)cc1)CCCC3 ZINC000035079602 570549222 /nfs/dbraw/zinc/54/92/22/570549222.db2.gz RDDFBAPIHCKOCC-SFHVURJKSA-N 1 0 381.451 4.076 40 0 GIABRO COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000225326435 570564868 /nfs/dbraw/zinc/56/48/68/570564868.db2.gz GGJOEQZCEKHFEN-QZTJIDSGSA-N 1 0 396.531 4.427 40 0 GIABRO CCCCOc1ccc(C(=O)OC[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000001819327 570587435 /nfs/dbraw/zinc/58/74/35/570587435.db2.gz NUFCKCSPRMSRNO-RTBURBONSA-N 1 0 375.509 4.295 40 0 GIABRO CC[NH+](CC)CCCN(C(=O)C1CC1)c1nc(-c2ccc(OC)cc2)cs1 ZINC000004169395 570621610 /nfs/dbraw/zinc/62/16/10/570621610.db2.gz RFOBXZZKWQVSMJ-UHFFFAOYSA-N 1 0 387.549 4.294 40 0 GIABRO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@H+](CC2CCCCC2)C1)c1ccccn1 ZINC000012365839 570646455 /nfs/dbraw/zinc/64/64/55/570646455.db2.gz HSQJPNPEKMMZCD-AZUAARDMSA-N 1 0 398.576 4.302 40 0 GIABRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2)CC1 ZINC000100809391 570711140 /nfs/dbraw/zinc/71/11/40/570711140.db2.gz FKLGTIIKOHKWRT-IYBDPMFKSA-N 1 0 383.330 4.375 40 0 GIABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000013613672 570762937 /nfs/dbraw/zinc/76/29/37/570762937.db2.gz ONCQWUVHKKALEN-OAHLLOKOSA-N 1 0 393.380 4.067 40 0 GIABRO COc1ccc2oc(C(=O)N[C@@H](c3ccccn3)[C@H]3CC[C@H](C[NH3+])CC3)cc2c1 ZINC000257216222 570888591 /nfs/dbraw/zinc/88/85/91/570888591.db2.gz CTPLEIBUVGDGCS-XCGNWRKASA-N 1 0 393.487 4.073 40 0 GIABRO CCOc1ccccc1C(=O)NC[C@H]1CC[C@H]([C@H](c2ccccn2)[NH+](C)C)CC1 ZINC000257218860 570889463 /nfs/dbraw/zinc/88/94/63/570889463.db2.gz DEPWMDAOCPZFAD-DNVFCKCGSA-N 1 0 395.547 4.319 40 0 GIABRO C[C@H](c1ccccc1)N1C[C@@]2(CC1=O)COCC[N@@H+]([C@H](C)c1ccccc1)C2 ZINC000585103579 570928957 /nfs/dbraw/zinc/92/89/57/570928957.db2.gz DMRCQCJPAVDZMB-REHUZNOOSA-N 1 0 378.516 4.060 40 0 GIABRO Cc1ccc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOCc2ccncc2)s1 ZINC000585103415 570932077 /nfs/dbraw/zinc/93/20/77/570932077.db2.gz BFWVUTTWHDNUOE-FQEVSTJZSA-N 1 0 386.561 4.430 40 0 GIABRO Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@@H+](Cc4cccc(F)c4)C[C@@H]32)o1 ZINC000585109822 570938575 /nfs/dbraw/zinc/93/85/75/570938575.db2.gz XVCFHQTZEDVCTN-QNWVGRARSA-N 1 0 390.458 4.427 40 0 GIABRO CC(=O)N1Cc2ccccc2OC2(CCC([N@H+](C)C[C@@H]3CC=CCC3)CC2)C1 ZINC000019019848 570954851 /nfs/dbraw/zinc/95/48/51/570954851.db2.gz BXODBSMOFHJNMO-CKQIISDPSA-N 1 0 382.548 4.397 40 0 GIABRO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000019081957 570956302 /nfs/dbraw/zinc/95/63/02/570956302.db2.gz JPPYRTFLYWLVLC-GHTZIAJQSA-N 1 0 383.511 4.336 40 0 GIABRO CC(C)C(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@H+](Cc3ccsc3)CC[C@H]21 ZINC000019086092 570956636 /nfs/dbraw/zinc/95/66/36/570956636.db2.gz GGMKVFNEKGSMRS-NJDAHSKKSA-N 1 0 386.536 4.360 40 0 GIABRO Cc1cc(C[C@@H]2COC[C@H]2[N@H+](Cc2ccccc2)Cc2ccc(F)cc2)on1 ZINC000019120631 570957004 /nfs/dbraw/zinc/95/70/04/570957004.db2.gz VFEVDVMMYLJFFT-NFBKMPQASA-N 1 0 380.463 4.382 40 0 GIABRO O=C(C1CC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3cccc(F)c3)CC[C@@H]21 ZINC000019293881 570973120 /nfs/dbraw/zinc/97/31/20/570973120.db2.gz SAXQNNUCRAOITC-ACRUOGEOSA-N 1 0 384.520 4.114 40 0 GIABRO FC(F)(F)c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CC[NH2+]C3)n2)cc1 ZINC000019332599 570975510 /nfs/dbraw/zinc/97/55/10/570975510.db2.gz NYBRMNAMFNUUPF-AWEZNQCLSA-N 1 0 385.393 4.378 40 0 GIABRO O=C(C1CC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3ccc(F)cc3)CC[C@@H]21 ZINC000019334341 570976121 /nfs/dbraw/zinc/97/61/21/570976121.db2.gz GKMONXHQIGUUOH-ACRUOGEOSA-N 1 0 384.520 4.114 40 0 GIABRO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](CC2CCCCC2)C1)c1ccccn1 ZINC000019400480 570982399 /nfs/dbraw/zinc/98/23/99/570982399.db2.gz RDCZZDSXLRNKBC-NFBKMPQASA-N 1 0 392.547 4.240 40 0 GIABRO CC(C)c1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCC[N@@H+]3C)[nH]n1 ZINC000019451929 570985645 /nfs/dbraw/zinc/98/56/45/570985645.db2.gz DIMXSBIBBJWXJM-BWAGFHJFSA-N 1 0 380.536 4.016 40 0 GIABRO CC1CCN(C(=O)c2cc([C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)no2)CC1 ZINC000019496750 570990078 /nfs/dbraw/zinc/99/00/78/570990078.db2.gz YUHHXZSXUGMDOU-GOSISDBHSA-N 1 0 385.483 4.065 40 0 GIABRO CCOc1ccccc1NC(=O)c1cc(C2CC[NH+](C3CCCC3)CC2)no1 ZINC000019520224 570994075 /nfs/dbraw/zinc/99/40/75/570994075.db2.gz WJOIAORIJPNVAN-UHFFFAOYSA-N 1 0 383.492 4.448 40 0 GIABRO CCc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3C3CCSCC3)cc2n1 ZINC000019522330 570995050 /nfs/dbraw/zinc/99/50/50/570995050.db2.gz CZEMGAWBWRQKSX-OAHLLOKOSA-N 1 0 384.471 4.343 40 0 GIABRO COC(=O)Cn1cc(C[NH2+]C2(c3ccc(OC)cc3)CCCC2)c2ccccc21 ZINC000019553810 571002444 /nfs/dbraw/zinc/00/24/44/571002444.db2.gz HNQSVWZQNLCZHL-UHFFFAOYSA-N 1 0 392.499 4.382 40 0 GIABRO Cc1nc(C)c(C(=O)NC2CC[NH+](CC3(c4ccccc4)CCCCC3)CC2)o1 ZINC000019559398 571004982 /nfs/dbraw/zinc/00/49/82/571004982.db2.gz NUVRCHJSIFAVAQ-UHFFFAOYSA-N 1 0 395.547 4.388 40 0 GIABRO COc1cc(C)c(C[NH+]2CCC(c3noc(-c4ccncc4)n3)CC2)cc1C ZINC000019567283 571008635 /nfs/dbraw/zinc/00/86/35/571008635.db2.gz SXUNRAHJSZQING-UHFFFAOYSA-N 1 0 378.476 4.137 40 0 GIABRO Cc1cc([C@@H](O)C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c(C)s1 ZINC000019567841 571008867 /nfs/dbraw/zinc/00/88/67/571008867.db2.gz BWPXATQUORDRHG-SFHVURJKSA-N 1 0 399.478 4.401 40 0 GIABRO COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@H+]3Cc2c(C)nn(C(C)C)c2C)cc1 ZINC000019577434 571012373 /nfs/dbraw/zinc/01/23/73/571012373.db2.gz PKPJQOKMKHPCAR-DETIRCLXSA-N 1 0 383.536 4.104 40 0 GIABRO Cc1onc(-c2ccc(Cl)cc2)c1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000019666690 571027786 /nfs/dbraw/zinc/02/77/86/571027786.db2.gz KGXZEEHQHJKYOB-UHFFFAOYSA-N 1 0 375.900 4.107 40 0 GIABRO C[C@@H](C(=O)N1CCC(c2ccc(Cc3ccccc3F)cn2)CC1)[NH+]1CCCC1 ZINC000019687351 571028676 /nfs/dbraw/zinc/02/86/76/571028676.db2.gz LOWKKUBADCNIAW-SFHVURJKSA-N 1 0 395.522 4.002 40 0 GIABRO Cc1c(C[N@@H+]2CCC[C@H]2c2cc(Cc3cccc(F)c3)cc(C)n2)cnn1C ZINC000019690886 571029065 /nfs/dbraw/zinc/02/90/65/571029065.db2.gz SNDSMDHZEQXKQZ-QHCPKHFHSA-N 1 0 378.495 4.499 40 0 GIABRO Cc1c(C[N@@H+]2CCC[C@H]2c2cc(Cc3ccc(F)cc3)cc(C)n2)cnn1C ZINC000019690888 571029170 /nfs/dbraw/zinc/02/91/70/571029170.db2.gz UHECHQCAWZMOCI-QHCPKHFHSA-N 1 0 378.495 4.499 40 0 GIABRO O=C1[C@H](C2CC[NH+](Cc3cccnc3)CC2)CCCCN1Cc1ccccc1 ZINC000019703731 571031491 /nfs/dbraw/zinc/03/14/91/571031491.db2.gz UOLNSNZEVZMPIZ-QHCPKHFHSA-N 1 0 377.532 4.123 40 0 GIABRO O=C1[C@@H](C2CC[NH+](Cc3ccccn3)CC2)CCCCN1Cc1ccccc1 ZINC000019703739 571031531 /nfs/dbraw/zinc/03/15/31/571031531.db2.gz XFEDFQIBRWPRBI-HSZRJFAPSA-N 1 0 377.532 4.123 40 0 GIABRO C[C@H](Nc1nc(C2CC[NH+](Cc3cccnc3)CC2)cc(=O)[nH]1)c1ccccc1 ZINC000019717552 571040137 /nfs/dbraw/zinc/04/01/37/571040137.db2.gz KQEAZZPGSCUFBL-KRWDZBQOSA-N 1 0 389.503 4.130 40 0 GIABRO c1ccc(Nc2ccc3nc(C4CC[NH+](CC5CCOCC5)CC4)nn3c2)cc1 ZINC000096038332 571097308 /nfs/dbraw/zinc/09/73/08/571097308.db2.gz NQLXOHJUNDFWHF-UHFFFAOYSA-N 1 0 391.519 4.079 40 0 GIABRO COc1cccc(-c2ccc3nc(C4CC[NH+](Cc5ccccn5)CC4)nn3c2)c1 ZINC000096038227 571097335 /nfs/dbraw/zinc/09/73/35/571097335.db2.gz WFOXLEBFKYZBBX-UHFFFAOYSA-N 1 0 399.498 4.180 40 0 GIABRO O=C(Nc1ccccc1)N1CCC2(C[NH+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000096070785 571098416 /nfs/dbraw/zinc/09/84/16/571098416.db2.gz JJZBUANDFHMIAJ-UHFFFAOYSA-N 1 0 389.421 4.445 40 0 GIABRO Cc1cccc(NC(=O)c2ccc3ccc(N4CC[NH+](CC5CC5)CC4)n3c2)c1 ZINC000096062768 571098587 /nfs/dbraw/zinc/09/85/87/571098587.db2.gz JJXCTNFKZDSHCE-UHFFFAOYSA-N 1 0 388.515 4.032 40 0 GIABRO CC[NH+](CC)[C@@H]1C[C@H](C(C)C)O[C@H](c2ccc(NC(=O)c3cnn(C)c3)cc2)C1 ZINC000019711857 818601750 /nfs/dbraw/zinc/60/17/50/818601750.db2.gz HGFBGCQAKMWHPX-VSKRKVRLSA-N 1 0 398.551 4.259 40 0 GIABRO C[N@@H+]1CCCCC[C@@H]2[C@@H]1C[C@@H](Cc1ccccc1)N2C(=O)c1cc(C2CC2)on1 ZINC000019712900 818602593 /nfs/dbraw/zinc/60/25/93/818602593.db2.gz VTERFCFJRMTBPY-FCEUIQTBSA-N 1 0 393.531 4.252 40 0 GIABRO COc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCCCN3C(C)=O)cc1 ZINC000019712467 818602607 /nfs/dbraw/zinc/60/26/07/818602607.db2.gz JHQQEFDENMYTMC-DHIUTWEWSA-N 1 0 378.516 4.338 40 0 GIABRO Cc1nc([C@H]2CCC[N@H+](Cc3ccccc3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019765269 818605005 /nfs/dbraw/zinc/60/50/05/818605005.db2.gz XEEBKBHXGKRTBX-FQEVSTJZSA-N 1 0 386.499 4.417 40 0 GIABRO Cc1ccc(OC[C@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000044852975 821672909 /nfs/dbraw/zinc/67/29/09/821672909.db2.gz IVVRGOLSTRSIOL-PMACEKPBSA-N 1 0 380.532 4.424 40 0 GIABRO Cc1cc(F)ccc1Nc1cc(-c2ccccc2)nc(NCCC[NH+](C)C)n1 ZINC000329035826 203770095 /nfs/dbraw/zinc/77/00/95/203770095.db2.gz RFRUYBIIZCVKRG-UHFFFAOYSA-N 1 0 379.483 4.120 40 0 GIABRO CC[NH+](CC)CC(=O)N(CC(=O)Nc1c(C)cc(C)cc1C)C1CCCCC1 ZINC000004388572 204043925 /nfs/dbraw/zinc/04/39/25/204043925.db2.gz OIMUNNPRBQPQIS-UHFFFAOYSA-N 1 0 387.568 4.053 40 0 GIABRO [NH3+][C@@H](CCCC[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000005080810 204109756 /nfs/dbraw/zinc/10/97/56/204109756.db2.gz FBRZWQGBQSPUMV-QHCPKHFHSA-N 1 0 388.511 4.150 40 0 GIABRO Clc1ccc2[nH]c(C3CC[NH+](C[C@H]4COc5ccccc5O4)CC3)nc2c1 ZINC000035315403 204168314 /nfs/dbraw/zinc/16/83/14/204168314.db2.gz OXKSJVGFWJXBIK-INIZCTEOSA-N 1 0 383.879 4.236 40 0 GIABRO CC1(C)C[C@H](NC(=O)C[NH+]2CCC(c3ccccc3)CC2)c2ccccc2O1 ZINC000035316873 204168333 /nfs/dbraw/zinc/16/83/33/204168333.db2.gz HAANKIUDSCFIPL-NRFANRHFSA-N 1 0 378.516 4.285 40 0 GIABRO COc1cccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(F)cc2)c1 ZINC000035288582 204145918 /nfs/dbraw/zinc/14/59/18/204145918.db2.gz OYNIKFUSOVXHLH-IHWFROFDSA-N 1 0 383.467 4.151 40 0 GIABRO Cc1ccsc1C[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C[C@H](C)O ZINC000012116724 204372204 /nfs/dbraw/zinc/37/22/04/204372204.db2.gz XTJCWRKROHBKBG-AWEZNQCLSA-N 1 0 375.925 4.483 40 0 GIABRO C[C@H](Cc1ccccn1)[N@H+](C)Cc1ccc(OCc2ccc3c(c2)OCO3)cc1 ZINC000012148185 204377265 /nfs/dbraw/zinc/37/72/65/204377265.db2.gz QAISLXCSVOWGAI-GOSISDBHSA-N 1 0 390.483 4.452 40 0 GIABRO Cc1c(C[NH+]2CCC(O)(c3ccccc3C)CC2)cnn1Cc1ccccc1 ZINC000012188739 204379294 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GIABRO Fc1ccccc1C[N@H+](CCCn1ccnc1)Cc1ccc(-n2cccn2)cc1 ZINC000043277862 205083322 /nfs/dbraw/zinc/08/33/22/205083322.db2.gz SKINTYQHIPRNHZ-UHFFFAOYSA-N 1 0 389.478 4.300 40 0 GIABRO CC(C)Oc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044932203 205091701 /nfs/dbraw/zinc/09/17/01/205091701.db2.gz MUZWYZKSDJSWSA-FQEVSTJZSA-N 1 0 384.495 4.141 40 0 GIABRO CC(C)(C)OC(=O)N1CCC(C[NH2+]Cc2ccc(Br)cc2)CC1 ZINC000089212586 205185811 /nfs/dbraw/zinc/18/58/11/205185811.db2.gz XDSQZLPJMGQUOL-UHFFFAOYSA-N 1 0 383.330 4.186 40 0 GIABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)C1CCC1 ZINC000072330562 205326865 /nfs/dbraw/zinc/32/68/65/205326865.db2.gz IXYRYDKJMXXDGB-GCJKJVERSA-N 1 0 399.485 4.229 40 0 GIABRO O=C(C[N@H+]1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1)N1CCCCC1 ZINC000072348708 205330212 /nfs/dbraw/zinc/33/02/12/205330212.db2.gz XGBXNPHAZUPCGS-HXUWFJFHSA-N 1 0 395.522 4.003 40 0 GIABRO O=C(C[N@H+]1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1)N1CCCC1 ZINC000072348788 205330244 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396.441 4.220 40 0 GIABRO CCc1nccn1-c1nccnc1[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072350652 205332788 /nfs/dbraw/zinc/33/27/88/205332788.db2.gz ZXIMSDYLJZQBKC-FQEVSTJZSA-N 1 0 375.520 4.037 40 0 GIABRO CC(C)C[N@@H+]1CCCCC[C@H]1Cc1c2ccccc2sc1C(=O)NCCO ZINC000072370628 205335803 /nfs/dbraw/zinc/33/58/03/205335803.db2.gz MXYCVQJJKIINEH-KRWDZBQOSA-N 1 0 388.577 4.067 40 0 GIABRO FC(F)(F)c1ccccc1OCCc1cc([C@H]2CC[N@H+](CC3CC3)C2)[nH]n1 ZINC000072371300 205336076 /nfs/dbraw/zinc/33/60/76/205336076.db2.gz MHSXHWOVWKFKBX-HNNXBMFYSA-N 1 0 379.426 4.249 40 0 GIABRO CC(C)[N@@H+]1CCC[C@@H](c2cccc(CC3(C(=O)N4CCCC4)CCOCC3)c2)C1 ZINC000072372256 205337072 /nfs/dbraw/zinc/33/70/72/205337072.db2.gz NOUITCUFNJCFLC-HSZRJFAPSA-N 1 0 398.591 4.236 40 0 GIABRO COc1ccc([C@@H](CNc2cc(-c3cc(C(C)C)[nH]n3)nc(C)n2)[NH+](C)C)cc1 ZINC000072373217 205338535 /nfs/dbraw/zinc/33/85/35/205338535.db2.gz KAPGOMJPQIOIIE-OAQYLSRUSA-N 1 0 394.523 4.022 40 0 GIABRO CCc1nccn1-c1cccc([C@H]2CCC[N@H+](CCOc3ccc(F)cc3)C2)n1 ZINC000072379228 205340551 /nfs/dbraw/zinc/34/05/51/205340551.db2.gz SWWYWEPPNYBDDV-SFHVURJKSA-N 1 0 394.494 4.227 40 0 GIABRO Cc1ccc([C@]2(O)CC[C@H]3C[N@H+](Cc4ccc(Cl)c(Cl)c4)C[C@H]32)nc1 ZINC000072392558 205342198 /nfs/dbraw/zinc/34/21/98/205342198.db2.gz HKVKKSHUIWVCMT-YRNRMSPPSA-N 1 0 377.315 4.426 40 0 GIABRO COc1ccc(C(C)(C)C)cc1C[N@H+]1C[C@H]2[C@H](CC[C@]2(O)c2ncccc2C)C1 ZINC000072395306 205342799 /nfs/dbraw/zinc/34/27/99/205342799.db2.gz LPCSOXLAHLLKQS-DHTSOJEISA-N 1 0 394.559 4.426 40 0 GIABRO Cc1cc(C[C@@H]2COC[C@H]2[N@H+](Cc2ccncc2)Cc2cccc(Cl)c2)on1 ZINC000072395073 205344141 /nfs/dbraw/zinc/34/41/41/205344141.db2.gz NZYIJYMUJBQWOE-DENIHFKCSA-N 1 0 397.906 4.291 40 0 GIABRO CC(C)CNC(=O)C[C@H]1CC2(CC[NH+](Cc3ccoc3)CC2)Oc2ccccc21 ZINC000096053509 205519704 /nfs/dbraw/zinc/51/97/04/205519704.db2.gz BWQWQXAKRRQUFV-FQEVSTJZSA-N 1 0 396.531 4.343 40 0 GIABRO CC(C)c1ccccc1OCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000223793039 206006181 /nfs/dbraw/zinc/00/61/81/206006181.db2.gz WKOJCKBVJPXXGF-UHFFFAOYSA-N 1 0 380.532 4.217 40 0 GIABRO COc1ccc(OC)c([C@H](C)NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000223759255 206006243 /nfs/dbraw/zinc/00/62/43/206006243.db2.gz BYFNTKTYHLYLDS-SFHVURJKSA-N 1 0 396.531 4.102 40 0 GIABRO CCc1ccc(OCCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000224331882 206020081 /nfs/dbraw/zinc/02/00/81/206020081.db2.gz NCCLIGQSJSUWDF-UHFFFAOYSA-N 1 0 380.532 4.290 40 0 GIABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCOc3ccc(C)cc3C)CC2)cc1 ZINC000224531484 206022742 /nfs/dbraw/zinc/02/27/42/206022742.db2.gz XHDYKFJVSVZARG-UHFFFAOYSA-N 1 0 380.532 4.019 40 0 GIABRO CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224791660 206027661 /nfs/dbraw/zinc/02/76/61/206027661.db2.gz QURBZVSACQHSPW-NRFANRHFSA-N 1 0 386.923 4.410 40 0 GIABRO Cc1cc(O[C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)ccc1Cl ZINC000224800333 206027830 /nfs/dbraw/zinc/02/78/30/206027830.db2.gz HPZNSBCQJKMPHD-KRWDZBQOSA-N 1 0 386.923 4.328 40 0 GIABRO CC[C@@H](Oc1ccccc1F)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224840717 206028604 /nfs/dbraw/zinc/02/86/04/206028604.db2.gz FTZBNSCPXSFGRJ-OAQYLSRUSA-N 1 0 384.495 4.285 40 0 GIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc4c(c3)sc(=O)n4C)cc2)C1 ZINC000225050411 206034099 /nfs/dbraw/zinc/03/40/99/206034099.db2.gz OQJZRGGPFNLVOM-HNNXBMFYSA-N 1 0 395.528 4.084 40 0 GIABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cc(Br)ccc2Cl)C1 ZINC000225072969 206035163 /nfs/dbraw/zinc/03/51/63/206035163.db2.gz PCJNNYMEFZMSAV-STQMWFEESA-N 1 0 387.749 4.200 40 0 GIABRO CCCOC(C)(C)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225727624 206070327 /nfs/dbraw/zinc/07/03/27/206070327.db2.gz NRFFGURMNBAPNY-SFHVURJKSA-N 1 0 376.541 4.474 40 0 GIABRO CC1CC[NH+](CCOc2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)CC1 ZINC000225589873 206059193 /nfs/dbraw/zinc/05/91/93/206059193.db2.gz ANTGCBKRFLYFCQ-UHFFFAOYSA-N 1 0 379.715 4.106 40 0 GIABRO C[C@@H]1CCCC[N@@H+]1CCCOc1ccc(NC(=O)C(C)(C)Br)cc1 ZINC000225595098 206059995 /nfs/dbraw/zinc/05/99/95/206059995.db2.gz VACHYZMLNOOPCQ-OAHLLOKOSA-N 1 0 397.357 4.442 40 0 GIABRO COC1(C(=O)Nc2ccc(OCC[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)CCCCC1 ZINC000225628547 206061995 /nfs/dbraw/zinc/06/19/95/206061995.db2.gz QAQKEYIQBOVOMN-OALUTQOASA-N 1 0 388.552 4.331 40 0 GIABRO CO[C@@]1(C(=O)Nc2ccc(OCC[NH+]3CCC(C)CC3)cc2)CCC[C@H](C)C1 ZINC000225635407 206062348 /nfs/dbraw/zinc/06/23/48/206062348.db2.gz CBQJPURPEFSDTG-CVDCTZTESA-N 1 0 388.552 4.331 40 0 GIABRO CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225689189 206066972 /nfs/dbraw/zinc/06/69/72/206066972.db2.gz SUQSCGUCERRKCB-QFIPXVFZSA-N 1 0 376.541 4.331 40 0 GIABRO CC(C)Oc1cccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000225743902 206072962 /nfs/dbraw/zinc/07/29/62/206072962.db2.gz AXTUXACIFLGUSE-UHFFFAOYSA-N 1 0 383.561 4.209 40 0 GIABRO Cc1ccc(C)c(NC(=S)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000225771859 206073797 /nfs/dbraw/zinc/07/37/97/206073797.db2.gz FNNXILZUMLDHKE-UHFFFAOYSA-N 1 0 383.561 4.263 40 0 GIABRO CCOc1ccccc1NC(=S)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000225772157 206074445 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206207423 /nfs/dbraw/zinc/20/74/23/206207423.db2.gz YYULCQLXAPOMMB-HXUWFJFHSA-N 1 0 387.462 4.310 40 0 GIABRO O=C1N(CC2CCC2)CC[C@]12C[N@H+](CC1CCCCC1)C[C@@H]2c1nccs1 ZINC000306126721 206196427 /nfs/dbraw/zinc/19/64/27/206196427.db2.gz FDGVIMMZGCUODC-DENIHFKCSA-N 1 0 387.593 4.141 40 0 GIABRO COc1cccc(-c2ccc3nc([C@H]4CCC[N@H+](Cc5ccco5)C4)nn3c2)c1 ZINC000306126696 206196788 /nfs/dbraw/zinc/19/67/88/206196788.db2.gz FCLXPJWTBGDZTN-IBGZPJMESA-N 1 0 388.471 4.378 40 0 GIABRO CC(C)CN1c2ccccc2C2(CC[NH+](Cc3cccs3)CC2)S1(=O)=O ZINC000306126486 206197620 /nfs/dbraw/zinc/19/76/20/206197620.db2.gz DXKJQAWDCKQNAX-UHFFFAOYSA-N 1 0 390.574 4.045 40 0 GIABRO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@H+](CC5CC5)C4)nn3c2)c1OC ZINC000306129411 206199342 /nfs/dbraw/zinc/19/93/42/206199342.db2.gz ICFBBGXGEFOIKR-GOSISDBHSA-N 1 0 392.503 4.003 40 0 GIABRO Clc1ccccc1C[N@@H+]1CCC[C@@H](c2nc3ccc(N4CCCC4)cn3n2)C1 ZINC000306129530 206199422 /nfs/dbraw/zinc/19/94/22/206199422.db2.gz IGDOXSAZJOKTPI-GOSISDBHSA-N 1 0 395.938 4.363 40 0 GIABRO Cc1cccc(C[N@@H+]2CC[C@]3(C2)Cn2c(-c4ccc(F)cc4)cnc2CO3)c1 ZINC000306128178 206199564 /nfs/dbraw/zinc/19/95/64/206199564.db2.gz GTHFBAYOYFTYEF-QHCPKHFHSA-N 1 0 377.463 4.173 40 0 GIABRO O=C1CC[C@@]2(c3ccccc3)CC[N@H+](CCc3ccccc3)[C@@H]2CN1CC1CC1 ZINC000306133355 206201138 /nfs/dbraw/zinc/20/11/38/206201138.db2.gz MJGVWLOSQSUSOC-RSXGOPAZSA-N 1 0 388.555 4.274 40 0 GIABRO COc1cccc(-c2ccc3nc([C@H]4CCC[N@H+](Cc5ccccn5)C4)nn3c2)c1 ZINC000306135612 206202656 /nfs/dbraw/zinc/20/26/56/206202656.db2.gz OVYAOUSKNKUVGZ-FQEVSTJZSA-N 1 0 399.498 4.180 40 0 GIABRO CCCCCCOc1ccc(N2C(=O)C[C@H]([N@H+]3C[C@@H]4CC=CC[C@@H]4C3)C2=O)cc1 ZINC000015080394 221332791 /nfs/dbraw/zinc/33/27/91/221332791.db2.gz QPMCHOOYPAUDMX-JQVVWYNYSA-N 1 0 396.531 4.176 40 0 GIABRO COc1cc2c(cc1OC)CN(c1cc(NC3CCCCC3)[nH+]c(C)n1)CC2 ZINC000244530600 136192561 /nfs/dbraw/zinc/19/25/61/136192561.db2.gz ZSVIMMXJAAFVLC-UHFFFAOYSA-N 1 0 382.508 4.110 40 0 GIABRO COC(=O)c1cn(C(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c2ccccc12 ZINC000222629294 534301346 /nfs/dbraw/zinc/30/13/46/534301346.db2.gz YLPWCKHXCUIKPH-UHFFFAOYSA-N 1 0 390.483 4.492 40 0 GIABRO CC(C)(C)CC[N@@H+]1CC[C@@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1ccccc1 ZINC000514289942 560030975 /nfs/dbraw/zinc/03/09/75/560030975.db2.gz PDLXMQKBCOTEFF-AWRGLXIESA-N 1 0 386.580 4.296 40 0 biogenic,in-vitro GIABRO CC(C)C[NH+](CC(C)C)C[C@H]1O[C@H](Cc2cc(C(C)(C)C)on2)CC[C@@H]1O ZINC000077262330 560046741 /nfs/dbraw/zinc/04/67/41/560046741.db2.gz LAZQXZQKBXMERN-SLFFLAALSA-N 1 0 380.573 4.037 40 0 biogenic,in-vitro GIABRO Cc1nc(N2CCc3cc(Br)ccc3C2)cc(NC2CCCC2)[nH+]1 ZINC000328973158 570210170 /nfs/dbraw/zinc/21/01/70/570210170.db2.gz DZNRZAWZRJXXMY-UHFFFAOYSA-N 1 0 387.325 4.465 40 0 GIABRO CC[C@H](C[NH+]1CCCCC1)n1cncc1-c1cc2c(cc1OC)OCCCO2 ZINC000019719949 570210878 /nfs/dbraw/zinc/21/08/78/570210878.db2.gz SYLXOCYDSIQSDN-QGZVFWFLSA-N 1 0 385.508 4.157 40 0 GIABRO O=C(CC1CC[NH+](Cc2ccccn2)CC1)NCC1(c2ccccc2)CCCC1 ZINC000019748235 570214215 /nfs/dbraw/zinc/21/42/15/570214215.db2.gz RKNWJOQINYKLKA-UHFFFAOYSA-N 1 0 391.559 4.312 40 0 GIABRO Cc1cc(Nc2cc(-c3ccccc3)nc(NCC[NH+](C)C)n2)ccc1Cl ZINC000329044787 570214919 /nfs/dbraw/zinc/21/49/19/570214919.db2.gz SXXAARPKWHYSSP-UHFFFAOYSA-N 1 0 381.911 4.244 40 0 GIABRO O=C(CCc1cccnc1)N1CCC[C@]2(CCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000096214586 570219467 /nfs/dbraw/zinc/21/94/67/570219467.db2.gz IHCMLMJMMFJIGW-QHCPKHFHSA-N 1 0 397.950 4.325 40 0 GIABRO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)NC4CCCCC4)C3)C2)c1 ZINC000096215702 570219614 /nfs/dbraw/zinc/21/96/14/570219614.db2.gz PHPWCYZUMYYRTL-QHCPKHFHSA-N 1 0 385.552 4.025 40 0 GIABRO CC(C)[NH+]1CCC2(CC1)CN(C(=O)c1ccc(N(C)C)cc1)Cc1ccccc12 ZINC000096242413 570222875 /nfs/dbraw/zinc/22/28/75/570222875.db2.gz YTEMUNKFHIJYRL-UHFFFAOYSA-N 1 0 391.559 4.151 40 0 GIABRO Cc1sc2ccccc2c1C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000096305883 570228571 /nfs/dbraw/zinc/22/85/71/570228571.db2.gz XUHMPOPBJRYMJR-UHFFFAOYSA-N 1 0 380.513 4.256 40 0 GIABRO CC(C)(C)[C@H]1CC[C@H]([N@@H+]2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)CC1 ZINC000585288240 570258978 /nfs/dbraw/zinc/25/89/78/570258978.db2.gz ZBAPCSCHHPKZJX-SFGWALBWSA-N 1 0 395.971 4.387 40 0 GIABRO CCOC(=O)c1cccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000020484386 570262170 /nfs/dbraw/zinc/26/21/70/570262170.db2.gz APWHMPVXVCKXSC-KRWDZBQOSA-N 1 0 380.488 4.348 40 0 GIABRO CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC2(CC1)C(=O)NCN2c1ccccc1 ZINC000001664584 570266859 /nfs/dbraw/zinc/26/68/59/570266859.db2.gz SCZBGHIZLUMOQC-HXUWFJFHSA-N 1 0 383.923 4.220 40 0 GIABRO Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC(Cc4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000100238014 570270020 /nfs/dbraw/zinc/27/00/20/570270020.db2.gz SWOSSXSWZTTXNW-NRFANRHFSA-N 1 0 396.918 4.235 40 0 GIABRO CO[C@H]1CC[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCC[N@@H+]3C)CC1 ZINC000100749476 570276564 /nfs/dbraw/zinc/27/65/64/570276564.db2.gz OERNFMXZHGIVTM-BFRACDOUSA-N 1 0 384.564 4.061 40 0 GIABRO C[C@H]([NH2+]CCc1ccc(O)cc1)C(=O)c1ccc(OCc2ccccc2)cc1 ZINC000021985151 570300808 /nfs/dbraw/zinc/30/08/08/570300808.db2.gz QKVNQEPGFVLFCE-SFHVURJKSA-N 1 0 375.468 4.375 40 0 GIABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000222758955 570424493 /nfs/dbraw/zinc/42/44/93/570424493.db2.gz TUTCODGJKMWKMQ-GOSISDBHSA-N 1 0 396.597 4.060 40 0 GIABRO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000222759022 570424505 /nfs/dbraw/zinc/42/45/05/570424505.db2.gz TUTCODGJKMWKMQ-SFHVURJKSA-N 1 0 396.597 4.060 40 0 GIABRO CC(C)Oc1cccc(CNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000039772438 570446578 /nfs/dbraw/zinc/44/65/78/570446578.db2.gz OEDLVPCZAMLSSA-UHFFFAOYSA-N 1 0 384.495 4.141 40 0 GIABRO C[NH+](C)CCCNc1nc(NCc2ccc(F)cc2)cc(-c2ccccc2)n1 ZINC000243698948 570457640 /nfs/dbraw/zinc/45/76/40/570457640.db2.gz PLLSQNDMJQGDGR-UHFFFAOYSA-N 1 0 379.483 4.258 40 0 GIABRO CCn1c[n+](C[C@H](O)COc2cccc3ccccc32)c2cc(C)c(C)cc21 ZINC000000781050 570479847 /nfs/dbraw/zinc/47/98/47/570479847.db2.gz VDUWPYLJTVEQQQ-FQEVSTJZSA-N 1 0 375.492 4.159 40 0 GIABRO CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000030866283 570499890 /nfs/dbraw/zinc/49/98/90/570499890.db2.gz UIQWFEHYMMBADH-PWHSHALESA-N 1 0 382.548 4.481 40 0 GIABRO CC(=O)Nc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000030943489 570501528 /nfs/dbraw/zinc/50/15/28/570501528.db2.gz PYLHRUMKXGJDGR-KRWDZBQOSA-N 1 0 385.895 4.149 40 0 GIABRO CCOC(=O)C1=C(C)Nc2[nH+]c3c(c(N)c2[C@@H]1c1ccc(C)cc1)CCCC3 ZINC000035079607 570549043 /nfs/dbraw/zinc/54/90/43/570549043.db2.gz QTVIWMLMXFVZIY-LJQANCHMSA-N 1 0 377.488 4.246 40 0 GIABRO CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875454 570637990 /nfs/dbraw/zinc/63/79/90/570637990.db2.gz PSAFSLMBNOLTAH-QHCPKHFHSA-N 1 0 380.532 4.455 40 0 GIABRO COc1ccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000004856778 570638320 /nfs/dbraw/zinc/63/83/20/570638320.db2.gz TYPDLZQYXQLSKQ-IHWFROFDSA-N 1 0 381.545 4.177 40 0 GIABRO OC1(c2ccc(F)cc2)CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000012363613 570645999 /nfs/dbraw/zinc/64/59/99/570645999.db2.gz ORSAZAIEMJDPAB-UHFFFAOYSA-N 1 0 392.474 4.283 40 0 GIABRO CC(C)C(=O)N[C@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000012408160 570654839 /nfs/dbraw/zinc/65/48/39/570654839.db2.gz BYPZFFWTYDTPIH-WMZOPIPTSA-N 1 0 375.513 4.008 40 0 GIABRO CCSc1nnc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)s1 ZINC000260816695 570707292 /nfs/dbraw/zinc/70/72/92/570707292.db2.gz ZFXZJVASVYCHLG-ZDUSSCGKSA-N 1 0 376.551 4.134 40 0 GIABRO CCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260817050 570708536 /nfs/dbraw/zinc/70/85/36/570708536.db2.gz VPZJWYBMVHSAOQ-GCJKJVERSA-N 1 0 376.541 4.474 40 0 GIABRO CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260818168 570708753 /nfs/dbraw/zinc/70/87/53/570708753.db2.gz WLHJDKTUBYZWRR-AVRDEDQJSA-N 1 0 376.541 4.331 40 0 GIABRO C[C@@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccc2c(c1)OCCO2 ZINC000260836400 570709622 /nfs/dbraw/zinc/70/96/22/570709622.db2.gz OZVUNZKRAHOCCF-ZWKOTPCHSA-N 1 0 394.515 4.181 40 0 GIABRO CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000005944730 570736706 /nfs/dbraw/zinc/73/67/06/570736706.db2.gz YOQZHICJWOCVGR-UHFFFAOYSA-N 1 0 397.544 4.196 40 0 GIABRO COc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000009062688 570773824 /nfs/dbraw/zinc/77/38/24/570773824.db2.gz SIXHROXHGFEUCU-MRXNPFEDSA-N 1 0 386.923 4.438 40 0 GIABRO Cc1ccc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOCc2cccnc2)s1 ZINC000585104348 570929259 /nfs/dbraw/zinc/92/92/59/570929259.db2.gz HPCMLYWTKXZLSF-FQEVSTJZSA-N 1 0 386.561 4.430 40 0 GIABRO Cc1ccc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOCc2ccncc2)s1 ZINC000585103424 570932209 /nfs/dbraw/zinc/93/22/09/570932209.db2.gz BFWVUTTWHDNUOE-HXUWFJFHSA-N 1 0 386.561 4.430 40 0 GIABRO Cc1ccc(C)c(C[N@H+]2CCOC[C@@]3(CC(=O)N([C@@H](C)c4ccccc4)C3)C2)c1 ZINC000585104796 570933665 /nfs/dbraw/zinc/93/36/65/570933665.db2.gz UCTLJIUXJAMCEK-OFVILXPXSA-N 1 0 392.543 4.116 40 0 GIABRO Cc1cccc(CO[C@@H]2CSC3(C[NH+](Cc4cccc5[nH]ccc54)C3)C2)n1 ZINC000585105314 570934497 /nfs/dbraw/zinc/93/44/97/570934497.db2.gz SVQDYYZPMLKHBD-IBGZPJMESA-N 1 0 379.529 4.148 40 0 GIABRO CC(=O)N1Cc2ccccc2OC2(CCC([N@H+](C)C[C@H]3CC=CCC3)CC2)C1 ZINC000019019845 570954952 /nfs/dbraw/zinc/95/49/52/570954952.db2.gz BXODBSMOFHJNMO-INVBSJAUSA-N 1 0 382.548 4.397 40 0 GIABRO CC(=O)N1Cc2ccccc2OC2(CCC([N@H+](C)Cc3cccs3)CC2)C1 ZINC000019019957 570955269 /nfs/dbraw/zinc/95/52/69/570955269.db2.gz OHHIEHGYSGKFPK-UHFFFAOYSA-N 1 0 384.545 4.302 40 0 GIABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 ZINC000019081904 570956239 /nfs/dbraw/zinc/95/62/39/570956239.db2.gz XGORMNGAWILSHX-SIKLNZKXSA-N 1 0 395.547 4.206 40 0 GIABRO COc1ccc(C)cc1C[N@@H+]1CCCC[C@@H]1c1cc(=O)[nH]c(-c2cccnc2)n1 ZINC000019133495 570958404 /nfs/dbraw/zinc/95/84/04/570958404.db2.gz GETVSESTLZFTJL-HXUWFJFHSA-N 1 0 390.487 4.288 40 0 GIABRO COc1ccc(C)cc1C[N@@H+]1CCCC[C@@H]1c1cc(=O)[nH]c(-c2ccncc2)n1 ZINC000019133502 570958502 /nfs/dbraw/zinc/95/85/02/570958502.db2.gz IQVODKWEDXLLNX-HXUWFJFHSA-N 1 0 390.487 4.288 40 0 GIABRO Cc1ccc(C)c([C@H](NC(=O)[C@H](c2ccc(F)cc2)N(C)C)c2ccncc2)c1 ZINC000019132176 570958534 /nfs/dbraw/zinc/95/85/34/570958534.db2.gz GDXZUXWTONVCDX-PKTZIBPZSA-N 1 0 391.490 4.346 40 0 GIABRO CCc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@H+](Cc4cccnc4)C3)cc2n1 ZINC000019522236 570994945 /nfs/dbraw/zinc/99/49/45/570994945.db2.gz IHWPQZSOHPOGDN-HNNXBMFYSA-N 1 0 389.425 4.085 40 0 GIABRO Cc1nc(C)c(C(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CC[N@H+]3C)s1 ZINC000019560134 571005454 /nfs/dbraw/zinc/00/54/54/571005454.db2.gz ZLOOAEATLFGCDU-VAMGGRTRSA-N 1 0 383.561 4.243 40 0 GIABRO COc1cc(C)c(CN2CCCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)c(C)c1C ZINC000019566941 571008256 /nfs/dbraw/zinc/00/82/56/571008256.db2.gz OCPJBNNQDBDBKP-JOCHJYFZSA-N 1 0 394.563 4.126 40 0 GIABRO COc1cc(C)c(C[NH+]2CCC(c3noc(-c4ccccn4)n3)CC2)cc1C ZINC000019567280 571008556 /nfs/dbraw/zinc/00/85/56/571008556.db2.gz KWJBBNKXUOUNIF-UHFFFAOYSA-N 1 0 378.476 4.137 40 0 GIABRO CN(C)c1cc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)nc(-c2cccnc2)n1 ZINC000019584433 571015154 /nfs/dbraw/zinc/01/51/54/571015154.db2.gz PHXRCPBQTGIDRY-LJQANCHMSA-N 1 0 391.494 4.123 40 0 GIABRO CN(C)c1cc([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)nc(-c2cccnc2)n1 ZINC000019584435 571015209 /nfs/dbraw/zinc/01/52/09/571015209.db2.gz PHXRCPBQTGIDRY-IBGZPJMESA-N 1 0 391.494 4.123 40 0 GIABRO CN(C)c1cc(C2CC[NH+](Cc3cccc(F)c3)CC2)nc(-c2ccncc2)n1 ZINC000019584612 571015278 /nfs/dbraw/zinc/01/52/78/571015278.db2.gz BTLSUACIHRIKJL-UHFFFAOYSA-N 1 0 391.494 4.123 40 0 GIABRO C[N@@H+]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)c1cc(C2CC2)on1 ZINC000019589162 571016234 /nfs/dbraw/zinc/01/62/34/571016234.db2.gz ZRWDUPKFUQKPJY-SYYKKAFVSA-N 1 0 379.504 4.035 40 0 GIABRO CNc1cc([C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)nc(-c2cccnc2)n1 ZINC000019592206 571019139 /nfs/dbraw/zinc/01/91/39/571019139.db2.gz INMPBUZTAKQRAO-SFHVURJKSA-N 1 0 377.467 4.099 40 0 GIABRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cnn(-c3ccc(F)cc3)c2)cc1OC ZINC000019656792 571023851 /nfs/dbraw/zinc/02/38/51/571023851.db2.gz YLDMAGMVSPBERF-FQEVSTJZSA-N 1 0 381.451 4.366 40 0 GIABRO C[C@H](C(=O)N1CCC(c2ccc(Cc3ccccc3F)cn2)CC1)[NH+]1CCCC1 ZINC000019687349 571028739 /nfs/dbraw/zinc/02/87/39/571028739.db2.gz LOWKKUBADCNIAW-GOSISDBHSA-N 1 0 395.522 4.002 40 0 GIABRO Cc1ccc(CN2C(=O)CCc3c(C)nc(C4CC[NH+](C(C)C)CC4)nc32)cc1 ZINC000019703778 571031537 /nfs/dbraw/zinc/03/15/37/571031537.db2.gz VPZMMAPZAHXHLC-UHFFFAOYSA-N 1 0 392.547 4.161 40 0 GIABRO CN1CCn2c(-c3ccccc3)cnc2C12CC[NH+](Cc1cccs1)CC2 ZINC000096036977 571096494 /nfs/dbraw/zinc/09/64/94/571096494.db2.gz RJQWRXMSBARPLC-UHFFFAOYSA-N 1 0 378.545 4.048 40 0 GIABRO O=C(C[C@H]1CC2(CC[NH+](Cc3cccnc3)CC2)c2ccccc21)NC1CCC1 ZINC000096052766 571097608 /nfs/dbraw/zinc/09/76/08/571097608.db2.gz GAMHAIOOURTCBY-FQEVSTJZSA-N 1 0 389.543 4.162 40 0 GIABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccsc3)CC2)c2ccccc21)NC1CC1 ZINC000096052974 571097630 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O=C(NCCSCc1ccco1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038852043 205039989 /nfs/dbraw/zinc/03/99/89/205039989.db2.gz BAIUXPXKCISWLK-QGZVFWFLSA-N 1 0 392.952 4.195 40 0 GIABRO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000038850846 205041203 /nfs/dbraw/zinc/04/12/03/205041203.db2.gz WVWLMGIKXCKQQE-XMMPIXPASA-N 1 0 376.544 4.380 40 0 GIABRO O=C1CCCN1c1ccc(C[N@@H+]2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)cc1 ZINC000036752806 205021128 /nfs/dbraw/zinc/02/11/28/205021128.db2.gz FLHDZOKGIBRZEL-IBGZPJMESA-N 1 0 388.515 4.144 40 0 GIABRO Cc1ccsc1C[N@H+](CCCN1CCOCC1)Cc1ccc(Cl)cc1 ZINC000036741268 205021903 /nfs/dbraw/zinc/02/19/03/205021903.db2.gz DNIHVEYSLOPJKH-UHFFFAOYSA-N 1 0 378.969 4.434 40 0 GIABRO C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc3c(c2)CCCN3C(=O)c2cccc(F)c2)C1 ZINC000036741238 205022204 /nfs/dbraw/zinc/02/22/04/205022204.db2.gz MVOVWXSJTIPYQX-HXOBKFHXSA-N 1 0 396.506 4.184 40 0 GIABRO Cc1c(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCCC3)C2)c(-c2ccccc2)nn1C ZINC000036752920 205022388 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CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CCc2ccc(Br)cc2)C1 ZINC000089212708 205185518 /nfs/dbraw/zinc/18/55/18/205185518.db2.gz HBFMRIMVTMFVLR-INIZCTEOSA-N 1 0 397.357 4.228 40 0 GIABRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2nccnc2-n2ccnc2C(C)C)cc1 ZINC000072359240 205334064 /nfs/dbraw/zinc/33/40/64/205334064.db2.gz AOYVCHGJRFAGLH-LJQANCHMSA-N 1 0 377.492 4.131 40 0 GIABRO Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCC[N@H+](Cc3ccccc3)C2)on1 ZINC000072342823 205328965 /nfs/dbraw/zinc/32/89/65/205328965.db2.gz SPNAPAYKTSFRQG-LJQANCHMSA-N 1 0 387.487 4.381 40 0 GIABRO COc1ccc(-c2cnc(N)nc2[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000072345898 205329794 /nfs/dbraw/zinc/32/97/94/205329794.db2.gz ZUTFRVAYTUMVFG-GOSISDBHSA-N 1 0 392.478 4.253 40 0 GIABRO O=C(C[N@H+]1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1)N1CCCCC1 ZINC000072348696 205331247 /nfs/dbraw/zinc/33/12/47/205331247.db2.gz IAKWGUVSKLOYSJ-SFHVURJKSA-N 1 0 381.495 4.080 40 0 GIABRO COc1ccccc1OCCc1cc([C@H]2CC[N@H+](Cc3ccc(F)cc3)C2)[nH]n1 ZINC000072371210 205336538 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386.923 4.410 40 0 GIABRO CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224682547 206026429 /nfs/dbraw/zinc/02/64/29/206026429.db2.gz UTJOFQBDSONXJW-HSZRJFAPSA-N 1 0 380.532 4.455 40 0 GIABRO CC[C@H](Oc1ccccc1C)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224682473 206026491 /nfs/dbraw/zinc/02/64/91/206026491.db2.gz WEGSDKJHCOWHRH-QFIPXVFZSA-N 1 0 380.532 4.455 40 0 GIABRO CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224787563 206027462 /nfs/dbraw/zinc/02/74/62/206027462.db2.gz QOPKBBJTOUOONM-HXUWFJFHSA-N 1 0 386.923 4.410 40 0 GIABRO CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224828161 206029076 /nfs/dbraw/zinc/02/90/76/206029076.db2.gz IVUASWVJHRYUBF-QHCPKHFHSA-N 1 0 396.531 4.155 40 0 GIABRO CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224828116 206029891 /nfs/dbraw/zinc/02/98/91/206029891.db2.gz IVUASWVJHRYUBF-HSZRJFAPSA-N 1 0 396.531 4.155 40 0 GIABRO CCOC1(C(=O)Nc2ccc(OCC[NH+]3CCC(C)CC3)cc2)CCCCC1 ZINC000225709105 206068691 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4.187 40 0 GIABRO CCCO[C@]1(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CCC[C@@H](C)C1 ZINC000225663542 206064497 /nfs/dbraw/zinc/06/44/97/206064497.db2.gz BYRUINFSXVJVRO-XMSQKQJNSA-N 1 0 376.541 4.331 40 0 GIABRO COc1ccccc1[C@H](C)NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000225860764 206083020 /nfs/dbraw/zinc/08/30/20/206083020.db2.gz DORPWLMQUDFCRA-INIZCTEOSA-N 1 0 386.923 4.438 40 0 GIABRO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCc2cc(Br)ccc21 ZINC000225901019 206083646 /nfs/dbraw/zinc/08/36/46/206083646.db2.gz CSVHLTMVDRATQG-SFHVURJKSA-N 1 0 399.332 4.250 40 0 GIABRO CN(C)C(=O)c1sc2nc([C@H]3CCCC[N@@H+]3C3CCCCC3)ccc2c1N ZINC000257203076 206157113 /nfs/dbraw/zinc/15/71/13/206157113.db2.gz AOOVYXDLTFPWCY-QGZVFWFLSA-N 1 0 386.565 4.440 40 0 GIABRO Cc1noc(C)c1-c1cc(C[C@H]2CC[N@H+](Cc3ccc4cc[nH]c4c3)C2)ncn1 ZINC000257230446 206162903 /nfs/dbraw/zinc/16/29/03/206162903.db2.gz GCJNRSZUBQRUKN-GOSISDBHSA-N 1 0 387.487 4.294 40 0 GIABRO Cc1ccccc1-c1noc([C@@H]2CC[N@H+](Cc3cc4c(cc3Cl)OCO4)C2)n1 ZINC000257238838 206164393 /nfs/dbraw/zinc/16/43/93/206164393.db2.gz HMSPNMZWHJNTHN-CQSZACIVSA-N 1 0 397.862 4.417 40 0 GIABRO CC1(C)Oc2cc(O)ccc2[C@H]2OCC3(CC[NH+](Cc4ccncc4)CC3)C[C@@H]21 ZINC000257272224 206170228 /nfs/dbraw/zinc/17/02/28/206170228.db2.gz NBNHXKDAYVBXIZ-RBBKRZOGSA-N 1 0 394.515 4.318 40 0 GIABRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1n[nH]c2c1CCCCCC2 ZINC000257339442 206181727 /nfs/dbraw/zinc/18/17/27/206181727.db2.gz ZBTFSLDQOGUPDU-UHFFFAOYSA-N 1 0 396.535 4.186 40 0 GIABRO Fc1ccccc1C[N@@H+]1CCC[C@@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 ZINC000306138848 206204963 /nfs/dbraw/zinc/20/49/63/206204963.db2.gz SJCSFGHTUCZTIO-HXUWFJFHSA-N 1 0 387.462 4.310 40 0 GIABRO COc1ccc(C[NH+]2CCC(c3nnc4ccc(-c5ccccc5)nn43)CC2)cc1 ZINC000306130800 206200545 /nfs/dbraw/zinc/20/05/45/206200545.db2.gz JPUXIVKENIKUDE-UHFFFAOYSA-N 1 0 399.498 4.180 40 0 GIABRO c1csc(-c2ccc3nc([C@@H]4CCC[N@@H+](Cc5ccncc5)C4)nn3c2)c1 ZINC000306132826 206200836 /nfs/dbraw/zinc/20/08/36/206200836.db2.gz LTGXGRHPMUYJCO-GOSISDBHSA-N 1 0 375.501 4.232 40 0 GIABRO O=C(c1ccsc1)N1C[C@@]2(CC[N@@H+](Cc3ccccc3F)C2)c2ncccc21 ZINC000306132959 206201173 /nfs/dbraw/zinc/20/11/73/206201173.db2.gz LXMUZIYYEHFEGE-QFIPXVFZSA-N 1 0 393.487 4.086 40 0 GIABRO c1csc(C[N@@H+]2Cc3ccccc3C3(CCN(c4cnccn4)CC3)C2)c1 ZINC000096242542 136185616 /nfs/dbraw/zinc/18/56/16/136185616.db2.gz MXWYBKBGRBFLCC-UHFFFAOYSA-N 1 0 376.529 4.092 40 0 GIABRO Cc1ccc(C[N@@H+]2Cc3ccccc3C3(CCN(c4ncc(F)cn4)CC3)C2)o1 ZINC000096242624 136185619 /nfs/dbraw/zinc/18/56/19/136185619.db2.gz JMDATRKRNMMIBI-UHFFFAOYSA-N 1 0 392.478 4.071 40 0 GIABRO CC(C)CC[N@@H+]1CC[C@@](C)(O)[C@@H](NC(=O)CC(C)(C)C)[C@@H]1c1cccs1 ZINC000514289735 560031744 /nfs/dbraw/zinc/03/17/44/560031744.db2.gz CYXJLNNHHSVJMB-IRFCIJBXSA-N 1 0 380.598 4.213 40 0 biogenic,in-vitro GIABRO CC(C)[NH2+][C@H]1CC(C)(C)[C@@H]2C[C@@](C)(O)CC[C@]12CCC(=O)NCc1ccco1 ZINC000012531709 560213045 /nfs/dbraw/zinc/21/30/45/560213045.db2.gz VOLKGPJAROKQFZ-ZZTDLJEGSA-N 1 0 390.568 4.010 40 0 biogenic,in-vitro GIABRO COc1ccc(-c2cc(C(=O)Nc3ccccc3C[NH+]3CCCC3)on2)cc1 ZINC000019718913 570210173 /nfs/dbraw/zinc/21/01/73/570210173.db2.gz QKSIDFIXEBEWSU-UHFFFAOYSA-N 1 0 377.444 4.198 40 0 GIABRO CC[C@@H](C)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(C)[nH+]1 ZINC000328982103 570210429 /nfs/dbraw/zinc/21/04/29/570210429.db2.gz GXZFGLFFZNIUKB-GFCCVEGCSA-N 1 0 380.414 4.457 40 0 GIABRO COc1ccccc1CNc1n[nH]c2nc([C@H]3CCC[N@H+](CC(C)C)C3)ccc12 ZINC000019742735 570212863 /nfs/dbraw/zinc/21/28/63/570212863.db2.gz MJANREYDKZXCGW-SFHVURJKSA-N 1 0 393.535 4.414 40 0 GIABRO CCNc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(C2CC2)[nH+]1 ZINC000329068286 570216491 /nfs/dbraw/zinc/21/64/91/570216491.db2.gz YOMNSMMNCSRLFH-UHFFFAOYSA-N 1 0 378.398 4.247 40 0 GIABRO O=C(CCc1cccnc1)N1CCC[C@@]2(CCC[N@@H+]2CCCc2ccccc2)C1 ZINC000096214580 570219508 /nfs/dbraw/zinc/21/95/08/570219508.db2.gz PTWJRUAZZWEHQJ-RUZDIDTESA-N 1 0 391.559 4.104 40 0 GIABRO CN1CCn2c(-c3ccc(F)cc3)cnc2C12CC[NH+](Cc1ccsc1)CC2 ZINC000096263354 570226535 /nfs/dbraw/zinc/22/65/35/570226535.db2.gz AMBVHJUMTHVBBR-UHFFFAOYSA-N 1 0 396.535 4.187 40 0 GIABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccc(C)cc3C)CC2)cc1 ZINC000585270117 570238852 /nfs/dbraw/zinc/23/88/52/570238852.db2.gz FRDJSOSDSNHGAV-XMMPIXPASA-N 1 0 396.531 4.058 40 0 GIABRO O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1[NH+]1CCC(Cc2ccccc2)CC1 ZINC000585290116 570257814 /nfs/dbraw/zinc/25/78/14/570257814.db2.gz SLJKMLSBRNOKIY-RBZQAINGSA-N 1 0 383.507 4.441 40 0 GIABRO COc1ccc(CCCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000020454852 570258820 /nfs/dbraw/zinc/25/88/20/570258820.db2.gz LEZPWIJPDGCPQB-UHFFFAOYSA-N 1 0 380.532 4.290 40 0 GIABRO CC(C)(C)[C@H]1CC[C@H]([N@@H+]2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585288063 570259041 /nfs/dbraw/zinc/25/90/41/570259041.db2.gz VHWZPWBOIKNBFL-DRSNIGMVSA-N 1 0 397.506 4.012 40 0 GIABRO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(-c3ccccc3)s2)[C@H](CO)[C@@H]1O ZINC000585294401 570263467 /nfs/dbraw/zinc/26/34/67/570263467.db2.gz DVZMISRHTZBMNT-MQSCRBSSSA-N 1 0 379.525 4.045 40 0 GIABRO COc1ccc2oc(C(=O)N[C@H](c3ccccn3)[C@H]3CC[C@H](C[NH3+])CC3)cc2c1 ZINC000100750255 570276689 /nfs/dbraw/zinc/27/66/89/570276689.db2.gz CTPLEIBUVGDGCS-DMPWYTOCSA-N 1 0 393.487 4.073 40 0 GIABRO CC1CC[NH+](CCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)CC1 ZINC000216308293 570298440 /nfs/dbraw/zinc/29/84/40/570298440.db2.gz TVIJUJGQYXMKHR-UHFFFAOYSA-N 1 0 391.559 4.101 40 0 GIABRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3ccc(Cl)cc3Cl)cc2)CC1 ZINC000104566216 570303250 /nfs/dbraw/zinc/30/32/50/570303250.db2.gz GQJROMLNPRPFQP-UHFFFAOYSA-N 1 0 393.314 4.396 40 0 GIABRO CC(C)[N@@H+]1CCCC[C@@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216482 570317445 /nfs/dbraw/zinc/31/74/45/570317445.db2.gz MLJWHPLJPZLZBJ-LJQANCHMSA-N 1 0 388.556 4.074 40 0 GIABRO C[C@H](O)C[NH2+]CCNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000022075216 570321627 /nfs/dbraw/zinc/32/16/27/570321627.db2.gz YDMKBNRUYYUWDG-KRWDZBQOSA-N 1 0 398.934 4.132 40 0 GIABRO C[NH+]1CCN(c2ccccc2NC(=O)/C=C/c2ccc(-c3ccccc3)o2)CC1 ZINC000408574524 570342332 /nfs/dbraw/zinc/34/23/32/570342332.db2.gz RRIJFDXGWUGVKL-WYMLVPIESA-N 1 0 387.483 4.350 40 0 GIABRO CC(=O)Nc1cccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000039767857 570446637 /nfs/dbraw/zinc/44/66/37/570446637.db2.gz VGKCWWNMKPVUFX-UHFFFAOYSA-N 1 0 385.895 4.149 40 0 GIABRO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000039753959 570447376 /nfs/dbraw/zinc/44/73/76/570447376.db2.gz YCKCOHKWUJNPGM-UHFFFAOYSA-N 1 0 380.488 4.022 40 0 GIABRO Cn1ccc2ccc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@H]43)cc21 ZINC000257198791 570447565 /nfs/dbraw/zinc/44/75/65/570447565.db2.gz IGUKVIWLZAHKCK-NXYDZRKXSA-N 1 0 389.543 4.214 40 0 GIABRO CC(=O)Nc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000039753473 570447570 /nfs/dbraw/zinc/44/75/70/570447570.db2.gz UPILUDYJHCRHQO-UHFFFAOYSA-N 1 0 385.895 4.149 40 0 GIABRO COc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1OC ZINC000039757923 570449486 /nfs/dbraw/zinc/44/94/86/570449486.db2.gz IVAAAMHLQZYCMO-UHFFFAOYSA-N 1 0 388.895 4.208 40 0 GIABRO CCOc1ccccc1CCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039759599 570449997 /nfs/dbraw/zinc/44/99/97/570449997.db2.gz ASVPYMVCLOHEFM-UHFFFAOYSA-N 1 0 380.532 4.046 40 0 GIABRO CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Br)cc1 ZINC000253611523 570484145 /nfs/dbraw/zinc/48/41/45/570484145.db2.gz XVOWKWVSFLHRFU-OALUTQOASA-N 1 0 388.305 4.228 40 0 GIABRO CO[C@]1(COc2ccc(C)cc2)CCC[N@H+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000257211783 570487107 /nfs/dbraw/zinc/48/71/07/570487107.db2.gz CAIYKEOCTMWKIA-HSZRJFAPSA-N 1 0 379.504 4.321 40 0 GIABRO CC[C@@H](Oc1ccccc1F)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224685805 570524266 /nfs/dbraw/zinc/52/42/66/570524266.db2.gz XEEJBKJDQHKRCV-OAQYLSRUSA-N 1 0 384.495 4.285 40 0 GIABRO CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010332754 570569440 /nfs/dbraw/zinc/56/94/40/570569440.db2.gz RPAGWRLORHJHSX-QGZVFWFLSA-N 1 0 379.504 4.063 40 0 GIABRO CCCOc1ccccc1C[NH+]1CCC(c2noc(-c3cnc(C)cn3)n2)CC1 ZINC000012187354 570621318 /nfs/dbraw/zinc/62/13/18/570621318.db2.gz SQMBKHCKSDZPFF-UHFFFAOYSA-N 1 0 393.491 4.003 40 0 GIABRO O=C(NCCC[NH+]1CCCCC1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000044885705 570639079 /nfs/dbraw/zinc/63/90/79/570639079.db2.gz GUMJAFDELHGRBX-UHFFFAOYSA-N 1 0 391.559 4.245 40 0 GIABRO O=C1CCCN1C[C@H]1CCC[N@@H+](CC2(c3ccc(Cl)cc3Cl)CC2)C1 ZINC000012364535 570646751 /nfs/dbraw/zinc/64/67/51/570646751.db2.gz VMKSBSDSFDTNRG-HNNXBMFYSA-N 1 0 381.347 4.359 40 0 GIABRO COc1cc(/C=C/c2cc[n+](C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000005002284 570652138 /nfs/dbraw/zinc/65/21/38/570652138.db2.gz HWSZNNZFFMQRBD-VOTSOKGWSA-O 1 0 389.475 4.016 40 0 GIABRO Cc1ncc(C[N@@H+]2[C@@H]3CC[C@@H](C3)[C@H]2COc2cccc(C(F)(F)F)c2)cn1 ZINC000012408038 570654928 /nfs/dbraw/zinc/65/49/28/570654928.db2.gz NCTYQIORPXTQPL-KVSKMBFKSA-N 1 0 377.410 4.236 40 0 GIABRO CCOC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@H](C)C3)cc2)CCCC1 ZINC000260816890 570708499 /nfs/dbraw/zinc/70/84/99/570708499.db2.gz RREPQCCBYSDEPQ-IBGZPJMESA-N 1 0 388.552 4.475 40 0 GIABRO C[C@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccc2c(c1)OCCO2 ZINC000260836399 570709582 /nfs/dbraw/zinc/70/95/82/570709582.db2.gz OZVUNZKRAHOCCF-ROUUACIJSA-N 1 0 394.515 4.181 40 0 GIABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(Cl)c1 ZINC000006548030 570747262 /nfs/dbraw/zinc/74/72/62/570747262.db2.gz DDCGVWVDFDYSHM-UHFFFAOYSA-N 1 0 387.936 4.453 40 0 GIABRO CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010335332 570788289 /nfs/dbraw/zinc/78/82/89/570788289.db2.gz HAYYFTPAGAKUCN-UHFFFAOYSA-N 1 0 393.531 4.407 40 0 GIABRO CCOc1ccccc1C(=O)NC[C@H]1CC[C@H]([C@@H](c2ccccn2)[NH+](C)C)CC1 ZINC000257218861 570889593 /nfs/dbraw/zinc/88/95/93/570889593.db2.gz DEPWMDAOCPZFAD-YDHSSHFGSA-N 1 0 395.547 4.319 40 0 GIABRO Cc1ccc(CC(=O)NC[C@H]2CC[C@H]([C@@H](c3ccccn3)[NH+](C)C)CC2)cc1 ZINC000257219848 570889946 /nfs/dbraw/zinc/88/99/46/570889946.db2.gz DILLVVLYHKUSGS-HFMPRLQTSA-N 1 0 379.548 4.158 40 0 GIABRO Cc1ncc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3CC3CCCCC3)CC2)s1 ZINC000585100629 570924877 /nfs/dbraw/zinc/92/48/77/570924877.db2.gz QRKHYNVNUOVAJS-OAQYLSRUSA-N 1 0 375.582 4.379 40 0 GIABRO Cc1nc(COCC[C@H]2CCOC23CC[NH+](Cc2cccs2)CC3)cs1 ZINC000585105210 570934596 /nfs/dbraw/zinc/93/45/96/570934596.db2.gz QICZQIKGJJCURX-KRWDZBQOSA-N 1 0 392.590 4.491 40 0 GIABRO [NH3+][C@H](CCCC[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000016927035 570935326 /nfs/dbraw/zinc/93/53/26/570935326.db2.gz FBRZWQGBQSPUMV-HSZRJFAPSA-N 1 0 388.511 4.150 40 0 GIABRO CC(C)[NH+]1CCC2(CC1)C[C@H](NC(=O)Cc1ccccc1)c1ccccc1O2 ZINC000585105939 570935442 /nfs/dbraw/zinc/93/54/42/570935442.db2.gz LKLFLJYHCTWBOU-NRFANRHFSA-N 1 0 378.516 4.112 40 0 GIABRO CCOC(=O)Nc1cc2c(c(N)[nH+]1)N=C(c1ccc(Cl)cc1Cl)CN2 ZINC000018189527 570951324 /nfs/dbraw/zinc/95/13/24/570951324.db2.gz CPDQUPLLEBTHKX-UHFFFAOYSA-N 1 0 380.235 4.085 40 0 GIABRO FC(F)(F)c1ccc(Cl)cc1Nc1ncnc2c1cnn2C1CC[NH2+]CC1 ZINC000228920635 570951662 /nfs/dbraw/zinc/95/16/62/570951662.db2.gz SXPUBTWKOXMGAJ-UHFFFAOYSA-N 1 0 396.804 4.167 40 0 GIABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000019081871 570956013 /nfs/dbraw/zinc/95/60/13/570956013.db2.gz KRKFTHKVXUPRMG-NQIIRXRSSA-N 1 0 383.511 4.336 40 0 GIABRO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000019081814 570956082 /nfs/dbraw/zinc/95/60/82/570956082.db2.gz NMKJASKBDHFFJL-RBBKRZOGSA-N 1 0 379.548 4.240 40 0 GIABRO COc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(C)c(C)c2)cc1NC(C)=O ZINC000019213881 570961375 /nfs/dbraw/zinc/96/13/75/570961375.db2.gz GIHPYDWTDXJDAB-YADHBBJMSA-N 1 0 382.504 4.141 40 0 GIABRO Cc1c(C[NH+]2CCC(O)(Cn3ccnc3C(C)C)CC2)c2ccc(C)cc2n1C ZINC000019221436 570963353 /nfs/dbraw/zinc/96/33/53/570963353.db2.gz AYYFPULJPXZELJ-UHFFFAOYSA-N 1 0 394.563 4.142 40 0 GIABRO O=C(c1cc(C2CC[NH+](Cc3ccc(Cl)cc3)CC2)no1)N1CCCCC1 ZINC000019333836 570975607 /nfs/dbraw/zinc/97/56/07/570975607.db2.gz CDXVVZYUCZHJSF-UHFFFAOYSA-N 1 0 387.911 4.334 40 0 GIABRO Clc1ccc(C[N@@H+]2CC[C@@H](c3nc(-c4cccnc4)no3)C2)cc1Cl ZINC000019340965 570977175 /nfs/dbraw/zinc/97/71/75/570977175.db2.gz CTWCILJRZNUKLQ-CQSZACIVSA-N 1 0 375.259 4.428 40 0 GIABRO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)C1CCC1 ZINC000019400679 570982216 /nfs/dbraw/zinc/98/22/16/570982216.db2.gz IXYRYDKJMXXDGB-XMSQKQJNSA-N 1 0 399.485 4.229 40 0 GIABRO CC(C)CC(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000019446660 570984586 /nfs/dbraw/zinc/98/45/86/570984586.db2.gz WXOUJDFYQJEDSB-CVDCTZTESA-N 1 0 383.511 4.336 40 0 GIABRO CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](CC2CC2)C1 ZINC000019448929 570985104 /nfs/dbraw/zinc/98/51/04/570985104.db2.gz BMAUVIDVHDFHMH-VWLOTQADSA-N 1 0 391.559 4.308 40 0 GIABRO CC(C)c1cc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCC[N@@H+]3C)on1 ZINC000019452958 570986259 /nfs/dbraw/zinc/98/62/59/570986259.db2.gz ZKYQRFJMNIFKQR-SYYKKAFVSA-N 1 0 381.520 4.281 40 0 GIABRO Cc1c[nH]c(-c2cc([C@H]3CCC[N@H+](Cc4ccc5cc[nH]c5c4)C3)nc(C)n2)n1 ZINC000585182526 571000069 /nfs/dbraw/zinc/00/00/69/571000069.db2.gz BJYBIUGCPJGNDP-IBGZPJMESA-N 1 0 386.503 4.344 40 0 GIABRO COc1ccc(C[N@@H+]2CCCC[C@H]3CN(C(=O)CCc4ccccc4)C[C@H]32)cc1 ZINC000019555302 571002908 /nfs/dbraw/zinc/00/29/08/571002908.db2.gz NWLDSYHNQMSGPQ-LADGPHEKSA-N 1 0 392.543 4.141 40 0 GIABRO Cc1nc(-c2cccnc2)sc1C(=O)N1CCCC[C@H]1C[NH+]1CCCCCC1 ZINC000019561086 571005439 /nfs/dbraw/zinc/00/54/39/571005439.db2.gz PFCJEUUINFJEST-IBGZPJMESA-N 1 0 398.576 4.384 40 0 GIABRO Cc1c2ccccc2oc1C[N@@H+]1C[C@@H](c2cccnc2)[C@]2(C1)CCCCC(=O)N2 ZINC000019566415 571008250 /nfs/dbraw/zinc/00/82/50/571008250.db2.gz VHFXTRYAANRENA-GBXCKJPGSA-N 1 0 389.499 4.165 40 0 GIABRO Cc1cc([C@H](O)C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c(C)s1 ZINC000019567844 571008588 /nfs/dbraw/zinc/00/85/88/571008588.db2.gz BWPXATQUORDRHG-GOSISDBHSA-N 1 0 399.478 4.401 40 0 GIABRO Cc1cc(C(=O)N(C)C2CCC3(CC2)C[N@H+](C)Cc2ccccc2O3)cs1 ZINC000019571595 571010240 /nfs/dbraw/zinc/01/02/40/571010240.db2.gz NNKJLQGFKRVALH-UHFFFAOYSA-N 1 0 384.545 4.334 40 0 GIABRO 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375.516 4.096 40 0 biogenic,in-vitro GIABRO CC(=O)c1cccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccs2)c1 ZINC000035290338 204151313 /nfs/dbraw/zinc/15/13/13/204151313.db2.gz HHJWKCAQFZAZEO-YQQQUEKLSA-N 1 0 383.517 4.268 40 0 GIABRO Cc1cc(C)c2nc(Cl)c(CN(CC[NH+](C)C)C(=O)c3ccco3)cc2c1 ZINC000035314222 204166760 /nfs/dbraw/zinc/16/67/60/204166760.db2.gz YNMXESDSVXPFNA-UHFFFAOYSA-N 1 0 385.895 4.302 40 0 GIABRO O=C(Nc1nnc(SCC[NH+]2CCCCC2)s1)c1ccccc1Cl ZINC000035316077 204168103 /nfs/dbraw/zinc/16/81/03/204168103.db2.gz KIGLZGCOAYCDAP-UHFFFAOYSA-N 1 0 382.942 4.022 40 0 GIABRO CCOP(=O)(OCC)[C@@H]1CCC[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]12 ZINC000005395554 204130244 /nfs/dbraw/zinc/13/02/44/204130244.db2.gz UEELLPKZJAUWGO-RTBURBONSA-N 1 0 383.425 4.032 40 0 GIABRO CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)cc1 ZINC000005676933 204145933 /nfs/dbraw/zinc/14/59/33/204145933.db2.gz NYQYXHSJVXWTDY-IBGZPJMESA-N 1 0 395.547 4.360 40 0 GIABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Cl)cc1 ZINC000006392197 204177621 /nfs/dbraw/zinc/17/76/21/204177621.db2.gz GGIRBGAATHAZQR-UHFFFAOYSA-N 1 0 387.936 4.453 40 0 GIABRO Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000007923757 204255819 /nfs/dbraw/zinc/25/58/19/204255819.db2.gz QUNZVHAVIKTEAA-UHFFFAOYSA-N 1 0 380.532 4.409 40 0 GIABRO Cc1nccc(-c2ccc(-c3noc(C[NH+]4C[C@@H]5CCCC[C@H]5C4)n3)cc2)n1 ZINC000012337173 204399654 /nfs/dbraw/zinc/39/96/54/204399654.db2.gz BKXCANRFTVQIGA-OALUTQOASA-N 1 0 375.476 4.124 40 0 GIABRO CC(C)(C)c1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1 ZINC000012293555 204388937 /nfs/dbraw/zinc/38/89/37/204388937.db2.gz LPIHUACXSTZTJA-YADHBBJMSA-N 1 0 395.543 4.368 40 0 GIABRO Cc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)cc1C ZINC000012293515 204389842 /nfs/dbraw/zinc/38/98/42/204389842.db2.gz ZHVDRMZGFHRTSL-PKTZIBPZSA-N 1 0 395.543 4.304 40 0 GIABRO COc1ccccc1C1(O)CC[NH+](Cc2ccnc3ccc(Cl)cc23)CC1 ZINC000012292919 204389884 /nfs/dbraw/zinc/38/98/84/204389884.db2.gz IRZKLRYFGNQJBW-UHFFFAOYSA-N 1 0 382.891 4.380 40 0 GIABRO COc1ccc(OCCCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000015614265 204568375 /nfs/dbraw/zinc/56/83/75/204568375.db2.gz ZMCGTVAUCXNHNV-UHFFFAOYSA-N 1 0 396.531 4.157 40 0 GIABRO CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@H+](CC2CC2)C1 ZINC000019448923 204644528 /nfs/dbraw/zinc/64/45/28/204644528.db2.gz HHRFKOILSLMIFS-RUZDIDTESA-N 1 0 391.559 4.308 40 0 GIABRO O=C(CSCc1ccccc1Cl)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024115855 204817222 /nfs/dbraw/zinc/81/72/22/204817222.db2.gz BYZGUMRMJFLWMU-UHFFFAOYSA-N 1 0 388.964 4.485 40 0 GIABRO COc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1Cl ZINC000038850232 205041293 /nfs/dbraw/zinc/04/12/93/205041293.db2.gz WDUOGECFOXORQP-HNNXBMFYSA-N 1 0 376.859 4.338 40 0 GIABRO C[C@H]1CCC[N@H+](C[C@H](O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)C1 ZINC000036741213 205021518 /nfs/dbraw/zinc/02/15/18/205021518.db2.gz NIUACUXDOIOPDD-SBUREZEXSA-N 1 0 396.506 4.184 40 0 GIABRO Cc1ccccc1C[N@H+](CCCn1ccnc1)Cc1coc2ccccc2c1=O ZINC000036740156 205022300 /nfs/dbraw/zinc/02/23/00/205022300.db2.gz PGRNXEUTAGPUTK-UHFFFAOYSA-N 1 0 387.483 4.390 40 0 GIABRO Cc1ccccc1C[N@H+](CCCn1ccnc1)Cc1ccnn1[C@H]1CCCCO1 ZINC000036740168 205022369 /nfs/dbraw/zinc/02/23/69/205022369.db2.gz CEBAELXHWLRDTE-HSZRJFAPSA-N 1 0 393.535 4.180 40 0 GIABRO O=C(Nc1cccc(Br)c1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038833946 205038757 /nfs/dbraw/zinc/03/87/57/205038757.db2.gz ODVDQLHYCXQKJQ-HNNXBMFYSA-N 1 0 391.284 4.439 40 0 GIABRO O=C(Nc1ccccc1Br)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038834900 205038772 /nfs/dbraw/zinc/03/87/72/205038772.db2.gz BDRIZGWSHRWSIP-HNNXBMFYSA-N 1 0 391.284 4.439 40 0 GIABRO Cc1nc2sccn2c1C[N@H+](CCCn1ccnc1)Cc1ccccc1C ZINC000043277694 205081700 /nfs/dbraw/zinc/08/17/00/205081700.db2.gz CPYQUHHBXXDXBU-UHFFFAOYSA-N 1 0 379.533 4.302 40 0 GIABRO COc1cc2c(cc1C[N@H+](CCCn1ccnc1)Cc1ccccc1C)OCO2 ZINC000043277691 205082232 /nfs/dbraw/zinc/08/22/32/205082232.db2.gz UFPDTEHZHGFHEB-UHFFFAOYSA-N 1 0 393.487 4.021 40 0 GIABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2cccn2-c2ccccn2)o1 ZINC000043277773 205083273 /nfs/dbraw/zinc/08/32/73/205083273.db2.gz RHBVBOAEVDDDEA-UHFFFAOYSA-N 1 0 375.476 4.063 40 0 GIABRO CCOc1ccc(CCCNC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000044851427 205087820 /nfs/dbraw/zinc/08/78/20/205087820.db2.gz YVKSSQIRGCJWLH-UHFFFAOYSA-N 1 0 394.559 4.355 40 0 GIABRO Cc1ccccc1C[NH+]1CCC(C(=O)N[C@@H](C)COc2ccccc2C)CC1 ZINC000044852545 205087990 /nfs/dbraw/zinc/08/79/90/205087990.db2.gz VUXGONXKCIIHIP-FQEVSTJZSA-N 1 0 380.532 4.099 40 0 GIABRO CC1(C)C[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c2ccccc2O1 ZINC000044918319 205091203 /nfs/dbraw/zinc/09/12/03/205091203.db2.gz OADQGKMRWGZJFF-NRFANRHFSA-N 1 0 378.516 4.317 40 0 GIABRO CC(C)Oc1cccc(CCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000044916126 205091641 /nfs/dbraw/zinc/09/16/41/205091641.db2.gz ZMWKMPZRFZKYKE-UHFFFAOYSA-N 1 0 394.559 4.435 40 0 GIABRO CC(C)Oc1cccc(CCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000044916223 205091672 /nfs/dbraw/zinc/09/16/72/205091672.db2.gz UVTJJENKRYIMNI-UHFFFAOYSA-N 1 0 380.532 4.432 40 0 GIABRO CCOC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c1C ZINC000044911691 205091788 /nfs/dbraw/zinc/09/17/88/205091788.db2.gz CTUPTSXWPYHFQH-UHFFFAOYSA-N 1 0 398.478 4.162 40 0 GIABRO COc1ccc2cc(C[N@@H+](Cc3sccc3C)C[C@H](C)O)c(OC)nc2c1 ZINC000057810268 205160697 /nfs/dbraw/zinc/16/06/97/205160697.db2.gz IOOWUNDSDDDEEI-HNNXBMFYSA-N 1 0 386.517 4.005 40 0 GIABRO COc1ccc(C[N@@H+](Cc2cccc3ncccc23)C[C@@H]2CCCO2)cc1OC ZINC000057811186 205161833 /nfs/dbraw/zinc/16/18/33/205161833.db2.gz XCTXSYHOHQJMPH-FQEVSTJZSA-N 1 0 392.499 4.433 40 0 GIABRO COc1ccc(C2(C(=O)Nc3ccc(OCC[NH+](C)C)cc3)CCCC2)cc1 ZINC000058811114 205178404 /nfs/dbraw/zinc/17/84/04/205178404.db2.gz PKBSPQUBFLYSBD-UHFFFAOYSA-N 1 0 382.504 4.086 40 0 GIABRO COc1ccc(-c2cnc(N)nc2[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC000072345926 205329562 /nfs/dbraw/zinc/32/95/62/205329562.db2.gz KBQJRSDNAFLTAJ-HXUWFJFHSA-N 1 0 388.515 4.157 40 0 GIABRO O=C(C[N@H+]1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1)N1CCCCC1 ZINC000072348697 205330299 /nfs/dbraw/zinc/33/02/99/205330299.db2.gz QZMGIXWRZXCJMB-LJQANCHMSA-N 1 0 381.495 4.080 40 0 GIABRO CCN(CC)C(=O)C[NH+]1CCC(c2cccc(Cc3ccccc3C)n2)CC1 ZINC000072348756 205330827 /nfs/dbraw/zinc/33/08/27/205330827.db2.gz MWOJMOOHJQGGHA-UHFFFAOYSA-N 1 0 379.548 4.029 40 0 GIABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3ccc(Nc4ncccc4C)cn3)C2)c(C)n1 ZINC000072353361 205332169 /nfs/dbraw/zinc/33/21/69/205332169.db2.gz YAQXWWISDPGPTA-LJQANCHMSA-N 1 0 390.535 4.433 40 0 GIABRO CNc1ncccc1C[NH+]1CCC(c2cncc(-c3cccc(F)c3)n2)CC1 ZINC000072359809 205333588 /nfs/dbraw/zinc/33/35/88/205333588.db2.gz PWQXJFUIAMVZFP-UHFFFAOYSA-N 1 0 377.467 4.099 40 0 GIABRO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCC[N@@H+]1Cc1cnc(C)s1 ZINC000072370324 205336223 /nfs/dbraw/zinc/33/62/23/205336223.db2.gz FQQHTJTYIDVJPX-AWEZNQCLSA-N 1 0 385.558 4.233 40 0 GIABRO O=c1cc(C2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc(-c2ccncc2)[nH]1 ZINC000072392700 205341245 /nfs/dbraw/zinc/34/12/45/205341245.db2.gz URIZAHULCKJENT-UHFFFAOYSA-N 1 0 380.879 4.277 40 0 GIABRO C[NH2+]C[C@H]1CC[C@H](c2cc(CN(C)Cc3cccc4cccnc43)n(C)n2)CC1 ZINC000100687702 205610175 /nfs/dbraw/zinc/61/01/75/205610175.db2.gz SINFODVGMMVUPA-KDURUIRLSA-N 1 0 391.563 4.094 40 0 GIABRO CC(C)Sc1nnc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000223338231 205997462 /nfs/dbraw/zinc/99/74/62/205997462.db2.gz BNASENYACDORKA-UHFFFAOYSA-N 1 0 376.551 4.277 40 0 GIABRO CCOc1ccc([C@]2(O)CN(c3cccc(Cl)c3)C3=[N+]2CCCCC3)cc1 ZINC000027525107 206012678 /nfs/dbraw/zinc/01/26/78/206012678.db2.gz KTYSGZSJCIDUEG-JOCHJYFZSA-N 1 0 385.915 4.389 40 0 GIABRO Cc1cc(C)cc(OCCNC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000224094381 206013345 /nfs/dbraw/zinc/01/33/45/206013345.db2.gz AQQVCNASEJCBEI-UHFFFAOYSA-N 1 0 380.532 4.019 40 0 GIABRO COc1ccc(/C=C/C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1OC ZINC000224644019 206024736 /nfs/dbraw/zinc/02/47/36/206024736.db2.gz BHWVYCJUEDJQHN-ZRDIBKRKSA-N 1 0 394.515 4.019 40 0 GIABRO Cc1cc(C)c(C)c(OCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000224675814 206026354 /nfs/dbraw/zinc/02/63/54/206026354.db2.gz JIZRHESUSMWMNR-UHFFFAOYSA-N 1 0 380.532 4.293 40 0 GIABRO CC[C@@H](Oc1ccccc1C)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224682428 206026414 /nfs/dbraw/zinc/02/64/14/206026414.db2.gz WEGSDKJHCOWHRH-JOCHJYFZSA-N 1 0 380.532 4.455 40 0 GIABRO O=C(CSCc1ccc(F)cc1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224680645 206026536 /nfs/dbraw/zinc/02/65/36/206026536.db2.gz PNDCXDAZDALEJW-UHFFFAOYSA-N 1 0 386.536 4.361 40 0 GIABRO CC[C@H](Oc1ccccc1F)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224840765 206028922 /nfs/dbraw/zinc/02/89/22/206028922.db2.gz FTZBNSCPXSFGRJ-NRFANRHFSA-N 1 0 384.495 4.285 40 0 GIABRO O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000225008550 206032303 /nfs/dbraw/zinc/03/23/03/206032303.db2.gz LVINLDZQLKKSQD-UHFFFAOYSA-N 1 0 393.531 4.152 40 0 GIABRO O=C(CCc1ccc(Cl)c(Cl)c1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000225338285 206043340 /nfs/dbraw/zinc/04/33/40/206043340.db2.gz KRHUFQIXELOGTL-UHFFFAOYSA-N 1 0 391.342 4.491 40 0 GIABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3nnc(SC(C)C)s3)CC2)cc1 ZINC000225359816 206043405 /nfs/dbraw/zinc/04/34/05/206043405.db2.gz RIXDVXKQYANZRA-UHFFFAOYSA-N 1 0 390.578 4.198 40 0 GIABRO S=C(NCCC[NH+]1CCCCC1)Nc1ccc(Br)c(Cl)c1 ZINC000225410276 206045716 /nfs/dbraw/zinc/04/57/16/206045716.db2.gz ULTHLHVMCXNEEX-UHFFFAOYSA-N 1 0 390.778 4.265 40 0 GIABRO CC(C)CSc1nnc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000225493930 206052058 /nfs/dbraw/zinc/05/20/58/206052058.db2.gz MBYVBYFBKJPRDN-UHFFFAOYSA-N 1 0 390.578 4.137 40 0 GIABRO CCOC1(C(=O)Nc2ccc(OCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CCCC1 ZINC000225706844 206069577 /nfs/dbraw/zinc/06/95/77/206069577.db2.gz LMSHLPWRFSZAAW-RTBURBONSA-N 1 0 388.552 4.331 40 0 GIABRO Cc1cc(NC(=S)NCCC[N@H+]2CCC[C@@H](C)C2)ccc1Br ZINC000225736252 206070877 /nfs/dbraw/zinc/07/08/77/206070877.db2.gz NHIWLKWIWLRYSQ-CYBMUJFWSA-N 1 0 384.387 4.166 40 0 GIABRO C[C@H]1CCCC[N@@H+]1CCOc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 ZINC000225590009 206058396 /nfs/dbraw/zinc/05/83/96/206058396.db2.gz MIPXHDQNLKYFCA-LBPRGKRZSA-N 1 0 379.715 4.249 40 0 GIABRO CCOC(=O)c1cccc(NC(=S)NCCC[N@@H+]2CCCC[C@@H]2CC)c1C ZINC000225582856 206058832 /nfs/dbraw/zinc/05/88/32/206058832.db2.gz WUSFLGICUHJPKM-KRWDZBQOSA-N 1 0 391.581 4.113 40 0 GIABRO CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225606873 206060115 /nfs/dbraw/zinc/06/01/15/206060115.db2.gz KGBOAEKYMOGINX-SELNLUPBSA-N 1 0 390.568 4.433 40 0 GIABRO CC[NH+](CC)CCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1 ZINC000225636075 206062253 /nfs/dbraw/zinc/06/22/53/206062253.db2.gz UDJAVDJVRSJICG-GCJKJVERSA-N 1 0 376.541 4.331 40 0 GIABRO CO[C@]1(C(=O)Nc2ccc(OCC[NH+]3CCCCCC3)cc2)CCC[C@@H](C)C1 ZINC000225635791 206062270 /nfs/dbraw/zinc/06/22/70/206062270.db2.gz DFDOHNHZJXGLHW-AUSIDOKSSA-N 1 0 388.552 4.475 40 0 GIABRO CC[NH+](CC)CCCOc1ccc(NC(=O)C2(OC)CCCCCC2)cc1 ZINC000225630919 206062962 /nfs/dbraw/zinc/06/29/62/206062962.db2.gz BWQVELPFXMTVNY-UHFFFAOYSA-N 1 0 376.541 4.475 40 0 GIABRO CCCO[C@@]1(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CCC[C@H](C)C1 ZINC000225663574 206063617 /nfs/dbraw/zinc/06/36/17/206063617.db2.gz BYRUINFSXVJVRO-AVRDEDQJSA-N 1 0 376.541 4.331 40 0 GIABRO CCO[C@](C)(CC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225651123 206063750 /nfs/dbraw/zinc/06/37/50/206063750.db2.gz XXOMUBTYGMDQDR-XMSQKQJNSA-N 1 0 376.541 4.331 40 0 GIABRO CC(C)Oc1ccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000225743861 206072433 /nfs/dbraw/zinc/07/24/33/206072433.db2.gz PNRFVSLCYHUBDG-UHFFFAOYSA-N 1 0 383.561 4.209 40 0 GIABRO CCCO[C@](C)(C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000225672188 206066507 /nfs/dbraw/zinc/06/65/07/206066507.db2.gz DOOYCVOGEWQIFB-MBSDFSHPSA-N 1 0 388.552 4.474 40 0 GIABRO CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225693024 206067170 /nfs/dbraw/zinc/06/71/70/206067170.db2.gz YOLADYCROIFUPV-JOCHJYFZSA-N 1 0 376.541 4.475 40 0 GIABRO CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225739100 206072343 /nfs/dbraw/zinc/07/23/43/206072343.db2.gz FIIKWNONSBFRGH-JOCHJYFZSA-N 1 0 376.541 4.475 40 0 GIABRO CC1=C[C@@H](C[NH2+]CCN(C)C)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 ZINC000030882782 206082456 /nfs/dbraw/zinc/08/24/56/206082456.db2.gz OEOHUZDXIRKCGR-FKBYEOEOSA-N 1 0 396.579 4.285 40 0 biogenic,in-vitro GIABRO Cc1ncsc1C[NH+]1CCC2(CC1)Oc1c(O)cccc1[C@H]1OCCC[C@@H]12 ZINC000257291351 206172440 /nfs/dbraw/zinc/17/24/40/206172440.db2.gz QGPDTVRBNVBKNL-QFBILLFUSA-N 1 0 386.517 4.052 40 0 GIABRO COc1cccc2c1OC1(CC[NH+](Cc3ccc(C)nc3)CC1)[C@H]1CCCO[C@H]21 ZINC000257306287 206176529 /nfs/dbraw/zinc/17/65/29/206176529.db2.gz STQIXNIBZGFFCN-RBBKRZOGSA-N 1 0 394.515 4.294 40 0 GIABRO Cc1ncsc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+][C@H]2Cc1ccccc1 ZINC000257243181 206165993 /nfs/dbraw/zinc/16/59/93/206165993.db2.gz IFUFFGLHZOHZMH-BPDSMXLESA-N 1 0 395.572 4.198 40 0 GIABRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCC[N@H+]2C ZINC000257332073 206179264 /nfs/dbraw/zinc/17/92/64/206179264.db2.gz XVQPOWQBYMHOPF-UWJYYQICSA-N 1 0 387.524 4.347 40 0 GIABRO Cc1nc(C)c(C(=O)N2[C@H](Cc3ccccc3)[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[NH2+]3)s1 ZINC000257340943 206180977 /nfs/dbraw/zinc/18/09/77/206180977.db2.gz ZIFOWPAWKMCPOO-UFWNDYSESA-N 1 0 395.572 4.116 40 0 GIABRO Cc1ccccc1C[NH+]1CCC(Cc2cccc(-c3cccnc3)c2)(C(N)=O)CC1 ZINC000257340920 206181225 /nfs/dbraw/zinc/18/12/25/206181225.db2.gz ZICPOLRYRQXBOF-UHFFFAOYSA-N 1 0 399.538 4.367 40 0 GIABRO Fc1ccccc1C[N@@H+]1CCC[C@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 ZINC000306144195 206207464 /nfs/dbraw/zinc/20/74/64/206207464.db2.gz YYULCQLXAPOMMB-FQEVSTJZSA-N 1 0 387.462 4.310 40 0 GIABRO Fc1ccc(C[N@@H+]2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cc1 ZINC000306133818 206200501 /nfs/dbraw/zinc/20/05/01/206200501.db2.gz MXANRQJGKAVFFZ-FQEVSTJZSA-N 1 0 387.462 4.310 40 0 GIABRO Fc1ccc(C[N@@H+]2CC[C@]3(C2)Cn2c(-c4ccc(F)cc4)cnc2CO3)cc1 ZINC000306130644 206202130 /nfs/dbraw/zinc/20/21/30/206202130.db2.gz JMEMXGPPJPAQPT-QFIPXVFZSA-N 1 0 381.426 4.003 40 0 GIABRO CC[NH+](CC)C[C@H]1CC2(CCN(C(=O)c3cc4cc(Cl)ccc4o3)CC2)O1 ZINC000306137333 206203128 /nfs/dbraw/zinc/20/31/28/206203128.db2.gz QTGVZUSPCCSMCB-QGZVFWFLSA-N 1 0 390.911 4.192 40 0 GIABRO Cc1cc(C)c(S(=O)(=O)N[C@H](c2ccccc2)[C@@H]([NH3+])c2ccccc2)c(C)c1 ZINC000059796882 206213831 /nfs/dbraw/zinc/21/38/31/206213831.db2.gz NHQZWDCNEJJOGT-FCHUYYIVSA-N 1 0 394.540 4.331 40 0 GIABRO O=C(c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1)N1CCCCCC1 ZINC000408831934 534700620 /nfs/dbraw/zinc/70/06/20/534700620.db2.gz WHHFTBYUVMXUOA-UHFFFAOYSA-N 1 0 391.559 4.021 40 0 GIABRO Cc1nn(-c2ccc(F)cc2)c(C)c1-c1cncn1CCC[NH+]1CCCCC1 ZINC000019719653 570210615 /nfs/dbraw/zinc/21/06/15/570210615.db2.gz CDTYMJFZZQCKPI-UHFFFAOYSA-N 1 0 381.499 4.368 40 0 GIABRO Clc1ccc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(-c4ccccc4)nc23)cc1 ZINC000096244346 570223648 /nfs/dbraw/zinc/22/36/48/570223648.db2.gz UJXWYXKGWQMVRU-HSZRJFAPSA-N 1 0 391.902 4.471 40 0 GIABRO Clc1ccc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(-c4ccccc4)nc23)cc1 ZINC000096244347 570223698 /nfs/dbraw/zinc/22/36/98/570223698.db2.gz UJXWYXKGWQMVRU-QHCPKHFHSA-N 1 0 391.902 4.471 40 0 GIABRO Cc1cnc(Nc2cccc([C@H]3CCC[N@@H+](Cc4cnn(C)c4C)C3)n2)s1 ZINC000585262707 570230039 /nfs/dbraw/zinc/23/00/39/570230039.db2.gz VHGXAARSUVMMSL-INIZCTEOSA-N 1 0 382.537 4.012 40 0 GIABRO Fc1cccc(COc2ccc(Nc3ncnc4c3C[NH2+]CC4)cc2Cl)c1 ZINC000585263987 570232129 /nfs/dbraw/zinc/23/21/29/570232129.db2.gz VAWBSWWDJNVMAA-UHFFFAOYSA-N 1 0 384.842 4.237 40 0 GIABRO COc1ccccc1OC[C@@H](O)C[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000028295257 570248561 /nfs/dbraw/zinc/24/85/61/570248561.db2.gz PTUNLEUWIKIBMV-QHCPKHFHSA-N 1 0 391.511 4.180 40 0 GIABRO Cc1cc(C)cc(OC[C@@]2(O)C[N@@H+]([C@H]3CC[C@H](C(C)(C)C)CC3)CC[C@@H]2O)c1 ZINC000585287541 570258721 /nfs/dbraw/zinc/25/87/21/570258721.db2.gz ODXQVZRJZORXSZ-QDNNMPSSSA-N 1 0 389.580 4.085 40 0 GIABRO CCOC(=O)c1cccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000020484383 570262042 /nfs/dbraw/zinc/26/20/42/570262042.db2.gz APWHMPVXVCKXSC-QGZVFWFLSA-N 1 0 380.488 4.348 40 0 GIABRO CC[NH+](CC)CCN(C(=O)Cc1cccc2ccccc21)c1ccccc1N ZINC000001722346 570267652 /nfs/dbraw/zinc/26/76/52/570267652.db2.gz ADUSWTAKQAFGGV-UHFFFAOYSA-N 1 0 375.516 4.340 40 0 GIABRO C[N@@H+]1CCCC[C@@H](n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)C1 ZINC000022002223 570301543 /nfs/dbraw/zinc/30/15/43/570301543.db2.gz OEYDBWKMXFZENQ-GOSISDBHSA-N 1 0 381.907 4.298 40 0 GIABRO CC(C)C[N@@H+]1CCN(CCCOC(=O)Nc2cccc3ccccc32)C[C@@H]1C ZINC000022795758 570328407 /nfs/dbraw/zinc/32/84/07/570328407.db2.gz OQIXGFCGZSJOEY-IBGZPJMESA-N 1 0 383.536 4.441 40 0 GIABRO COc1ccccc1OCCc1cc([C@H]2CC[N@H+](Cc3ccccc3)C2)[nH]n1 ZINC000072371192 570339920 /nfs/dbraw/zinc/33/99/20/570339920.db2.gz ORFSXAAJCIBGBU-IBGZPJMESA-N 1 0 377.488 4.029 40 0 GIABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1F)Nc1nc(C2CC2)c(Cc2ccc(F)cc2)s1 ZINC000685938979 570398585 /nfs/dbraw/zinc/39/85/85/570398585.db2.gz PHAQBQSJYZAIJZ-HOCLYGCPSA-N 1 0 391.487 4.027 40 0 GIABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCSc3ccc(C)cc3)CC2)cc1 ZINC000039765950 570446067 /nfs/dbraw/zinc/44/60/67/570446067.db2.gz DXCIEOONKZNQDA-UHFFFAOYSA-N 1 0 382.573 4.424 40 0 GIABRO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCC2 ZINC000223242647 570452394 /nfs/dbraw/zinc/45/23/94/570452394.db2.gz LBFDOQJIMSJJSD-VGOFRKELSA-N 1 0 380.507 4.404 40 0 GIABRO CC[C@@H](Oc1cccc2ccccc21)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000030860399 570499184 /nfs/dbraw/zinc/49/91/84/570499184.db2.gz RJKRJCCYEZXSMZ-WOIUINJBSA-N 1 0 382.548 4.481 40 0 GIABRO CC(=O)Nc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000030943486 570501360 /nfs/dbraw/zinc/50/13/60/570501360.db2.gz PYLHRUMKXGJDGR-QGZVFWFLSA-N 1 0 385.895 4.149 40 0 GIABRO COc1ccc(CN(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000030946073 570501957 /nfs/dbraw/zinc/50/19/57/570501957.db2.gz UIXVSMGUANHGQP-LJQANCHMSA-N 1 0 386.923 4.219 40 0 GIABRO Cc1ccc(C(C)C)c(OCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000032462283 570510708 /nfs/dbraw/zinc/51/07/08/570510708.db2.gz ORGPUZDKFHEQHI-UHFFFAOYSA-N 1 0 380.532 4.409 40 0 GIABRO CC[C@H](Oc1ccccc1OC)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224685727 570524474 /nfs/dbraw/zinc/52/44/74/570524474.db2.gz FQQNZCRAKCKIQZ-NRFANRHFSA-N 1 0 396.531 4.155 40 0 GIABRO Cc1ccc(O[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1C ZINC000224685318 570524548 /nfs/dbraw/zinc/52/45/48/570524548.db2.gz GXNZRWFUDQKENZ-FQEVSTJZSA-N 1 0 380.532 4.373 40 0 GIABRO C[C@H]1C[C@H](OC[C@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)CC(C)(C)C1 ZINC000035083523 570549204 /nfs/dbraw/zinc/54/92/04/570549204.db2.gz AQXFPFUNXBPFNS-WMQCIHAUSA-N 1 0 394.987 4.054 40 0 GIABRO CCOC(=O)C1=C(C)Nc2[nH+]c3c(c(N)c2[C@H]1c1ccc(C)cc1)CCCC3 ZINC000035079609 570549329 /nfs/dbraw/zinc/54/93/29/570549329.db2.gz QTVIWMLMXFVZIY-IBGZPJMESA-N 1 0 377.488 4.246 40 0 GIABRO CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260812545 570707289 /nfs/dbraw/zinc/70/72/89/570707289.db2.gz GCEOQXRIPTXWPQ-AVRDEDQJSA-N 1 0 376.541 4.187 40 0 GIABRO CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000005944754 570736679 /nfs/dbraw/zinc/73/66/79/570736679.db2.gz KNDQEFMAIQDKMX-UHFFFAOYSA-N 1 0 397.544 4.196 40 0 GIABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2ccccc2Cl)cc1 ZINC000006629904 570748014 /nfs/dbraw/zinc/74/80/14/570748014.db2.gz GEOCJLGOPSGKLR-UHFFFAOYSA-N 1 0 375.925 4.309 40 0 GIABRO C[NH+](C)CCCN(Cc1ccc(-n2cnc3ccccc32)cc1)Cc1ccccn1 ZINC000013990798 570868242 /nfs/dbraw/zinc/86/82/42/570868242.db2.gz WAYDEBNMEFITGK-UHFFFAOYSA-N 1 0 399.542 4.374 40 0 GIABRO COc1cc(CN(Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)ccc1O ZINC000013992645 570868671 /nfs/dbraw/zinc/86/86/71/570868671.db2.gz YNCXQTGXXGSMIM-UHFFFAOYSA-N 1 0 383.536 4.107 40 0 GIABRO COc1cc(CN(Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1 ZINC000013992656 570868695 /nfs/dbraw/zinc/86/86/95/570868695.db2.gz BBZXDSMTVOPIOU-UHFFFAOYSA-N 1 0 397.563 4.410 40 0 GIABRO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1)c1ccccn1 ZINC000019400318 570925367 /nfs/dbraw/zinc/92/53/67/570925367.db2.gz SLQWNPMMVOQJQU-NSHGMRRFSA-N 1 0 396.560 4.078 40 0 GIABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000019081875 570956208 /nfs/dbraw/zinc/95/62/08/570956208.db2.gz KRKFTHKVXUPRMG-RXVVDRJESA-N 1 0 383.511 4.336 40 0 GIABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000019081812 570956330 /nfs/dbraw/zinc/95/63/30/570956330.db2.gz NMKJASKBDHFFJL-UNMCSNQZSA-N 1 0 379.548 4.240 40 0 GIABRO COc1ccc(C(C)(C)C)cc1C[N@H+]1C[C@H]2[C@H](CC[C@]2(O)c2ccccn2)C1 ZINC000019084436 570956612 /nfs/dbraw/zinc/95/66/12/570956612.db2.gz BUFINNQEMCXUDC-VWQFJMCTSA-N 1 0 380.532 4.117 40 0 GIABRO COc1ccc(C[N@H+](Cc2ccccc2)[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1 ZINC000019120634 570957193 /nfs/dbraw/zinc/95/71/93/570957193.db2.gz ISHAWOAQHXCCAG-ZJSXRUAMSA-N 1 0 392.499 4.252 40 0 GIABRO Cc1ccc(C)c([C@@H](NC(=O)[C@H](c2ccc(F)cc2)N(C)C)c2ccncc2)c1 ZINC000019132168 570958465 /nfs/dbraw/zinc/95/84/65/570958465.db2.gz GDXZUXWTONVCDX-GOTSBHOMSA-N 1 0 391.490 4.346 40 0 GIABRO O=C(C[C@@H]([NH2+]Cc1cccnc1)c1ccccc1)c1cc2ccccc2oc1=O ZINC000019203798 570959891 /nfs/dbraw/zinc/95/98/91/570959891.db2.gz RROWDJCLCBRYJF-OAQYLSRUSA-N 1 0 384.435 4.292 40 0 GIABRO Cc1cccc(C2(O)CC[NH+](Cc3c4cccnc4[nH]c3C(F)(F)F)CC2)c1 ZINC000019234511 570965156 /nfs/dbraw/zinc/96/51/56/570965156.db2.gz QARSWSOWBLZRFS-UHFFFAOYSA-N 1 0 389.421 4.374 40 0 GIABRO CNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CC[N@H+](Cc2cccc(C)n2)C1 ZINC000019236133 570966589 /nfs/dbraw/zinc/96/65/89/570966589.db2.gz PEJKXLDCIKBGCR-SANMLTNESA-N 1 0 399.538 4.238 40 0 GIABRO COc1cc2c(cc1C[N@@H+]1C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C1)CCCC2 ZINC000019237851 570967161 /nfs/dbraw/zinc/96/71/61/570967161.db2.gz LUBPKVYMVIJJJJ-HOKHCIIBSA-N 1 0 392.543 4.007 40 0 GIABRO Cc1cccnc1[C@@]1(O)CC[C@@H]2C[N@H+](Cc3ccccc3OC3CCCC3)C[C@@H]21 ZINC000019237752 570967257 /nfs/dbraw/zinc/96/72/57/570967257.db2.gz WNIHDLBABKQBAR-RZTXVSJASA-N 1 0 392.543 4.441 40 0 GIABRO Cc1ccsc1C[N@H+](CCCN1CCOCC1)CC1=Cc2ccccc2OC1 ZINC000019238570 570967789 /nfs/dbraw/zinc/96/77/89/570967789.db2.gz WDDLRHMDEGCPKZ-UHFFFAOYSA-N 1 0 398.572 4.057 40 0 GIABRO Cc1nccc(-c2cccc(-c3noc(C[N@H+](C)CCc4ccccc4)n3)c2)n1 ZINC000019287576 570970128 /nfs/dbraw/zinc/97/01/28/570970128.db2.gz QTLQWFLGLXWKHG-UHFFFAOYSA-N 1 0 385.471 4.177 40 0 GIABRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)CC(C)C)c3ccccn3)C2)c1 ZINC000019446664 570984527 /nfs/dbraw/zinc/98/45/27/570984527.db2.gz ZKHZGQPOXIOMLL-HYBUGGRVSA-N 1 0 395.547 4.206 40 0 GIABRO CC(C)CC(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000019446702 570984578 /nfs/dbraw/zinc/98/45/78/570984578.db2.gz URTHDCIJVHOKLV-HSZRJFAPSA-N 1 0 383.511 4.336 40 0 GIABRO CC(C)CC(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000019446662 570984606 /nfs/dbraw/zinc/98/46/06/570984606.db2.gz WXOUJDFYQJEDSB-WMZHIEFXSA-N 1 0 383.511 4.336 40 0 GIABRO COc1ccccc1CN(CC[NH+](C)C)Cc1c2cccnc2[nH]c1C(C)C ZINC000019451506 570985746 /nfs/dbraw/zinc/98/57/46/570985746.db2.gz YYMYNUKJTOGIRW-UHFFFAOYSA-N 1 0 380.536 4.259 40 0 GIABRO COc1ccc(-n2ncc3c2C[C@@H]2CC[C@H]3[N@@H+]2Cc2cccc(OC)c2)cc1 ZINC000019558906 571004411 /nfs/dbraw/zinc/00/44/11/571004411.db2.gz TUGXIERRCDJQCM-PGRDOPGGSA-N 1 0 375.472 4.151 40 0 GIABRO COc1ccc([C@@H]2CCCN2C(=O)[C@H](c2ccccc2)[NH+]2CCCC2)cc1OC ZINC000019560172 571005512 /nfs/dbraw/zinc/00/55/12/571005512.db2.gz FYQCRGMKAWFBIM-REWPJTCUSA-N 1 0 394.515 4.204 40 0 GIABRO Cc1ncsc1-c1nnc([C@@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)o1 ZINC000019562777 571006318 /nfs/dbraw/zinc/00/63/18/571006318.db2.gz VHYWWSZHEMKWPG-QGZVFWFLSA-N 1 0 391.500 4.429 40 0 GIABRO CC(=O)NC1(c2ccccc2)CC[NH+](Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000019658945 571025099 /nfs/dbraw/zinc/02/50/99/571025099.db2.gz HZDPLUYKUYFFOK-UHFFFAOYSA-N 1 0 378.516 4.028 40 0 GIABRO Cc1c(C[N@@H+]2CCC[C@@H]2c2cc(Cc3cccc(F)c3)cc(C)n2)cnn1C ZINC000019690887 571029145 /nfs/dbraw/zinc/02/91/45/571029145.db2.gz SNDSMDHZEQXKQZ-HSZRJFAPSA-N 1 0 378.495 4.499 40 0 GIABRO Cc1nc([C@@H]2CCCC[N@@H+]2CC2CC2)nc2c1CCCN2Cc1ccccn1 ZINC000019706234 571032357 /nfs/dbraw/zinc/03/23/57/571032357.db2.gz RIRINJFXNZXJBL-NRFANRHFSA-N 1 0 377.536 4.070 40 0 GIABRO Cc1ccc(C[NH+]2CCC3(CC2)c2ncc(-c4ccc(C)cc4)n2CCN3C)o1 ZINC000096037083 571096378 /nfs/dbraw/zinc/09/63/78/571096378.db2.gz ADFDNHWTWXXQQP-UHFFFAOYSA-N 1 0 390.531 4.197 40 0 GIABRO Cc1ccc(-c2cnc3n2CCN(C)C32CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000096037080 571096535 /nfs/dbraw/zinc/09/65/35/571096535.db2.gz YJHHHSUUSQBZIH-UHFFFAOYSA-N 1 0 392.572 4.357 40 0 GIABRO c1csc(C[NH+]2CCC(c3nc4ccc(-c5ccncc5)cn4n3)CC2)c1 ZINC000096038241 571097350 /nfs/dbraw/zinc/09/73/50/571097350.db2.gz XNAOPIAFKDTYQK-UHFFFAOYSA-N 1 0 375.501 4.232 40 0 GIABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3nccs3)CC2)c2ccccc21)NCC1CC1 ZINC000096052669 571097586 /nfs/dbraw/zinc/09/75/86/571097586.db2.gz JCJITFMSJHMJHD-GOSISDBHSA-N 1 0 395.572 4.081 40 0 GIABRO CCN(CC)C(=O)C[C@H]1CC2(CC[NH+](Cc3cccnc3)CC2)c2ccccc21 ZINC000096053050 571097668 /nfs/dbraw/zinc/09/76/68/571097668.db2.gz YLRBLRAGNNWXIT-NRFANRHFSA-N 1 0 391.559 4.361 40 0 GIABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccoc3)CC2)Oc2ccccc21)N1CCCC1 ZINC000096053207 571098055 /nfs/dbraw/zinc/09/80/55/571098055.db2.gz WXOROVCRWQPUKL-HXUWFJFHSA-N 1 0 394.515 4.193 40 0 GIABRO C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)c2cccc(F)c2)C1 ZINC000012291546 818152866 /nfs/dbraw/zinc/15/28/66/818152866.db2.gz MVOVWXSJTIPYQX-UZUQRXQVSA-N 1 0 396.506 4.184 40 0 GIABRO CC[NH+](CC)[C@@H]1C[C@H](C(C)C)O[C@H](c2ccc(NC(=O)c3cc[nH]n3)cc2)C1 ZINC000019711870 818601777 /nfs/dbraw/zinc/60/17/77/818601777.db2.gz YCOXXRXRXXBCHX-NRSPTQNISA-N 1 0 384.524 4.249 40 0 GIABRO COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CC[N@@H+]3CCc2ccccc2)cc1 ZINC000019713164 818603422 /nfs/dbraw/zinc/60/34/22/818603422.db2.gz LSUJVAVGYJOSHA-RPWUZVMVSA-N 1 0 392.543 4.283 40 0 GIABRO COc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000044933147 821681442 /nfs/dbraw/zinc/68/14/42/821681442.db2.gz TULIAJBVIRCGBA-LPHOPBHVSA-N 1 0 386.923 4.438 40 0 GIABRO Cc1cccc(Cl)c1Nc1cc(-c2ccccc2)nc(NCCC[NH+](C)C)n1 ZINC000329004419 206241403 /nfs/dbraw/zinc/24/14/03/206241403.db2.gz KSICTYGSAVFADG-UHFFFAOYSA-N 1 0 395.938 4.056 40 0 GIABRO CCc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(NC2CCCC2)[nH+]1 ZINC000329040732 206242584 /nfs/dbraw/zinc/24/25/84/206242584.db2.gz SEEOYZKWHCBPFW-UHFFFAOYSA-N 1 0 380.536 4.184 40 0 GIABRO COc1cccc([C@@H]2CCCN2C(=O)C[NH+]2CCC(c3ccccc3)CC2)c1 ZINC000035316868 206263304 /nfs/dbraw/zinc/26/33/04/206263304.db2.gz IBHBFFHRRHTPCS-QHCPKHFHSA-N 1 0 378.516 4.238 40 0 GIABRO COc1cccc([C@H]2CCCN2C(=O)C[NH+]2CCC(c3ccccc3)CC2)c1 ZINC000035316871 206263438 /nfs/dbraw/zinc/26/34/38/206263438.db2.gz IBHBFFHRRHTPCS-HSZRJFAPSA-N 1 0 378.516 4.238 40 0 GIABRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2)CC1 ZINC000255187571 206284824 /nfs/dbraw/zinc/28/48/24/206284824.db2.gz FKLGTIIKOHKWRT-WKILWMFISA-N 1 0 383.330 4.375 40 0 GIABRO Cn1ccc2cc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@@H]56)[C@@H]43)ccc21 ZINC000257198574 206287790 /nfs/dbraw/zinc/28/77/90/206287790.db2.gz CNRGJYDKCFDOQL-SGKWCMOWSA-N 1 0 389.543 4.214 40 0 GIABRO O[C@]1(c2cccs2)CN(c2cccc(C(F)(F)F)c2)C2=[N+]1CCCCC2 ZINC000001105693 206352840 /nfs/dbraw/zinc/35/28/40/206352840.db2.gz KYSGVHZUAPQQRT-SFHVURJKSA-N 1 0 381.443 4.417 40 0 GIABRO CC[NH+](CC)CCCN[C@H](c1ccc(OC)c(OC)c1)C(Cl)(Cl)Cl ZINC000001708588 206390575 /nfs/dbraw/zinc/39/05/75/206390575.db2.gz JBAYWFJJBDOWFT-MRXNPFEDSA-N 1 0 397.774 4.437 40 0 GIABRO C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000015614118 207053595 /nfs/dbraw/zinc/05/35/95/207053595.db2.gz JYQHFCVKIFAIFX-KRWDZBQOSA-N 1 0 386.923 4.410 40 0 GIABRO C/C(=C\c1ccccc1)C[NH+]1CCC([C@H](NC(=O)C2CC2)c2ccccn2)CC1 ZINC000019014357 207099669 /nfs/dbraw/zinc/09/96/69/207099669.db2.gz FLVAFNGTIQGZHB-VSRFVYNTSA-N 1 0 389.543 4.464 40 0 GIABRO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000019081952 207102206 /nfs/dbraw/zinc/10/22/06/207102206.db2.gz JPPYRTFLYWLVLC-WIYYLYMNSA-N 1 0 383.511 4.336 40 0 GIABRO CC(C)(C)[C@@H]1CCc2onc(C(=O)N3CCCC[C@H]3CC[NH+]3CCCC3)c2C1 ZINC000019082421 207102941 /nfs/dbraw/zinc/10/29/41/207102941.db2.gz VOYVVTFATHRADG-MSOLQXFVSA-N 1 0 387.568 4.306 40 0 GIABRO COc1ccc(C)cc1NC(=O)c1cc(C2CC[NH+](C3CCCC3)CC2)no1 ZINC000019133807 207104123 /nfs/dbraw/zinc/10/41/23/207104123.db2.gz WNXSYFMDQMTFHP-UHFFFAOYSA-N 1 0 383.492 4.366 40 0 GIABRO COc1cc(C)ccc1C[NH2+][C@H](Cc1cc(=O)[nH]c(C)n1)c1ccc(Cl)cc1 ZINC000019134154 207105300 /nfs/dbraw/zinc/10/53/00/207105300.db2.gz LNHUUOUYZCIQMJ-HXUWFJFHSA-N 1 0 397.906 4.122 40 0 GIABRO COc1ccc(C[N@@H+]2CC[C@H](c3cc(-c4ccc(C)cc4)n[nH]3)C2)cc1OC ZINC000019212114 207107489 /nfs/dbraw/zinc/10/74/89/207107489.db2.gz IMKFNCKGSBDQNC-IBGZPJMESA-N 1 0 377.488 4.392 40 0 GIABRO CCc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)cc2n1 ZINC000019522235 207126258 /nfs/dbraw/zinc/12/62/58/207126258.db2.gz IHWPQZSOHPOGDN-OAHLLOKOSA-N 1 0 389.425 4.085 40 0 GIABRO CCN(C[C@H]1OCCc2ccccc21)C(=O)c1cc(C[NH+]2CCCCC2)c(C)o1 ZINC000019526566 207127840 /nfs/dbraw/zinc/12/78/40/207127840.db2.gz FZXMJAWGLPCUQN-HSZRJFAPSA-N 1 0 396.531 4.350 40 0 GIABRO CCn1cc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4cccc(C)c4)n3)CC2)c(C)n1 ZINC000019524525 207129393 /nfs/dbraw/zinc/12/93/93/207129393.db2.gz KRSJKQULQYGSNQ-UHFFFAOYSA-N 1 0 391.519 4.062 40 0 GIABRO CC(C)CC(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000019446657 207121383 /nfs/dbraw/zinc/12/13/83/207121383.db2.gz WXOUJDFYQJEDSB-XXBNENTESA-N 1 0 383.511 4.336 40 0 GIABRO Cc1cc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2C)c(C[NH+]2CCCC2)o1 ZINC000019567809 207137238 /nfs/dbraw/zinc/13/72/38/207137238.db2.gz JNEMSPDOJOJPBK-INIZCTEOSA-N 1 0 377.488 4.425 40 0 GIABRO O=C1[C@@H](C2CC[NH+](Cc3ccncc3)CC2)CC=CCN1Cc1ccc(F)cc1 ZINC000019695789 207148869 /nfs/dbraw/zinc/14/88/69/207148869.db2.gz JUSUGLHVVMZKCL-HSZRJFAPSA-N 1 0 393.506 4.038 40 0 GIABRO COc1cccc(OC)c1-c1cnc(N(C)C)nc1C1CC[NH+](CC(C)C)CC1 ZINC000019694110 207149357 /nfs/dbraw/zinc/14/93/57/207149357.db2.gz NZCSIUPTHZHHDR-UHFFFAOYSA-N 1 0 398.551 4.062 40 0 GIABRO C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)CCCc1ccccn1 ZINC000019590179 207141064 /nfs/dbraw/zinc/14/10/64/207141064.db2.gz FBWQVJNQFLMFGG-VDKIKQQVSA-N 1 0 391.559 4.273 40 0 GIABRO O=C1[C@@H](C2CC[NH+](Cc3cccnc3)CC2)CCCCN1Cc1ccccc1 ZINC000019703730 207151052 /nfs/dbraw/zinc/15/10/52/207151052.db2.gz UOLNSNZEVZMPIZ-HSZRJFAPSA-N 1 0 377.532 4.123 40 0 GIABRO COc1ccccc1CNc1n[nH]c2nc([C@H]3CCC[NH2+]3)cc(C(F)(F)F)c12 ZINC000019703379 207151172 /nfs/dbraw/zinc/15/11/72/207151172.db2.gz GPJYBEBUIOJJAZ-CYBMUJFWSA-N 1 0 391.397 4.022 40 0 GIABRO Cc1onc(-c2ccccc2Cl)c1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000019718274 207154889 /nfs/dbraw/zinc/15/48/89/207154889.db2.gz DZWLSGJNKYWDSW-UHFFFAOYSA-N 1 0 375.900 4.298 40 0 GIABRO COC(=O)c1ccc(C)c(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000020049026 207175470 /nfs/dbraw/zinc/17/54/70/207175470.db2.gz BILKXUIXTWJDIM-UHFFFAOYSA-N 1 0 380.488 4.266 40 0 GIABRO CCOc1ccc(N2C[C@](O)(c3ccc(Cl)cc3)[N+]3=C2CCCCC3)cc1 ZINC000022408690 207254168 /nfs/dbraw/zinc/25/41/68/207254168.db2.gz GCWMUIQATJSMAJ-QFIPXVFZSA-N 1 0 385.915 4.389 40 0 GIABRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(OC)cc1 ZINC000028296112 207340541 /nfs/dbraw/zinc/34/05/41/207340541.db2.gz KGRHZNBYOBAOJK-NRFANRHFSA-N 1 0 393.487 4.163 40 0 GIABRO COc1ccc(OCCCC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000030552244 207372618 /nfs/dbraw/zinc/37/26/18/207372618.db2.gz OAIJZLCRDKHZBY-UHFFFAOYSA-N 1 0 396.531 4.157 40 0 GIABRO O[C@@H](COc1cccc2ccccc21)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000029589831 207365358 /nfs/dbraw/zinc/36/53/58/207365358.db2.gz LNTLXTBBTXSOSV-OAQYLSRUSA-N 1 0 396.918 4.055 40 0 GIABRO CC1CC[NH+](CCCNC(=O)CSCc2ccc(Cl)c(Cl)c2)CC1 ZINC000030847592 207376165 /nfs/dbraw/zinc/37/61/65/207376165.db2.gz DLEIPAOARVOMSW-UHFFFAOYSA-N 1 0 389.392 4.465 40 0 GIABRO CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000030866277 207376786 /nfs/dbraw/zinc/37/67/86/207376786.db2.gz UIQWFEHYMMBADH-DNVFCKCGSA-N 1 0 382.548 4.481 40 0 GIABRO CCCNC(=O)c1ccccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000030939572 207378460 /nfs/dbraw/zinc/37/84/60/207378460.db2.gz NCDPLUSLJCGCOM-SFHVURJKSA-N 1 0 393.531 4.311 40 0 GIABRO O=S(=O)(NCc1ccccc1C[NH+]1CCCC1)c1cc(Cl)ccc1Cl ZINC000031075304 207379970 /nfs/dbraw/zinc/37/99/70/207379970.db2.gz KHCAYSPYZNBSLW-UHFFFAOYSA-N 1 0 399.343 4.068 40 0 GIABRO CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872843 207641897 /nfs/dbraw/zinc/64/18/97/207641897.db2.gz QNWDHWBLVCKVAX-IBGZPJMESA-N 1 0 380.532 4.490 40 0 GIABRO Cc1cnc(-c2nnc([C@H]3CCC[N@@H+](Cc4ccc(C(C)C)cc4)C3)o2)cn1 ZINC000072390062 208013084 /nfs/dbraw/zinc/01/30/84/208013084.db2.gz WFJAFDMPLHMUOC-IBGZPJMESA-N 1 0 377.492 4.338 40 0 GIABRO Cc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@H+](Cc4ccncc4C)C3)cc2n1 ZINC000072397145 208013883 /nfs/dbraw/zinc/01/38/83/208013883.db2.gz WKOGRIRKJPVJOI-MRXNPFEDSA-N 1 0 389.425 4.140 40 0 GIABRO CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+](Cc3ccoc3)CC2)Oc2ccccc21 ZINC000096053462 208258159 /nfs/dbraw/zinc/25/81/59/208258159.db2.gz NIRVKHMHXPFQGQ-HXUWFJFHSA-N 1 0 396.531 4.439 40 0 GIABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccco3)CC2)Oc2ccccc21)NC1CCC1 ZINC000096053376 208258901 /nfs/dbraw/zinc/25/89/01/208258901.db2.gz FFLNYKROIJCXGE-SFHVURJKSA-N 1 0 394.515 4.239 40 0 GIABRO CC(C)CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccoc3)CC2)Oc2ccccc21 ZINC000096053508 208259122 /nfs/dbraw/zinc/25/91/22/208259122.db2.gz BWQWQXAKRRQUFV-HXUWFJFHSA-N 1 0 396.531 4.343 40 0 GIABRO CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+](Cc3ccccn3)CC2)c2ccccc21 ZINC000096053047 208259362 /nfs/dbraw/zinc/25/93/62/208259362.db2.gz AQNBMEZRNRDBLU-HXUWFJFHSA-N 1 0 391.559 4.361 40 0 GIABRO O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000096627690 208320338 /nfs/dbraw/zinc/32/03/38/208320338.db2.gz AKNDRVPOKBLPFB-KRWDZBQOSA-N 1 0 394.412 4.373 40 0 GIABRO O=C(c1ccsc1)N1C[C@]2(CC[N@H+](Cc3ccsc3)C2)c2ncccc21 ZINC000306138134 209104923 /nfs/dbraw/zinc/10/49/23/209104923.db2.gz RPZRQRJTAJJQKA-HXUWFJFHSA-N 1 0 381.526 4.009 40 0 GIABRO Cc1cccc(C[N@@H+]2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306135817 209104000 /nfs/dbraw/zinc/10/40/00/209104000.db2.gz PBWYXVGEWYJISM-JOCHJYFZSA-N 1 0 383.499 4.479 40 0 GIABRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)Cn2c(-c4cccc(F)c4)cnc2CO3)s1 ZINC000306133141 209101823 /nfs/dbraw/zinc/10/18/23/209101823.db2.gz MDEKIGIBODGDQE-NRFANRHFSA-N 1 0 383.492 4.234 40 0 GIABRO O=C(c1ccsc1)N1C[C@]2(CC[N@H+](Cc3cccs3)C2)c2ncccc21 ZINC000306128422 209100494 /nfs/dbraw/zinc/10/04/94/209100494.db2.gz GZVQCSLJLJLTOV-HXUWFJFHSA-N 1 0 381.526 4.009 40 0 GIABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCOc3ccccc3Cl)CC2)cc1 ZINC000224530429 208928155 /nfs/dbraw/zinc/92/81/55/208928155.db2.gz GNAFIQQXJYOYKQ-UHFFFAOYSA-N 1 0 386.923 4.056 40 0 GIABRO CC(=O)Nc1cc(CCC2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)ccn1 ZINC000257245294 209058958 /nfs/dbraw/zinc/05/89/58/209058958.db2.gz IOWHMIIMSWVGBA-UHFFFAOYSA-N 1 0 376.504 4.366 40 0 GIABRO C[N@@H+]1CCCC[C@@H]2N(C(=O)c3cncc(Cc4cccc(F)c4)c3)CCC[C@@]21C ZINC000257247825 209060136 /nfs/dbraw/zinc/06/01/36/209060136.db2.gz JARWRXQXKYTYCK-UPVQGACJSA-N 1 0 395.522 4.291 40 0 GIABRO Cc1cccc(C[N@@H+]2CCC[C@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1 ZINC000257298893 209071353 /nfs/dbraw/zinc/07/13/53/209071353.db2.gz RNSHNRNBHQQBPI-IBGZPJMESA-N 1 0 381.520 4.425 40 0 GIABRO Cc1cccnc1C(=O)N1[C@@H]2CCC[C@@H]3[N@H+](C)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257319816 209075402 /nfs/dbraw/zinc/07/54/02/209075402.db2.gz VUEIGIFCFZOAMI-ZWCDFLAXSA-N 1 0 389.543 4.089 40 0 GIABRO Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)n1 ZINC000072345894 222232563 /nfs/dbraw/zinc/23/25/63/222232563.db2.gz MKYIJSUTFFPJJH-KRWDZBQOSA-N 1 0 380.442 4.384 40 0 GIABRO Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000072345947 222232669 /nfs/dbraw/zinc/23/26/69/222232669.db2.gz BMFADKRXEDICCJ-KRWDZBQOSA-N 1 0 379.895 4.154 40 0 GIABRO O=C(C[N@H+]1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1)N1CCCCC1 ZINC000072348706 222234884 /nfs/dbraw/zinc/23/48/84/222234884.db2.gz HEMPGLHWRWEBPJ-FQEVSTJZSA-N 1 0 395.522 4.003 40 0 GIABRO COc1cccc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)COC(C)C)C3)c2)c1 ZINC000072352077 222237938 /nfs/dbraw/zinc/23/79/38/222237938.db2.gz RPEMEIZHUVYQKN-SFHVURJKSA-N 1 0 397.519 4.273 40 0 GIABRO Cc1cccnc1[C@]1(O)CC[C@H]2C[N@H+](Cc3ccc(Cl)c(Cl)c3)C[C@H]21 ZINC000072392521 222248168 /nfs/dbraw/zinc/24/81/68/222248168.db2.gz WUCUNUIXRBYQCY-YRNRMSPPSA-N 1 0 377.315 4.426 40 0 GIABRO Cc1ccc(-c2cc(C[C@]3(C(=O)N(C)C)CCC[N@@H+](CC(C)C)C3)on2)cc1 ZINC000072395928 222250526 /nfs/dbraw/zinc/25/05/26/222250526.db2.gz OWYVEDDWXQWMQC-HSZRJFAPSA-N 1 0 383.536 4.019 40 0 GIABRO COc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4cnc5ccccc5c4)C3)o2)cc1 ZINC000049170088 560084126 /nfs/dbraw/zinc/08/41/26/560084126.db2.gz CLJXOTPNIWPITJ-IBGZPJMESA-N 1 0 386.455 4.283 40 0 biogenic,in-vitro GIABRO CCn1cc(C[N@@H+]2CCC[C@H](c3cccc(Nc4ncc(C)s4)n3)C2)cn1 ZINC000585262691 570229955 /nfs/dbraw/zinc/22/99/55/570229955.db2.gz SSVALAPCEBUXNI-KRWDZBQOSA-N 1 0 382.537 4.186 40 0 GIABRO CCn1ncc(C[N@@H+]2CCC[C@@H](c3cccc(Nc4ncc(C)s4)n3)C2)c1C ZINC000585262719 570230163 /nfs/dbraw/zinc/23/01/63/570230163.db2.gz XSFJNBQLONPBKG-QGZVFWFLSA-N 1 0 396.564 4.495 40 0 GIABRO Cc1cnc(Nc2cccc(C3CC[NH+](Cc4cn(C)nc4C)CC3)n2)s1 ZINC000585262624 570230947 /nfs/dbraw/zinc/23/09/47/570230947.db2.gz JWOCJDLNWZLMPR-UHFFFAOYSA-N 1 0 382.537 4.012 40 0 GIABRO Cc1cc(C)c(C)c(OC[C@]2(O)COCC[N@@H+](C3CCC(C)(C)CC3)C2)c1 ZINC000585281786 570248107 /nfs/dbraw/zinc/24/81/07/570248107.db2.gz ASUFCNUYFCGBSL-HSZRJFAPSA-N 1 0 375.553 4.023 40 0 GIABRO Cc1[nH]c2ccccc2c1[C@@H](c1cccnc1)[NH+]1CCN(c2ccccn2)CC1 ZINC000004192060 570362325 /nfs/dbraw/zinc/36/23/25/570362325.db2.gz BYCMQZJACVEHRI-XMMPIXPASA-N 1 0 383.499 4.178 40 0 GIABRO CCCC[C@H](c1nnnn1C(C)(C)C)N1CCN(c2cccc(C)c2C)CC1 ZINC000057669739 570367226 /nfs/dbraw/zinc/36/72/26/570367226.db2.gz MCTOHFHZXFENAJ-HXUWFJFHSA-N 1 0 384.572 4.098 40 0 GIABRO CC1CCN([C@H](c2nnnn2CCc2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000004847723 570412043 /nfs/dbraw/zinc/41/20/43/570412043.db2.gz WMCLCQJXJFUKEU-NRFANRHFSA-N 1 0 395.938 4.391 40 0 GIABRO COC(=O)c1cn(C(=O)C2CC[NH+](Cc3ccccc3F)CC2)c2ccccc12 ZINC000222625743 570417555 /nfs/dbraw/zinc/41/75/55/570417555.db2.gz XOAVMEHOCRAAOS-UHFFFAOYSA-N 1 0 394.446 4.119 40 0 GIABRO CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3cc[nH+]cc3)N21 ZINC000222675657 570420109 /nfs/dbraw/zinc/42/01/09/570420109.db2.gz ZGSPHXYXFCIADS-RYGJVYDSSA-N 1 0 375.501 4.247 40 0 GIABRO CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cc[nH+]cc1 ZINC000222953874 570432905 /nfs/dbraw/zinc/43/29/05/570432905.db2.gz VJNNCOVPVGRPQM-WOJBJXKFSA-N 1 0 377.517 4.040 40 0 GIABRO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1C(C)C ZINC000223221707 570450518 /nfs/dbraw/zinc/45/05/18/570450518.db2.gz DWQLRNBIXJMGOX-RTWAWAEBSA-N 1 0 399.608 4.005 40 0 GIABRO COc1ccccc1CNc1cc(-c2ccccc2)nc(NCCC[NH+](C)C)n1 ZINC000243197990 570457025 /nfs/dbraw/zinc/45/70/25/570457025.db2.gz KDGXPBVEXRQXFJ-UHFFFAOYSA-N 1 0 391.519 4.128 40 0 GIABRO C[NH+](C)CCCNc1nc(NCCc2ccccc2)cc(-c2ccccc2)n1 ZINC000244338031 570458230 /nfs/dbraw/zinc/45/82/30/570458230.db2.gz XRWHXNIJVDCPCV-UHFFFAOYSA-N 1 0 375.520 4.162 40 0 GIABRO Cc1ccccc1-n1c(SCC[NH+]2CCCCC2)nnc1-c1cccnc1 ZINC000035310886 570465983 /nfs/dbraw/zinc/46/59/83/570465983.db2.gz OAZCVCJWJJWMGR-UHFFFAOYSA-N 1 0 379.533 4.216 40 0 GIABRO O=C(NCCSC1CCCC1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000223713682 570481136 /nfs/dbraw/zinc/48/11/36/570481136.db2.gz XVCLMGHPMURNMU-UHFFFAOYSA-N 1 0 380.985 4.344 40 0 GIABRO Cc1cccc(OCCNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c1C ZINC000223951755 570491386 /nfs/dbraw/zinc/49/13/86/570491386.db2.gz GRWYOFOFRGGOLF-UHFFFAOYSA-N 1 0 380.532 4.488 40 0 GIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCOc3ccccc3Cl)cc2)C1 ZINC000224333170 570509467 /nfs/dbraw/zinc/50/94/67/570509467.db2.gz OFCDHKIKRKQCEY-QGZVFWFLSA-N 1 0 386.923 4.381 40 0 GIABRO CCn1c(COc2ccc(Cl)cc2)nnc1SCC[NH+]1CCCCC1 ZINC000000898538 570513536 /nfs/dbraw/zinc/51/35/36/570513536.db2.gz BSFXMYJHZWXSRO-UHFFFAOYSA-N 1 0 380.945 4.108 40 0 GIABRO CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224624447 570521152 /nfs/dbraw/zinc/52/11/52/570521152.db2.gz RRVQFEIARMLURY-QHCPKHFHSA-N 1 0 380.532 4.373 40 0 GIABRO CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224636270 570521490 /nfs/dbraw/zinc/52/14/90/570521490.db2.gz BQWHGXKIUFJWOQ-JOCHJYFZSA-N 1 0 380.532 4.373 40 0 GIABRO CC[C@H](Oc1cccc(C)c1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224682599 570524481 /nfs/dbraw/zinc/52/44/81/570524481.db2.gz UTJOFQBDSONXJW-QHCPKHFHSA-N 1 0 380.532 4.455 40 0 GIABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2)CC1 ZINC000225002767 570542657 /nfs/dbraw/zinc/54/26/57/570542657.db2.gz JAOWJRQSDKWBSO-UHFFFAOYSA-N 1 0 393.531 4.007 40 0 GIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(Br)ccc1Cl ZINC000225073065 570546945 /nfs/dbraw/zinc/54/69/45/570546945.db2.gz BGUAZFRSRXDFJE-AWEZNQCLSA-N 1 0 387.749 4.487 40 0 GIABRO Cc1cccc(NC(=S)N2CC[NH+](C3Cc4ccccc4C3)CC2)c1Cl ZINC000225210188 570556642 /nfs/dbraw/zinc/55/66/42/570556642.db2.gz JKYGZPJKHMMEPJ-UHFFFAOYSA-N 1 0 385.964 4.130 40 0 GIABRO O=C1CCCN1CCOc1ccccc1C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000036752994 570570313 /nfs/dbraw/zinc/57/03/13/570570313.db2.gz QEHZPHOBHKJQAO-NRFANRHFSA-N 1 0 382.479 4.164 40 0 GIABRO CC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000038857654 570588202 /nfs/dbraw/zinc/58/82/02/570588202.db2.gz BRLSGAZOWKHKTB-QGZVFWFLSA-N 1 0 385.895 4.149 40 0 GIABRO C[C@@H]1C[C@@H](C)C[NH+](CCOc2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)C1 ZINC000225590044 570591782 /nfs/dbraw/zinc/59/17/82/570591782.db2.gz WFCQXAGVPCWBLJ-CHWSQXEVSA-N 1 0 393.742 4.352 40 0 GIABRO C[C@H]1C[C@H](C)C[NH+](CCOc2ccc(NC(=O)C(C)(C)Br)cc2)C1 ZINC000225594672 570592320 /nfs/dbraw/zinc/59/23/20/570592320.db2.gz BQMPVJFUGXWTTB-GJZGRUSLSA-N 1 0 397.357 4.155 40 0 GIABRO COC1(C(=O)Nc2ccc(OCC[NH+]3CCCCCC3)cc2)CCC(C)CC1 ZINC000225640598 570597356 /nfs/dbraw/zinc/59/73/56/570597356.db2.gz MBXURILMLUQHTM-UHFFFAOYSA-N 1 0 388.552 4.475 40 0 GIABRO CCO[C@@](C)(CC)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225651234 570598207 /nfs/dbraw/zinc/59/82/07/570598207.db2.gz OMYBZCRLXJXVIW-QFIPXVFZSA-N 1 0 376.541 4.475 40 0 GIABRO CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225693299 570603987 /nfs/dbraw/zinc/60/39/87/570603987.db2.gz XNHPELLVBJZXHM-JOCHJYFZSA-N 1 0 376.541 4.475 40 0 GIABRO CCO[C@](C)(C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000225723639 570609275 /nfs/dbraw/zinc/60/92/75/570609275.db2.gz DQENGGJDUZDQRN-IXFSTUDKSA-N 1 0 388.552 4.187 40 0 GIABRO O=S(=O)(N[C@H]1CCCC[C@@H]1[N@H+]1CC=C(c2ccccc2)CC1)c1ccccc1 ZINC000006809570 570611864 /nfs/dbraw/zinc/61/18/64/570611864.db2.gz YXNCAHYSIWBSOO-GOTSBHOMSA-N 1 0 396.556 4.065 40 0 GIABRO Cc1sc2nc(C3CC3)n(C3CC[NH+](Cc4ccncc4)CC3)c(=O)c2c1C ZINC000012222929 570628620 /nfs/dbraw/zinc/62/86/20/570628620.db2.gz QBMYGDAVYOIEFF-UHFFFAOYSA-N 1 0 394.544 4.184 40 0 GIABRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)c(C)c1 ZINC000012239719 570630089 /nfs/dbraw/zinc/63/00/89/570630089.db2.gz XYXSWTGRILSBKP-LJQANCHMSA-N 1 0 385.577 4.268 40 0 GIABRO Cc1ccc([C@H](O)C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000012292174 570633415 /nfs/dbraw/zinc/63/34/15/570633415.db2.gz MUUWXTGWWOSOBV-LJQANCHMSA-N 1 0 379.422 4.031 40 0 GIABRO CCOc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000044851449 570636221 /nfs/dbraw/zinc/63/62/21/570636221.db2.gz FLEVPMZVWCBUAT-UHFFFAOYSA-N 1 0 398.522 4.185 40 0 GIABRO CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044873181 570637729 /nfs/dbraw/zinc/63/77/29/570637729.db2.gz ZYLABMQCSSRJEG-OAQYLSRUSA-N 1 0 386.923 4.410 40 0 GIABRO O=C(NCCCc1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044906473 570641956 /nfs/dbraw/zinc/64/19/56/570641956.db2.gz BQSDCLTZGGACHC-LJQANCHMSA-N 1 0 388.914 4.440 40 0 GIABRO CC1(C)C[C@@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c2ccccc2O1 ZINC000044918286 570643342 /nfs/dbraw/zinc/64/33/42/570643342.db2.gz BFGXPLDWHHYHQE-WIYYLYMNSA-N 1 0 396.506 4.456 40 0 GIABRO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@H+](CC2CCCCC2)C1)c1ccccn1 ZINC000012365837 570646522 /nfs/dbraw/zinc/64/65/22/570646522.db2.gz HSQJPNPEKMMZCD-UYAOXDASSA-N 1 0 398.576 4.302 40 0 GIABRO CCCOC(C)(C)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260816716 570707205 /nfs/dbraw/zinc/70/72/05/570707205.db2.gz NRFFGURMNBAPNY-GOSISDBHSA-N 1 0 376.541 4.474 40 0 GIABRO CCO[C@](C)(C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000260814601 570707935 /nfs/dbraw/zinc/70/79/35/570707935.db2.gz LGMVHJPGLDJGPJ-JPYJTQIMSA-N 1 0 388.552 4.474 40 0 GIABRO CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260816894 570708529 /nfs/dbraw/zinc/70/85/29/570708529.db2.gz RRLNRSHAVANTEW-GCJKJVERSA-N 1 0 376.541 4.330 40 0 GIABRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CCc2cccc(Br)c2)C1 ZINC000089212704 570747788 /nfs/dbraw/zinc/74/77/88/570747788.db2.gz CSHJYYSHANKJGI-INIZCTEOSA-N 1 0 397.357 4.228 40 0 GIABRO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000013613675 570762856 /nfs/dbraw/zinc/76/28/56/570762856.db2.gz ONCQWUVHKKALEN-HNNXBMFYSA-N 1 0 393.380 4.067 40 0 GIABRO COc1ccc(CC[N@H+](Cc2ccncc2)Cc2ccc(F)cc2)cc1OC ZINC000013989460 570868158 /nfs/dbraw/zinc/86/81/58/570868158.db2.gz LXGKPNSMEBUAMD-UHFFFAOYSA-N 1 0 380.463 4.483 40 0 GIABRO CCOc1cc(CN(Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)ccc1O ZINC000013992661 570868718 /nfs/dbraw/zinc/86/87/18/570868718.db2.gz WFYZCJMJERXGGJ-UHFFFAOYSA-N 1 0 397.563 4.497 40 0 GIABRO O=C(CN1CCC[C@H]1c1cccc(Cc2ccccc2)n1)NC1CCCCC1 ZINC000072357691 570881386 /nfs/dbraw/zinc/88/13/86/570881386.db2.gz MBHVNFKSCKRBST-QHCPKHFHSA-N 1 0 377.532 4.258 40 0 GIABRO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3C[C@@H]3CCCO3)CC2)cc1 ZINC000585099839 570925876 /nfs/dbraw/zinc/92/58/76/570925876.db2.gz GJLMEKIAPBEFDX-UPVQGACJSA-N 1 0 384.564 4.336 40 0 GIABRO O[C@@]12CCCC[C@@H]1[C@H](c1ccc3c(c1)OCO3)[N@H+](Cc1cccc(F)c1)CC2 ZINC000004301877 570971339 /nfs/dbraw/zinc/97/13/39/570971339.db2.gz ORZUIMGMXAQGPX-WTIAFYNJSA-N 1 0 383.463 4.423 40 0 GIABRO CNC(=O)C1(Cc2ccccc2-c2cccnc2)CC[NH+](Cc2ccccc2)CC1 ZINC000019700171 818599889 /nfs/dbraw/zinc/59/98/89/818599889.db2.gz ISCOSGYBOROIDO-UHFFFAOYSA-N 1 0 399.538 4.320 40 0 GIABRO O=C(CN1CCCC1)Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccccc1 ZINC000011691993 206226750 /nfs/dbraw/zinc/22/67/50/206226750.db2.gz HJKMEWZBLHSAAO-UHFFFAOYSA-N 1 0 382.847 4.148 40 0 GIABRO CC[C@@H](C)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(C)[nH+]1 ZINC000329069114 206243704 /nfs/dbraw/zinc/24/37/04/206243704.db2.gz YVIJRUAKCTZBEF-GFCCVEGCSA-N 1 0 380.414 4.457 40 0 GIABRO CC(C)Nc1nc(N2CCc3ccc(Br)cc3C2)cc(C(C)C)[nH+]1 ZINC000329029758 206240399 /nfs/dbraw/zinc/24/03/99/206240399.db2.gz QAYFUPNHRLSHAU-UHFFFAOYSA-N 1 0 389.341 4.167 40 0 GIABRO CC(C)c1nc(N2Cc3ccccc3C(C)(C)C2)cc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000329041230 206242324 /nfs/dbraw/zinc/24/23/24/206242324.db2.gz SGRHNGDHBSSHSV-IBGZPJMESA-N 1 0 382.552 4.327 40 0 GIABRO Cc1cc(Nc2cc(-c3ccncc3)nc(NCC[NH+](C)C)n2)ccc1C(C)C ZINC000329047058 206242686 /nfs/dbraw/zinc/24/26/86/206242686.db2.gz UEIGRNJHAZXKHK-UHFFFAOYSA-N 1 0 390.535 4.109 40 0 GIABRO Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000035316547 206263184 /nfs/dbraw/zinc/26/31/84/206263184.db2.gz KLMMVODPVDZGTN-OAQYLSRUSA-N 1 0 381.495 4.194 40 0 GIABRO CCn1c[n+](C[C@@H](O)COc2ccc3ccccc3c2)c2cc(C)c(C)cc21 ZINC000000781053 206320861 /nfs/dbraw/zinc/32/08/61/206320861.db2.gz ZBTHHBSTUIPYPC-OAQYLSRUSA-N 1 0 375.492 4.159 40 0 GIABRO Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(Cc4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000015084323 207047629 /nfs/dbraw/zinc/04/76/29/207047629.db2.gz SWOSSXSWZTTXNW-OAQYLSRUSA-N 1 0 396.918 4.235 40 0 GIABRO CC(C)(C)[C@@H]1CCc2onc(C(=O)N3CCCC[C@@H]3CC[NH+]3CCCC3)c2C1 ZINC000019082416 207103210 /nfs/dbraw/zinc/10/32/10/207103210.db2.gz VOYVVTFATHRADG-QZTJIDSGSA-N 1 0 387.568 4.306 40 0 GIABRO CC(C)(C)[C@H]1CCc2onc(C(=O)N3CCCC[C@H]3CC[NH+]3CCCC3)c2C1 ZINC000019082423 207103518 /nfs/dbraw/zinc/10/35/18/207103518.db2.gz VOYVVTFATHRADG-ROUUACIJSA-N 1 0 387.568 4.306 40 0 GIABRO O=C(C[C@H]([NH2+]Cc1ccncc1)c1ccccc1)c1cc2ccccc2oc1=O ZINC000019203776 207105828 /nfs/dbraw/zinc/10/58/28/207105828.db2.gz UZAFKACNMYZMGO-NRFANRHFSA-N 1 0 384.435 4.292 40 0 GIABRO Cc1ccsc1C[N@H+](CCCN1CCOCC1)Cc1cccc2cccnc21 ZINC000019238583 207111573 /nfs/dbraw/zinc/11/15/73/207111573.db2.gz BEGTZDUCTOVSBG-UHFFFAOYSA-N 1 0 395.572 4.329 40 0 GIABRO Cc1ccsc1C[N@H+](CCCN1CCOCC1)Cc1ccc(F)cc1F ZINC000019238574 207110742 /nfs/dbraw/zinc/11/07/42/207110742.db2.gz NBDTXQLNVNTERG-UHFFFAOYSA-N 1 0 380.504 4.059 40 0 GIABRO CCC(=O)N1CCC[C@@H](c2[nH]c3ncccc3c2C[N@H+](C)Cc2ccccc2)C1 ZINC000019498691 207124820 /nfs/dbraw/zinc/12/48/20/207124820.db2.gz WAYYMRICDSPSIJ-LJQANCHMSA-N 1 0 390.531 4.311 40 0 GIABRO CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3C[C@@H]3CCOC3)cc2n1 ZINC000019452356 207122422 /nfs/dbraw/zinc/12/24/22/207122422.db2.gz ZZYHCDATKVHXQA-BBRMVZONSA-N 1 0 382.430 4.045 40 0 GIABRO Cc1ncsc1-c1nnc([C@@H]2CCC[N@H+](Cc3ccc4ccccc4n3)C2)o1 ZINC000019562789 207134463 /nfs/dbraw/zinc/13/44/63/207134463.db2.gz WQYFEXMOGTXLQR-MRXNPFEDSA-N 1 0 391.500 4.429 40 0 GIABRO CNc1ncccc1C[NH+]1CCC(c2cc(C(F)F)c3c(C)noc3n2)CC1 ZINC000019565094 207136158 /nfs/dbraw/zinc/13/61/58/207136158.db2.gz IDTNMJKLTYCCHL-UHFFFAOYSA-N 1 0 387.434 4.285 40 0 GIABRO Cc1c2ccccc2oc1C[N@@H+]1C[C@@H](c2ccccn2)[C@]2(C1)CCCCC(=O)N2 ZINC000019566412 207136878 /nfs/dbraw/zinc/13/68/78/207136878.db2.gz UMPLXYDAILFZPY-YADARESESA-N 1 0 389.499 4.165 40 0 GIABRO Cc1c(C(=O)Nc2ccc(OCC[NH+]3CCCC3)cc2)n[nH]c1-c1cccs1 ZINC000019555165 207132577 /nfs/dbraw/zinc/13/25/77/207132577.db2.gz SYCCOHHZXJIZNN-UHFFFAOYSA-N 1 0 396.516 4.174 40 0 GIABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cc(C(=O)NC4CCCCC4)on3)C2)cc1 ZINC000019555164 207132807 /nfs/dbraw/zinc/13/28/07/207132807.db2.gz GRHBTZFMFVRTMC-GOSISDBHSA-N 1 0 397.519 4.125 40 0 GIABRO Cc1cc(Cc2ccc(F)cc2)cc(C2CC[NH+](Cc3ccnn3C)CC2)n1 ZINC000019691660 207148898 /nfs/dbraw/zinc/14/88/98/207148898.db2.gz FWGGFUUSJOHSIC-UHFFFAOYSA-N 1 0 378.495 4.233 40 0 GIABRO C[N@@H+]1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)CCCc1ccc(F)cc1 ZINC000019589214 207142025 /nfs/dbraw/zinc/14/20/25/207142025.db2.gz PUCQZGACFARBQL-CQOQZXRMSA-N 1 0 398.497 4.376 40 0 GIABRO COc1ccc(OC[C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000020451653 207192566 /nfs/dbraw/zinc/19/25/66/207192566.db2.gz SEGWARJBIPNQCT-RTBURBONSA-N 1 0 396.531 4.124 40 0 GIABRO CC1CC[NH+](Cc2ccc(C(=O)NCc3ccccc3-n3ccnc3)cc2)CC1 ZINC000022522020 207254832 /nfs/dbraw/zinc/25/48/32/207254832.db2.gz AFLHBFPQOKGVJQ-UHFFFAOYSA-N 1 0 388.515 4.034 40 0 GIABRO O=C(CN1CC[NH+](C2CCCCC2)CC1)Nc1ccccc1-c1ccccc1 ZINC000022574819 207257380 /nfs/dbraw/zinc/25/73/80/207257380.db2.gz TVUNZKVSFCPHNE-UHFFFAOYSA-N 1 0 377.532 4.242 40 0 GIABRO CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000030866271 207374935 /nfs/dbraw/zinc/37/49/35/207374935.db2.gz UIQWFEHYMMBADH-YYDVJCTNSA-N 1 0 382.548 4.481 40 0 GIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCCN3CCc4ccccc43)cc2)C1 ZINC000030862485 207375468 /nfs/dbraw/zinc/37/54/68/207375468.db2.gz LPZQWJMJRLLKFN-FQEVSTJZSA-N 1 0 391.559 4.101 40 0 GIABRO C[N@@H+]1CCC[C@H](c2cccc(CC3(C(=O)NC4CCCCC4)CCOCC3)c2)C1 ZINC000072372247 208005953 /nfs/dbraw/zinc/00/59/53/208005953.db2.gz ARMOZYVENJUXCO-QFIPXVFZSA-N 1 0 398.591 4.284 40 0 GIABRO Cc1c(C[N@@H+]2CCC[C@H](c3cc(Nc4ncccc4C)cc(C)n3)C2)cnn1C ZINC000072374948 208007461 /nfs/dbraw/zinc/00/74/61/208007461.db2.gz JIVPRNKSQXRSCK-IBGZPJMESA-N 1 0 390.535 4.259 40 0 GIABRO Clc1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 ZINC000072377609 208008222 /nfs/dbraw/zinc/00/82/22/208008222.db2.gz MKDVYAXYKMMTSF-MRXNPFEDSA-N 1 0 380.883 4.043 40 0 GIABRO CCn1ccc(-c2cc(NC[C@H](c3ccccc3Cl)[NH+](C)C)nc(C)n2)n1 ZINC000072373355 208009235 /nfs/dbraw/zinc/00/92/35/208009235.db2.gz ZNPOQXSQEDEUJC-LJQANCHMSA-N 1 0 384.915 4.037 40 0 GIABRO Cc1cc(C(F)(F)F)n2nc([C@H]3CC[N@H+](Cc4ccc(F)cc4)C3)cc2n1 ZINC000072397152 208013687 /nfs/dbraw/zinc/01/36/87/208013687.db2.gz LMDOVUYHDLEJNF-AWEZNQCLSA-N 1 0 378.373 4.185 40 0 GIABRO Cc1ccc(C[NH+]2CCC3(CC2)c2ncc(-c4cccc(F)c4)n2CCN3C)o1 ZINC000096036964 208255646 /nfs/dbraw/zinc/25/56/46/208255646.db2.gz YINOSZOGRIZCJJ-UHFFFAOYSA-N 1 0 394.494 4.027 40 0 GIABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3nccs3)CC2)c2ccccc21)NC1CCC1 ZINC000096052749 208256064 /nfs/dbraw/zinc/25/60/64/208256064.db2.gz BIHUWUZGNPYNAC-QGZVFWFLSA-N 1 0 395.572 4.223 40 0 GIABRO COc1cccc(-c2ccc3nc(C4CC[NH+](Cc5ccoc5)CC4)nn3c2)c1 ZINC000096038219 208256434 /nfs/dbraw/zinc/25/64/34/208256434.db2.gz VAMXGJBTOXFCJM-UHFFFAOYSA-N 1 0 388.471 4.378 40 0 GIABRO Cc1ccc(C[NH+]2CCC3(C[C@H](CC(=O)NC4CC4)c4ccccc43)CC2)o1 ZINC000096052979 208257699 /nfs/dbraw/zinc/25/76/99/208257699.db2.gz FINCLUIYFNHMPE-SFHVURJKSA-N 1 0 378.516 4.278 40 0 GIABRO CCN(CC)C(=O)C[C@H]1CC2(CC[NH+](Cc3nccs3)CC2)c2ccccc21 ZINC000096053036 208258229 /nfs/dbraw/zinc/25/82/29/208258229.db2.gz WEMGSZPFDJBKNG-SFHVURJKSA-N 1 0 397.588 4.423 40 0 GIABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](CC(=O)NC4CC4)c4ccccc43)CC2)o1 ZINC000096052980 208258876 /nfs/dbraw/zinc/25/88/76/208258876.db2.gz FINCLUIYFNHMPE-GOSISDBHSA-N 1 0 378.516 4.278 40 0 GIABRO Cn1cnc2c1cc(C1CC[NH+](Cc3ccccn3)CC1)nc2-c1ccccc1 ZINC000096099931 208264420 /nfs/dbraw/zinc/26/44/20/208264420.db2.gz RHFAQTDNOWXJKZ-UHFFFAOYSA-N 1 0 383.499 4.410 40 0 GIABRO Fc1cc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2nccs2)C3)ccc1Cl ZINC000096215817 208285677 /nfs/dbraw/zinc/28/56/77/208285677.db2.gz CIBIABHPONNAQE-LJQANCHMSA-N 1 0 379.932 4.424 40 0 GIABRO C[NH2+]C[C@H]1CC[C@H](c2cc(CN(C)Cc3cccc(OC(C)C)c3)n(C)n2)CC1 ZINC000100687671 208379352 /nfs/dbraw/zinc/37/93/52/208379352.db2.gz IGGUFZXFNYXCNZ-TYKWCNGQSA-N 1 0 398.595 4.333 40 0 GIABRO COc1ccc2oc(C(=O)N[C@@H](c3ccccn3)[C@H]3CC[C@H](C[NH3+])CC3)cc2c1 ZINC000100750256 208381750 /nfs/dbraw/zinc/38/17/50/208381750.db2.gz CTPLEIBUVGDGCS-ZMPRRUGASA-N 1 0 393.487 4.073 40 0 GIABRO c1csc(-c2ccc3nnc(C4CC[NH+](Cc5ccsc5)CC4)n3n2)c1 ZINC000306138261 209104094 /nfs/dbraw/zinc/10/40/94/209104094.db2.gz RTQHUEZHBHPVJS-UHFFFAOYSA-N 1 0 381.530 4.294 40 0 GIABRO Fc1cccc(-c2ccc3nc([C@@H]4CCC[N@H+](Cc5ccncc5)C4)nn3c2)c1 ZINC000306136671 209104242 /nfs/dbraw/zinc/10/42/42/209104242.db2.gz PZMRNTWOBAQDFQ-HXUWFJFHSA-N 1 0 387.462 4.310 40 0 GIABRO CC[NH+](CC)CCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1 ZINC000225636042 208964801 /nfs/dbraw/zinc/96/48/01/208964801.db2.gz UDJAVDJVRSJICG-XMSQKQJNSA-N 1 0 376.541 4.331 40 0 GIABRO Cc1ccc(-c2cn3c(n2)CO[C@@H](C[NH2+]Cc2cn(C)c4ccccc24)C3)cc1 ZINC000096296314 209014567 /nfs/dbraw/zinc/01/45/67/209014567.db2.gz LKWNXPFJYWAESY-FQEVSTJZSA-N 1 0 386.499 4.039 40 0 biogenic,in-vitro GIABRO Cc1cccc(C[N@@H+]2CCC[C@@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1 ZINC000257298894 209070089 /nfs/dbraw/zinc/07/00/89/209070089.db2.gz RNSHNRNBHQQBPI-LJQANCHMSA-N 1 0 381.520 4.425 40 0 GIABRO Cc1noc(C)c1-c1cnc(C[C@H]2CC[N@H+](Cc3ccc4cc[nH]c4c3)C2)cn1 ZINC000257298948 209070204 /nfs/dbraw/zinc/07/02/04/209070204.db2.gz ROAJKCBDMRFQIF-GOSISDBHSA-N 1 0 387.487 4.294 40 0 GIABRO COc1cccc(C[NH+]2CCC3(CC2)Oc2c(O)cccc2[C@H]2OCCC[C@@H]23)c1 ZINC000257306263 209072948 /nfs/dbraw/zinc/07/29/48/209072948.db2.gz STMYVEGOUMTPRX-RBBKRZOGSA-N 1 0 395.499 4.296 40 0 GIABRO COc1ccc2nc(Cl)c(C[NH2+]C[C@@H]3CCCO3)c(N3CCCCC3)c2c1 ZINC000005017409 136194461 /nfs/dbraw/zinc/19/44/61/136194461.db2.gz JBHPYWPYBQJJEV-INIZCTEOSA-N 1 0 389.927 4.156 40 0 GIABRO C[N@@H+]1CCCC[C@@H]2N(C(=O)c3cc(-c4ccccc4Cl)no3)CCC[C@@]21C ZINC000257327574 209076950 /nfs/dbraw/zinc/07/69/50/209076950.db2.gz XBWXGKJYVRMXBW-FPOVZHCZSA-N 1 0 387.911 4.474 40 0 GIABRO COc1ccc(Nc2cc(C)nc([C@H]3CC[N@H+](Cc4cn(C)nc4C)C3)c2)cc1 ZINC000257334421 209078522 /nfs/dbraw/zinc/07/85/22/209078522.db2.gz YFUJNHOMALXAQE-SFHVURJKSA-N 1 0 391.519 4.174 40 0 GIABRO Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000072345946 222232941 /nfs/dbraw/zinc/23/29/41/222232941.db2.gz BMFADKRXEDICCJ-QGZVFWFLSA-N 1 0 379.895 4.154 40 0 GIABRO CC(=O)Nc1ccc(C[NH+]2CCC(n3c(=O)oc4ccc(Cl)cc43)CC2)cc1 ZINC000072347903 222234817 /nfs/dbraw/zinc/23/48/17/222234817.db2.gz WVJBXKWBQMIMIW-UHFFFAOYSA-N 1 0 399.878 4.043 40 0 GIABRO CC(=O)N1CCC([N@@H+]2CCC[C@H](c3cccc(-c4cccc(F)c4)n3)C2)CC1 ZINC000072350189 222236275 /nfs/dbraw/zinc/23/62/75/222236275.db2.gz CWULNVYRYMRTQC-IBGZPJMESA-N 1 0 381.495 4.078 40 0 GIABRO CC(=O)N1CCC([NH+]2CCC(c3cccc(Cc4cccc(F)c4)n3)CC2)CC1 ZINC000072350206 222236531 /nfs/dbraw/zinc/23/65/31/222236531.db2.gz BMSFTQFFMGDLES-UHFFFAOYSA-N 1 0 395.522 4.002 40 0 GIABRO CCn1ccnc1C[N@@H+]1CCC[C@@H](c2cccc(-c3ccc(OC)cc3)n2)C1 ZINC000072350282 222236559 /nfs/dbraw/zinc/23/65/59/222236559.db2.gz JPDMCXVMHJAWHT-LJQANCHMSA-N 1 0 376.504 4.353 40 0 GIABRO CCNC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@@H+](C2CCCC2)C1 ZINC000072395918 222250462 /nfs/dbraw/zinc/25/04/62/222250462.db2.gz RHJVZYPXSYYEAC-DEOSSOPVSA-N 1 0 395.547 4.353 40 0 GIABRO CC1=C[C@@H](C[NH+]2CCC(O)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 ZINC000030883559 517524565 /nfs/dbraw/zinc/52/45/65/517524565.db2.gz WOJQKANMTTXFGZ-BJLQDIEVSA-N 1 0 389.584 4.221 40 0 biogenic,in-vitro GIABRO CC(C)Oc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000039745742 528148219 /nfs/dbraw/zinc/14/82/19/528148219.db2.gz OLKYWRFQUUBNTK-UHFFFAOYSA-N 1 0 394.559 4.435 40 0 GIABRO C[C@@]1(O)CC[N@H+](CC2CCCC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000514289899 560031370 /nfs/dbraw/zinc/03/13/70/560031370.db2.gz MEPYLRBUXVERPE-WPFOTENUSA-N 1 0 384.564 4.050 40 0 biogenic,in-vitro GIABRO COc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4cn(C)c5ccccc45)C3)o2)cc1 ZINC000049170160 560084654 /nfs/dbraw/zinc/08/46/54/560084654.db2.gz XOLPQWCMSNWGBL-KRWDZBQOSA-N 1 0 388.471 4.226 40 0 biogenic,in-vitro GIABRO CC1=C[C@@H](C[NH+]2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 ZINC000030882824 560089660 /nfs/dbraw/zinc/08/96/60/560089660.db2.gz ZBKPTGUQCREXBY-FKBYEOEOSA-N 1 0 395.547 4.466 40 0 biogenic,in-vitro GIABRO Cc1ccccc1OC[C@@]1(O)COCC[N@@H+]([C@H]2CC[C@H](c3ccccc3)CC2)C1 ZINC000585286675 570255590 /nfs/dbraw/zinc/25/55/90/570255590.db2.gz HORKSCRRVYRWPX-LSQMVHIFSA-N 1 0 395.543 4.164 40 0 GIABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216421 570317548 /nfs/dbraw/zinc/31/75/48/570317548.db2.gz IVYZDIOKVSMFRW-IBGZPJMESA-N 1 0 388.556 4.076 40 0 GIABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cncc(-c4ccc(CO)cc4)n3)C2)cc1 ZINC000072359294 570339777 /nfs/dbraw/zinc/33/97/77/570339777.db2.gz KDBCUGBDQPDWBA-OAQYLSRUSA-N 1 0 389.499 4.024 40 0 GIABRO Cc1[nH]c2ccccc2c1[C@H](c1cccnc1)[NH+]1CCN(c2ccccn2)CC1 ZINC000004192061 570362280 /nfs/dbraw/zinc/36/22/80/570362280.db2.gz BYCMQZJACVEHRI-DEOSSOPVSA-N 1 0 383.499 4.178 40 0 GIABRO COc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)N(C(C)C)C(C)C)C3)cc1 ZINC000004887965 570415660 /nfs/dbraw/zinc/41/56/60/570415660.db2.gz VPGKDENRYGEAAF-SEJPIABJSA-N 1 0 387.568 4.409 40 0 GIABRO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000222669016 570419517 /nfs/dbraw/zinc/41/95/17/570419517.db2.gz HITIBPBPAIVLAT-FQEVSTJZSA-N 1 0 394.559 4.450 40 0 GIABRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000222704821 570421298 /nfs/dbraw/zinc/42/12/98/570421298.db2.gz SUFAUDLRFHVIEM-GOSISDBHSA-N 1 0 394.515 4.181 40 0 GIABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCc2cccc(OC(C)C)c2)CC1 ZINC000039762788 570446197 /nfs/dbraw/zinc/44/61/97/570446197.db2.gz KVNAYPCGNDICDJ-UHFFFAOYSA-N 1 0 380.532 4.311 40 0 GIABRO COc1ccccc1C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccccc1F)C2 ZINC000035289811 570455658 /nfs/dbraw/zinc/45/56/58/570455658.db2.gz BTNFOFOUMKTVOJ-YQQQUEKLSA-N 1 0 382.479 4.150 40 0 GIABRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000006462777 570480753 /nfs/dbraw/zinc/48/07/53/570480753.db2.gz OBUYFDJCBLJXAE-UHFFFAOYSA-N 1 0 388.899 4.056 40 0 GIABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCOc3cccc(C)c3C)CC2)cc1 ZINC000223948344 570491332 /nfs/dbraw/zinc/49/13/32/570491332.db2.gz UZXVQVXMXJVEJH-UHFFFAOYSA-N 1 0 380.532 4.019 40 0 GIABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCOc2ccccc2Cl)CC1 ZINC000224526401 570516373 /nfs/dbraw/zinc/51/63/73/570516373.db2.gz FONMSAQBUDHEQO-UHFFFAOYSA-N 1 0 386.923 4.056 40 0 GIABRO Cc1ccccc1OCCNC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000224534498 570517117 /nfs/dbraw/zinc/51/71/17/570517117.db2.gz PNKRXYSFORGITN-UHFFFAOYSA-N 1 0 386.923 4.056 40 0 GIABRO O=C(CCCOc1ccc(Cl)cc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224614495 570520499 /nfs/dbraw/zinc/52/04/99/570520499.db2.gz KFGFYAJOCFXREP-UHFFFAOYSA-N 1 0 386.923 4.411 40 0 GIABRO C[C@H](Oc1ccccc1Cl)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224676969 570523863 /nfs/dbraw/zinc/52/38/63/570523863.db2.gz XINQRKNUXHDIEK-KRWDZBQOSA-N 1 0 386.923 4.410 40 0 GIABRO Cc1cc(OCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)ccc1Cl ZINC000224675477 570523865 /nfs/dbraw/zinc/52/38/65/570523865.db2.gz DDLLJLSQCNTZJL-UHFFFAOYSA-N 1 0 386.923 4.330 40 0 GIABRO Cc1cccc(O[C@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1C ZINC000224682363 570524232 /nfs/dbraw/zinc/52/42/32/570524232.db2.gz CZNHUGKYDWLNDX-HXUWFJFHSA-N 1 0 380.532 4.373 40 0 GIABRO Cc1cc(OCC(=O)NCc2ccccc2C[NH+]2CCCC2)cc(C)c1Cl ZINC000224782142 570530362 /nfs/dbraw/zinc/53/03/62/570530362.db2.gz WVEXQSMYSBBTMF-UHFFFAOYSA-N 1 0 386.923 4.248 40 0 GIABRO Cc1cc(C)c(C)c(OCC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000224831447 570532814 /nfs/dbraw/zinc/53/28/14/570532814.db2.gz GADWLXMEVOAWMV-UHFFFAOYSA-N 1 0 380.532 4.293 40 0 GIABRO FC(F)(F)c1ccc(NC(=S)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000225232557 570557960 /nfs/dbraw/zinc/55/79/60/570557960.db2.gz MGPBPEQYQFVQPO-UHFFFAOYSA-N 1 0 394.466 4.051 40 0 GIABRO Cc1noc(C)c1CCC(=O)Nc1ccc(CC[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000036734971 570568636 /nfs/dbraw/zinc/56/86/36/570568636.db2.gz GXMKKOPDYDOBIS-OXJNMPFZSA-N 1 0 383.536 4.383 40 0 GIABRO COc1ccc(CN(Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000036740545 570569542 /nfs/dbraw/zinc/56/95/42/570569542.db2.gz OLEFKGJKIANDSC-UHFFFAOYSA-N 1 0 397.563 4.410 40 0 GIABRO COc1ccc(C(=O)N(CC[NH+]2CCCCC2)c2nc3ccccc3s2)cc1 ZINC000001338338 570570218 /nfs/dbraw/zinc/57/02/18/570570218.db2.gz APHUWGHKNZNNSW-UHFFFAOYSA-N 1 0 395.528 4.438 40 0 GIABRO O=C(NCCSc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038836480 570586852 /nfs/dbraw/zinc/58/68/52/570586852.db2.gz CUTUEUVPDWELPQ-GOSISDBHSA-N 1 0 388.964 4.461 40 0 GIABRO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1Cl ZINC000038850231 570587836 /nfs/dbraw/zinc/58/78/36/570587836.db2.gz WDUOGECFOXORQP-OAHLLOKOSA-N 1 0 376.859 4.338 40 0 GIABRO CCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225612297 570593846 /nfs/dbraw/zinc/59/38/46/570593846.db2.gz ZRVDVKUEHNTDAX-JOCHJYFZSA-N 1 0 376.541 4.475 40 0 GIABRO CCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225612177 570593941 /nfs/dbraw/zinc/59/39/41/570593941.db2.gz KCPIHDVEVSANOG-XMSQKQJNSA-N 1 0 376.541 4.331 40 0 GIABRO CCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000225612141 570593951 /nfs/dbraw/zinc/59/39/51/570593951.db2.gz FLFCESIKEJIDHC-QFIPXVFZSA-N 1 0 376.541 4.331 40 0 GIABRO CO[C@@]1(C(=O)Nc2ccc(OCC[NH+]3CCCCCC3)cc2)CCC[C@@H](C)C1 ZINC000225635759 570596690 /nfs/dbraw/zinc/59/66/90/570596690.db2.gz DFDOHNHZJXGLHW-XXBNENTESA-N 1 0 388.552 4.475 40 0 GIABRO CCO[C@@](C)(CC)C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225650564 570597973 /nfs/dbraw/zinc/59/79/73/570597973.db2.gz NNCSGOJPVSIHBG-HMFYCAOWSA-N 1 0 376.541 4.187 40 0 GIABRO CCCOC1(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CCC(C)CC1 ZINC000225668930 570600627 /nfs/dbraw/zinc/60/06/27/570600627.db2.gz RUYXXRBBICEUDK-UHFFFAOYSA-N 1 0 376.541 4.331 40 0 GIABRO CCOC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCCC1 ZINC000225707162 570606617 /nfs/dbraw/zinc/60/66/17/570606617.db2.gz RREPQCCBYSDEPQ-LJQANCHMSA-N 1 0 388.552 4.475 40 0 GIABRO CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225730342 570610290 /nfs/dbraw/zinc/61/02/90/570610290.db2.gz WLHJDKTUBYZWRR-GCJKJVERSA-N 1 0 376.541 4.331 40 0 GIABRO FC(F)(F)c1ccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000225743227 570612102 /nfs/dbraw/zinc/61/21/02/570612102.db2.gz HXLAPOPLBTVECB-UHFFFAOYSA-N 1 0 393.478 4.440 40 0 GIABRO Cc1noc(C)c1CCC(=O)Nc1ccc(CC[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000012144915 570616013 /nfs/dbraw/zinc/61/60/13/570616013.db2.gz GXMKKOPDYDOBIS-JXFKEZNVSA-N 1 0 383.536 4.383 40 0 GIABRO CCCSc1nnc(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)s1 ZINC000225786211 570617318 /nfs/dbraw/zinc/61/73/18/570617318.db2.gz LWIXWJBSQPJJTP-UHFFFAOYSA-N 1 0 390.578 4.199 40 0 GIABRO Cc1nc2ccc(C(=O)NC3CC[NH+](Cc4cccc(F)c4)CC3)cc2s1 ZINC000012201777 570625065 /nfs/dbraw/zinc/62/50/65/570625065.db2.gz CNRJJTLJSLGKLG-UHFFFAOYSA-N 1 0 383.492 4.138 40 0 GIABRO OC1(c2ccc(F)cc2)CC[NH+](Cc2ccccc2OCc2cccnc2)CC1 ZINC000012240704 570629949 /nfs/dbraw/zinc/62/99/49/570629949.db2.gz VLEUIZYEVHLRFT-UHFFFAOYSA-N 1 0 392.474 4.283 40 0 GIABRO Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000044852664 570636137 /nfs/dbraw/zinc/63/61/37/570636137.db2.gz FBJAGSYWWFKKFS-FQEVSTJZSA-N 1 0 380.532 4.424 40 0 GIABRO Cc1ccc(OC[C@@H](C)NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000044852855 570636249 /nfs/dbraw/zinc/63/62/49/570636249.db2.gz WTRFPUKJOYYXRH-HXUWFJFHSA-N 1 0 380.532 4.099 40 0 GIABRO Cc1ccc(OC[C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000044852851 570636251 /nfs/dbraw/zinc/63/62/51/570636251.db2.gz YTMTYEVXBQAQIA-HXUWFJFHSA-N 1 0 380.532 4.099 40 0 GIABRO CCc1ccccc1O[C@H](C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875271 570637725 /nfs/dbraw/zinc/63/77/25/570637725.db2.gz LVYHODHNTARQEQ-LJQANCHMSA-N 1 0 380.532 4.319 40 0 GIABRO Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c(C)c1 ZINC000044875431 570638133 /nfs/dbraw/zinc/63/81/33/570638133.db2.gz UJKAXBIQMCQVAT-FQEVSTJZSA-N 1 0 380.532 4.373 40 0 GIABRO Cc1ccc(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c(C)c1 ZINC000044875434 570638148 /nfs/dbraw/zinc/63/81/48/570638148.db2.gz UJKAXBIQMCQVAT-HXUWFJFHSA-N 1 0 380.532 4.373 40 0 GIABRO O=C(NCCCc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044906377 570641643 /nfs/dbraw/zinc/64/16/43/570641643.db2.gz PEHHMIKDWBKWFE-LJQANCHMSA-N 1 0 388.914 4.440 40 0 GIABRO CCOc1cccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000044919692 570643414 /nfs/dbraw/zinc/64/34/14/570643414.db2.gz HYQMIBFHXGEKOX-LJQANCHMSA-N 1 0 386.923 4.267 40 0 GIABRO CCOCc1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)ccc1OC ZINC000012329007 570643570 /nfs/dbraw/zinc/64/35/70/570643570.db2.gz QFWGDRZJKSYXES-RIKCKFAHSA-N 1 0 399.506 4.385 40 0 GIABRO CC[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc(OC)cc1 ZINC000044936225 570644265 /nfs/dbraw/zinc/64/42/65/570644265.db2.gz ARYQIIRDHCXNGX-KNQAVFIVSA-N 1 0 384.495 4.314 40 0 GIABRO CC[NH+](CC)CCNc1c2c(nc3cc(-c4cccc(F)c4)nn31)CCCC2 ZINC000004980722 570655992 /nfs/dbraw/zinc/65/59/92/570655992.db2.gz GWINIZPUZQRYKW-UHFFFAOYSA-N 1 0 381.499 4.168 40 0 GIABRO CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260812547 570707253 /nfs/dbraw/zinc/70/72/53/570707253.db2.gz GCEOQXRIPTXWPQ-PGRDOPGGSA-N 1 0 376.541 4.187 40 0 GIABRO CCC[C@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000260814519 570707672 /nfs/dbraw/zinc/70/76/72/570707672.db2.gz KFEQPNZZPGPXTK-SPEDKVCISA-N 1 0 376.541 4.187 40 0 GIABRO CCO[C@](C)(CC)C(=O)Nc1ccc(OCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000260814777 570707713 /nfs/dbraw/zinc/70/77/13/570707713.db2.gz NNCSGOJPVSIHBG-NPPFBWRTSA-N 1 0 376.541 4.187 40 0 GIABRO CCCO[C@@](C)(C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000260814466 570707759 /nfs/dbraw/zinc/70/77/59/570707759.db2.gz ISRBTBSKIKDXRL-FDDCHVKYSA-N 1 0 388.552 4.331 40 0 GIABRO O=S(=O)(NC[C@H]([NH2+]C1CCCCC1)c1ccccc1)c1ccc(Cl)cc1 ZINC000059121218 570736942 /nfs/dbraw/zinc/73/69/42/570736942.db2.gz QUHNGUBOKUKNFI-FQEVSTJZSA-N 1 0 392.952 4.282 40 0 GIABRO Cc1noc(C)c1-c1cc(C[C@@H]2CC[N@H+](Cc3ccc4cc[nH]c4c3)C2)ncn1 ZINC000257230447 570765102 /nfs/dbraw/zinc/76/51/02/570765102.db2.gz GCJNRSZUBQRUKN-SFHVURJKSA-N 1 0 387.487 4.294 40 0 GIABRO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCC[N@@H+]2CCc2ccc(F)cc2)n1 ZINC000072354832 570881317 /nfs/dbraw/zinc/88/13/17/570881317.db2.gz JCFJFWOAQBQJGC-FQEVSTJZSA-N 1 0 380.442 4.384 40 0 GIABRO CCC[N@@H+]1CCC[C@@](O)(c2nc(C)c(COc3ccc(OC)cc3)s2)CC1 ZINC000019705280 818601558 /nfs/dbraw/zinc/60/15/58/818601558.db2.gz SQLDVRGFAPMXJF-NRFANRHFSA-N 1 0 390.549 4.123 40 0 GIABRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cc1 ZINC000306144248 209108846 /nfs/dbraw/zinc/10/88/46/209108846.db2.gz ZAJFGTBDBMNVMO-HXUWFJFHSA-N 1 0 387.462 4.310 40 0 GIABRO COc1cccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccc(C)s4)C2)OC3)c1 ZINC000306141993 209107996 /nfs/dbraw/zinc/10/79/96/209107996.db2.gz WLYNZJKKXCBGKL-QFIPXVFZSA-N 1 0 395.528 4.104 40 0 GIABRO Fc1cccc(C[N@H+]2CC[C@]3(C2)Cn2c(-c4cccc(F)c4)cnc2CO3)c1 ZINC000306144167 209107905 /nfs/dbraw/zinc/10/79/05/209107905.db2.gz 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ZINC000019692013 207148687 /nfs/dbraw/zinc/14/86/87/207148687.db2.gz DARIAIDVLDXRCU-QHCPKHFHSA-N 1 0 376.504 4.060 40 0 GIABRO Cc1oc2c(c1C(=O)N1C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]1CCC[N@H+]3C)CCCC2 ZINC000019581310 207140255 /nfs/dbraw/zinc/14/02/55/207140255.db2.gz VEJIIGJVTXVHNU-TXTKFYIRSA-N 1 0 396.506 4.308 40 0 GIABRO Cc1cc(C)n(CCC[N@@H+](C)Cc2c(-c3ccc(F)cc3)nc3ccccn32)n1 ZINC000019714086 207152527 /nfs/dbraw/zinc/15/25/27/207152527.db2.gz OCEXCUIMGFWTIL-UHFFFAOYSA-N 1 0 391.494 4.476 40 0 GIABRO CCn1ccc(NC(=O)CC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000019748902 207159901 /nfs/dbraw/zinc/15/99/01/207159901.db2.gz KBMXHAIQKFLBMX-UHFFFAOYSA-N 1 0 394.441 4.163 40 0 GIABRO CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000020035767 207175257 /nfs/dbraw/zinc/17/52/57/207175257.db2.gz VMGDOQCDZXJVNY-UHFFFAOYSA-N 1 0 393.531 4.309 40 0 GIABRO COc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1OC ZINC000030751781 207373844 /nfs/dbraw/zinc/37/38/44/207373844.db2.gz JEKDBJCVCONXMV-KRWDZBQOSA-N 1 0 382.504 4.181 40 0 GIABRO COc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1OC ZINC000030751777 207374221 /nfs/dbraw/zinc/37/42/21/207374221.db2.gz JEKDBJCVCONXMV-QGZVFWFLSA-N 1 0 382.504 4.181 40 0 GIABRO CCOc1ccc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1OCC ZINC000044905189 207644308 /nfs/dbraw/zinc/64/43/08/207644308.db2.gz JEVSXLLPCWVUGK-UHFFFAOYSA-N 1 0 382.504 4.010 40 0 GIABRO CCn1cc(C[N@@H+]2CCC[C@H](c3ccc(Nc4cccc(C)n4)cn3)C2)c(C)n1 ZINC000072353358 208001627 /nfs/dbraw/zinc/00/16/27/208001627.db2.gz PWTSGNCPPWRWIJ-IBGZPJMESA-N 1 0 390.535 4.433 40 0 GIABRO CC(=O)N1CCC([N@@H+]2CCC[C@H]2c2cccc(Cc3ccccc3Cl)n2)CC1 ZINC000072358197 208002667 /nfs/dbraw/zinc/00/26/67/208002667.db2.gz YHWKFEWQXXFKHX-QHCPKHFHSA-N 1 0 397.950 4.474 40 0 GIABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3cccc(Nc4ncccc4C)n3)C2)cn1 ZINC000072376072 208008834 /nfs/dbraw/zinc/00/88/34/208008834.db2.gz KIKGCPHUMPFHHP-LJQANCHMSA-N 1 0 376.508 4.125 40 0 GIABRO CCc1nccn1-c1cccc([C@@H]2CCC[N@H+](Cc3ccc(OC)cc3)C2)n1 ZINC000072379121 208011695 /nfs/dbraw/zinc/01/16/95/208011695.db2.gz KNBPVFLXYWMHFN-LJQANCHMSA-N 1 0 376.504 4.218 40 0 GIABRO c1ccc(Nc2ccc3nc(C4CC[NH+](Cc5cccnc5)CC4)nn3c2)cc1 ZINC000096155823 208279139 /nfs/dbraw/zinc/27/91/39/208279139.db2.gz KKCQTQJMHKPRDR-UHFFFAOYSA-N 1 0 384.487 4.248 40 0 GIABRO CC(C)NC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccccn3)CC2)c2ccccc21 ZINC000096052629 208255947 /nfs/dbraw/zinc/25/59/47/208255947.db2.gz FQTGRHNTXNNJJP-LJQANCHMSA-N 1 0 377.532 4.017 40 0 GIABRO Cc1noc(C)c1C[NH+]1CCC2(C[C@@H](CC(=O)NC(C)C)c3ccccc32)CC1 ZINC000096052622 208256270 /nfs/dbraw/zinc/25/62/70/208256270.db2.gz MFDFVUOBQWDCRF-LJQANCHMSA-N 1 0 395.547 4.227 40 0 GIABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3cccnc3)CC2)c2ccccc21)NC1CCC1 ZINC000096052765 208256291 /nfs/dbraw/zinc/25/62/91/208256291.db2.gz GAMHAIOOURTCBY-HXUWFJFHSA-N 1 0 389.543 4.162 40 0 GIABRO COc1cccc(C[NH+]2CCC3(CCN(C(=O)c4cc(C)cc(C)c4)C3)CC2)c1 ZINC000096046651 208256854 /nfs/dbraw/zinc/25/68/54/208256854.db2.gz UGWRMWLGZLEYRG-UHFFFAOYSA-N 1 0 392.543 4.440 40 0 GIABRO CN(C)C(=O)C[C@H]1CC2(CC[NH+](Cc3cccs3)CC2)Oc2ccccc21 ZINC000096053144 208257794 /nfs/dbraw/zinc/25/77/94/208257794.db2.gz YJZINCUWBXYKKE-KRWDZBQOSA-N 1 0 384.545 4.127 40 0 GIABRO COCCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1ccc(C)s1)CC2 ZINC000096061350 208258028 /nfs/dbraw/zinc/25/80/28/208258028.db2.gz CRBBETIQHLSYSR-OAQYLSRUSA-N 1 0 398.572 4.054 40 0 GIABRO CN(C)C(=O)C[C@H]1CC2(CC[NH+](Cc3ccsc3)CC2)Oc2ccccc21 ZINC000096053148 208258385 /nfs/dbraw/zinc/25/83/85/208258385.db2.gz PJUBIRHBTMTABH-SFHVURJKSA-N 1 0 384.545 4.127 40 0 GIABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccoc3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053087 208259175 /nfs/dbraw/zinc/25/91/75/208259175.db2.gz KTGWTPBKIWOVKL-HXUWFJFHSA-N 1 0 394.515 4.097 40 0 GIABRO O=C(Cc1ccc(Cl)cc1)N1C[C@H]2C[NH+](Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC000096245470 208294900 /nfs/dbraw/zinc/29/49/00/208294900.db2.gz QMUVPSDUWGLZLP-QZTJIDSGSA-N 1 0 389.326 4.126 40 0 GIABRO COc1cccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4cccc(C)c4)C2)OC3)c1 ZINC000306139236 209107123 /nfs/dbraw/zinc/10/71/23/209107123.db2.gz SSYCWDZQKAAGNQ-XMMPIXPASA-N 1 0 389.499 4.042 40 0 GIABRO COc1cc(/C=C/c2cccc[n+]2C)ccc1OCC(=O)Nc1ccccc1C ZINC000005002331 208547191 /nfs/dbraw/zinc/54/71/91/208547191.db2.gz LGBZAGYGRYFVGC-ACCUITESSA-O 1 0 389.475 4.016 40 0 GIABRO CC(C)N(C)C(=O)c1ccc2c(c1)C1(CCO2)CC[NH+](Cc2ccccc2)CC1 ZINC000306134567 209102718 /nfs/dbraw/zinc/10/27/18/209102718.db2.gz NSFCPPQYGQXSMB-UHFFFAOYSA-N 1 0 392.543 4.483 40 0 GIABRO COc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1OC ZINC000038772148 533105968 /nfs/dbraw/zinc/10/59/68/533105968.db2.gz WVGREZCBBUQOBS-GOSISDBHSA-N 1 0 396.531 4.427 40 0 GIABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cc1 ZINC000306133011 209101008 /nfs/dbraw/zinc/10/10/08/209101008.db2.gz LYTOOYQYXPSBOW-OAQYLSRUSA-N 1 0 399.498 4.180 40 0 GIABRO Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](C2)N(Cc2ccc(F)cc2)C(=O)c2cccn23)s1 ZINC000306131079 209100023 /nfs/dbraw/zinc/10/00/23/209100023.db2.gz JVYXNAJAEQDNCF-NHCUHLMSSA-N 1 0 395.503 4.079 40 0 GIABRO COc1ccc(-c2cnc3n2C[C@@H]2C[N@@H+](Cc4cccc(F)c4)C[C@H]2C3)cc1 ZINC000306125554 209098253 /nfs/dbraw/zinc/09/82/53/209098253.db2.gz CTTOWBRNCXUOFD-MOPGFXCFSA-N 1 0 377.463 4.002 40 0 GIABRO CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224624868 208930476 /nfs/dbraw/zinc/93/04/76/208930476.db2.gz PLKIYDHGFGYFOC-JOCHJYFZSA-N 1 0 380.532 4.373 40 0 GIABRO O=S(=O)(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc2ccccc2c1 ZINC000224665079 208931410 /nfs/dbraw/zinc/93/14/10/208931410.db2.gz IFEJDAWXDZQIJV-UHFFFAOYSA-N 1 0 394.540 4.304 40 0 GIABRO c1csc(-c2ccc3nc([C@@H]4CCC[N@@H+](Cc5ccccn5)C4)nn3c2)c1 ZINC000306130423 209099360 /nfs/dbraw/zinc/09/93/60/209099360.db2.gz JFXZGMIMXTTYIU-QGZVFWFLSA-N 1 0 375.501 4.232 40 0 GIABRO Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)N(Cc2cccs2)C(=O)c2cccn23)s1 ZINC000306124853 209097017 /nfs/dbraw/zinc/09/70/17/209097017.db2.gz CAVLLZBYLZYSOD-MOPGFXCFSA-N 1 0 383.542 4.001 40 0 GIABRO O=C1N(CC2CCC2)CC[C@@]12C[N@H+](CC1CCCCC1)C[C@@H]2c1nccs1 ZINC000306126722 209096771 /nfs/dbraw/zinc/09/67/71/209096771.db2.gz FDGVIMMZGCUODC-KNQAVFIVSA-N 1 0 387.593 4.141 40 0 GIABRO Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCC[N@H+](CCN3CCCC3=O)C2)n1 ZINC000257208099 209055709 /nfs/dbraw/zinc/05/57/09/209055709.db2.gz BKTIAXAUVAIAEP-SFHVURJKSA-N 1 0 396.510 4.075 40 0 GIABRO CNc1ncccc1C[NH+]1CCC(c2cc(-c3c(C)noc3C)ccn2)CC1 ZINC000257297034 209070235 /nfs/dbraw/zinc/07/02/35/209070235.db2.gz RFMAAPXADBZFJL-UHFFFAOYSA-N 1 0 377.492 4.170 40 0 GIABRO C[N@@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cccnc1 ZINC000257310470 209073079 /nfs/dbraw/zinc/07/30/79/209073079.db2.gz UFERJGVFULWNCQ-ACUMWEPGSA-N 1 0 389.543 4.170 40 0 GIABRO Cc1csc(Nc2cncc(C3CC[NH+](CCc4ccccc4)CC3)n2)n1 ZINC000257303762 209073142 /nfs/dbraw/zinc/07/31/42/209073142.db2.gz SIOWJARJULRKNE-UHFFFAOYSA-N 1 0 379.533 4.407 40 0 GIABRO Clc1ccc(-c2nc3sc4c(c3c(N3CC[NH2+]CC3)n2)CCCC4)cc1 ZINC000013998063 136201553 /nfs/dbraw/zinc/20/15/53/136201553.db2.gz UJQRKFZYPGABKP-UHFFFAOYSA-N 1 0 384.936 4.300 40 0 GIABRO CC(C)c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[NH2+][C@@H]3Cc2ccccc2)on1 ZINC000257316782 209073955 /nfs/dbraw/zinc/07/39/55/209073955.db2.gz VGYYEUNXZWECSM-DGFIKVTLSA-N 1 0 393.531 4.154 40 0 GIABRO COc1ccc(C[N@H+]2[C@H](c3ccccc3)C[C@@H]3[C@@H]2CCCCN3C(C)=O)cc1 ZINC000257323617 209076022 /nfs/dbraw/zinc/07/60/22/209076022.db2.gz WLCLMCAWKBKARR-KMDXXIMOSA-N 1 0 378.516 4.412 40 0 GIABRO CCn1ncc(C[N@@H+]2CCC[C@H](c3cc(Nc4nccs4)cc(C)n3)C2)c1C ZINC000257340949 209078547 /nfs/dbraw/zinc/07/85/47/209078547.db2.gz ZIFXZZWDSGRJAI-KRWDZBQOSA-N 1 0 396.564 4.495 40 0 GIABRO Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072345959 222232827 /nfs/dbraw/zinc/23/28/27/222232827.db2.gz KKUVOENTSZDNIY-QGZVFWFLSA-N 1 0 379.895 4.154 40 0 GIABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc(N)ncc3-c3ccc(F)cc3)C2)cc1 ZINC000072345903 222233517 /nfs/dbraw/zinc/23/35/17/222233517.db2.gz TZRIAGSSDBEOEM-GOSISDBHSA-N 1 0 392.478 4.253 40 0 GIABRO O=C(C[N@H+]1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1)N1CCCCC1 ZINC000072348698 222235622 /nfs/dbraw/zinc/23/56/22/222235622.db2.gz QZMGIXWRZXCJMB-IBGZPJMESA-N 1 0 381.495 4.080 40 0 GIABRO CC(C)c1nccn1-c1nccnc1[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072350547 222238128 /nfs/dbraw/zinc/23/81/28/222238128.db2.gz BBCSDRMLUBUTCC-FQEVSTJZSA-N 1 0 375.520 4.208 40 0 GIABRO Cc1ccc([C@]2(O)CC[C@H]3C[N@H+](Cc4ccc(Cl)cc4Cl)C[C@H]32)nc1 ZINC000072392560 222249232 /nfs/dbraw/zinc/24/92/32/222249232.db2.gz RVISNTQROXODTJ-NQYLQCIDSA-N 1 0 377.315 4.426 40 0 GIABRO CC(C)CC[N@@H+]1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000514289258 560033124 /nfs/dbraw/zinc/03/31/24/560033124.db2.gz GVAPKEUQNVDQJQ-WPFOTENUSA-N 1 0 398.522 4.168 40 0 biogenic,in-vitro GIABRO CC1(C)[C@H](Cc2cc(CCO)on2)C[C@@H]1[NH+](Cc1ccco1)Cc1ccco1 ZINC000072320743 560077893 /nfs/dbraw/zinc/07/78/93/560077893.db2.gz NHCMIRJPNDFRRJ-IERDGZPVSA-N 1 0 384.476 4.055 40 0 biogenic,in-vitro GIABRO [NH2+]=C(Nc1ccc(I)cc1)NC1C2CC3CC(C2)CC1C3 ZINC000002568224 560188044 /nfs/dbraw/zinc/18/80/44/560188044.db2.gz UUKPIWYXWLJPJF-UHFFFAOYSA-N 1 0 395.288 4.052 40 0 in-vitro GIABRO Cc1ccccc1OC[C@]1(O)COCC[N@@H+]([C@H]2CC[C@H](C(C)(C)C)CC2)C1 ZINC000585284887 570254221 /nfs/dbraw/zinc/25/42/21/570254221.db2.gz AMEUOGJLGCQYEC-TXTKFYIRSA-N 1 0 375.553 4.042 40 0 GIABRO Cc1cccc(OC[C@@]2(O)COCC[N@@H+]([C@H]3CC[C@H](c4ccccc4)CC3)C2)c1 ZINC000585287790 570259003 /nfs/dbraw/zinc/25/90/03/570259003.db2.gz RUOMLCIQWFCIAF-LSQMVHIFSA-N 1 0 395.543 4.164 40 0 GIABRO O=C1N(c2ccsc2)c2ccccc2C12CC[NH+](Cc1ccccn1)CC2 ZINC000109770386 570321039 /nfs/dbraw/zinc/32/10/39/570321039.db2.gz XAVMHANPFKVBNQ-UHFFFAOYSA-N 1 0 375.497 4.355 40 0 GIABRO CC[NH+](CC)CCNCc1cccc(OC)c1OCc1ccccc1Cl ZINC000022075196 570321190 /nfs/dbraw/zinc/32/11/90/570321190.db2.gz MWPDTZMEQPZMKJ-UHFFFAOYSA-N 1 0 376.928 4.359 40 0 GIABRO Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000219237677 570350130 /nfs/dbraw/zinc/35/01/30/570350130.db2.gz JNUPAPYDKZPHKK-UYAOXDASSA-N 1 0 380.532 4.424 40 0 GIABRO COc1cc2c(cc1OCc1ccccc1)[C@H](Cc1ccc(O)cc1)[NH2+]CC2 ZINC000003847367 570351868 /nfs/dbraw/zinc/35/18/68/570351868.db2.gz VIDAVRHVTLFJEZ-QFIPXVFZSA-N 1 0 375.468 4.409 40 0 GIABRO CCC[C@@H](c1nnnn1C(C)(C)CC)N1CCN(c2cccc(C)c2C)CC1 ZINC000057669857 570367049 /nfs/dbraw/zinc/36/70/49/570367049.db2.gz UCLZCQOWSPCVTH-FQEVSTJZSA-N 1 0 384.572 4.098 40 0 GIABRO CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3cc[nH+]cc3)N21 ZINC000222675787 570420240 /nfs/dbraw/zinc/42/02/40/570420240.db2.gz ZGSPHXYXFCIADS-CWFSZBLJSA-N 1 0 375.501 4.247 40 0 GIABRO COc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2OC)c1 ZINC000035289808 570455419 /nfs/dbraw/zinc/45/54/19/570455419.db2.gz AJBGLZVZKVIXCU-SEJPIABJSA-N 1 0 394.515 4.019 40 0 GIABRO CC1(C)C[C@@H](NC(=O)C[NH+]2CCC(c3ccccc3)CC2)c2ccccc2O1 ZINC000035316876 570470263 /nfs/dbraw/zinc/47/02/63/570470263.db2.gz HAANKIUDSCFIPL-OAQYLSRUSA-N 1 0 378.516 4.285 40 0 GIABRO COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000223640901 570476050 /nfs/dbraw/zinc/47/60/50/570476050.db2.gz KMBQBEGTONLQMY-GOSISDBHSA-N 1 0 396.531 4.427 40 0 GIABRO Cc1ccc(C)c(OCCNC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000224027612 570495461 /nfs/dbraw/zinc/49/54/61/570495461.db2.gz GSPOFBDSKAOADU-UHFFFAOYSA-N 1 0 380.532 4.019 40 0 GIABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCOc3cc(C)cc(C)c3)CC2)c1 ZINC000224094455 570498370 /nfs/dbraw/zinc/49/83/70/570498370.db2.gz YHKBFQLYEMXICJ-UHFFFAOYSA-N 1 0 380.532 4.019 40 0 GIABRO Cc1ccc(OCCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c(C)c1 ZINC000224331940 570509376 /nfs/dbraw/zinc/50/93/76/570509376.db2.gz NKFNXRDCZHCIQK-UHFFFAOYSA-N 1 0 380.532 4.344 40 0 GIABRO O=C(COc1cccc2c1CCCC2)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000224536335 570517177 /nfs/dbraw/zinc/51/71/77/570517177.db2.gz OHESHEGHOYDSAW-UHFFFAOYSA-N 1 0 392.543 4.247 40 0 GIABRO CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224627134 570521190 /nfs/dbraw/zinc/52/11/90/570521190.db2.gz CTYSWJDWQFSRLV-OAQYLSRUSA-N 1 0 386.923 4.410 40 0 GIABRO COc1ccc(OCCCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224671191 570523468 /nfs/dbraw/zinc/52/34/68/570523468.db2.gz KQQYPBCSMNZLLR-UHFFFAOYSA-N 1 0 396.531 4.157 40 0 GIABRO CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224671694 570524052 /nfs/dbraw/zinc/52/40/52/570524052.db2.gz OTEOAEZUOLPBNM-QHCPKHFHSA-N 1 0 396.531 4.155 40 0 GIABRO Cc1cc(C)cc(CSCC(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000224757962 570529584 /nfs/dbraw/zinc/52/95/84/570529584.db2.gz SDTXRAIHWMNHFO-UHFFFAOYSA-N 1 0 382.573 4.449 40 0 GIABRO CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224837127 570533338 /nfs/dbraw/zinc/53/33/38/570533338.db2.gz VGMGDXNZDJELQV-QFIPXVFZSA-N 1 0 384.495 4.285 40 0 GIABRO S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cc[nH+]cc2)N1C1CCCC1 ZINC000225008489 570543000 /nfs/dbraw/zinc/54/30/00/570543000.db2.gz UNDOXZXZNXCDMJ-SFTDATJTSA-N 1 0 389.528 4.182 40 0 GIABRO CC(C)n1c2ccc(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)cc2sc1=O ZINC000225151329 570552207 /nfs/dbraw/zinc/55/22/07/570552207.db2.gz BVSGDKQNYPTZLM-UHFFFAOYSA-N 1 0 395.528 4.492 40 0 GIABRO COc1ccc2c(c1)C=C(C[N@H+](CCCn1ccnc1)Cc1ccc(C)o1)CO2 ZINC000036740268 570568466 /nfs/dbraw/zinc/56/84/66/570568466.db2.gz LWCBRKDXODCAKR-UHFFFAOYSA-N 1 0 393.487 4.161 40 0 GIABRO C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc2c(c1)CCCN2C(=O)C(C)(C)C ZINC000036741250 570569110 /nfs/dbraw/zinc/56/91/10/570569110.db2.gz YYKYFVVGULHFSQ-JOCHJYFZSA-N 1 0 380.532 4.177 40 0 GIABRO Fc1cc(Br)ccc1NC(=S)NCCC[NH+]1CCCCCC1 ZINC000225400208 570569916 /nfs/dbraw/zinc/56/99/16/570569916.db2.gz BRWZOWRNCGRKJX-UHFFFAOYSA-N 1 0 388.350 4.141 40 0 GIABRO COC(=O)c1ccc(C)c(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000038772512 570583098 /nfs/dbraw/zinc/58/30/98/570583098.db2.gz LWNWHRRZQQDFER-MRXNPFEDSA-N 1 0 380.488 4.266 40 0 GIABRO CCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225612206 570593716 /nfs/dbraw/zinc/59/37/16/570593716.db2.gz KCPIHDVEVSANOG-GCJKJVERSA-N 1 0 376.541 4.331 40 0 GIABRO CCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225611602 570593754 /nfs/dbraw/zinc/59/37/54/570593754.db2.gz KFEQPNZZPGPXTK-KGVIQGDOSA-N 1 0 376.541 4.187 40 0 GIABRO CO[C@@]1(C(=O)Nc2ccc(OCCC[NH+]3CCCCC3)cc2)CCC[C@H](C)C1 ZINC000225636363 570597050 /nfs/dbraw/zinc/59/70/50/570597050.db2.gz FMZGUASSJJPGDG-CVDCTZTESA-N 1 0 388.552 4.475 40 0 GIABRO CCCO[C@@]1(C(=O)Nc2ccc(OCC[NH+]3CCCC3)cc2)CCC[C@H](C)C1 ZINC000225662689 570599620 /nfs/dbraw/zinc/59/96/20/570599620.db2.gz JVPXZYWMGZMCGG-CVDCTZTESA-N 1 0 388.552 4.475 40 0 GIABRO CCCO[C@]1(C(=O)Nc2ccc(OCC[NH+]3CCCC3)cc2)CCC[C@H](C)C1 ZINC000225662717 570599848 /nfs/dbraw/zinc/59/98/48/570599848.db2.gz JVPXZYWMGZMCGG-WMZHIEFXSA-N 1 0 388.552 4.475 40 0 GIABRO CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225689218 570603776 /nfs/dbraw/zinc/60/37/76/570603776.db2.gz SUQSCGUCERRKCB-JOCHJYFZSA-N 1 0 376.541 4.331 40 0 GIABRO CCCO[C@](C)(CC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225730379 570610140 /nfs/dbraw/zinc/61/01/40/570610140.db2.gz WLHJDKTUBYZWRR-XMSQKQJNSA-N 1 0 376.541 4.331 40 0 GIABRO CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225730859 570610165 /nfs/dbraw/zinc/61/01/65/570610165.db2.gz OMQCSKDHNDBDHX-QFIPXVFZSA-N 1 0 376.541 4.475 40 0 GIABRO COc1ccc(C[NH+]2CCC(c3[nH]nc4ncccc43)CC2)cc1OC(C)C ZINC000012143431 570615185 /nfs/dbraw/zinc/61/51/85/570615185.db2.gz GHIUZFZBFGYBCV-UHFFFAOYSA-N 1 0 380.492 4.133 40 0 GIABRO C[NH+]1CCC(Oc2ccc(CNC(=S)Nc3ccccc3Cl)cc2)CC1 ZINC000225771959 570615845 /nfs/dbraw/zinc/61/58/45/570615845.db2.gz OFOXSOUUKPCTOE-UHFFFAOYSA-N 1 0 389.952 4.300 40 0 GIABRO COc1ccc(C[N@@H+](Cc2c[nH]c3ccccc23)C[C@@H]2CCCO2)cc1OC ZINC000012187292 570621459 /nfs/dbraw/zinc/62/14/59/570621459.db2.gz XELIEWXHXOQVKU-IBGZPJMESA-N 1 0 380.488 4.366 40 0 GIABRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H](O)c2ccc3ccccc3c2)CC1 ZINC000012188350 570621895 /nfs/dbraw/zinc/62/18/95/570621895.db2.gz DCBVODRYLVDAPD-DEOSSOPVSA-N 1 0 388.511 4.001 40 0 GIABRO Cc1oc2ccc(O)cc2c1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000012199312 570624124 /nfs/dbraw/zinc/62/41/24/570624124.db2.gz UPEUKDXTLPZPDC-IBGZPJMESA-N 1 0 382.435 4.153 40 0 GIABRO C[NH+](C)CCN(C(=O)Cc1csc(-c2ccccc2F)n1)C1CCCCC1 ZINC000012240268 570630115 /nfs/dbraw/zinc/63/01/15/570630115.db2.gz BTCKOGRCGQTWID-UHFFFAOYSA-N 1 0 389.540 4.215 40 0 GIABRO Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000044852662 570635986 /nfs/dbraw/zinc/63/59/86/570635986.db2.gz FBJAGSYWWFKKFS-HXUWFJFHSA-N 1 0 380.532 4.424 40 0 GIABRO Cc1cccc(C[NH+]2CCC(C(=O)N[C@H](C)COc3ccccc3C)CC2)c1 ZINC000044852550 570636279 /nfs/dbraw/zinc/63/62/79/570636279.db2.gz XJASJBMDSZIXFG-HXUWFJFHSA-N 1 0 380.532 4.099 40 0 GIABRO CC[C@H](Oc1ccccc1C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875292 570637709 /nfs/dbraw/zinc/63/77/09/570637709.db2.gz AXRDOEPQBNLORC-QFIPXVFZSA-N 1 0 380.532 4.455 40 0 GIABRO CC(C)Oc1cccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000044882598 570638463 /nfs/dbraw/zinc/63/84/63/570638463.db2.gz KDCAHZJQWDARMP-HXUWFJFHSA-N 1 0 384.495 4.141 40 0 GIABRO O=C(NCCCc1ccccc1Cl)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044906245 570641576 /nfs/dbraw/zinc/64/15/76/570641576.db2.gz UNSIRBFAJMSMCW-LJQANCHMSA-N 1 0 388.914 4.440 40 0 GIABRO CCOC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000044911655 570642382 /nfs/dbraw/zinc/64/23/82/570642382.db2.gz NJZZYCBDLLBAFS-UHFFFAOYSA-N 1 0 380.488 4.022 40 0 GIABRO CCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c(C)c1 ZINC000044912071 570642960 /nfs/dbraw/zinc/64/29/60/570642960.db2.gz QPCOKDIFLWXLTD-LJQANCHMSA-N 1 0 398.478 4.162 40 0 GIABRO COc1ccc(-c2cc3nc(C)c(C)c(NCC(C)(C)C[NH+](C)C)n3n2)cc1 ZINC000004980192 570656068 /nfs/dbraw/zinc/65/60/68/570656068.db2.gz OQTLSGFBNYSNSV-UHFFFAOYSA-N 1 0 381.524 4.021 40 0 GIABRO CO[C@]1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCC[C@H](C)C1 ZINC000260816735 570707883 /nfs/dbraw/zinc/70/78/83/570707883.db2.gz PBHMGWBUHIJJRX-YCRNBWNJSA-N 1 0 388.552 4.331 40 0 GIABRO CCOc1ccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000005948938 570737287 /nfs/dbraw/zinc/73/72/87/570737287.db2.gz BIKIJNWOAXTFIW-UHFFFAOYSA-N 1 0 397.544 4.198 40 0 GIABRO Cc1noc(C)c1-c1cc(C[C@H]2CC[N@H+](Cc3c[nH]c4ccccc34)C2)ncn1 ZINC000257230566 570764968 /nfs/dbraw/zinc/76/49/68/570764968.db2.gz GCWRCIVOAYAAMF-QGZVFWFLSA-N 1 0 387.487 4.294 40 0 GIABRO CC(C)c1cc(C(=O)N2[C@@H]3CCC[C@@H]4[NH2+][C@@H](C[C@@]43C)[C@@H]2Cc2ccccc2)on1 ZINC000257238604 570767572 /nfs/dbraw/zinc/76/75/72/570767572.db2.gz HLUFOCFIKZLZEQ-RLEHGOAJSA-N 1 0 393.531 4.154 40 0 GIABRO COc1ccc(C[N@H+](CCCn2ccnc2)Cc2cc3c(cc2C)OCO3)cc1 ZINC000013991148 570868469 /nfs/dbraw/zinc/86/84/69/570868469.db2.gz CDKUUIMEGRHNQP-UHFFFAOYSA-N 1 0 393.487 4.021 40 0 GIABRO COc1cccc(C[N@@H+]2CCC[C@H](c3cc(C(=O)Nc4ccccc4)on3)C2)c1 ZINC000072352768 570881511 /nfs/dbraw/zinc/88/15/11/570881511.db2.gz BCVGBYLMBUQLPS-SFHVURJKSA-N 1 0 391.471 4.315 40 0 GIABRO CCC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1Cc1ccc(OC)c(OC)c1 ZINC000005082111 570897771 /nfs/dbraw/zinc/89/77/71/570897771.db2.gz HXVWWPSVYMTSQW-LJQANCHMSA-N 1 0 385.504 4.273 40 0 GIABRO COc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccccc3)CC2)cc1 ZINC000585100272 570924091 /nfs/dbraw/zinc/92/40/91/570924091.db2.gz JFPXLCRDKZOTKW-XMMPIXPASA-N 1 0 378.516 4.243 40 0 GIABRO O=C(c1ccc(Cl)c(F)c1)N1CCC[C@]2(CCC[N@@H+]2C[C@H]2CCCO2)CC1 ZINC000585100544 570924588 /nfs/dbraw/zinc/92/45/88/570924588.db2.gz NBHTZBSYGPQDMD-UTKZUKDTSA-N 1 0 394.918 4.119 40 0 GIABRO Cc1cc(C)cc(C(=O)N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccnc4)[C@@H]3C2)c1 ZINC000585107848 570939714 /nfs/dbraw/zinc/93/97/14/570939714.db2.gz RZRPNXJECOPAAP-WWNPGLIZSA-N 1 0 377.532 4.071 40 0 GIABRO FC(F)(F)c1cc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)ccc1Cl ZINC000228931359 570951982 /nfs/dbraw/zinc/95/19/82/570951982.db2.gz LEJSWEWSEBIBSB-UHFFFAOYSA-N 1 0 396.804 4.167 40 0 GIABRO Cc1noc(C)c1CCC(=O)Nc1ccc(CC[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000012144914 818143925 /nfs/dbraw/zinc/14/39/25/818143925.db2.gz GXMKKOPDYDOBIS-UZLBHIALSA-N 1 0 383.536 4.383 40 0 GIABRO C[C@H]1CCC[N@H+](C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)c2cccc(F)c2)C1 ZINC000012291549 818153005 /nfs/dbraw/zinc/15/30/05/818153005.db2.gz MVOVWXSJTIPYQX-GAJHUEQPSA-N 1 0 396.506 4.184 40 0 GIABRO Cc1cccc(C[NH+]2CCC(Cc3ccc(-c4cccnc4)cc3)(C(N)=O)CC2)c1 ZINC000019700268 818600630 /nfs/dbraw/zinc/60/06/30/818600630.db2.gz DNCGCMXMBVRDPF-UHFFFAOYSA-N 1 0 399.538 4.367 40 0 GIABRO O=C(N1CCC([N@@H+]2CCc3ccccc3C2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000408613741 231081112 /nfs/dbraw/zinc/08/11/12/231081112.db2.gz ZWIVNUGKAFDUMR-UHFFFAOYSA-N 1 0 378.560 4.252 40 0 GIABRO Cn1c(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@H]32)cc2ccccc21 ZINC000257198543 206287917 /nfs/dbraw/zinc/28/79/17/206287917.db2.gz BZWKNVPOTFOSOP-MNHFLQJXSA-N 1 0 389.543 4.214 40 0 GIABRO CCn1c[n+](C[C@H](O)COc2ccc3ccccc3c2)c2cc(C)c(C)cc21 ZINC000000781052 206320410 /nfs/dbraw/zinc/32/04/10/206320410.db2.gz ZBTHHBSTUIPYPC-NRFANRHFSA-N 1 0 375.492 4.159 40 0 GIABRO CC[NH+](CC)CCOC(=O)[C@@](O)(c1ccccc1)c1cc(C)c(C)c(C)c1C ZINC000001710991 206389772 /nfs/dbraw/zinc/38/97/72/206389772.db2.gz XTIDJHFRSNESGD-XMMPIXPASA-N 1 0 383.532 4.041 40 0 GIABRO CC(C)(C)C(=O)N[C@@H](c1ccccn1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000019082005 207103465 /nfs/dbraw/zinc/10/34/65/207103465.db2.gz BGTRSCPGTKDMPU-JOCHJYFZSA-N 1 0 379.548 4.240 40 0 GIABRO Cc1ccc(C2(C[NH+]3CCC(NC(=O)C4CCC(=O)CC4)CC3)CCCC2)cc1 ZINC000019208507 207105661 /nfs/dbraw/zinc/10/56/61/207105661.db2.gz PHCGOLBEOCDBKN-UHFFFAOYSA-N 1 0 396.575 4.147 40 0 GIABRO Cc1ccc(C2(O)CC[NH+](Cc3cc4ccccc4nc3N(C)C)CC2)cc1 ZINC000019208586 207106306 /nfs/dbraw/zinc/10/63/06/207106306.db2.gz NLZNDSSQRHBJCE-UHFFFAOYSA-N 1 0 375.516 4.093 40 0 GIABRO FC(F)(F)c1cccc(Nc2cc(-c3ccncc3)nc([C@@H]3CC[NH2+]C3)n2)c1 ZINC000019330820 207116301 /nfs/dbraw/zinc/11/63/01/207116301.db2.gz ZNFKUQWZCPNIFM-CQSZACIVSA-N 1 0 385.393 4.378 40 0 GIABRO O=C(N[C@@H](c1ccccn1)C1CC[NH+](Cc2ccccc2F)CC1)C1CCC1 ZINC000019348863 207118538 /nfs/dbraw/zinc/11/85/38/207118538.db2.gz SQPKLXXQZKNKQK-JOCHJYFZSA-N 1 0 381.495 4.090 40 0 GIABRO O=c1oc2ccc(Cl)cc2n1C1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000019375131 207119348 /nfs/dbraw/zinc/11/93/48/207119348.db2.gz YMVVEMDAVOQRTB-UHFFFAOYSA-N 1 0 396.874 4.361 40 0 GIABRO NC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCC[N@H+](Cc2ccccn2)C1 ZINC000019374145 207119957 /nfs/dbraw/zinc/11/99/57/207119957.db2.gz DURHKMYKZKNRDK-RUZDIDTESA-N 1 0 385.511 4.059 40 0 GIABRO CC1CCN(C(=O)c2cc([C@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)no2)CC1 ZINC000019496741 207124981 /nfs/dbraw/zinc/12/49/81/207124981.db2.gz UPYGTYDIXRLNSO-SFHVURJKSA-N 1 0 385.483 4.065 40 0 GIABRO CCc1oc2ccccc2c1C[NH+]1CCC([C@@H](NC(C)=O)c2ccccn2)CC1 ZINC000019521354 207126845 /nfs/dbraw/zinc/12/68/45/207126845.db2.gz VMRMIDRFIAAJJH-XMMPIXPASA-N 1 0 391.515 4.480 40 0 GIABRO CCCc1ncc(CN(Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000019525702 207128782 /nfs/dbraw/zinc/12/87/82/207128782.db2.gz OHLYYPZXTYYBGJ-UHFFFAOYSA-N 1 0 381.568 4.136 40 0 GIABRO COc1cccc(C[NH+]2CCC([C@H](NC(=O)CC(C)C)c3ccccn3)CC2)c1 ZINC000019446694 207121158 /nfs/dbraw/zinc/12/11/58/207121158.db2.gz ZNYUIXOYHNTDNP-DEOSSOPVSA-N 1 0 395.547 4.206 40 0 GIABRO Cc1noc2nc([C@H]3CCC[N@H+](Cc4cnc(C)nc4)C3)cc(C(F)(F)F)c12 ZINC000019564388 207133898 /nfs/dbraw/zinc/13/38/98/207133898.db2.gz CJBRPYGVUIGVHB-AWEZNQCLSA-N 1 0 391.397 4.028 40 0 GIABRO Cc1cc(C(F)(F)F)c2c(n1)onc2C1CC[NH+](Cc2cnc(C)nc2)CC1 ZINC000019569135 207136668 /nfs/dbraw/zinc/13/66/68/207136668.db2.gz XBJILNCDXFWZLN-UHFFFAOYSA-N 1 0 391.397 4.028 40 0 GIABRO COc1ccccc1C[N@@H+]1CCC[C@H](c2cc(C(=O)NC3CCCCC3)on2)C1 ZINC000019570300 207136716 /nfs/dbraw/zinc/13/67/16/207136716.db2.gz HNKKRTBEDNQKCQ-KRWDZBQOSA-N 1 0 397.519 4.125 40 0 GIABRO Cc1noc2nc(C3CC[NH+](Cc4ccncc4)CC3)cc(C(F)(F)F)c12 ZINC000019565096 207136868 /nfs/dbraw/zinc/13/68/68/207136868.db2.gz HVFQVBCOJRHYEQ-UHFFFAOYSA-N 1 0 376.382 4.325 40 0 GIABRO CN(C)c1cc([C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)nc(-c2cccnc2)n1 ZINC000019584443 207139610 /nfs/dbraw/zinc/13/96/10/207139610.db2.gz DCWJISNMXNKVGS-IBGZPJMESA-N 1 0 391.494 4.123 40 0 GIABRO CCNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000019529148 207131615 /nfs/dbraw/zinc/13/16/15/207131615.db2.gz OKJHWJJHTKEJOH-AREMUKBSSA-N 1 0 399.538 4.320 40 0 GIABRO Cc1nn(C[C@H](C)C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)c(C)c1C ZINC000019556971 207132652 /nfs/dbraw/zinc/13/26/52/207132652.db2.gz MFEMWIKZOABZQS-KRWDZBQOSA-N 1 0 382.552 4.459 40 0 GIABRO CNc1cc(C2CC[NH+](Cc3ccc(F)cc3)CC2)nc(-c2ccncc2)n1 ZINC000019592295 207143726 /nfs/dbraw/zinc/14/37/26/207143726.db2.gz GEOMUKIGBGBWAC-UHFFFAOYSA-N 1 0 377.467 4.099 40 0 GIABRO Cc1cc(C)n(C2CC[NH+](Cc3c(C)nn(-c4ccc(F)cc4)c3C)CC2)n1 ZINC000019659095 207145653 /nfs/dbraw/zinc/14/56/53/207145653.db2.gz CFONOVNHHRVENW-UHFFFAOYSA-N 1 0 381.499 4.279 40 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/nfs/dbraw/zinc/00/62/28/208006228.db2.gz JNWVBGHGNXEPSK-QGZVFWFLSA-N 1 0 386.561 4.085 40 0 GIABRO COc1ccc(C[N@@H+]2CCC[C@H](c3ccnc(Nc4ccccn4)n3)C2)cc1 ZINC000072377432 208007520 /nfs/dbraw/zinc/00/75/20/208007520.db2.gz FDVBGLOOTUJZKR-SFHVURJKSA-N 1 0 375.476 4.003 40 0 GIABRO Clc1ccccc1OCCc1cc([C@H]2CC[N@H+](Cc3cccnc3)C2)[nH]n1 ZINC000072378126 208010626 /nfs/dbraw/zinc/01/06/26/208010626.db2.gz NFIVVNNHTDIBSQ-KRWDZBQOSA-N 1 0 382.895 4.069 40 0 GIABRO C[C@H](C[N@@H+]1CCNC(=O)[C@H](Cc2cccc(-c3cccnc3)c2)C1)c1ccccc1 ZINC000072388970 208012302 /nfs/dbraw/zinc/01/23/02/208012302.db2.gz FKLPLGKKHSPEQE-CJFMBICVSA-N 1 0 399.538 4.143 40 0 GIABRO O=C1N(Cc2ccccc2)c2ccccc2C12CC[NH+](Cc1cccnc1)CC2 ZINC000096052535 208255743 /nfs/dbraw/zinc/25/57/43/208255743.db2.gz ZAHOGPCIVPBTTF-UHFFFAOYSA-N 1 0 383.495 4.162 40 0 GIABRO CC(C)NC(=O)C[C@H]1CC2(CC[NH+](Cc3ccoc3)CC2)Oc2ccccc21 ZINC000096053310 208258916 /nfs/dbraw/zinc/25/89/16/208258916.db2.gz DIDBGBOKHYTFOH-IBGZPJMESA-N 1 0 382.504 4.095 40 0 GIABRO CC(C)NC(=O)C[C@H]1CC2(CC[NH+](Cc3ccco3)CC2)Oc2ccccc21 ZINC000096053306 208259981 /nfs/dbraw/zinc/25/99/81/208259981.db2.gz SEGUSSCNIWUZNM-SFHVURJKSA-N 1 0 382.504 4.095 40 0 GIABRO COCCN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1ccc(C)s1)CC2 ZINC000096061351 208260039 /nfs/dbraw/zinc/26/00/39/208260039.db2.gz CRBBETIQHLSYSR-NRFANRHFSA-N 1 0 398.572 4.054 40 0 GIABRO O=C(CCc1cccnc1)N1CCC[C@@]2(CCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000096214584 208287161 /nfs/dbraw/zinc/28/71/61/208287161.db2.gz IHCMLMJMMFJIGW-HSZRJFAPSA-N 1 0 397.950 4.325 40 0 GIABRO Clc1cccc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(-c4ccccc4)nc23)c1 ZINC000096244344 208296498 /nfs/dbraw/zinc/29/64/98/208296498.db2.gz CCFWFNUMAXDMNM-HSZRJFAPSA-N 1 0 391.902 4.471 40 0 GIABRO O=C(c1cscn1)N1C[C@H]2C[NH+](Cc3ccc(-c4ccccc4)cc3)C[C@@H]2C1 ZINC000096245491 208296616 /nfs/dbraw/zinc/29/66/16/208296616.db2.gz OYHPIJOLBLGACP-NHCUHLMSSA-N 1 0 389.524 4.014 40 0 GIABRO CC(=O)N(C)Cc1cc([C@H]2CC[C@H](C[N@H+](C)Cc3ccccc3C)CC2)nn1C ZINC000100687636 208377602 /nfs/dbraw/zinc/37/76/02/208377602.db2.gz ZWEWPBSHOIXPHN-OYRHEFFESA-N 1 0 396.579 4.113 40 0 GIABRO Cc1ccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccccc4F)C2)OC3)cc1 ZINC000306139962 209105249 /nfs/dbraw/zinc/10/52/49/209105249.db2.gz UFMQNABEWNEUNE-HSZRJFAPSA-N 1 0 377.463 4.173 40 0 GIABRO COc1cccc(C[N@@H+]2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306136316 209104478 /nfs/dbraw/zinc/10/44/78/209104478.db2.gz PPYQHLZITCCUKM-NRFANRHFSA-N 1 0 399.498 4.180 40 0 GIABRO c1ccc(CNc2ccc3nc([C@H]4CCC[N@H+](Cc5ccccn5)C4)nn3c2)cc1 ZINC000306135364 209104365 /nfs/dbraw/zinc/10/43/65/209104365.db2.gz OORKYKDYVIYWOY-FQEVSTJZSA-N 1 0 398.514 4.116 40 0 GIABRO Cc1ccsc1C[N@@H+]1CC[C@]2(CN(Cc3cccnc3)c3cccnc32)C1 ZINC000306138401 209103187 /nfs/dbraw/zinc/10/31/87/209103187.db2.gz RWTGKEQPJXHOOJ-JOCHJYFZSA-N 1 0 376.529 4.010 40 0 GIABRO Clc1cccc(C[N@@H+]2CC[C@@]3(CN(Cc4ccccn4)c4cccnc43)C2)c1 ZINC000306133862 209102086 /nfs/dbraw/zinc/10/20/86/209102086.db2.gz MXZNGKODTJSBEM-QHCPKHFHSA-N 1 0 390.918 4.294 40 0 GIABRO Cn1c2ccc(NC(=O)c3ccc(C[NH+]4CCCCCC4)cc3)cc2sc1=O ZINC000225058554 208940026 /nfs/dbraw/zinc/94/00/26/208940026.db2.gz PMAJYWVLUZATGO-UHFFFAOYSA-N 1 0 395.528 4.228 40 0 GIABRO COc1cccc(C[N@@H+]2CC[C@]3(C2)Cn2c(-c4ccc(C)cc4)cnc2CO3)c1 ZINC000306130457 209099796 /nfs/dbraw/zinc/09/97/96/209099796.db2.gz JGZGICXILAOEBD-DEOSSOPVSA-N 1 0 389.499 4.042 40 0 GIABRO C[NH+](C)CCCNC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000225402781 208950816 /nfs/dbraw/zinc/95/08/16/208950816.db2.gz LOWUCWNZHSOJIX-UHFFFAOYSA-N 1 0 397.588 4.453 40 0 GIABRO CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225619218 208963382 /nfs/dbraw/zinc/96/33/82/208963382.db2.gz UCDAVFNCUVZIEA-QFIPXVFZSA-N 1 0 376.541 4.475 40 0 GIABRO c1csc(-c2ccc3nc([C@H]4CCC[N@@H+](Cc5ccccn5)C4)nn3c2)c1 ZINC000306130422 209099235 /nfs/dbraw/zinc/09/92/35/209099235.db2.gz JFXZGMIMXTTYIU-KRWDZBQOSA-N 1 0 375.501 4.232 40 0 GIABRO Fc1ccc(CN2CCO[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cc1 ZINC000306123291 209094724 /nfs/dbraw/zinc/09/47/24/209094724.db2.gz AJHYGPHYMLHMQS-JOCHJYFZSA-N 1 0 388.446 4.109 40 0 GIABRO CCn1cc(C[NH+]2CCC3(CC2)CO[C@@H]2c4ccccc4OC(C)(C)[C@H]2C3)cn1 ZINC000257208747 209056074 /nfs/dbraw/zinc/05/60/74/209056074.db2.gz BNMADOJHAJXPRL-RBBKRZOGSA-N 1 0 395.547 4.434 40 0 GIABRO CC(C)NC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CC[NH+](CC2CC2)CC1 ZINC000257216822 209057712 /nfs/dbraw/zinc/05/77/12/209057712.db2.gz CWFMQHHYCMDZKQ-UHFFFAOYSA-N 1 0 391.559 4.308 40 0 GIABRO C[N@@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccnc(Cc2ccccc2)c1 ZINC000257243843 209059462 /nfs/dbraw/zinc/05/94/62/209059462.db2.gz IIULCTPDGDLRLY-ONTNHIFESA-N 1 0 389.543 4.150 40 0 GIABRO COc1cccc2c1OC1(CC[NH+](Cc3cccc(O)c3)CC1)[C@H]1CCCO[C@H]21 ZINC000257295293 209071549 /nfs/dbraw/zinc/07/15/49/209071549.db2.gz QXSSGKPLFVDNBO-RBBKRZOGSA-N 1 0 395.499 4.296 40 0 GIABRO CCn1ncc(C[NH+]2CCC(c3cccc(Nc4cccc(C)n4)n3)CC2)c1C ZINC000257342221 209078909 /nfs/dbraw/zinc/07/89/09/209078909.db2.gz ZNQBXYKKQITBFB-UHFFFAOYSA-N 1 0 390.535 4.433 40 0 GIABRO Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCC[N@H+](CCc3ccccc3)C2)n1 ZINC000072345923 222233126 /nfs/dbraw/zinc/23/31/26/222233126.db2.gz JDLUWBOJTFUCIA-LJQANCHMSA-N 1 0 376.479 4.287 40 0 GIABRO NC(=O)c1cccc(-c2cccc([C@H]3CCC[N@H+](CCc4ccccc4)C3)n2)c1 ZINC000072348689 222235208 /nfs/dbraw/zinc/23/52/08/222235208.db2.gz MKODFCDEBCDALS-QFIPXVFZSA-N 1 0 385.511 4.270 40 0 GIABRO CCn1ccnc1C[N@@H+]1CCC[C@H](c2cccc(-c3ccc(OC)cc3)n2)C1 ZINC000072350281 222236854 /nfs/dbraw/zinc/23/68/54/222236854.db2.gz JPDMCXVMHJAWHT-IBGZPJMESA-N 1 0 376.504 4.353 40 0 GIABRO CC(C)c1nccn1-c1nccnc1[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000072350509 222238165 /nfs/dbraw/zinc/23/81/65/222238165.db2.gz KOBPNLQWCRETHU-SFHVURJKSA-N 1 0 379.483 4.304 40 0 GIABRO CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+](C2CCCCC2)C1 ZINC000072395922 222251872 /nfs/dbraw/zinc/25/18/72/222251872.db2.gz MBTJIJWPYXJPOI-DEOSSOPVSA-N 1 0 395.547 4.435 40 0 GIABRO COc1ccc(Cl)cc1C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000408612274 533835157 /nfs/dbraw/zinc/83/51/57/533835157.db2.gz VCQSOPLQAMHOHC-UHFFFAOYSA-N 1 0 384.907 4.012 40 0 GIABRO CC[NH+](CC)CCOC(=O)[C@@H](C)c1cccc2c(=O)cc(-c3ccccc3)oc21 ZINC000005807617 520691367 /nfs/dbraw/zinc/69/13/67/520691367.db2.gz GXPADXQOJKKKOW-KRWDZBQOSA-N 1 0 393.483 4.449 40 0 GIABRO O=C(c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1)N1CCCCCC1 ZINC000408828610 534699302 /nfs/dbraw/zinc/69/93/02/534699302.db2.gz IDLINMIRGLZYGN-UHFFFAOYSA-N 1 0 377.532 4.025 40 0 GIABRO CN(Cc1cc(C[C@@H]2C[C@H]([NH2+]Cc3cccnc3)C2(C)C)no1)c1ccccc1 ZINC000067890147 560050132 /nfs/dbraw/zinc/05/01/32/560050132.db2.gz NDSAXAXJTYBRPJ-XXBNENTESA-N 1 0 390.531 4.453 40 0 biogenic,in-vitro GIABRO CCc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(N[C@@H](C)CC)[nH+]1 ZINC000328970323 570210123 /nfs/dbraw/zinc/21/01/23/570210123.db2.gz DIUXBZMACOGDIX-ZDUSSCGKSA-N 1 0 394.441 4.133 40 0 GIABRO Cc1ccc(Nc2cc(-c3ccccc3)nc(NCCC[NH+](C)C)n2)c(Cl)c1 ZINC000329062320 570216065 /nfs/dbraw/zinc/21/60/65/570216065.db2.gz WWPNZEUUTBAXBS-UHFFFAOYSA-N 1 0 395.938 4.056 40 0 GIABRO CC(C)(C)[C@H]1CC[C@H]([N@@H+]2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)CC1 ZINC000585288235 570259095 /nfs/dbraw/zinc/25/90/95/570259095.db2.gz ZBAPCSCHHPKZJX-JLMWRMLUSA-N 1 0 395.971 4.387 40 0 GIABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216408 570317559 /nfs/dbraw/zinc/31/75/59/570317559.db2.gz GIDKFYIRTLEXKX-IBGZPJMESA-N 1 0 388.556 4.076 40 0 GIABRO CCC[C@H](c1nnnn1C(C)(C)CC)N1CCN(c2cccc(C)c2C)CC1 ZINC000057669858 570367253 /nfs/dbraw/zinc/36/72/53/570367253.db2.gz UCLZCQOWSPCVTH-HXUWFJFHSA-N 1 0 384.572 4.098 40 0 GIABRO CCc1nc2ccccc2n1CC(=O)N1CCCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC000057776060 570373516 /nfs/dbraw/zinc/37/35/16/570373516.db2.gz UWFOIQSTRPNWLQ-FQEVSTJZSA-N 1 0 396.579 4.102 40 0 GIABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1F)N[C@@H](c1ccccc1)c1cccc2ccccc21 ZINC000685938968 570398363 /nfs/dbraw/zinc/39/83/63/570398363.db2.gz DGEHNJCIHSVLCF-APTRMMRNSA-N 1 0 376.475 4.383 40 0 GIABRO O=C(C[C@H]1CC[NH2+]C[C@@H]1F)Nc1nc(C2CC2)c(Cc2ccc(F)cc2)s1 ZINC000685938980 570398482 /nfs/dbraw/zinc/39/84/82/570398482.db2.gz PHAQBQSJYZAIJZ-ZBFHGGJFSA-N 1 0 391.487 4.027 40 0 GIABRO O=C(C[C@@H]1CC[NH2+]C[C@H]1F)N[C@@H](c1ccccc1)c1cccc2ccccc21 ZINC000685938970 570398518 /nfs/dbraw/zinc/39/85/18/570398518.db2.gz DGEHNJCIHSVLCF-KWOQKUFVSA-N 1 0 376.475 4.383 40 0 GIABRO Nc1nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc2ccccc12 ZINC000005338315 570434698 /nfs/dbraw/zinc/43/46/98/570434698.db2.gz QAYSARZIXKFWEV-UHFFFAOYSA-N 1 0 395.510 4.124 40 0 GIABRO Cc1ccc(SCCNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000039755054 570447917 /nfs/dbraw/zinc/44/79/17/570447917.db2.gz OFHCIAMJFFHMDY-UHFFFAOYSA-N 1 0 386.536 4.255 40 0 GIABRO Cc1cccc(C[NH+]2CCC(C(=O)NCc3cccc(OC(C)C)c3)CC2)c1 ZINC000039757949 570449311 /nfs/dbraw/zinc/44/93/11/570449311.db2.gz ZLPJKNJNSNIDNV-UHFFFAOYSA-N 1 0 380.532 4.311 40 0 GIABRO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1C(C)C ZINC000223221645 570450496 /nfs/dbraw/zinc/45/04/96/570450496.db2.gz DWQLRNBIXJMGOX-NHCUHLMSSA-N 1 0 399.608 4.005 40 0 GIABRO O=C(C(c1ccccc1)c1ccccc1)N1CC[NH+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000006060873 570465422 /nfs/dbraw/zinc/46/54/22/570465422.db2.gz ZABXKTGGHOTGBI-ZTCOLXNVSA-N 1 0 386.539 4.175 40 0 GIABRO COc1ccc(CCC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1C ZINC000223677370 570478406 /nfs/dbraw/zinc/47/84/06/570478406.db2.gz PTMKXOGLJCEGNO-UHFFFAOYSA-N 1 0 382.504 4.048 40 0 GIABRO Cc1ccc(Cl)c(OC[C@]2(O)CCC[N@H+](Cc3ccc(O)cc3)CC2)c1 ZINC000257243619 570487764 /nfs/dbraw/zinc/48/77/64/570487764.db2.gz IHUPMXVRXJJMFJ-NRFANRHFSA-N 1 0 375.896 4.150 40 0 GIABRO Cc1cc(C)cc(OCCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000224088832 570497969 /nfs/dbraw/zinc/49/79/69/570497969.db2.gz NFOBLHIYDJXPCH-UHFFFAOYSA-N 1 0 380.532 4.344 40 0 GIABRO Cc1cc(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)ccc1Cl ZINC000224515263 570516036 /nfs/dbraw/zinc/51/60/36/570516036.db2.gz RLRHAWAYMYDCIE-KRWDZBQOSA-N 1 0 386.923 4.328 40 0 GIABRO CCCc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000224526060 570516267 /nfs/dbraw/zinc/51/62/67/570516267.db2.gz WPBMEGCJTAQNQZ-UHFFFAOYSA-N 1 0 380.532 4.046 40 0 GIABRO CCCc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000224527834 570516778 /nfs/dbraw/zinc/51/67/78/570516778.db2.gz FAFCEQWDWMYKBF-UHFFFAOYSA-N 1 0 394.559 4.355 40 0 GIABRO CCCSc1nnc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)s1 ZINC000224538854 570517129 /nfs/dbraw/zinc/51/71/29/570517129.db2.gz KWIJNTUOJVIWCK-UHFFFAOYSA-N 1 0 394.541 4.030 40 0 GIABRO O=C(CCCOc1ccc(Cl)cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000224779012 570530339 /nfs/dbraw/zinc/53/03/39/570530339.db2.gz BSESHTDAFFWDCN-UHFFFAOYSA-N 1 0 386.923 4.411 40 0 GIABRO CCc1ccccc1O[C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224836319 570533205 /nfs/dbraw/zinc/53/32/05/570533205.db2.gz JQMUOSGSIPVRRB-IBGZPJMESA-N 1 0 380.532 4.319 40 0 GIABRO Cc1ccc(O[C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1C ZINC000224840298 570533407 /nfs/dbraw/zinc/53/34/07/570533407.db2.gz RTQYKOXPGJQMAE-FQEVSTJZSA-N 1 0 380.532 4.373 40 0 GIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2)C1 ZINC000225002880 570542651 /nfs/dbraw/zinc/54/26/51/570542651.db2.gz WWJQMEFHLXSRKE-IBGZPJMESA-N 1 0 393.531 4.007 40 0 GIABRO C[NH+]1CCC(Oc2ccc(NC(=O)Cc3ccc(Cl)cc3F)cc2)CC1 ZINC000225163796 570553215 /nfs/dbraw/zinc/55/32/15/570553215.db2.gz HBMVPEDXFNKXFM-UHFFFAOYSA-N 1 0 376.859 4.133 40 0 GIABRO Cc1ccccc1C[N@H+](CCCn1ccnc1)Cc1ccnn1[C@@H]1CCCCO1 ZINC000036740167 570568587 /nfs/dbraw/zinc/56/85/87/570568587.db2.gz CEBAELXHWLRDTE-QHCPKHFHSA-N 1 0 393.535 4.180 40 0 GIABRO C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc2c(c1)CCCN2C(=O)C(C)(C)C ZINC000036741251 570569178 /nfs/dbraw/zinc/56/91/78/570569178.db2.gz YYKYFVVGULHFSQ-QFIPXVFZSA-N 1 0 380.532 4.177 40 0 GIABRO COC(=O)c1ccc(C)c(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000038772510 570583207 /nfs/dbraw/zinc/58/32/07/570583207.db2.gz LWNWHRRZQQDFER-INIZCTEOSA-N 1 0 380.488 4.266 40 0 GIABRO CCO[C@]1(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCC[C@@H](C)C1 ZINC000225714846 570607925 /nfs/dbraw/zinc/60/79/25/570607925.db2.gz NOOYQPZFNVJIFF-AUSIDOKSSA-N 1 0 388.552 4.475 40 0 GIABRO CCO[C@](C)(C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000225724230 570609230 /nfs/dbraw/zinc/60/92/30/570609230.db2.gz SCOHBCRROGAADD-JPYJTQIMSA-N 1 0 388.552 4.331 40 0 GIABRO CCCOC(C)(C)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225727571 570609808 /nfs/dbraw/zinc/60/98/08/570609808.db2.gz IRPLEQQJILVSQL-GOSISDBHSA-N 1 0 376.541 4.331 40 0 GIABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=S)Nc2ccc(Br)cc2)C1 ZINC000225726969 570609823 /nfs/dbraw/zinc/60/98/23/570609823.db2.gz STZXYVIICJINEN-OKILXGFUSA-N 1 0 384.387 4.104 40 0 GIABRO Cc1cc(C)cc(NC(=S)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000225771875 570615781 /nfs/dbraw/zinc/61/57/81/570615781.db2.gz BUXWRZNFLBFXIX-UHFFFAOYSA-N 1 0 383.561 4.263 40 0 GIABRO CC(C)C(=O)N[C@@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012183324 570620033 /nfs/dbraw/zinc/62/00/33/570620033.db2.gz FCNURHAGHGRJLO-FUHWJXTLSA-N 1 0 375.513 4.008 40 0 GIABRO COc1ccc(C[N@@H+](Cc2oc3ccc(C)cc3c2C)C[C@H](C)O)cc1OC ZINC000012185607 570620366 /nfs/dbraw/zinc/62/03/66/570620366.db2.gz IFTCNTNNIMDVRJ-INIZCTEOSA-N 1 0 383.488 4.450 40 0 GIABRO Cc1cc(C)n(C[C@H](O)C[N@H+](Cc2ccco2)Cc2cccc3ccccc32)n1 ZINC000012185934 570620879 /nfs/dbraw/zinc/62/08/79/570620879.db2.gz KQSXBJBFQACXKI-JOCHJYFZSA-N 1 0 389.499 4.309 40 0 GIABRO Cc1oc2ccc(O)cc2c1C(=O)NC[C@@H](c1ccccc1F)[NH+]1CCCC1 ZINC000012200943 570624630 /nfs/dbraw/zinc/62/46/30/570624630.db2.gz UTPIDLSCHXLNCL-IBGZPJMESA-N 1 0 382.435 4.153 40 0 GIABRO Fc1ccccc1C[N@H+](CCCn1ccnc1)Cc1c[nH]cc2c(Cl)nnc1-2 ZINC000043277860 570626929 /nfs/dbraw/zinc/62/69/29/570626929.db2.gz PQFLDECCRYIVFH-UHFFFAOYSA-N 1 0 398.873 4.039 40 0 GIABRO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 ZINC000012219346 570627143 /nfs/dbraw/zinc/62/71/43/570627143.db2.gz CVVJZVZWYOATCE-OBHPCNEJSA-N 1 0 383.446 4.345 40 0 GIABRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccco1)NC12CC3CC(CC(C3)C1)C2 ZINC000004411573 570629314 /nfs/dbraw/zinc/62/93/14/570629314.db2.gz MKOKTVVOTAYKHE-UKBGNOBASA-N 1 0 397.563 4.433 40 0 GIABRO Cc1cc2c(cc1Cl)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccccc3)CC1)O2 ZINC000012293347 570633850 /nfs/dbraw/zinc/63/38/50/570633850.db2.gz GKHFHKBFACPTQC-WOJBJXKFSA-N 1 0 387.907 4.033 40 0 GIABRO CCOc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000044851425 570635968 /nfs/dbraw/zinc/63/59/68/570635968.db2.gz ZAZRNRMVHIXUOZ-UHFFFAOYSA-N 1 0 394.559 4.355 40 0 GIABRO CCCOc1ccccc1CCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000044851583 570636246 /nfs/dbraw/zinc/63/62/46/570636246.db2.gz PPFJFBMVIILTDK-UHFFFAOYSA-N 1 0 394.559 4.436 40 0 GIABRO Cc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)COc3ccc(C)cc3)CC2)cc1 ZINC000044852861 570636264 /nfs/dbraw/zinc/63/62/64/570636264.db2.gz MCTOMHDNJBEIPG-HXUWFJFHSA-N 1 0 380.532 4.099 40 0 GIABRO COc1ccc(CCCNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000044907124 570641996 /nfs/dbraw/zinc/64/19/96/570641996.db2.gz BYNYCXHSQDLJRT-LJQANCHMSA-N 1 0 380.532 4.290 40 0 GIABRO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000044912089 570642937 /nfs/dbraw/zinc/64/29/37/570642937.db2.gz OTRNPDMJDZHMCC-UHFFFAOYSA-N 1 0 380.488 4.022 40 0 GIABRO CC1(C)C[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c2ccccc2O1 ZINC000044918281 570643348 /nfs/dbraw/zinc/64/33/48/570643348.db2.gz BFGXPLDWHHYHQE-NQIIRXRSSA-N 1 0 396.506 4.456 40 0 GIABRO CCOc1ccccc1CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044919948 570643385 /nfs/dbraw/zinc/64/33/85/570643385.db2.gz CTYMRIQNGDGGKM-LJQANCHMSA-N 1 0 386.923 4.267 40 0 GIABRO CCOCc1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)ccc1OC ZINC000012329001 570643723 /nfs/dbraw/zinc/64/37/23/570643723.db2.gz VPPNDIONRXIOFZ-RIKCKFAHSA-N 1 0 399.506 4.385 40 0 GIABRO CC[C@H](NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1)c1ccc(OC)cc1 ZINC000044936273 570644223 /nfs/dbraw/zinc/64/42/23/570644223.db2.gz NGMKEGIXCROBPW-QHCPKHFHSA-N 1 0 380.532 4.483 40 0 GIABRO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)c(Cl)cc1O ZINC000012345394 570645147 /nfs/dbraw/zinc/64/51/47/570645147.db2.gz ZUTGDSGQCZYNDX-QRTHJKPMSA-N 1 0 391.870 4.208 40 0 GIABRO Cc1ccc(NC(=O)C[NH+]2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)cc1 ZINC000005625983 570665522 /nfs/dbraw/zinc/66/55/22/570665522.db2.gz IGZIFJNSZDITIO-UHFFFAOYSA-N 1 0 382.895 4.343 40 0 GIABRO COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000260762082 570703929 /nfs/dbraw/zinc/70/39/29/570703929.db2.gz GGJOEQZCEKHFEN-ZWKOTPCHSA-N 1 0 396.531 4.427 40 0 GIABRO CCCO[C@](C)(C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000260814467 570707676 /nfs/dbraw/zinc/70/76/76/570707676.db2.gz ISRBTBSKIKDXRL-MBSDFSHPSA-N 1 0 388.552 4.331 40 0 GIABRO CCCC[C@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260814753 570707815 /nfs/dbraw/zinc/70/78/15/570707815.db2.gz NDYPPFRVIJOHAF-GCJKJVERSA-N 1 0 376.541 4.474 40 0 GIABRO CCCOc1cccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000005946831 570736659 /nfs/dbraw/zinc/73/66/59/570736659.db2.gz GDWLDQVHFQEOIW-UHFFFAOYSA-N 1 0 397.544 4.198 40 0 GIABRO CCOc1cccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000005949449 570737264 /nfs/dbraw/zinc/73/72/64/570737264.db2.gz NTZLEMTWAXSERE-UHFFFAOYSA-N 1 0 397.544 4.198 40 0 GIABRO C[N@@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccc(Cc2ccccc2)nc1 ZINC000257230564 570765120 /nfs/dbraw/zinc/76/51/20/570765120.db2.gz GCWMQIFYFFXZEE-ONTNHIFESA-N 1 0 389.543 4.150 40 0 GIABRO Cc1cccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)C3CCCC3)c3ccccn3)C2)n1 ZINC000072330397 570879465 /nfs/dbraw/zinc/87/94/65/570879465.db2.gz OVKDWHDBSHTJCI-OFNKIYASSA-N 1 0 392.547 4.045 40 0 GIABRO O=C(c1ccc(Cl)c(F)c1)N1CCC[C@@]2(CCC[N@@H+]2C[C@@H]2CCCO2)CC1 ZINC000585100543 570924690 /nfs/dbraw/zinc/92/46/90/570924690.db2.gz NBHTZBSYGPQDMD-LAUBAEHRSA-N 1 0 394.918 4.119 40 0 GIABRO O=C(c1ccc(Cl)c(F)c1)N1CCC[C@@]2(CCC[N@@H+]2C[C@H]2CCCO2)CC1 ZINC000585100542 570924740 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383.330 4.186 40 0 GIABRO CC[C@H](C)Nc1nc(N2CCc3cc(C(C)(C)O)ccc3C2)cc(C(C)C)[nH+]1 ZINC000328961933 222805446 /nfs/dbraw/zinc/80/54/46/222805446.db2.gz BFKWARCVVPIGMM-INIZCTEOSA-N 1 0 382.552 4.022 40 0 GIABRO CC[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(C)cc1Br ZINC000008254557 291136866 /nfs/dbraw/zinc/13/68/66/291136866.db2.gz KIIBPNLBELDIBA-SOUVJXGZSA-N 1 0 396.398 4.164 40 0 biogenic,in-vitro GIABRO Cc1nc(N2CCc3cc(C(C)(C)O)ccc3C2)cc(NCc2ccccc2)[nH+]1 ZINC000328980399 206239127 /nfs/dbraw/zinc/23/91/27/206239127.db2.gz GMLVIHGPOTVFHM-UHFFFAOYSA-N 1 0 388.515 4.187 40 0 GIABRO CC(C)(C)Nc1nc(NCc2ccccc2Br)cc(C2CC2)[nH+]1 ZINC000328973694 206239410 /nfs/dbraw/zinc/23/94/10/206239410.db2.gz FCTVKFZGBPTMRD-UHFFFAOYSA-N 1 0 375.314 4.361 40 0 GIABRO CCc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(N[C@@H](C)CC)[nH+]1 ZINC000329012545 206240332 /nfs/dbraw/zinc/24/03/32/206240332.db2.gz MKFAOTUOTZBYNC-ZDUSSCGKSA-N 1 0 394.441 4.133 40 0 GIABRO CC(C)c1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(NC2CC2)[nH+]1 ZINC000329025789 206241597 /nfs/dbraw/zinc/24/15/97/206241597.db2.gz PJFPCZROELYVAH-UHFFFAOYSA-N 1 0 392.425 4.058 40 0 GIABRO CC[C@@H](C)Nc1cc(N2CCc3ccc(Br)cc3C2)nc(C)[nH+]1 ZINC000329036927 206242257 /nfs/dbraw/zinc/24/22/57/206242257.db2.gz RLFQLEFGOODYJD-GFCCVEGCSA-N 1 0 375.314 4.321 40 0 GIABRO Cn1c(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@H]32)cc2ccccc21 ZINC000257198540 206287223 /nfs/dbraw/zinc/28/72/23/206287223.db2.gz BZWKNVPOTFOSOP-IKJKNFHUSA-N 1 0 389.543 4.214 40 0 GIABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000019081807 207103503 /nfs/dbraw/zinc/10/35/03/207103503.db2.gz NMKJASKBDHFFJL-IRLDBZIGSA-N 1 0 379.548 4.240 40 0 GIABRO O=C(CCc1cccc(Cl)c1)N1CCC[C@H]2[NH2+]C[C@H](c3ccc(F)cc3)[C@H]21 ZINC000019293375 207114416 /nfs/dbraw/zinc/11/44/16/207114416.db2.gz RDPLGXZIMFSEBT-KCZVDYSFSA-N 1 0 386.898 4.158 40 0 GIABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](CC2CCCCC2)C1)c1ccccn1 ZINC000019400483 207120760 /nfs/dbraw/zinc/12/07/60/207120760.db2.gz RDCZZDSXLRNKBC-REWPJTCUSA-N 1 0 392.547 4.240 40 0 GIABRO CC(C)Oc1ccc(C[NH+]2CCC3(CC2)OCCc2cnc(C(C)C)nc23)cc1 ZINC000019454243 207123759 /nfs/dbraw/zinc/12/37/59/207123759.db2.gz NWNXPCQZTJOOQX-UHFFFAOYSA-N 1 0 395.547 4.451 40 0 GIABRO CCCC(=O)N1CC[C@H]2[C@@H](C1)[C@H](c1ccc(OC)cc1)C[N@@H+]2Cc1ccccc1 ZINC000019501531 207127195 /nfs/dbraw/zinc/12/71/95/207127195.db2.gz FOBBKOIXTPXWCW-HJOGWXRNSA-N 1 0 392.543 4.312 40 0 GIABRO CCOCc1cc(C[N@@H+]2CCC[C@@H](c3cc4ncccc4[nH]3)C2)ccc1OC ZINC000019531141 207130405 /nfs/dbraw/zinc/13/04/05/207130405.db2.gz MRXUGFQSTBZQLT-GOSISDBHSA-N 1 0 379.504 4.488 40 0 GIABRO CC(C)c1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCC[N@@H+]3C)on1 ZINC000019452987 207121841 /nfs/dbraw/zinc/12/18/41/207121841.db2.gz WLHXNGRDESKWOQ-DWLFOUALSA-N 1 0 381.520 4.281 40 0 GIABRO COc1cccc2ccc(C[N@@H+]3CC[C@H](c4nc(-c5cccs5)no4)C3)nc21 ZINC000019568409 207135971 /nfs/dbraw/zinc/13/59/71/207135971.db2.gz VXFQPCJUECEKSY-HNNXBMFYSA-N 1 0 392.484 4.344 40 0 GIABRO CCOCc1cc(C[N@@H+]2CCC[C@H](c3cc4ncccc4[nH]3)C2)ccc1OC ZINC000019531142 207131516 /nfs/dbraw/zinc/13/15/16/207131516.db2.gz MRXUGFQSTBZQLT-SFHVURJKSA-N 1 0 379.504 4.488 40 0 GIABRO COc1ccccc1Cc1cc(C)nc(C2CC[NH+](Cc3cnn(C)c3)CC2)c1 ZINC000019691593 207148713 /nfs/dbraw/zinc/14/87/13/207148713.db2.gz JFIPQGJCLAQHPE-UHFFFAOYSA-N 1 0 390.531 4.103 40 0 GIABRO O=C1[C@H](C2CC[NH+](Cc3ccncc3)CC2)CCCCN1Cc1ccccc1 ZINC000019703724 207149868 /nfs/dbraw/zinc/14/98/68/207149868.db2.gz DVGQSGFASROHEF-QHCPKHFHSA-N 1 0 377.532 4.123 40 0 GIABRO C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2C(=O)c1cc(C2CC2)on1 ZINC000019590814 207141303 /nfs/dbraw/zinc/14/13/03/207141303.db2.gz RLNXNAKRMOPUNK-DWLFOUALSA-N 1 0 397.494 4.174 40 0 GIABRO C[N@@H+]1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)c1cccc2ncccc21 ZINC000019589264 207142621 /nfs/dbraw/zinc/14/26/21/207142621.db2.gz GDKYNARGIVNZOE-YMPZKCBVSA-N 1 0 389.474 4.076 40 0 GIABRO Cc1c(-c2cncn2C[C@H](C)[NH+]2CCC(C)CC2)cnn1Cc1ccccc1 ZINC000019654472 207146183 /nfs/dbraw/zinc/14/61/83/207146183.db2.gz QQYXYNKGEYLQEE-IBGZPJMESA-N 1 0 377.536 4.224 40 0 GIABRO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](Cc2cccnc2N(C)C)C1 ZINC000019715728 207154188 /nfs/dbraw/zinc/15/41/88/207154188.db2.gz KIHWBYBKYBMJGD-LJQANCHMSA-N 1 0 377.536 4.458 40 0 GIABRO COc1c(C[N@@H+]2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)c(C)nn1C ZINC000019715714 207154527 /nfs/dbraw/zinc/15/45/27/207154527.db2.gz PUKBXHHZDCAKSG-KRWDZBQOSA-N 1 0 381.524 4.047 40 0 GIABRO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c(OC)c1 ZINC000028220678 207336402 /nfs/dbraw/zinc/33/64/02/207336402.db2.gz LBADGJQUJJVUNX-MRXNPFEDSA-N 1 0 388.895 4.208 40 0 GIABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3ccc(Nc4cccc(C)n4)cn3)C2)c(C)n1 ZINC000072353359 208000248 /nfs/dbraw/zinc/00/02/48/208000248.db2.gz PWTSGNCPPWRWIJ-LJQANCHMSA-N 1 0 390.535 4.433 40 0 GIABRO CC(=O)N1CCC([N@@H+]2CCC[C@@H]2c2cccc(Cc3ccccc3Cl)n2)CC1 ZINC000072358196 208002622 /nfs/dbraw/zinc/00/26/22/208002622.db2.gz YHWKFEWQXXFKHX-HSZRJFAPSA-N 1 0 397.950 4.474 40 0 GIABRO O=C(c1sc2ccccc2c1C[C@H]1CCCC[N@@H+]1CC1CC1)N1CCOCC1 ZINC000072370440 208004913 /nfs/dbraw/zinc/00/49/13/208004913.db2.gz LUNINGIFEMUDQS-GOSISDBHSA-N 1 0 398.572 4.181 40 0 GIABRO CCn1cc(C[N@@H+]2CCC[C@H](c3cccc(Nc4ncccc4C)n3)C2)cn1 ZINC000072376071 208010687 /nfs/dbraw/zinc/01/06/87/208010687.db2.gz KIKGCPHUMPFHHP-IBGZPJMESA-N 1 0 376.508 4.125 40 0 GIABRO CC(C)NC(=O)C[C@H]1CC2(CC[NH+](Cc3cccnc3)CC2)c2ccccc21 ZINC000096052632 208255063 /nfs/dbraw/zinc/25/50/63/208255063.db2.gz PEYCUHDHWAMSMY-FQEVSTJZSA-N 1 0 377.532 4.017 40 0 GIABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccoc3)CC2)c2ccccc21)NC1CCC1 ZINC000096052743 208255826 /nfs/dbraw/zinc/25/58/26/208255826.db2.gz JLNQAFUTWRKYSQ-LJQANCHMSA-N 1 0 378.516 4.360 40 0 GIABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccccn3)CC2)c2ccccc21)NCC1CC1 ZINC000096052678 208256039 /nfs/dbraw/zinc/25/60/39/208256039.db2.gz BOBIZXXEUTYWIB-FQEVSTJZSA-N 1 0 389.543 4.019 40 0 GIABRO CN(C)C(=O)C[C@@H]1CC2(CC[NH+](Cc3ccsc3)CC2)Oc2ccccc21 ZINC000096053147 208257257 /nfs/dbraw/zinc/25/72/57/208257257.db2.gz PJUBIRHBTMTABH-GOSISDBHSA-N 1 0 384.545 4.127 40 0 GIABRO COc1ccccc1CNC(=O)[C@@H]1Cc2c[nH]c3cccc(c23)[C@H](CC(C)C)[NH2+]1 ZINC000049171404 208451651 /nfs/dbraw/zinc/45/16/51/208451651.db2.gz DIQGCMHPUIJRFW-SFTDATJTSA-N 1 0 391.515 4.094 40 0 biogenic,in-vitro GIABRO Cc1ccc(C[N@@H+]2CC[C@]3(CN(Cc4ccccn4)c4cccnc43)C2)s1 ZINC000306135697 209104582 /nfs/dbraw/zinc/10/45/82/209104582.db2.gz OXZOBBRHDDVVKM-JOCHJYFZSA-N 1 0 376.529 4.010 40 0 GIABRO Cc1ccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4cccc(F)c4)C2)OC3)cc1 ZINC000306135867 209104149 /nfs/dbraw/zinc/10/41/49/209104149.db2.gz PDHWPWCQPBOVID-HSZRJFAPSA-N 1 0 377.463 4.173 40 0 GIABRO COc1cccc(-c2ccc3nc([C@H]4CCC[N@H+](Cc5ccoc5)C4)nn3c2)c1 ZINC000306133483 209101879 /nfs/dbraw/zinc/10/18/79/209101879.db2.gz MMZCVNMIPRQYMZ-FQEVSTJZSA-N 1 0 388.471 4.378 40 0 GIABRO c1cc(C[N@@H+]2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cs1 ZINC000306135096 209103354 /nfs/dbraw/zinc/10/33/54/209103354.db2.gz OHQLMGUUACGELY-LJQANCHMSA-N 1 0 375.501 4.232 40 0 GIABRO COc1ccc(CCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1C ZINC000224537016 208928138 /nfs/dbraw/zinc/92/81/38/208928138.db2.gz YNLXVOQTUQKVEZ-UHFFFAOYSA-N 1 0 380.532 4.239 40 0 GIABRO CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224800811 208934862 /nfs/dbraw/zinc/93/48/62/208934862.db2.gz QUMQICLPEGVOFQ-QHCPKHFHSA-N 1 0 380.532 4.373 40 0 GIABRO CCCO[C@](C)(C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1)C1CC1 ZINC000225672380 208966217 /nfs/dbraw/zinc/96/62/17/208966217.db2.gz VHNCMBOQDDANDC-QHCPKHFHSA-N 1 0 388.552 4.475 40 0 GIABRO COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)[N@H+](CCC(C)C)C3)cc1 ZINC000096111878 209008464 /nfs/dbraw/zinc/00/84/64/209008464.db2.gz WOCODLLBRDQNMZ-UNMCSNQZSA-N 1 0 394.515 4.110 40 0 biogenic,in-vitro GIABRO Cc1ncsc1C[NH+]1CCC2(CC1)OCC[C@@H]2CCOCC1CCCC1 ZINC000248016041 209030743 /nfs/dbraw/zinc/03/07/43/209030743.db2.gz HPYPNRYCXMFEPH-IBGZPJMESA-N 1 0 378.582 4.420 40 0 GIABRO O=C(C[NH+]1CCCCCC1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 ZINC000257202188 209055346 /nfs/dbraw/zinc/05/53/46/209055346.db2.gz AKUQNYQOCFMUQU-OAQYLSRUSA-N 1 0 381.520 4.195 40 0 GIABRO Cc1noc(C)c1-c1cc(C2CC[NH+](Cc3ccncc3C)CC2)nc(C)n1 ZINC000257279307 209065850 /nfs/dbraw/zinc/06/58/50/209065850.db2.gz OGAAWQDFASFZDL-UHFFFAOYSA-N 1 0 377.492 4.140 40 0 GIABRO CC(C)NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CC[NH+](CC2CC2)CC1 ZINC000257302650 209070989 /nfs/dbraw/zinc/07/09/89/209070989.db2.gz SDRYAKASZHFVAM-UHFFFAOYSA-N 1 0 391.559 4.308 40 0 GIABRO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000072344789 222232713 /nfs/dbraw/zinc/23/27/13/222232713.db2.gz LJRHYITURAQAQH-GOSISDBHSA-N 1 0 394.544 4.123 40 0 GIABRO Cn1cc(C[N@@H+]2CC[C@H](c3c4ccccc4sc3C(N)=O)C2)c2ccccc21 ZINC000072352286 222238013 /nfs/dbraw/zinc/23/80/13/222238013.db2.gz ZTQRFDLFADZOGD-HNNXBMFYSA-N 1 0 389.524 4.481 40 0 GIABRO CC1=C[C@@H](C[N@H+](C)CCO)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 ZINC000030882801 560089700 /nfs/dbraw/zinc/08/97/00/560089700.db2.gz UNVKDIQEXKNQAQ-ACRUOGEOSA-N 1 0 383.536 4.058 40 0 biogenic,in-vitro GIABRO CCc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(NC2CCCCC2)[nH+]1 ZINC000329018904 570212937 /nfs/dbraw/zinc/21/29/37/570212937.db2.gz NTMGHBAFIOSNBS-MRXNPFEDSA-N 1 0 380.536 4.400 40 0 GIABRO C[C@@H]1CC[C@H]2[C@]3(C)COC(C)(C)O[C@H]3CC[C@]2(C)[C@@]12CC[C@]1(CC[NH2+]C1)O2 ZINC000242548473 570232946 /nfs/dbraw/zinc/23/29/46/570232946.db2.gz LMNXZAAGTRVLOB-ABOAMBILSA-N 1 0 377.569 4.272 40 0 GIABRO CC(C)(C)[C@H]1CC[C@H]([N@@H+]2CCOC[C@@](O)(COc3cc(F)cc(F)c3)C2)CC1 ZINC000585285970 570255381 /nfs/dbraw/zinc/25/53/81/570255381.db2.gz GAXRBSGJPHZOKG-ZWDAVXSWSA-N 1 0 397.506 4.012 40 0 GIABRO CC(=O)N1CCC[C@H]([NH2+]CCc2ccc(Cl)cc2)[C@@H]1Cc1ccc(F)cc1 ZINC000585286326 570255772 /nfs/dbraw/zinc/25/57/72/570255772.db2.gz PVURJDPVDVJWIW-VXKWHMMOSA-N 1 0 388.914 4.233 40 0 GIABRO [NH3+]C[C@H]1Cc2ccccc2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002527101 570299152 /nfs/dbraw/zinc/29/91/52/570299152.db2.gz GHBGSKWVDCQDSR-LJQANCHMSA-N 1 0 384.479 4.321 40 0 GIABRO COc1cccc(-c2noc([C@H]3CC[N@H+](Cc4ccnc5ccccc45)C3)n2)c1 ZINC000072369906 570339836 /nfs/dbraw/zinc/33/98/36/570339836.db2.gz MBCSQTJNLDYDEB-SFHVURJKSA-N 1 0 386.455 4.283 40 0 GIABRO Fc1ccc(OCCc2cc([C@H]3CC[N@H+](CCc4ccccc4)C3)[nH]n2)cc1 ZINC000072371229 570340327 /nfs/dbraw/zinc/34/03/27/570340327.db2.gz JUIOYFSHPMGNLH-IBGZPJMESA-N 1 0 379.479 4.202 40 0 GIABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1F)N[C@H](c1ccccc1)c1cccc2ccccc21 ZINC000685938971 570398510 /nfs/dbraw/zinc/39/85/10/570398510.db2.gz DGEHNJCIHSVLCF-NGYIFUPDSA-N 1 0 376.475 4.383 40 0 GIABRO COC(=O)c1cn(C(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c2ccccc12 ZINC000222615690 570417061 /nfs/dbraw/zinc/41/70/61/570417061.db2.gz MGNLVFAWQMVQNX-UHFFFAOYSA-N 1 0 390.483 4.348 40 0 GIABRO CCCCN(CCCC)C(=O)[C@H]1C=C2c3cccc4[nH]cc(c43)C[C@H]2[N@@H+](C)C1 ZINC000005328407 570434399 /nfs/dbraw/zinc/43/43/99/570434399.db2.gz GVTRJLOTMIDJSS-PGRDOPGGSA-N 1 0 379.548 4.466 40 0 GIABRO COc1cc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)ccc1OC(C)C ZINC000039760138 570445696 /nfs/dbraw/zinc/44/56/96/570445696.db2.gz GKUQSTOTXRDYAR-UHFFFAOYSA-N 1 0 396.531 4.011 40 0 GIABRO O=C(NCCSCc1ccccc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039753595 570447576 /nfs/dbraw/zinc/44/75/76/570447576.db2.gz XJZARHXUTZZSFI-UHFFFAOYSA-N 1 0 386.536 4.087 40 0 GIABRO O=C(NCCCc1ccccc1Cl)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039748670 570447580 /nfs/dbraw/zinc/44/75/80/570447580.db2.gz XAWGKSICJUPQKP-UHFFFAOYSA-N 1 0 388.914 4.440 40 0 GIABRO COc1cccc(Nc2cc(-c3ccccc3)nc(NCCC[NH+](C)C)n2)c1 ZINC000240705917 570455862 /nfs/dbraw/zinc/45/58/62/570455862.db2.gz ALHJGXCYZVALAB-UHFFFAOYSA-N 1 0 377.492 4.259 40 0 GIABRO O=C(NCCOc1ccccc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000223414542 570464945 /nfs/dbraw/zinc/46/49/45/570464945.db2.gz WLFGTMQKIKECLT-UHFFFAOYSA-N 1 0 386.495 4.054 40 0 GIABRO COc1ccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccs2)cc1 ZINC000035310746 570465622 /nfs/dbraw/zinc/46/56/22/570465622.db2.gz MWUPPZLEIZQOLF-ALOPSCKCSA-N 1 0 387.574 4.239 40 0 GIABRO CC[NH+](CC)CCOC(=O)[C@](O)(c1ccccc1)c1cc(C)c(C)c(C)c1C ZINC000006382275 570478600 /nfs/dbraw/zinc/47/86/00/570478600.db2.gz XTIDJHFRSNESGD-DEOSSOPVSA-N 1 0 383.532 4.041 40 0 GIABRO CCCSc1nnc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)s1 ZINC000223968133 570492323 /nfs/dbraw/zinc/49/23/23/570492323.db2.gz VNJVXIJUCYYOIZ-UHFFFAOYSA-N 1 0 394.541 4.030 40 0 GIABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCOc3cc(C)cc(C)c3)CC2)cc1 ZINC000224094528 570498386 /nfs/dbraw/zinc/49/83/86/570498386.db2.gz RTOUYCZAYDUFEM-UHFFFAOYSA-N 1 0 380.532 4.019 40 0 GIABRO CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000224515756 570515955 /nfs/dbraw/zinc/51/59/55/570515955.db2.gz CRUQYLKMMDJZBY-HSZRJFAPSA-N 1 0 380.532 4.373 40 0 GIABRO COc1ccc(CSCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224646226 570522337 /nfs/dbraw/zinc/52/23/37/570522337.db2.gz RKLWTDIJCJCDGX-UHFFFAOYSA-N 1 0 398.572 4.231 40 0 GIABRO Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000224677027 570523849 /nfs/dbraw/zinc/52/38/49/570523849.db2.gz QYTGIWJPDOMFBL-FQEVSTJZSA-N 1 0 380.532 4.373 40 0 GIABRO CCc1ccccc1O[C@H](C)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224682027 570524521 /nfs/dbraw/zinc/52/45/21/570524521.db2.gz SINDUGBJRVNKNK-LJQANCHMSA-N 1 0 380.532 4.319 40 0 GIABRO CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224788422 570530891 /nfs/dbraw/zinc/53/08/91/570530891.db2.gz MAXKERHAHKVGSX-JOCHJYFZSA-N 1 0 380.532 4.373 40 0 GIABRO O=C(NCCSC1CCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000224795501 570531391 /nfs/dbraw/zinc/53/13/91/570531391.db2.gz TWYORCRDVPGBOL-QGZVFWFLSA-N 1 0 380.985 4.344 40 0 GIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CSCc1ccc(Cl)cc1F ZINC000224844565 570533820 /nfs/dbraw/zinc/53/38/20/570533820.db2.gz PZMFMUYPRINMEL-KRWDZBQOSA-N 1 0 386.964 4.483 40 0 GIABRO COc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(C)cc1 ZINC000035290325 570551170 /nfs/dbraw/zinc/55/11/70/570551170.db2.gz OVEGSTOOOHBNLL-SEJPIABJSA-N 1 0 378.516 4.319 40 0 GIABRO CC1CCN(c2ncc(C[NH2+]CCc3ccc(C(F)(F)F)cc3)cn2)CC1 ZINC000035316540 570551631 /nfs/dbraw/zinc/55/16/31/570551631.db2.gz MUCCMQTVDHVPKF-UHFFFAOYSA-N 1 0 378.442 4.064 40 0 GIABRO COc1ccc(CN(Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000036740525 570569474 /nfs/dbraw/zinc/56/94/74/570569474.db2.gz HBTYHRKGJQHKOA-UHFFFAOYSA-N 1 0 397.563 4.410 40 0 GIABRO O=C(NCCSC1CCCC1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000225533893 570584897 /nfs/dbraw/zinc/58/48/97/570584897.db2.gz HMHZSHIJSFXSLM-UHFFFAOYSA-N 1 0 380.985 4.344 40 0 GIABRO O=C(NCCSCc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038837053 570587152 /nfs/dbraw/zinc/58/71/52/570587152.db2.gz BCNWZWNUPLSFNS-FQEVSTJZSA-N 1 0 386.536 4.087 40 0 GIABRO Cc1cccc(C2(C(=O)Nc3ccc(OCCC[NH+](C)C)cc3)CCOCC2)c1 ZINC000225566980 570588775 /nfs/dbraw/zinc/58/87/75/570588775.db2.gz PIUNAEJVIRCHOQ-UHFFFAOYSA-N 1 0 396.531 4.012 40 0 GIABRO CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225607316 570593188 /nfs/dbraw/zinc/59/31/88/570593188.db2.gz PRVAPHVSBRMOOA-JOCHJYFZSA-N 1 0 376.541 4.331 40 0 GIABRO CSc1nnc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)s1 ZINC000225625424 570595960 /nfs/dbraw/zinc/59/59/60/570595960.db2.gz NGSRZVCUHGOQTI-UHFFFAOYSA-N 1 0 396.541 4.071 40 0 GIABRO COC1(C(=O)Nc2ccc(OCCC[NH+]3CCCCC3)cc2)CCC(C)CC1 ZINC000225640776 570597341 /nfs/dbraw/zinc/59/73/41/570597341.db2.gz WELYFPBMULDAAE-UHFFFAOYSA-N 1 0 388.552 4.475 40 0 GIABRO CCO[C@](C)(CC)C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225650536 570598217 /nfs/dbraw/zinc/59/82/17/570598217.db2.gz NNCSGOJPVSIHBG-KGVIQGDOSA-N 1 0 376.541 4.187 40 0 GIABRO CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000225688569 570603276 /nfs/dbraw/zinc/60/32/76/570603276.db2.gz QQKJEWWJLHAKRW-JOCHJYFZSA-N 1 0 376.541 4.331 40 0 GIABRO CCSc1nnc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)s1 ZINC000225697751 570604985 /nfs/dbraw/zinc/60/49/85/570604985.db2.gz DZKYVRHZTDMTTP-UHFFFAOYSA-N 1 0 376.551 4.134 40 0 GIABRO CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000225698920 570605043 /nfs/dbraw/zinc/60/50/43/570605043.db2.gz ZQQKSBLKFARXBS-QFIPXVFZSA-N 1 0 376.541 4.475 40 0 GIABRO CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225699583 570605563 /nfs/dbraw/zinc/60/55/63/570605563.db2.gz QRABNTMUUDEWQJ-QFIPXVFZSA-N 1 0 376.541 4.475 40 0 GIABRO CC(C)c1ncc(C[NH+]2CCC(c3nc4ccc(F)cc4cc3N)CC2)cn1 ZINC000012087929 570606525 /nfs/dbraw/zinc/60/65/25/570606525.db2.gz SINREIBFFMHVEC-UHFFFAOYSA-N 1 0 379.483 4.249 40 0 GIABRO CCO[C@]1(C(=O)Nc2ccc(OCCC[NH+]3CCCC3)cc2)CCC[C@@H](C)C1 ZINC000225715829 570607953 /nfs/dbraw/zinc/60/79/53/570607953.db2.gz HHVKBPWPJPNAFZ-AUSIDOKSSA-N 1 0 388.552 4.475 40 0 GIABRO Cc1ccc(NC(=S)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1C ZINC000225771905 570615865 /nfs/dbraw/zinc/61/58/65/570615865.db2.gz HVLINTKLNMSPLO-UHFFFAOYSA-N 1 0 383.561 4.263 40 0 GIABRO CC(C)C(=O)N[C@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012183312 570619983 /nfs/dbraw/zinc/61/99/83/570619983.db2.gz FCNURHAGHGRJLO-AEFFLSMTSA-N 1 0 375.513 4.008 40 0 GIABRO COc1ccc([C@H](O)C[NH+]2CCC3(C=Cc4cc(C)c(C)cc4O3)CC2)cc1 ZINC000012188028 570621780 /nfs/dbraw/zinc/62/17/80/570621780.db2.gz MJJMCXHIXQXQBO-JOCHJYFZSA-N 1 0 379.500 4.286 40 0 GIABRO Cc1ccc(C2(O)CC[NH+](Cc3cccc(OCc4cccnc4)c3)CC2)cc1 ZINC000012293091 570633639 /nfs/dbraw/zinc/63/36/39/570633639.db2.gz RZTIRMSVSYACDO-UHFFFAOYSA-N 1 0 388.511 4.453 40 0 GIABRO Cc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)cc1C ZINC000012293519 570633655 /nfs/dbraw/zinc/63/36/55/570633655.db2.gz ZHVDRMZGFHRTSL-GOTSBHOMSA-N 1 0 395.543 4.304 40 0 GIABRO O[C@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2)c1ccccc1 ZINC000012293363 570633662 /nfs/dbraw/zinc/63/36/62/570633662.db2.gz MBPVCSLHIRXDDK-DHIUTWEWSA-N 1 0 389.495 4.224 40 0 GIABRO Cc1ccc(OC[C@H](C)NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000044852857 570636157 /nfs/dbraw/zinc/63/61/57/570636157.db2.gz WTRFPUKJOYYXRH-FQEVSTJZSA-N 1 0 380.532 4.099 40 0 GIABRO CCOc1ccc(CCCNC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044851417 570636163 /nfs/dbraw/zinc/63/61/63/570636163.db2.gz SHXPYMQLIOVQAV-NRFANRHFSA-N 1 0 398.522 4.185 40 0 GIABRO COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000044855701 570636471 /nfs/dbraw/zinc/63/64/71/570636471.db2.gz DGXZLKMSUGFJIR-NRFANRHFSA-N 1 0 394.515 4.323 40 0 GIABRO Cc1ccc(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1C ZINC000044875428 570637534 /nfs/dbraw/zinc/63/75/34/570637534.db2.gz MNDSUDDRFWJVQP-HXUWFJFHSA-N 1 0 380.532 4.373 40 0 GIABRO Cc1ccc(C)c(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000044875053 570637633 /nfs/dbraw/zinc/63/76/33/570637633.db2.gz SEISARQWWIXHJX-HXUWFJFHSA-N 1 0 380.532 4.373 40 0 GIABRO CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875457 570638129 /nfs/dbraw/zinc/63/81/29/570638129.db2.gz PSAFSLMBNOLTAH-HSZRJFAPSA-N 1 0 380.532 4.455 40 0 GIABRO CCOc1ccccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000004885990 570642933 /nfs/dbraw/zinc/64/29/33/570642933.db2.gz GZEMZGFSTVNJRC-IHWFROFDSA-N 1 0 379.504 4.402 40 0 GIABRO COc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000044933145 570643838 /nfs/dbraw/zinc/64/38/38/570643838.db2.gz TULIAJBVIRCGBA-VQIMIIECSA-N 1 0 386.923 4.438 40 0 GIABRO CC[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc(OC)cc1 ZINC000044936229 570644301 /nfs/dbraw/zinc/64/43/01/570644301.db2.gz ARYQIIRDHCXNGX-DENIHFKCSA-N 1 0 384.495 4.314 40 0 GIABRO Cc1cc(-c2cnc(NCCC[N@H+]3CCCC[C@H]3C)nc2-c2ccco2)on1 ZINC000012337048 570644777 /nfs/dbraw/zinc/64/47/77/570644777.db2.gz HBEQZQFQKFMPTN-MRXNPFEDSA-N 1 0 381.480 4.376 40 0 GIABRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(Cl)cc1 ZINC000012362778 570646296 /nfs/dbraw/zinc/64/62/96/570646296.db2.gz OKYBAYHMFJGHKB-QGZVFWFLSA-N 1 0 391.968 4.305 40 0 GIABRO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000005625710 570665360 /nfs/dbraw/zinc/66/53/60/570665360.db2.gz UTQAWKRUTNWPHS-PBHICJAKSA-N 1 0 388.943 4.091 40 0 GIABRO O=C(OCc1ccccc1)N1C[C@H](OCc2ccccc2)C[C@@H]1C[NH+]1CCCC1 ZINC000012650999 570695102 /nfs/dbraw/zinc/69/51/02/570695102.db2.gz RWSANADENYLJKX-DHIUTWEWSA-N 1 0 394.515 4.079 40 0 GIABRO CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260812553 570707233 /nfs/dbraw/zinc/70/72/33/570707233.db2.gz GEKFLSCAGRMPAL-PGRDOPGGSA-N 1 0 376.541 4.331 40 0 GIABRO COc1cc(C[NH2+]CC(C)C)cc(Br)c1OCc1cccnc1 ZINC000006858906 570752198 /nfs/dbraw/zinc/75/21/98/570752198.db2.gz YPPAXSSVRIAJQV-UHFFFAOYSA-N 1 0 379.298 4.177 40 0 GIABRO O=C(CSCc1ccc(Br)cc1)NCCC[NH+]1CCCCCC1 ZINC000013646507 570766028 /nfs/dbraw/zinc/76/60/28/570766028.db2.gz ADHQWBGYEOGVIA-UHFFFAOYSA-N 1 0 399.398 4.065 40 0 GIABRO COc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000009062666 570773934 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4.116 40 0 GIABRO O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000019401600 818591955 /nfs/dbraw/zinc/59/19/55/818591955.db2.gz HSJBNFIRQNEHMC-HYBUGGRVSA-N 1 0 392.547 4.126 40 0 GIABRO CC[N@@H+]1CCC[C@](O)(c2nc(C)c(CCOc3ccccc3Cl)s2)CC1 ZINC000019705431 818601660 /nfs/dbraw/zinc/60/16/60/818601660.db2.gz VFZOQWFUBHQZDM-HXUWFJFHSA-N 1 0 394.968 4.420 40 0 GIABRO Cc1nc(-c2ccc(C)cc2C)c(CC(=O)N2CC[C@@H]3[C@H]2CCCC[N@H+]3C)s1 ZINC000019712585 818602577 /nfs/dbraw/zinc/60/25/77/818602577.db2.gz BWVXEWGSZUEGKP-WOJBJXKFSA-N 1 0 397.588 4.363 40 0 GIABRO COc1cccc2cc(C[N@H+]3[C@@H](c4ccccc4)C[C@@H]4NC(=O)CCC[C@H]43)oc21 ZINC000019713926 818603232 /nfs/dbraw/zinc/60/32/32/818603232.db2.gz FXGYXSFKVSRMLT-PWRODBHTSA-N 1 0 390.483 4.426 40 0 GIABRO CCOc1ccc([C@@]2(O)CN(c3cccc(Cl)c3)C3=[N+]2CCCCC3)cc1 ZINC000027525105 820256072 /nfs/dbraw/zinc/25/60/72/820256072.db2.gz KTYSGZSJCIDUEG-QFIPXVFZSA-N 1 0 385.915 4.389 40 0 GIABRO 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CCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225612327 570593833 /nfs/dbraw/zinc/59/38/33/570593833.db2.gz ZRVDVKUEHNTDAX-QFIPXVFZSA-N 1 0 376.541 4.475 40 0 GIABRO COC1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCCCCC1 ZINC000225630686 570595988 /nfs/dbraw/zinc/59/59/88/570595988.db2.gz NAJGKECIIYGSLR-LJQANCHMSA-N 1 0 388.552 4.475 40 0 GIABRO CCO[C@@](C)(CC)C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000225651020 570598255 /nfs/dbraw/zinc/59/82/55/570598255.db2.gz ZJFANPGGGBFSNM-QFIPXVFZSA-N 1 0 376.541 4.331 40 0 GIABRO COc1cc(C)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1C(C)C ZINC000225668425 570600572 /nfs/dbraw/zinc/60/05/72/570600572.db2.gz BQUCUENOLFRPSA-UHFFFAOYSA-N 1 0 381.520 4.131 40 0 GIABRO CCCO[C@@](C)(C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1)C1CC1 ZINC000225672631 570601574 /nfs/dbraw/zinc/60/15/74/570601574.db2.gz PNTZSPCSOVYPLJ-HSZRJFAPSA-N 1 0 388.552 4.475 40 0 GIABRO CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225699554 570605539 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40 0 GIABRO COc1ccc(C[N@@H+](Cc2[nH]c3ccc(F)cc3c2C)C[C@H](C)O)cc1OC ZINC000012185553 570620490 /nfs/dbraw/zinc/62/04/90/570620490.db2.gz XKEAYJFXXONYFP-AWEZNQCLSA-N 1 0 386.467 4.016 40 0 GIABRO O=c1c2ccccc2nc(SCC[NH+]2CCCCC2)n1-c1ccc(F)cc1 ZINC000004216028 570623496 /nfs/dbraw/zinc/62/34/96/570623496.db2.gz FZDVESFHLSRZCS-UHFFFAOYSA-N 1 0 383.492 4.103 40 0 GIABRO COc1ccc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2cccc4ncccc24)C3)cc1 ZINC000012238595 570629575 /nfs/dbraw/zinc/62/95/75/570629575.db2.gz KDUIRESGIVDBNG-KEVCNVLYSA-N 1 0 388.511 4.363 40 0 GIABRO Cc1cc2c(cc1Cl)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccccc3)CC1)O2 ZINC000012293352 570633702 /nfs/dbraw/zinc/63/37/02/570633702.db2.gz GKHFHKBFACPTQC-VQTJNVASSA-N 1 0 387.907 4.033 40 0 GIABRO Cc1ccc(C[NH+]2CCC(C(=O)N[C@@H](C)COc3ccccc3C)CC2)cc1 ZINC000044852552 570636283 /nfs/dbraw/zinc/63/62/83/570636283.db2.gz VFYGIDVAYRCHKU-FQEVSTJZSA-N 1 0 380.532 4.099 40 0 GIABRO CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872899 570637505 /nfs/dbraw/zinc/63/75/05/570637505.db2.gz VKPVGPPEWRURNB-HXUWFJFHSA-N 1 0 386.923 4.410 40 0 GIABRO CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875343 570637544 /nfs/dbraw/zinc/63/75/44/570637544.db2.gz VXOABRKFCJEXBN-HSZRJFAPSA-N 1 0 396.531 4.155 40 0 GIABRO O=C(CSCc1ccc(F)cc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875208 570637610 /nfs/dbraw/zinc/63/76/10/570637610.db2.gz YXXLXXKIRYAVNJ-UHFFFAOYSA-N 1 0 386.536 4.361 40 0 GIABRO O=C(NCCCc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044906379 570641613 /nfs/dbraw/zinc/64/16/13/570641613.db2.gz PEHHMIKDWBKWFE-IBGZPJMESA-N 1 0 388.914 4.440 40 0 GIABRO COc1cccc(CCCNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000044906920 570641867 /nfs/dbraw/zinc/64/18/67/570641867.db2.gz YSOQTXIRCREHMF-LJQANCHMSA-N 1 0 380.532 4.290 40 0 GIABRO COc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c(OC)c1 ZINC000004887931 570642828 /nfs/dbraw/zinc/64/28/28/570642828.db2.gz PGJFJYAXQUAMHQ-IHWFROFDSA-N 1 0 394.515 4.019 40 0 GIABRO OC1(c2cccnc2)CC[NH+](Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000012363665 570646088 /nfs/dbraw/zinc/64/60/88/570646088.db2.gz PQGNGBGSNAUJHT-UHFFFAOYSA-N 1 0 392.474 4.283 40 0 GIABRO Cc1c(/C=C/c2cc[n+](C)cc2)c2ccccc2n1CC(=O)N1CCCCCC1 ZINC000004932970 570649601 /nfs/dbraw/zinc/64/96/01/570649601.db2.gz QGUWWSGSVBLHHC-UHFFFAOYSA-N 1 0 388.535 4.347 40 0 GIABRO C[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)cc2)CC1 ZINC000059294442 570653487 /nfs/dbraw/zinc/65/34/87/570653487.db2.gz OSRWGVLCQWBONF-WYMLVPIESA-N 1 0 387.483 4.350 40 0 GIABRO CO[C@]1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@H]3C)cc2)CCC[C@H](C)C1 ZINC000260814473 570707797 /nfs/dbraw/zinc/70/77/97/570707797.db2.gz IWICYXUBRAQMIB-YCRNBWNJSA-N 1 0 388.552 4.474 40 0 GIABRO CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260816899 570708608 /nfs/dbraw/zinc/70/86/08/570708608.db2.gz RRLNRSHAVANTEW-XMSQKQJNSA-N 1 0 376.541 4.330 40 0 GIABRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2)CC1 ZINC000100809336 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Cc1cc(C)c(S(=O)(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c(C)c1 ZINC000224659930 208931603 /nfs/dbraw/zinc/93/16/03/208931603.db2.gz RWAPSCSTXVYWPZ-UHFFFAOYSA-N 1 0 386.561 4.076 40 0 GIABRO Cc1ccc(C)c(O[C@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000224677072 208932213 /nfs/dbraw/zinc/93/22/13/208932213.db2.gz QYTGIWJPDOMFBL-HXUWFJFHSA-N 1 0 380.532 4.373 40 0 GIABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc(Br)ccc2Cl)C1 ZINC000225072888 208939558 /nfs/dbraw/zinc/93/95/58/208939558.db2.gz PCJNNYMEFZMSAV-CHWSQXEVSA-N 1 0 387.749 4.200 40 0 GIABRO COc1cccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(-c4ccc(C)cc4)cnc2CO3)c1 ZINC000306130458 209099755 /nfs/dbraw/zinc/09/97/55/209099755.db2.gz JGZGICXILAOEBD-XMMPIXPASA-N 1 0 389.499 4.042 40 0 GIABRO CCOC(=O)c1ccc(NC(=S)NCCC[NH+]2CCCCCC2)cc1Cl ZINC000225400909 208951072 /nfs/dbraw/zinc/95/10/72/208951072.db2.gz CJLABZKEIQXNHG-UHFFFAOYSA-N 1 0 397.972 4.069 40 0 GIABRO c1cc(C[NH+]2CCC(c3nnc4ccc(-c5ccccc5)nn43)CC2)cs1 ZINC000306124308 209097123 /nfs/dbraw/zinc/09/71/23/209097123.db2.gz BMLDZCKRUTUHRU-UHFFFAOYSA-N 1 0 375.501 4.232 40 0 GIABRO CSc1ccc(/C=C/C(=O)NCC2CC[NH+](C3CCSCC3)CC2)cc1 ZINC000245015150 209026449 /nfs/dbraw/zinc/02/64/49/209026449.db2.gz LNVXYBJSRIUIJY-UHFFFAOYSA-N 1 0 390.618 4.146 40 0 GIABRO Cc1ncc(C[NH+]2CCC3(CC2)CO[C@@H]2c4ccccc4OC(C)(C)[C@H]2C3)cn1 ZINC000257253484 209060326 /nfs/dbraw/zinc/06/03/26/209060326.db2.gz JZCJZRHBPVVXKJ-RBBKRZOGSA-N 1 0 393.531 4.316 40 0 GIABRO COc1ccccc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[NH2+][C@H]2Cc1ccccc1 ZINC000257264977 209064488 /nfs/dbraw/zinc/06/44/88/209064488.db2.gz LWUKYSQPDDLYEO-HRZCLMFYSA-N 1 0 390.527 4.052 40 0 GIABRO COc1ccc(CN(C)C(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000039772039 533520514 /nfs/dbraw/zinc/52/05/14/533520514.db2.gz TUZMEPBRQLZBLM-UHFFFAOYSA-N 1 0 386.923 4.219 40 0 GIABRO COc1cc2c(cc1OC)CN(c1cc(C)[nH+]c(NC3CCCCC3)n1)CC2 ZINC000243849749 136192548 /nfs/dbraw/zinc/19/25/48/136192548.db2.gz RFPQMUFJRDHCQX-UHFFFAOYSA-N 1 0 382.508 4.110 40 0 GIABRO COc1ccccc1C(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[NH2+]2 ZINC000257341444 209079059 /nfs/dbraw/zinc/07/90/59/209079059.db2.gz ZKIZYZQBOCAQNL-JMSCNDQESA-N 1 0 390.527 4.052 40 0 GIABRO Cc1[nH]c2cc(C)ccc2c1[C@@H](O)C[N@@H+]1CCC[C@](O)(c2ccc(F)cc2)CC1 ZINC000072343231 222232185 /nfs/dbraw/zinc/23/21/85/222232185.db2.gz IDAUMPJXIODEOO-LADGPHEKSA-N 1 0 396.506 4.331 40 0 GIABRO Cc1[nH]c2cc(C)ccc2c1[C@H](O)C[N@@H+]1CCC[C@](O)(c2ccc(F)cc2)CC1 ZINC000072343230 222232253 /nfs/dbraw/zinc/23/22/53/222232253.db2.gz IDAUMPJXIODEOO-ISKFKSNPSA-N 1 0 396.506 4.331 40 0 GIABRO Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)n1 ZINC000072345895 222233684 /nfs/dbraw/zinc/23/36/84/222233684.db2.gz MKYIJSUTFFPJJH-QGZVFWFLSA-N 1 0 380.442 4.384 40 0 GIABRO O=C(C[NH+]1CCC(c2cccc(Cc3ccccc3F)n2)CC1)N1CCCCC1 ZINC000072348704 222235260 /nfs/dbraw/zinc/23/52/60/222235260.db2.gz PWGASHAEJZFMHV-UHFFFAOYSA-N 1 0 395.522 4.003 40 0 GIABRO CCOc1ccc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4ccccn4)n3)CC2)cc1 ZINC000072392823 222247983 /nfs/dbraw/zinc/24/79/83/222247983.db2.gz PSVFPELIGLJLLU-UHFFFAOYSA-N 1 0 390.487 4.023 40 0 GIABRO CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CC[N@H+](CC2CCCCC2)C1 ZINC000072391087 222248003 /nfs/dbraw/zinc/24/80/03/222248003.db2.gz VIWIUXFZIWCZKO-VWLOTQADSA-N 1 0 391.559 4.310 40 0 GIABRO Cc1cccnc1[C@]1(O)CC[C@H]2C[N@H+](Cc3cccc(Cl)c3Cl)C[C@H]21 ZINC000072392524 222248575 /nfs/dbraw/zinc/24/85/75/222248575.db2.gz VXRJJRWDYRYVPF-NBQZKYEYSA-N 1 0 377.315 4.426 40 0 GIABRO Cc1ccc([C@]2(O)CC[C@H]3C[N@H+](Cc4cccc(Cl)c4Cl)C[C@H]32)nc1 ZINC000072392561 222249905 /nfs/dbraw/zinc/24/99/05/222249905.db2.gz PNYICGJVVNJAHG-NBQZKYEYSA-N 1 0 377.315 4.426 40 0 GIABRO CN(C)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+](C2CCCCC2)C1 ZINC000072395920 222251125 /nfs/dbraw/zinc/25/11/25/222251125.db2.gz AFLPQMDSNDMVSP-DEOSSOPVSA-N 1 0 395.547 4.387 40 0 GIABRO CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC000514288757 560034400 /nfs/dbraw/zinc/03/44/00/560034400.db2.gz BITMYGJZZXQPKC-IRLDBZIGSA-N 1 0 398.453 4.092 40 0 biogenic,in-vitro GIABRO CCOc1cc2c(cc1OCC)[C@H](c1ccc(Br)cc1)[NH2+]CC2 ZINC000020507132 560093672 /nfs/dbraw/zinc/09/36/72/560093672.db2.gz KOYWTXBINRJTAB-IBGZPJMESA-N 1 0 376.294 4.482 40 0 biogenic,in-vitro GIABRO O[C@@H]1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)[N@@H+](C2CCCCC2)C1 ZINC000015674148 560230951 /nfs/dbraw/zinc/23/09/51/560230951.db2.gz KWQMXFFGLUCECF-CVEARBPZSA-N 1 0 381.398 4.196 40 0 biogenic,in-vitro GIABRO O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000585290486 570258714 /nfs/dbraw/zinc/25/87/14/570258714.db2.gz WVPKHQCRWRNVNU-BHDDXSALSA-N 1 0 384.907 4.314 40 0 GIABRO CC(C)(C)OC(=O)N[C@H]1CCN([C@H](C[NH3+])c2cccc(Oc3ccccc3)c2)C1 ZINC000101039286 570280698 /nfs/dbraw/zinc/28/06/98/570280698.db2.gz NSQRQRJDMLTDCH-GHTZIAJQSA-N 1 0 397.519 4.078 40 0 GIABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+][C@@H](C)[C@H](O)c3ccccc3)o2)cc1 ZINC000022076234 570320565 /nfs/dbraw/zinc/32/05/65/570320565.db2.gz ZIVQDTQJVZJMLV-AOMKIAJQSA-N 1 0 379.456 4.335 40 0 GIABRO CCN(CC)CC[NH2+]Cc1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000022075115 570321403 /nfs/dbraw/zinc/32/14/03/570321403.db2.gz GMBKDKANCWOWGO-UHFFFAOYSA-N 1 0 376.928 4.359 40 0 GIABRO CC[NH+](CC)CCNCc1cc(Br)ccc1OCc1ccccc1 ZINC000022075439 570321821 /nfs/dbraw/zinc/32/18/21/570321821.db2.gz UDPLQTTYXCOWKI-UHFFFAOYSA-N 1 0 391.353 4.460 40 0 GIABRO OCc1ccc(-c2cncc([C@H]3CCC[N@H+](CCCc4ccccc4)C3)n2)cc1 ZINC000072359621 570339894 /nfs/dbraw/zinc/33/98/94/570339894.db2.gz CZEBYURZKZCNHI-QHCPKHFHSA-N 1 0 387.527 4.448 40 0 GIABRO C[C@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000222722015 570422434 /nfs/dbraw/zinc/42/24/34/570422434.db2.gz QCQXUHLPVDJQFE-SFHVURJKSA-N 1 0 394.515 4.325 40 0 GIABRO CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC2(CC1)C(=O)NCN2c1ccccc1 ZINC000005499957 570443108 /nfs/dbraw/zinc/44/31/08/570443108.db2.gz SCZBGHIZLUMOQC-FQEVSTJZSA-N 1 0 383.923 4.220 40 0 GIABRO CCOc1ccccc1CCCNC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000039767722 570445867 /nfs/dbraw/zinc/44/58/67/570445867.db2.gz DPFPKRFFQQMFIY-UHFFFAOYSA-N 1 0 394.559 4.355 40 0 GIABRO O=C(NCCCc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039742250 570447021 /nfs/dbraw/zinc/44/70/21/570447021.db2.gz GRCOKDLQNWNXJB-UHFFFAOYSA-N 1 0 388.914 4.440 40 0 GIABRO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1C(C)C ZINC000223221821 570450639 /nfs/dbraw/zinc/45/06/39/570450639.db2.gz DWQLRNBIXJMGOX-SFTDATJTSA-N 1 0 399.608 4.005 40 0 GIABRO Cc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)NCc2ccccc2)C3)cc1 ZINC000035289486 570454686 /nfs/dbraw/zinc/45/46/86/570454686.db2.gz KZUIWZMNCBEBHM-NOTZXAQLSA-N 1 0 377.532 4.380 40 0 GIABRO CCCC[NH+](CCCC)C[C@@H](O)c1ccccc1I ZINC000005973451 570463400 /nfs/dbraw/zinc/46/34/00/570463400.db2.gz ZRVAQOINPZJDQN-MRXNPFEDSA-N 1 0 375.294 4.227 40 0 GIABRO CC[NH+](CC)CCOC(=O)[C@](O)(c1c(C)cc(C)cc1C)C1CCCCC1 ZINC000006382273 570478610 /nfs/dbraw/zinc/47/86/10/570478610.db2.gz KHRQGYWZVQGCPO-HSZRJFAPSA-N 1 0 375.553 4.265 40 0 GIABRO CCCSc1nnc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000223740063 570482161 /nfs/dbraw/zinc/48/21/61/570482161.db2.gz CXKVZPPPNLOYJX-UHFFFAOYSA-N 1 0 376.551 4.278 40 0 GIABRO CO[C@]1(COc2ccc(C)cc2)CCC[N@H+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000257302563 570488693 /nfs/dbraw/zinc/48/86/93/570488693.db2.gz SDJTWNOGJWXBKD-XMMPIXPASA-N 1 0 396.531 4.404 40 0 GIABRO Cc1cc(C)cc(OCCNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000224097994 570498688 /nfs/dbraw/zinc/49/86/88/570498688.db2.gz JFDXXXCVHOKQPZ-UHFFFAOYSA-N 1 0 380.532 4.488 40 0 GIABRO CCCc1ccc(OCCNC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000224529874 570516831 /nfs/dbraw/zinc/51/68/31/570516831.db2.gz KHOLOYNGMIHILR-UHFFFAOYSA-N 1 0 394.559 4.355 40 0 GIABRO O=C(CSCc1ccccc1F)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000224534587 570517125 /nfs/dbraw/zinc/51/71/25/570517125.db2.gz XYMRJKKLUCAWQD-UHFFFAOYSA-N 1 0 386.536 4.361 40 0 GIABRO S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cc[nH+]cc2)N1C1CCCC1 ZINC000225008524 570543037 /nfs/dbraw/zinc/54/30/37/570543037.db2.gz UNDOXZXZNXCDMJ-RTWAWAEBSA-N 1 0 389.528 4.182 40 0 GIABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc(Br)ccc2Cl)C1 ZINC000225072924 570547079 /nfs/dbraw/zinc/54/70/79/570547079.db2.gz PCJNNYMEFZMSAV-BETUJISGSA-N 1 0 387.749 4.200 40 0 GIABRO COc1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2c2ccc(C)c(C)c2)cc1NC(C)=O ZINC000036734333 570568121 /nfs/dbraw/zinc/56/81/21/570568121.db2.gz GIHPYDWTDXJDAB-VXKWHMMOSA-N 1 0 382.504 4.141 40 0 GIABRO COc1ccccc1C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)/C=C/c1ccccc1)C2 ZINC000001377908 570582490 /nfs/dbraw/zinc/58/24/90/570582490.db2.gz ZOYZRUZZBHQKFV-LKNVEGBXSA-N 1 0 390.527 4.410 40 0 GIABRO O=C(Nc1cccc(Br)c1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038833945 570585825 /nfs/dbraw/zinc/58/58/25/570585825.db2.gz ODVDQLHYCXQKJQ-OAHLLOKOSA-N 1 0 391.284 4.439 40 0 GIABRO O=C(Nc1ccccc1Br)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038834899 570586339 /nfs/dbraw/zinc/58/63/39/570586339.db2.gz BDRIZGWSHRWSIP-OAHLLOKOSA-N 1 0 391.284 4.439 40 0 GIABRO O=C(NCCSCc1ccco1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038852041 570588609 /nfs/dbraw/zinc/58/86/09/570588609.db2.gz BAIUXPXKCISWLK-KRWDZBQOSA-N 1 0 392.952 4.195 40 0 GIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000225582608 570590844 /nfs/dbraw/zinc/59/08/44/570590844.db2.gz HQYKXWLNKLQAKX-HNNXBMFYSA-N 1 0 397.972 4.068 40 0 GIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(OC)c2ncccc12 ZINC000225585286 570591241 /nfs/dbraw/zinc/59/12/41/570591241.db2.gz OMONVWKBQIEJKX-MRXNPFEDSA-N 1 0 386.565 4.184 40 0 GIABRO CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225607001 570593281 /nfs/dbraw/zinc/59/32/81/570593281.db2.gz UZPJPNVAPASMFC-JOCHJYFZSA-N 1 0 376.541 4.331 40 0 GIABRO COC1(C(=O)Nc2ccc(OCCC[NH+]3CCC(C)CC3)cc2)CCCCC1 ZINC000225628812 570596200 /nfs/dbraw/zinc/59/62/00/570596200.db2.gz XEESSLQPPAIZCN-UHFFFAOYSA-N 1 0 388.552 4.475 40 0 GIABRO CO[C@@]1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225635485 570596931 /nfs/dbraw/zinc/59/69/31/570596931.db2.gz PBHMGWBUHIJJRX-PWHSHALESA-N 1 0 388.552 4.331 40 0 GIABRO COC1(C(=O)Nc2ccc(OCC[NH+]3CCC(C)CC3)cc2)CCC(C)CC1 ZINC000225640374 570597396 /nfs/dbraw/zinc/59/73/96/570597396.db2.gz CSPMUAQZLJDJOP-UHFFFAOYSA-N 1 0 388.552 4.331 40 0 GIABRO CCO[C@](C)(CC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225651197 570598163 /nfs/dbraw/zinc/59/81/63/570598163.db2.gz BCLYDPKAXVCNFX-PGRDOPGGSA-N 1 0 376.541 4.474 40 0 GIABRO CCOC1(C(=O)Nc2ccc(OCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCCC1 ZINC000225706817 570606722 /nfs/dbraw/zinc/60/67/22/570606722.db2.gz LMSHLPWRFSZAAW-KDURUIRLSA-N 1 0 388.552 4.331 40 0 GIABRO CCOC1(C(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)CCCCCC1 ZINC000225711135 570607076 /nfs/dbraw/zinc/60/70/76/570607076.db2.gz AEBFAIPIMKZVMV-UHFFFAOYSA-N 1 0 376.541 4.475 40 0 GIABRO CCO[C@@]1(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCC[C@H](C)C1 ZINC000225714876 570607939 /nfs/dbraw/zinc/60/79/39/570607939.db2.gz NOOYQPZFNVJIFF-CVDCTZTESA-N 1 0 388.552 4.475 40 0 GIABRO CCCOc1cc2c(cc1C[N@H+](C)Cc1cc(=O)[nH]c3ccccc13)OCO2 ZINC000012188485 570621742 /nfs/dbraw/zinc/62/17/42/570621742.db2.gz UCSOTYBRAZVGJH-UHFFFAOYSA-N 1 0 380.444 4.090 40 0 GIABRO CC[C@@H](C[NH+]1CCCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 ZINC000012239830 570630110 /nfs/dbraw/zinc/63/01/10/570630110.db2.gz UNGUNQZVTACLJX-IBGZPJMESA-N 1 0 385.577 4.350 40 0 GIABRO CCOc1cc(C[N@@H+]2Cc3ccccc3OC3(CCOCC3)C2)ccc1OC ZINC000012275548 570631768 /nfs/dbraw/zinc/63/17/68/570631768.db2.gz KGUKTNODHKSLEW-UHFFFAOYSA-N 1 0 383.488 4.038 40 0 GIABRO COc1ccccc1C1(O)CC[NH+](C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000012292338 570633367 /nfs/dbraw/zinc/63/33/67/570633367.db2.gz PQPWQFOCVPWBHV-SFHVURJKSA-N 1 0 396.314 4.019 40 0 GIABRO O[C@H](C[NH+]1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc2ccccc2c1 ZINC000012293580 570633649 /nfs/dbraw/zinc/63/36/49/570633649.db2.gz GOQSFCPKIPESES-XZOQPEGZSA-N 1 0 389.495 4.224 40 0 GIABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2ccccc2N2CCCC2)CC1 ZINC000012292971 570633652 /nfs/dbraw/zinc/63/36/52/570633652.db2.gz JBQKMSTYLXJXHX-UHFFFAOYSA-N 1 0 395.522 4.053 40 0 GIABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2cccc(OC(C)C)c2)CC1 ZINC000012292911 570633891 /nfs/dbraw/zinc/63/38/91/570633891.db2.gz QSFLRZUAXGPVNO-UHFFFAOYSA-N 1 0 384.495 4.240 40 0 GIABRO CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872975 570637650 /nfs/dbraw/zinc/63/76/50/570637650.db2.gz OILQDRVPNWROMF-QFIPXVFZSA-N 1 0 380.532 4.373 40 0 GIABRO CCOc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044912506 570642843 /nfs/dbraw/zinc/64/28/43/570642843.db2.gz YLOHOZBUOHQMTB-LJQANCHMSA-N 1 0 386.923 4.267 40 0 GIABRO O=C(NCc1ccccc1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1 ZINC000004883111 570642838 /nfs/dbraw/zinc/64/28/38/570642838.db2.gz QPGICWBLGNPWNH-FRIKZZABSA-N 1 0 381.495 4.211 40 0 GIABRO CCOc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044912510 570642980 /nfs/dbraw/zinc/64/29/80/570642980.db2.gz YLOHOZBUOHQMTB-IBGZPJMESA-N 1 0 386.923 4.267 40 0 GIABRO COc1cc(C)c(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cc1OC ZINC000012345425 570645547 /nfs/dbraw/zinc/64/55/47/570645547.db2.gz FKCLYYIKCLJSPV-DETIRCLXSA-N 1 0 385.479 4.166 40 0 GIABRO CC(C)C(=O)N[C@@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000012408162 570654854 /nfs/dbraw/zinc/65/48/54/570654854.db2.gz BYPZFFWTYDTPIH-FUHWJXTLSA-N 1 0 375.513 4.008 40 0 GIABRO CCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260814512 570707697 /nfs/dbraw/zinc/70/76/97/570707697.db2.gz KCPIHDVEVSANOG-AVRDEDQJSA-N 1 0 376.541 4.331 40 0 GIABRO CCO[C@](C)(C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000260816927 570708637 /nfs/dbraw/zinc/70/86/37/570708637.db2.gz SCOHBCRROGAADD-MBSDFSHPSA-N 1 0 388.552 4.331 40 0 GIABRO CCO[C@@](C)(C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000260816923 570708740 /nfs/dbraw/zinc/70/87/40/570708740.db2.gz SCOHBCRROGAADD-FDDCHVKYSA-N 1 0 388.552 4.331 40 0 GIABRO COc1ccc(OC)c(CN(Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000013992688 570869060 /nfs/dbraw/zinc/86/90/60/570869060.db2.gz FTRHSCYWPXNJNY-UHFFFAOYSA-N 1 0 397.563 4.410 40 0 GIABRO Cc1cc(-c2cnc(NC3CC[NH+](Cc4ccccc4)CC3)nc2C2CC2)on1 ZINC000072340356 570880311 /nfs/dbraw/zinc/88/03/11/570880311.db2.gz FFYHXQYZSYVTIR-UHFFFAOYSA-N 1 0 389.503 4.394 40 0 GIABRO Cc1nc(CN2C(=O)CC[C@]23CCC[N@H+](CCc2ccccc2)CC3)cs1 ZINC000585100549 570924890 /nfs/dbraw/zinc/92/48/90/570924890.db2.gz NCECNUWTKVRNAW-QFIPXVFZSA-N 1 0 383.561 4.041 40 0 GIABRO CC(C)(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@@H]21 ZINC000585109481 570941553 /nfs/dbraw/zinc/94/15/53/570941553.db2.gz STKBMHXOBYBKBQ-FDFHNCONSA-N 1 0 396.506 4.137 40 0 GIABRO C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)C1 ZINC000012291307 818153026 /nfs/dbraw/zinc/15/30/26/818153026.db2.gz CIHOOYRCGOLJIW-UZUQRXQVSA-N 1 0 396.506 4.184 40 0 GIABRO COc1ccccc1/C=C/C[N@@H+]1C[C@@H](c2ccccc2)[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019712625 818602567 /nfs/dbraw/zinc/60/25/67/818602567.db2.gz AKWMKRCGNOIJTQ-QMEJWRAOSA-N 1 0 390.527 4.235 40 0 GIABRO Cc1nc([C@@H]2CCCC[N@@H+]2CC(C)(C)C)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019764417 818605108 /nfs/dbraw/zinc/60/51/08/818605108.db2.gz ANWGWOLWMCFTPM-FQEVSTJZSA-N 1 0 398.526 4.427 40 0 GIABRO CC[C@H](C)Nc1cc(N2CCc3ccc(Br)cc3C2)nc(C)[nH+]1 ZINC000329036958 206242013 /nfs/dbraw/zinc/24/20/13/206242013.db2.gz RLFQLEFGOODYJD-LBPRGKRZSA-N 1 0 375.314 4.321 40 0 GIABRO C[NH+]1CCN(Cc2ccc3oc(-c4cccc(Br)c4)nc3c2)CC1 ZINC000216840597 206254007 /nfs/dbraw/zinc/25/40/07/206254007.db2.gz KELQYUFPOHSXCS-UHFFFAOYSA-N 1 0 386.293 4.005 40 0 GIABRO CCOC(=O)c1cc(Cl)cnc1C1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000057773316 206278390 /nfs/dbraw/zinc/27/83/90/206278390.db2.gz AJAYOBDTEPUOCA-UHFFFAOYSA-N 1 0 388.895 4.300 40 0 GIABRO C[C@@H]1[C@@H](C(=O)NCc2ccc(F)cc2)CC=CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000057776471 206278791 /nfs/dbraw/zinc/27/87/91/206278791.db2.gz DWTQTSHIIBRXHY-BEFAXECRSA-N 1 0 388.433 4.187 40 0 GIABRO CCOC(=O)Nc1ccc2c(c1)N(C(=O)C[NH+](CC)CC)c1ccccc1CC2 ZINC000000599600 206307922 /nfs/dbraw/zinc/30/79/22/206307922.db2.gz AYQBYSPEGRYKFA-UHFFFAOYSA-N 1 0 395.503 4.360 40 0 in-vitro GIABRO CC1([NH2+]Cc2ccc(Cl)cc2)COP(=O)(NCc2ccccc2)OC1 ZINC000001686557 206389555 /nfs/dbraw/zinc/38/95/55/206389555.db2.gz PQFCDOVPKOMLKD-UHFFFAOYSA-N 1 0 380.812 4.133 40 0 GIABRO CC[NH+](CC)CCOC(=O)[C@](O)(c1ccccc1)c1c(C)c(C)cc(C)c1C ZINC000001710845 206390555 /nfs/dbraw/zinc/39/05/55/206390555.db2.gz ZTRLSOGNKWBEGF-DEOSSOPVSA-N 1 0 383.532 4.041 40 0 GIABRO CCC(=O)O[C@]1(c2ccccc2)CC[N@H+](CCC(=O)c2ccccc2)C[C@@H]1C ZINC000005046337 206587322 /nfs/dbraw/zinc/58/73/22/206587322.db2.gz MZORJBGOVRTVQW-YADARESESA-N 1 0 379.500 4.450 40 0 GIABRO COc1ccc(-c2ocnc2C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000012328888 206887810 /nfs/dbraw/zinc/88/78/10/206887810.db2.gz DAKKHYFOPYLCRU-UHFFFAOYSA-N 1 0 377.444 4.198 40 0 GIABRO Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc12 ZINC000016052239 207071837 /nfs/dbraw/zinc/07/18/37/207071837.db2.gz YWTBGJGMTBHQTM-IBGZPJMESA-N 1 0 397.482 4.363 40 0 in-vivo GIABRO CC(C)(C)[C@H]1CCc2onc(C(=O)N3CCCC[C@@H]3CC[NH+]3CCCC3)c2C1 ZINC000019082419 207103561 /nfs/dbraw/zinc/10/35/61/207103561.db2.gz VOYVVTFATHRADG-ZWKOTPCHSA-N 1 0 387.568 4.306 40 0 GIABRO COc1cc(C[NH2+][C@H](Cc2ccsc2)c2ncccc2C)cc2c1OCO2 ZINC000019237636 207112005 /nfs/dbraw/zinc/11/20/05/207112005.db2.gz QKFBXFCISPJMHI-QGZVFWFLSA-N 1 0 382.485 4.262 40 0 GIABRO CCc1noc(C)c1C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@@H+]2C ZINC000019521257 207126489 /nfs/dbraw/zinc/12/64/89/207126489.db2.gz DJRHRPNWTPXIIS-DWLFOUALSA-N 1 0 381.520 4.028 40 0 GIABRO CC(C)CC(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000019446688 207121542 /nfs/dbraw/zinc/12/15/42/207121542.db2.gz VZRBLQNPOUBTCJ-QHCPKHFHSA-N 1 0 383.511 4.336 40 0 GIABRO Cc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCC[N@H+](Cc2cnc(C)nc2)C1 ZINC000019568941 207136373 /nfs/dbraw/zinc/13/63/73/207136373.db2.gz DOGGOEDFMQCGRT-AWEZNQCLSA-N 1 0 391.397 4.028 40 0 GIABRO Cc1cc(C(=O)N2Cc3ccccc3OC3(CCC([NH+](C)C)CC3)C2)cs1 ZINC000019571951 207138656 /nfs/dbraw/zinc/13/86/56/207138656.db2.gz HHOPMJUYWBTUNA-UHFFFAOYSA-N 1 0 384.545 4.334 40 0 GIABRO CN(C)c1ncc(-c2ccncc2)c([C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000019585269 207140168 /nfs/dbraw/zinc/14/01/68/207140168.db2.gz JMZRJJGNYJEKRH-OAQYLSRUSA-N 1 0 391.494 4.471 40 0 GIABRO Cc1nc2sccn2c1CN1CC[C@H](c2ccccc2)[C@H]2[NH2+]CCCC[C@H]21 ZINC000019555076 207132510 /nfs/dbraw/zinc/13/25/10/207132510.db2.gz VUSQCNWAZPJFTC-SFHLNBCPSA-N 1 0 380.561 4.204 40 0 GIABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3ccc(Cc4cccc(F)c4)cn3)C2)cn1 ZINC000019690365 207147998 /nfs/dbraw/zinc/14/79/98/207147998.db2.gz DFDGZOIVBWFCOT-OAQYLSRUSA-N 1 0 378.495 4.408 40 0 GIABRO CCn1cc(C[N@@H+]2CCC[C@H](c3ccc(Cc4cccc(F)c4)cn3)C2)cn1 ZINC000019690366 207148501 /nfs/dbraw/zinc/14/85/01/207148501.db2.gz DFDGZOIVBWFCOT-NRFANRHFSA-N 1 0 378.495 4.408 40 0 GIABRO Cn1nccc1C[NH+]1CCC(c2ccc(Cc3cccc(Cl)c3)cn2)CC1 ZINC000019690533 207148881 /nfs/dbraw/zinc/14/88/81/207148881.db2.gz HVDYQWHPHXPVNR-UHFFFAOYSA-N 1 0 380.923 4.439 40 0 GIABRO CCn1cc(C[NH+]2CCC(c3ccc(Cc4ccccc4F)cn3)CC2)cn1 ZINC000019690486 207149093 /nfs/dbraw/zinc/14/90/93/207149093.db2.gz CTBFHOBSLPWDPI-UHFFFAOYSA-N 1 0 378.495 4.408 40 0 GIABRO C[N@@H+]1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1cc(C2CC2)on1 ZINC000019589102 207141734 /nfs/dbraw/zinc/14/17/34/207141734.db2.gz QISIFWXIRCROTG-DWLFOUALSA-N 1 0 379.504 4.035 40 0 GIABRO Cc1nn(-c2ccc(F)cc2)c(C)c1-c1cncn1C[C@@H](C)[NH+]1CCCCC1 ZINC000019719655 207155096 /nfs/dbraw/zinc/15/50/96/207155096.db2.gz APDLFQPYJGCACV-MRXNPFEDSA-N 1 0 381.499 4.366 40 0 GIABRO Cc1onc(-c2ccccc2Cl)c1C(=O)NC(C)(C)C[NH+]1CCCCC1 ZINC000019718254 207156188 /nfs/dbraw/zinc/15/61/88/207156188.db2.gz XHLXFCJEMJLIAU-UHFFFAOYSA-N 1 0 375.900 4.298 40 0 GIABRO Nc1ncnc2nc([C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc(C(F)(F)F)c12 ZINC000019743010 207158038 /nfs/dbraw/zinc/15/80/38/207158038.db2.gz RKYJKBCLEGVUDI-CQSZACIVSA-N 1 0 387.409 4.005 40 0 GIABRO COc1ccc(CN(C)C(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1OC ZINC000022519728 207255283 /nfs/dbraw/zinc/25/52/83/207255283.db2.gz WSWNSAPYJUAPNL-SFHVURJKSA-N 1 0 396.531 4.208 40 0 GIABRO COc1ccc(OC[C@@H](C)NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000022534249 207257089 /nfs/dbraw/zinc/25/70/89/207257089.db2.gz RRUNIJHZKSBPBY-LJQANCHMSA-N 1 0 396.531 4.124 40 0 GIABRO CC[C@H](Oc1cccc2ccccc21)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000030860393 207375443 /nfs/dbraw/zinc/37/54/43/207375443.db2.gz RJKRJCCYEZXSMZ-JQVVWYNYSA-N 1 0 382.548 4.481 40 0 GIABRO CC[C@H](Oc1cccc2ccccc21)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000030860405 207376272 /nfs/dbraw/zinc/37/62/72/207376272.db2.gz RJKRJCCYEZXSMZ-KNKQGSTJSA-N 1 0 382.548 4.481 40 0 GIABRO COc1ccc(CN(C)C(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000030946076 207376944 /nfs/dbraw/zinc/37/69/44/207376944.db2.gz UIXVSMGUANHGQP-IBGZPJMESA-N 1 0 386.923 4.219 40 0 GIABRO Cc1cccc(C[NH+]2CCC(C(=O)N[C@@H](C)COc3ccccc3C)CC2)c1 ZINC000044852549 207638021 /nfs/dbraw/zinc/63/80/21/207638021.db2.gz XJASJBMDSZIXFG-FQEVSTJZSA-N 1 0 380.532 4.099 40 0 GIABRO Cc1cc(C)c(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c(C)c1 ZINC000044874086 207640764 /nfs/dbraw/zinc/64/07/64/207640764.db2.gz XJJPQUSKEBEODJ-UHFFFAOYSA-N 1 0 386.561 4.076 40 0 GIABRO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2ccc(C(F)(F)F)c(F)c2)CC1 ZINC000067802739 207907463 /nfs/dbraw/zinc/90/74/63/207907463.db2.gz GOLDGQJYGBJKIT-UHFFFAOYSA-N 1 0 376.394 4.334 40 0 GIABRO OCc1ccc(-c2cncc([C@H]3CCC[N@H+](Cc4ccc5[nH]ccc5c4)C3)n2)cc1 ZINC000072359869 208002527 /nfs/dbraw/zinc/00/25/27/208002527.db2.gz MAHDIRSFGBEBMP-QFIPXVFZSA-N 1 0 398.510 4.497 40 0 GIABRO COc1ccc(CC[N@@H+]2CCC[C@@H]2c2cc(Nc3cnccn3)cc(C)n2)cc1 ZINC000072372523 208005379 /nfs/dbraw/zinc/00/53/79/208005379.db2.gz UAMUIJZBQZUMDU-JOCHJYFZSA-N 1 0 389.503 4.312 40 0 GIABRO COc1cc(C)ccc1C[N@@H+]1CCC[C@@H]1c1cccc(Nc2cnccn2)n1 ZINC000072375727 208007723 /nfs/dbraw/zinc/00/77/23/208007723.db2.gz TUWGNKZONCILCD-LJQANCHMSA-N 1 0 375.476 4.269 40 0 GIABRO Clc1ccccc1OCCc1cc([C@@H]2CC[N@H+](Cc3cccnc3)C2)[nH]n1 ZINC000072378125 208008773 /nfs/dbraw/zinc/00/87/73/208008773.db2.gz NFIVVNNHTDIBSQ-QGZVFWFLSA-N 1 0 382.895 4.069 40 0 GIABRO O=C(C[NH+]1CCCCCC1)N1CCC[C@H]1c1n[nH]cc1-c1cccc(Cl)c1 ZINC000072380347 208012653 /nfs/dbraw/zinc/01/26/53/208012653.db2.gz IIVJULYYEHTRQS-IBGZPJMESA-N 1 0 386.927 4.270 40 0 GIABRO CC(C)c1nc(-c2cc(C(=O)N3CCC([NH+](C)C)CC3)c3ccccn23)cs1 ZINC000096154832 208277879 /nfs/dbraw/zinc/27/78/79/208277879.db2.gz PVQNPOVUCCMGGH-UHFFFAOYSA-N 1 0 396.560 4.352 40 0 GIABRO COc1ccc(-c2nc(C3CC[NH+](CC4CC4)CC3)cc3c2ncn3C)cc1 ZINC000096155610 208278953 /nfs/dbraw/zinc/27/89/53/208278953.db2.gz WEAOCKGWZYZUBJ-UHFFFAOYSA-N 1 0 376.504 4.233 40 0 GIABRO Cc1ccc(C[NH+]2CCC3(CC2)NCCn2c(-c4ccccc4)cnc23)s1 ZINC000096037101 208255197 /nfs/dbraw/zinc/25/51/97/208255197.db2.gz PUPQSGVDZNSLFN-UHFFFAOYSA-N 1 0 378.545 4.015 40 0 GIABRO CN1CCn2c(-c3cccc(F)c3)cnc2C12CC[NH+](Cc1ccsc1)CC2 ZINC000096036961 208255787 /nfs/dbraw/zinc/25/57/87/208255787.db2.gz OKCXBVJYVHKTKB-UHFFFAOYSA-N 1 0 396.535 4.187 40 0 GIABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccoc3)CC2)Oc2ccccc21)NC1CCC1 ZINC000096053380 208258427 /nfs/dbraw/zinc/25/84/27/208258427.db2.gz WOGJFNDNPKHRBK-IBGZPJMESA-N 1 0 394.515 4.239 40 0 GIABRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@@H](CC(=O)NC(C)C)c2ccccc2O3)o1 ZINC000096053318 208259679 /nfs/dbraw/zinc/25/96/79/208259679.db2.gz HKUYVLPVSQAPID-LJQANCHMSA-N 1 0 396.531 4.404 40 0 GIABRO COc1ccc(C[NH+]2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)cc1 ZINC000096100275 208264251 /nfs/dbraw/zinc/26/42/51/208264251.db2.gz BRVHEBBFCGDFHL-HSZRJFAPSA-N 1 0 390.527 4.271 40 0 GIABRO CC(=O)N(C)Cc1cc([C@H]2CC[C@H](C[N@H+](C)Cc3cccc(C)c3)CC2)nn1C ZINC000100687637 208379538 /nfs/dbraw/zinc/37/95/38/208379538.db2.gz TYSCUGVXUSBVIP-GRGXKFILSA-N 1 0 396.579 4.113 40 0 GIABRO COc1ccc(-c2cnc3n2C[C@@H]2C[N@@H+](Cc4ccc(F)cc4)C[C@@H]2C3)cc1 ZINC000306136526 209104772 /nfs/dbraw/zinc/10/47/72/209104772.db2.gz PVZCCAZHIHVDPR-OALUTQOASA-N 1 0 377.463 4.002 40 0 GIABRO Fc1cccc(-c2ccc3nc([C@H]4CCC[N@H+](Cc5ccncc5)C4)nn3c2)c1 ZINC000306136670 209104738 /nfs/dbraw/zinc/10/47/38/209104738.db2.gz PZMRNTWOBAQDFQ-FQEVSTJZSA-N 1 0 387.462 4.310 40 0 GIABRO CC[NH+](CC)CCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 ZINC000192553347 208806736 /nfs/dbraw/zinc/80/67/36/208806736.db2.gz FHGRRMYWXJAMLA-UHFFFAOYSA-N 1 0 396.531 4.094 40 0 GIABRO CN(CCCNC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000219412972 208846608 /nfs/dbraw/zinc/84/66/08/208846608.db2.gz AKJXUKRYEKVOMG-UHFFFAOYSA-N 1 0 399.966 4.195 40 0 GIABRO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c(C)c1 ZINC000224527405 208928561 /nfs/dbraw/zinc/92/85/61/208928561.db2.gz YUPKXIXVJFIECJ-UHFFFAOYSA-N 1 0 380.532 4.019 40 0 GIABRO CCO[C@]1(C(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)CCC[C@H](C)C1 ZINC000225714651 208970757 /nfs/dbraw/zinc/97/07/57/208970757.db2.gz YWINJQFPQLDMKL-PGRDOPGGSA-N 1 0 376.541 4.331 40 0 GIABRO c1ccc(CNc2ccc3nc([C@@H]4CCC[N@H+](Cc5ccncc5)C4)nn3c2)cc1 ZINC000306124133 209096989 /nfs/dbraw/zinc/09/69/89/209096989.db2.gz BHAAEKGEOTTWKA-OAQYLSRUSA-N 1 0 398.514 4.116 40 0 GIABRO Cc1noc(C)c1-c1cc(C[C@H]2CCC[N@H+](Cc3nccs3)CC2)ncn1 ZINC000257218700 209057400 /nfs/dbraw/zinc/05/74/00/209057400.db2.gz DEEFWJLPOXCNDK-INIZCTEOSA-N 1 0 383.521 4.050 40 0 GIABRO O=C(C[NH+]1CCCCC1)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257247407 209059114 /nfs/dbraw/zinc/05/91/14/209059114.db2.gz IYXJXHBKVWEMDD-IBGZPJMESA-N 1 0 387.911 4.068 40 0 GIABRO Cc1cccc(C(=O)N2[C@H](Cc3ccccc3)[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[NH2+]3)n1 ZINC000257270665 209063775 /nfs/dbraw/zinc/06/37/75/209063775.db2.gz MVEAMRTXNLRTPD-XRTSLUGZSA-N 1 0 389.543 4.137 40 0 GIABRO Fc1ccc(-c2nsc3c2ncnc3N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000004894759 136194164 /nfs/dbraw/zinc/19/41/64/136194164.db2.gz LBJSVHXUMZJKLP-UHFFFAOYSA-N 1 0 397.523 4.347 40 0 GIABRO COc1ccc(CC[NH+]2CCC(c3cccc(Nc4cnccn4)n3)CC2)cc1 ZINC000257323375 209076956 /nfs/dbraw/zinc/07/69/56/209076956.db2.gz WJXKHGJGYQWTQG-UHFFFAOYSA-N 1 0 389.503 4.046 40 0 GIABRO CCn1ncc(C[N@@H+]2CCC[C@@H](c3cc(Nc4nccs4)cc(C)n3)C2)c1C ZINC000257340950 209078883 /nfs/dbraw/zinc/07/88/83/209078883.db2.gz ZIFXZZWDSGRJAI-QGZVFWFLSA-N 1 0 396.564 4.495 40 0 GIABRO O=C(C[NH+]1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1)N1CCCCC1 ZINC000072348707 222235457 /nfs/dbraw/zinc/23/54/57/222235457.db2.gz RVDNZGSOVOPFIF-UHFFFAOYSA-N 1 0 395.522 4.003 40 0 GIABRO C[N@@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(/C=C\S(=O)(=O)c3ccccc3)cc12 ZINC000095908751 222361074 /nfs/dbraw/zinc/36/10/74/222361074.db2.gz MJICWWOZPCLNBP-NJBZPOFQSA-N 1 0 380.513 4.249 40 0 GIABRO CC(C)CC[NH+]1CCC(O)(c2csc(CN3CCc4ccccc4C3)n2)CC1 ZINC000225473828 560043198 /nfs/dbraw/zinc/04/31/98/560043198.db2.gz YLJAVLDWMMMADN-UHFFFAOYSA-N 1 0 399.604 4.031 40 0 biogenic,in-vitro GIABRO CC1(C)[C@H](Cc2cc(C[NH+]3CCCCC3)on2)C[C@@H]1NC(=O)c1ccccc1 ZINC000067890109 560050120 /nfs/dbraw/zinc/05/01/20/560050120.db2.gz OLRWXIPDSVLEFU-NQIIRXRSSA-N 1 0 381.520 4.048 40 0 biogenic,in-vitro GIABRO CC1=C[C@@H](C[NH2+]C2CCN(C)CC2)[C@H](C(C)C)C[C@H]1Cc1nc2cccnc2[nH]1 ZINC000072320814 560077318 /nfs/dbraw/zinc/07/73/18/560077318.db2.gz KCWGKCAEYJRNSQ-ZJOUEHCJSA-N 1 0 395.595 4.039 40 0 biogenic,in-vitro GIABRO c1cc(-c2cncnc2)ncc1-c1noc([C@@H]2CCC[N@H+]2CC2CCCCC2)n1 ZINC000049155303 560083988 /nfs/dbraw/zinc/08/39/88/560083988.db2.gz DBZAVQJJAMQYPW-FQEVSTJZSA-N 1 0 390.491 4.306 40 0 biogenic,in-vitro GIABRO CC(=O)N1CCC[C@@]2(C)[C@@H]1CCCC[N@@H+]2C[C@@]1(O)CC[C@H](C(C)(C)C)CC1 ZINC000585282957 570250898 /nfs/dbraw/zinc/25/08/98/570250898.db2.gz KKXAGNVCAQQMGQ-BAMDZGJYSA-N 1 0 378.601 4.209 40 0 GIABRO CC(=O)N1CCC[C@H]([NH2+]CCc2ccc(C)c(C)c2)[C@@H]1Cc1ccc(C)cc1 ZINC000585284865 570254207 /nfs/dbraw/zinc/25/42/07/570254207.db2.gz IRCVTLIAEPPIRH-DQEYMECFSA-N 1 0 378.560 4.366 40 0 GIABRO Cc1ccccc1OC[C@]1(O)COCC[N@@H+]([C@H]2CC[C@H](c3ccccc3)CC2)C1 ZINC000585286679 570255561 /nfs/dbraw/zinc/25/55/61/570255561.db2.gz HORKSCRRVYRWPX-VDKIKQQVSA-N 1 0 395.543 4.164 40 0 GIABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216420 570317574 /nfs/dbraw/zinc/31/75/74/570317574.db2.gz IVYZDIOKVSMFRW-LJQANCHMSA-N 1 0 388.556 4.076 40 0 GIABRO COc1ccc(OCCc2cc([C@H]3CC[N@H+](Cc4ccc(F)cc4)C3)[nH]n2)cc1 ZINC000072371214 570339791 /nfs/dbraw/zinc/33/97/91/570339791.db2.gz GLHHNVNGMAPBES-SFHVURJKSA-N 1 0 395.478 4.168 40 0 GIABRO CN(CCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000219414523 570359812 /nfs/dbraw/zinc/35/98/12/570359812.db2.gz HNRUFUVATKVYGO-UHFFFAOYSA-N 1 0 399.966 4.195 40 0 GIABRO CCC[C@@H](c1nnnn1C(C)(C)C)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057669667 570367242 /nfs/dbraw/zinc/36/72/42/570367242.db2.gz RGYKUZCFPXITLU-KRWDZBQOSA-N 1 0 390.963 4.053 40 0 GIABRO O=C(Nc1nnc(-c2ccccc2)s1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000223086462 570442449 /nfs/dbraw/zinc/44/24/49/570442449.db2.gz IEPVSSLLOMGAQQ-UHFFFAOYSA-N 1 0 396.491 4.195 40 0 GIABRO Cc1ccc(CSCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000039752571 570447363 /nfs/dbraw/zinc/44/73/63/570447363.db2.gz FZFCLJHDAQSHIR-UHFFFAOYSA-N 1 0 382.573 4.257 40 0 GIABRO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+](C)C)c(C)n1C(C)C ZINC000223221763 570450744 /nfs/dbraw/zinc/45/07/44/570450744.db2.gz DWQLRNBIXJMGOX-LEWJYISDSA-N 1 0 399.608 4.005 40 0 GIABRO COc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000035311816 570467082 /nfs/dbraw/zinc/46/70/82/570467082.db2.gz SOHBNCFTBILAKK-IHWFROFDSA-N 1 0 379.504 4.402 40 0 GIABRO Cc1cccc(NC(=O)C[NH+]2CCC(n3cnc4cc(F)ccc43)CC2)c1C ZINC000035314255 570468564 /nfs/dbraw/zinc/46/85/64/570468564.db2.gz MTJSSXKTBXODPN-UHFFFAOYSA-N 1 0 380.467 4.068 40 0 GIABRO CC(C)Sc1nnc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)s1 ZINC000223494374 570468795 /nfs/dbraw/zinc/46/87/95/570468795.db2.gz NNESBMROBJNBGI-UHFFFAOYSA-N 1 0 394.541 4.028 40 0 GIABRO COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)C[N@@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000002408237 570481808 /nfs/dbraw/zinc/48/18/08/570481808.db2.gz YJXWJCJQGVJCGK-WNSKOXEYSA-N 1 0 397.519 4.102 40 0 GIABRO COc1ccc(CNc2[nH+]cc(-c3ccc(Cl)cc3)n2C)c(OC)c1OC ZINC000000819083 570485137 /nfs/dbraw/zinc/48/51/37/570485137.db2.gz HQECLVLVHAEBHG-UHFFFAOYSA-N 1 0 387.867 4.378 40 0 GIABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2nnc(SC(C)C)s2)CC1 ZINC000223895761 570489310 /nfs/dbraw/zinc/48/93/10/570489310.db2.gz GYUADPPSYKEKPB-UHFFFAOYSA-N 1 0 390.578 4.198 40 0 GIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCOc3ccccc3Cl)cc2)C1 ZINC000224333230 570509292 /nfs/dbraw/zinc/50/92/92/570509292.db2.gz OFCDHKIKRKQCEY-KRWDZBQOSA-N 1 0 386.923 4.381 40 0 GIABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3nnc(SC(C)C)s3)CC2)c1 ZINC000224390590 570511630 /nfs/dbraw/zinc/51/16/30/570511630.db2.gz QPHIQVIEPLBMBI-UHFFFAOYSA-N 1 0 390.578 4.198 40 0 GIABRO CC(C)(C)c1ccc(OCC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000008011831 570520478 /nfs/dbraw/zinc/52/04/78/570520478.db2.gz GFNIJADPPNNVLV-UHFFFAOYSA-N 1 0 380.532 4.275 40 0 GIABRO CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224788363 570530762 /nfs/dbraw/zinc/53/07/62/570530762.db2.gz AHUBJNAWZXPIDU-QFIPXVFZSA-N 1 0 380.532 4.373 40 0 GIABRO CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224800662 570531286 /nfs/dbraw/zinc/53/12/86/570531286.db2.gz FIBLDXGYTYAREH-JOCHJYFZSA-N 1 0 380.532 4.373 40 0 GIABRO Cc1cc(C)c(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)c(C)c1 ZINC000224819900 570532332 /nfs/dbraw/zinc/53/23/32/570532332.db2.gz WUKFBCMBXSIBQK-UHFFFAOYSA-N 1 0 386.561 4.076 40 0 GIABRO Cc1cc(C)cc(O[C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000224840555 570533440 /nfs/dbraw/zinc/53/34/40/570533440.db2.gz WJEHUJYBRQVNFR-HXUWFJFHSA-N 1 0 380.532 4.373 40 0 GIABRO COc1ccc(CCC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1C ZINC000224851464 570534151 /nfs/dbraw/zinc/53/41/51/570534151.db2.gz OQWHLJPANKUCJD-UHFFFAOYSA-N 1 0 380.532 4.239 40 0 GIABRO O=C(CSCc1ccccc1F)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224849381 570534212 /nfs/dbraw/zinc/53/42/12/570534212.db2.gz CMDSTGAIJAILJS-UHFFFAOYSA-N 1 0 386.536 4.361 40 0 GIABRO COc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000224901470 570537382 /nfs/dbraw/zinc/53/73/82/570537382.db2.gz BWKKLAYKTFBJSC-SJLPKXTDSA-N 1 0 386.923 4.438 40 0 GIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2)C1 ZINC000225002828 570542498 /nfs/dbraw/zinc/54/24/98/570542498.db2.gz WWJQMEFHLXSRKE-LJQANCHMSA-N 1 0 393.531 4.007 40 0 GIABRO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cc[nH+]cc2)N1C1CCCC1 ZINC000225008418 570543046 /nfs/dbraw/zinc/54/30/46/570543046.db2.gz UNDOXZXZNXCDMJ-LEWJYISDSA-N 1 0 389.528 4.182 40 0 GIABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(OC)c(C)c1 ZINC000225016889 570543727 /nfs/dbraw/zinc/54/37/27/570543727.db2.gz WWEKGSCXPZHOEI-QFIPXVFZSA-N 1 0 380.532 4.483 40 0 GIABRO CCOC(=O)C1=C(C)Nc2[nH+]c3c(c(N)c2[C@@H]1c1ccc(F)cc1)CCCC3 ZINC000035079600 570549289 /nfs/dbraw/zinc/54/92/89/570549289.db2.gz RDDFBAPIHCKOCC-GOSISDBHSA-N 1 0 381.451 4.076 40 0 GIABRO Cc1cc2c(cc1CN(Cc1ccccn1)C1CC(C)(C)[NH2+]C(C)(C)C1)OCO2 ZINC000036740516 570569197 /nfs/dbraw/zinc/56/91/97/570569197.db2.gz LRNARSVGYXWWJU-UHFFFAOYSA-N 1 0 395.547 4.430 40 0 GIABRO C[C@H]1CCC[N@H+](C[C@H](O)c2ccc3c(c2)CCCN3C(=O)c2cccc(F)c2)C1 ZINC000036741239 570569468 /nfs/dbraw/zinc/56/94/68/570569468.db2.gz MVOVWXSJTIPYQX-SBUREZEXSA-N 1 0 396.506 4.184 40 0 GIABRO COc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccc(C)cc2)cc1 ZINC000001377650 570582134 /nfs/dbraw/zinc/58/21/34/570582134.db2.gz YHIRNVRDJPVQOX-FRIKZZABSA-N 1 0 378.516 4.319 40 0 GIABRO COc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c(OC)c1 ZINC000038834637 570585894 /nfs/dbraw/zinc/58/58/94/570585894.db2.gz LLNYQYIQPIFVEO-INIZCTEOSA-N 1 0 388.895 4.208 40 0 GIABRO COc1ccc(OC)c(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000038834762 570586491 /nfs/dbraw/zinc/58/64/91/570586491.db2.gz MJHNNPGKCBPEGG-INIZCTEOSA-N 1 0 388.895 4.208 40 0 GIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cccc(Br)c1 ZINC000225580656 570590974 /nfs/dbraw/zinc/59/09/74/570590974.db2.gz MAOODCIUJXMZBY-MRXNPFEDSA-N 1 0 384.387 4.390 40 0 GIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(OC)c2ncccc12 ZINC000225585316 570591302 /nfs/dbraw/zinc/59/13/02/570591302.db2.gz OMONVWKBQIEJKX-INIZCTEOSA-N 1 0 386.565 4.184 40 0 GIABRO C[C@H]1CCC[N@H+](CCCOc2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)C1 ZINC000225590488 570591820 /nfs/dbraw/zinc/59/18/20/570591820.db2.gz JCIGPLZFHCHUTJ-ZDUSSCGKSA-N 1 0 393.742 4.496 40 0 GIABRO CO[C@]1(C(=O)Nc2ccc(OCC[NH+]3CCC(C)CC3)cc2)CCC[C@@H](C)C1 ZINC000225635381 570596695 /nfs/dbraw/zinc/59/66/95/570596695.db2.gz CBQJPURPEFSDTG-AUSIDOKSSA-N 1 0 388.552 4.331 40 0 GIABRO CO[C@@]1(C(=O)Nc2ccc(OCCC[NH+]3CCCCC3)cc2)CCC[C@@H](C)C1 ZINC000225636299 570597000 /nfs/dbraw/zinc/59/70/00/570597000.db2.gz FMZGUASSJJPGDG-XXBNENTESA-N 1 0 388.552 4.475 40 0 GIABRO CCO[C@@](C)(CC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225651168 570598211 /nfs/dbraw/zinc/59/82/11/570598211.db2.gz BCLYDPKAXVCNFX-AVRDEDQJSA-N 1 0 376.541 4.474 40 0 GIABRO CCCOC1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCCC1 ZINC000225654761 570598532 /nfs/dbraw/zinc/59/85/32/570598532.db2.gz KRJFFAVJTJSKCW-LJQANCHMSA-N 1 0 388.552 4.475 40 0 GIABRO CCCOC1(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CCCCCC1 ZINC000225659616 570599245 /nfs/dbraw/zinc/59/92/45/570599245.db2.gz LJJKQZRYSWYAGJ-UHFFFAOYSA-N 1 0 376.541 4.475 40 0 GIABRO CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225693332 570604266 /nfs/dbraw/zinc/60/42/66/570604266.db2.gz XNHPELLVBJZXHM-QFIPXVFZSA-N 1 0 376.541 4.475 40 0 GIABRO CCOC1(C(=O)Nc2ccc(OCCC[NH+](CC)CC)cc2)CCCCC1 ZINC000225709395 570607117 /nfs/dbraw/zinc/60/71/17/570607117.db2.gz UPTKTMLVYKOWGX-UHFFFAOYSA-N 1 0 376.541 4.475 40 0 GIABRO CCO[C@](C)(C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000225724296 570609062 /nfs/dbraw/zinc/60/90/62/570609062.db2.gz LGMVHJPGLDJGPJ-MBSDFSHPSA-N 1 0 388.552 4.474 40 0 GIABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=S)Nc2ccc(Br)cc2)C1 ZINC000225726949 570609251 /nfs/dbraw/zinc/60/92/51/570609251.db2.gz STZXYVIICJINEN-ZIAGYGMSSA-N 1 0 384.387 4.104 40 0 GIABRO CCCOC(C)(C)C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225727193 570609580 /nfs/dbraw/zinc/60/95/80/570609580.db2.gz ADUSDHAAIINLTF-HDICACEKSA-N 1 0 376.541 4.187 40 0 GIABRO CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225730608 570610101 /nfs/dbraw/zinc/61/01/01/570610101.db2.gz GDNFQQFDXCKMSH-QFIPXVFZSA-N 1 0 376.541 4.475 40 0 GIABRO O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000012116073 570610975 /nfs/dbraw/zinc/61/09/75/570610975.db2.gz FSDIDLVMMIDKCT-LJQANCHMSA-N 1 0 378.476 4.119 40 0 GIABRO CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225739071 570611622 /nfs/dbraw/zinc/61/16/22/570611622.db2.gz FIIKWNONSBFRGH-QFIPXVFZSA-N 1 0 376.541 4.475 40 0 GIABRO CC(C)C(=O)N[C@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012183321 570619764 /nfs/dbraw/zinc/61/97/64/570619764.db2.gz FCNURHAGHGRJLO-WMZOPIPTSA-N 1 0 375.513 4.008 40 0 GIABRO COc1ccc(OCC[N@H+](C)Cc2c3cccnc3[nH]c2-c2ccco2)cc1 ZINC000012222419 570627931 /nfs/dbraw/zinc/62/79/31/570627931.db2.gz MQRUHCSIAPSAOC-UHFFFAOYSA-N 1 0 377.444 4.342 40 0 GIABRO CCOc1ccc(C[N@@H+]2Cc3ccccc3OC3(CCOCC3)C2)cc1OC ZINC000012275961 570631911 /nfs/dbraw/zinc/63/19/11/570631911.db2.gz AAYDPVVFCTUZRD-UHFFFAOYSA-N 1 0 383.488 4.038 40 0 GIABRO CCC(=O)N1CCCc2cc([C@H](O)C[N@H+]3CC=C(c4ccccc4)CC3)ccc21 ZINC000012291597 570633340 /nfs/dbraw/zinc/63/33/40/570633340.db2.gz OOEKHCDGDSZTSQ-XMMPIXPASA-N 1 0 390.527 4.199 40 0 GIABRO Cc1cc(C)cc(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000044875440 570638159 /nfs/dbraw/zinc/63/81/59/570638159.db2.gz IWANPJYRWNCAEY-HXUWFJFHSA-N 1 0 380.532 4.373 40 0 GIABRO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c(C)c1 ZINC000044912142 570642984 /nfs/dbraw/zinc/64/29/84/570642984.db2.gz CPORPVHWTXBCQY-UHFFFAOYSA-N 1 0 398.478 4.162 40 0 GIABRO Cc1nccc(-c2cccc(-c3noc(C[NH+]4C[C@H]5CCCC[C@@H]5C4)n3)c2)n1 ZINC000012337249 570644682 /nfs/dbraw/zinc/64/46/82/570644682.db2.gz QPTHWYBEJNJWGN-RTBURBONSA-N 1 0 375.476 4.124 40 0 GIABRO Cc1cnc(-c2nc(C3CC[NH+](Cc4cccc(OC(C)C)c4)CC3)no2)cn1 ZINC000012337383 570644720 /nfs/dbraw/zinc/64/47/20/570644720.db2.gz PZZPHTCIJBVRPB-UHFFFAOYSA-N 1 0 393.491 4.002 40 0 GIABRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063563 570773708 /nfs/dbraw/zinc/77/37/08/570773708.db2.gz DJJWYAHKSMRMNF-UHFFFAOYSA-N 1 0 391.284 4.439 40 0 GIABRO CC[NH+](CC)c1ccc(NCc2cc3cc4c(cc3[nH]c2=O)OCO4)c(C)c1 ZINC000013086678 570821418 /nfs/dbraw/zinc/82/14/18/570821418.db2.gz PYQNMNWAVHPGRD-UHFFFAOYSA-N 1 0 379.460 4.024 40 0 GIABRO COC(=O)c1ccc(CN(Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000013992650 570868940 /nfs/dbraw/zinc/86/89/40/570868940.db2.gz CFZCDPUPABJPII-UHFFFAOYSA-N 1 0 395.547 4.180 40 0 GIABRO COc1cc(CN(Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)ccc1O ZINC000013992676 570869054 /nfs/dbraw/zinc/86/90/54/570869054.db2.gz ZHGKCDCBWWUTTM-UHFFFAOYSA-N 1 0 383.536 4.107 40 0 GIABRO CO[C@H]1CC[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCC[N@@H+]3C)CC1 ZINC000257279026 570900513 /nfs/dbraw/zinc/90/05/13/570900513.db2.gz OERNFMXZHGIVTM-FADBTOOJSA-N 1 0 384.564 4.061 40 0 GIABRO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3C[C@H]3CCCO3)CC2)cc1 ZINC000585099837 570925651 /nfs/dbraw/zinc/92/56/51/570925651.db2.gz GJLMEKIAPBEFDX-ISKFKSNPSA-N 1 0 384.564 4.336 40 0 GIABRO Cc1ccccc1C[NH+]1CCC(Cc2cccc(-c3ccncc3)c2)(C(N)=O)CC1 ZINC000585166511 570994601 /nfs/dbraw/zinc/99/46/01/570994601.db2.gz YLPDPPKYVUADIG-UHFFFAOYSA-N 1 0 399.538 4.367 40 0 GIABRO O=c1ccc(-c2ccccc2F)c2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cccs2)C1 ZINC000020503413 575369895 /nfs/dbraw/zinc/36/98/95/575369895.db2.gz AVPRDEWBVWWKPS-JKSUJKDBSA-N 1 0 380.488 4.335 40 0 biogenic,in-vitro GIABRO Cc1[nH]c2cc(C)ccc2c1[C@H](O)C[N@@H+]1CCC[C@@](O)(c2ccc(F)cc2)CC1 ZINC000012251883 818149633 /nfs/dbraw/zinc/14/96/33/818149633.db2.gz IDAUMPJXIODEOO-VWNXMTODSA-N 1 0 396.506 4.331 40 0 GIABRO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H]([C@@H](NC(=O)C2CC2)c2ccccn2)C1 ZINC000019014380 818584834 /nfs/dbraw/zinc/58/48/34/818584834.db2.gz PJTRSEHMOFUPPA-RWTLANGKSA-N 1 0 389.543 4.464 40 0 GIABRO CCCc1cc(C(=O)N(CC)[C@H]2CCO[C@@H](c3ccc(C[NH+](C)C)cc3)C2)no1 ZINC000019711619 818601575 /nfs/dbraw/zinc/60/15/75/818601575.db2.gz PHUBBFQIJPTZQU-SIKLNZKXSA-N 1 0 399.535 4.071 40 0 GIABRO O=C1CCCC[C@@H]2[C@H](C[C@@H](Cc3cccc(F)c3)[N@H+]2CCc2ccccc2)N1 ZINC000019713909 818603437 /nfs/dbraw/zinc/60/34/37/818603437.db2.gz PVJXQQZRPALWHW-XPWALMASSA-N 1 0 380.507 4.113 40 0 GIABRO Cc1nc([C@H]2CCCC[N@@H+]2CC(C)(C)C)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019764419 818604879 /nfs/dbraw/zinc/60/48/79/818604879.db2.gz ANWGWOLWMCFTPM-HXUWFJFHSA-N 1 0 398.526 4.427 40 0 GIABRO COc1ccc(OC[C@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000036067521 821067953 /nfs/dbraw/zinc/06/79/53/821067953.db2.gz SEGWARJBIPNQCT-OALUTQOASA-N 1 0 396.531 4.124 40 0 GIABRO Cc1ncsc1-c1nnc([C@H]2CCC[N@H+](Cc3cccc4cccnc43)C2)o1 ZINC000019562829 210262909 /nfs/dbraw/zinc/26/29/09/210262909.db2.gz HXXJIAKIWZPSKT-KRWDZBQOSA-N 1 0 391.500 4.429 40 0 GIABRO COc1ccc(C[N@@H+](Cc2ccc(N3CCCC3=O)cc2)C[C@@H]2CCCO2)cc1 ZINC000019554751 210261216 /nfs/dbraw/zinc/26/12/16/210261216.db2.gz UUFCLNRMRYTSHF-QHCPKHFHSA-N 1 0 394.515 4.003 40 0 GIABRO CCN(C[C@@H]1OCCc2ccccc21)C(=O)c1cc(C[NH+]2CCCCC2)c(C)o1 ZINC000019526565 210257097 /nfs/dbraw/zinc/25/70/97/210257097.db2.gz FZXMJAWGLPCUQN-QHCPKHFHSA-N 1 0 396.531 4.350 40 0 GIABRO CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CC[N@@H+](CC[C@@H](C)c1ccccc1)C2 ZINC000019455717 210251175 /nfs/dbraw/zinc/25/11/75/210251175.db2.gz HFGXBFDUGQTWPA-JPYJTQIMSA-N 1 0 392.547 4.102 40 0 GIABRO O=C(c1ccncc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](C3CCCC3)CC[C@@H]21 ZINC000019404997 210249619 /nfs/dbraw/zinc/24/96/19/210249619.db2.gz NRTXEFCCJJHKFC-ACRUOGEOSA-N 1 0 381.545 4.016 40 0 GIABRO COc1ccccc1C[NH+]1CCC([C@@H](NC(=O)CC(C)C)c2ccccn2)CC1 ZINC000019446704 210249162 /nfs/dbraw/zinc/24/91/62/210249162.db2.gz HDRWJRMWSHECFX-XMMPIXPASA-N 1 0 395.547 4.206 40 0 GIABRO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)C1CCC1 ZINC000019400682 210247576 /nfs/dbraw/zinc/24/75/76/210247576.db2.gz IXYRYDKJMXXDGB-PGRDOPGGSA-N 1 0 399.485 4.229 40 0 GIABRO O=C(c1cccc(Br)c1)N1CCC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408607347 231077244 /nfs/dbraw/zinc/07/72/44/231077244.db2.gz LDTHLYVYXLFJNL-HXUWFJFHSA-N 1 0 399.332 4.112 40 0 GIABRO O=C(c1cc([C@@H]2CCC[N@H+](Cc3cccc4ccccc43)C2)no1)N1CCCC1 ZINC000019376377 210247013 /nfs/dbraw/zinc/24/70/13/210247013.db2.gz LBPXTVTZIIIFFX-HXUWFJFHSA-N 1 0 389.499 4.443 40 0 GIABRO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)C1CCC1 ZINC000019400542 210245485 /nfs/dbraw/zinc/24/54/85/210245485.db2.gz HKHIBFGKJVGZOA-PGRDOPGGSA-N 1 0 399.485 4.229 40 0 GIABRO O=C(C1CC1)N1CCC2(CC1)C[N@H+](Cc1ccccc1)C[C@@H](c1ccccc1)O2 ZINC000019371691 210245376 /nfs/dbraw/zinc/24/53/76/210245376.db2.gz CRVLPGWQWPGBBZ-QHCPKHFHSA-N 1 0 390.527 4.031 40 0 GIABRO [NH3+][C@@H]1CCc2nc(-c3cccnc3)nc(Nc3ccc(C(F)(F)F)cc3)c2C1 ZINC000019341114 210242025 /nfs/dbraw/zinc/24/20/25/210242025.db2.gz JAGFAOYIWPZQBX-CQSZACIVSA-N 1 0 385.393 4.117 40 0 GIABRO COc1ccc(C)cc1C[N@@H+]1CCCC[C@H]1c1cc(=O)[nH]c(-c2ccncc2)n1 ZINC000019133505 210228051 /nfs/dbraw/zinc/22/80/51/210228051.db2.gz IQVODKWEDXLLNX-FQEVSTJZSA-N 1 0 390.487 4.288 40 0 GIABRO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000019081809 210225830 /nfs/dbraw/zinc/22/58/30/210225830.db2.gz NMKJASKBDHFFJL-IFMALSPDSA-N 1 0 379.548 4.240 40 0 GIABRO CC(C)(C)c1cn2cccc(CC3(O)CC[NH+](Cc4ccccc4)CC3)c2n1 ZINC000019084587 210225953 /nfs/dbraw/zinc/22/59/53/210225953.db2.gz JWHZPKJVOCWNNP-UHFFFAOYSA-N 1 0 377.532 4.201 40 0 GIABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1 ZINC000019081881 210225797 /nfs/dbraw/zinc/22/57/97/210225797.db2.gz PLQGSVHFEFTNAQ-SIKLNZKXSA-N 1 0 395.547 4.206 40 0 GIABRO Cn1ccnc1-c1nc(NCC(C)(C)C[NH+](C)C)ncc1-c1cccc(Cl)c1 ZINC000019085022 210225271 /nfs/dbraw/zinc/22/52/71/210225271.db2.gz GPVSEEHMEDYPRH-UHFFFAOYSA-N 1 0 398.942 4.197 40 0 GIABRO Cc1ccccc1OC[C@H](O)C[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000016758602 210196745 /nfs/dbraw/zinc/19/67/45/210196745.db2.gz OPHXZCSVOYFKQV-XMMPIXPASA-N 1 0 375.512 4.480 40 0 GIABRO O=S(=O)(NCc1ccccc1C[NH+]1CCCCC1)c1ccc2ccccc2c1 ZINC000015360748 210156686 /nfs/dbraw/zinc/15/66/86/210156686.db2.gz TVRJPGKIRWSMQG-UHFFFAOYSA-N 1 0 394.540 4.304 40 0 GIABRO CCC[NH2+]Cc1ccc(Oc2cnn(-c3ccccc3)c(=O)c2Cl)c(OC)c1 ZINC000036612629 210154474 /nfs/dbraw/zinc/15/44/74/210154474.db2.gz MMMYJFGQYLHWMM-UHFFFAOYSA-N 1 0 399.878 4.186 40 0 GIABRO Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000013682324 210079332 /nfs/dbraw/zinc/07/93/32/210079332.db2.gz HFVPFUBVZNDCKF-UHFFFAOYSA-N 1 0 397.950 4.207 40 0 GIABRO Cc1ccsc1C[N@@H+]1CCC[C@H](c2nc3ccc(N4CCCC4)cn3n2)C1 ZINC000306141336 212055965 /nfs/dbraw/zinc/05/59/65/212055965.db2.gz VSMHMZXSNJPWPD-KRWDZBQOSA-N 1 0 381.549 4.079 40 0 GIABRO c1csc(C[N@@H+]2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306133999 212051837 /nfs/dbraw/zinc/05/18/37/212051837.db2.gz NBKZYTRYLIXLLK-GOSISDBHSA-N 1 0 375.501 4.232 40 0 GIABRO Clc1cccc(C[N@@H+]2CC[C@@]3(CN(Cc4cccnc4)c4cccnc43)C2)c1 ZINC000306134465 212051137 /nfs/dbraw/zinc/05/11/37/212051137.db2.gz NOKTUTBOWGBUJM-QHCPKHFHSA-N 1 0 390.918 4.294 40 0 GIABRO CCOC(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)cc1)C[N@@H+]2Cc1ccccc1 ZINC000257291338 212017743 /nfs/dbraw/zinc/01/77/43/212017743.db2.gz QGOIIWIDHGIZKO-DNVJHFABSA-N 1 0 394.515 4.142 40 0 GIABRO Cc1ccc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)c4cnccn4)C3)c2)cc1 ZINC000257275011 212015791 /nfs/dbraw/zinc/01/57/91/212015791.db2.gz NNPDFPYKIMEIIQ-SFHVURJKSA-N 1 0 387.487 4.252 40 0 GIABRO CC[C@H](C)Nc1cc(N2CCc3cc(OC)c(OC)cc3C2)nc(C(C)C)[nH+]1 ZINC000329057301 209159689 /nfs/dbraw/zinc/15/96/89/209159689.db2.gz VXHUCQIOAXMWKY-HNNXBMFYSA-N 1 0 384.524 4.390 40 0 GIABRO Cc1noc(C)c1-c1cc(C[C@H]2CC[N@H+](Cc3ccc4ccccc4n3)C2)ncn1 ZINC000257242489 212008775 /nfs/dbraw/zinc/00/87/75/212008775.db2.gz ICTNMLBAVFNKJU-GOSISDBHSA-N 1 0 399.498 4.361 40 0 GIABRO C[NH+](C)Cc1cccc(-c2cccnc2C(=O)NCc2ccc(Cl)cc2)c1 ZINC000257231229 212007811 /nfs/dbraw/zinc/00/78/11/212007811.db2.gz GFWCBQXXUSNIEN-UHFFFAOYSA-N 1 0 379.891 4.394 40 0 GIABRO O=C(C[NH+]1CCCCCC1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2F)o1 ZINC000257213420 212002626 /nfs/dbraw/zinc/00/26/26/212002626.db2.gz CHMWIPOCDUXMRW-OAQYLSRUSA-N 1 0 399.510 4.334 40 0 GIABRO Cc1cc(Nc2cc(-c3cccnc3)nc(NCC[NH+](C)C)n2)ccc1C(C)C ZINC000329007169 209155448 /nfs/dbraw/zinc/15/54/48/209155448.db2.gz LHMZUVNWWJMEHJ-UHFFFAOYSA-N 1 0 390.535 4.109 40 0 GIABRO CC[C@@H](C)Nc1nc(N2CCc3cc(C(C)(C)O)ccc3C2)cc(C(C)C)[nH+]1 ZINC000328961934 209154931 /nfs/dbraw/zinc/15/49/31/209154931.db2.gz BFKWARCVVPIGMM-MRXNPFEDSA-N 1 0 382.552 4.022 40 0 GIABRO CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224683312 211869824 /nfs/dbraw/zinc/86/98/24/211869824.db2.gz BVVGLAGEHVLJJU-HSZRJFAPSA-N 1 0 396.531 4.155 40 0 GIABRO CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000224515801 211865295 /nfs/dbraw/zinc/86/52/95/211865295.db2.gz CRUQYLKMMDJZBY-QHCPKHFHSA-N 1 0 380.532 4.373 40 0 GIABRO Fc1cccc(-c2ccc3nc(C4CC[NH+](Cc5ccccn5)CC4)nn3c2)c1 ZINC000096155765 211314133 /nfs/dbraw/zinc/31/41/33/211314133.db2.gz DIDMTTBQXIPWPC-UHFFFAOYSA-N 1 0 387.462 4.310 40 0 GIABRO COc1cccc(CC(=O)N2Cc3ccccc3C3(CC[NH+](C(C)C)CC3)C2)c1 ZINC000096242412 211323270 /nfs/dbraw/zinc/32/32/70/211323270.db2.gz YXMAHBRAFCLAAC-UHFFFAOYSA-N 1 0 392.543 4.022 40 0 GIABRO Cc1ccc(C[NH+]2CCC(c3cc4c(ncn4C)c(-c4cccnc4)n3)CC2)o1 ZINC000096099946 211303104 /nfs/dbraw/zinc/30/31/04/211303104.db2.gz JJUIUVOKBSBTQI-UHFFFAOYSA-N 1 0 387.487 4.311 40 0 GIABRO Cn1cnc2c1cc(C1CC[NH+](Cc3ccsc3)CC1)nc2-c1cccnc1 ZINC000096099943 211302568 /nfs/dbraw/zinc/30/25/68/211302568.db2.gz JSIWFQWQNRJKHM-UHFFFAOYSA-N 1 0 389.528 4.471 40 0 GIABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccoc3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053088 211297846 /nfs/dbraw/zinc/29/78/46/211297846.db2.gz KTGWTPBKIWOVKL-FQEVSTJZSA-N 1 0 394.515 4.097 40 0 GIABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccccn3)CC2)c2ccccc21)NC1CCC1 ZINC000096052763 211297297 /nfs/dbraw/zinc/29/72/97/211297297.db2.gz BDGDWUAWUUPEAS-LJQANCHMSA-N 1 0 389.543 4.162 40 0 GIABRO COc1ccc(C[NH+]2CCC3(C[C@@H](CC(=O)N(C)C)c4ccccc43)CC2)cc1 ZINC000096052711 211296957 /nfs/dbraw/zinc/29/69/57/211296957.db2.gz HRILAWBCGYVASJ-HXUWFJFHSA-N 1 0 392.543 4.195 40 0 GIABRO CCn1ccnc1C[N@@H+]1CCCCC[C@@H]1Cc1c2ccccc2sc1C(N)=O ZINC000072370699 211102815 /nfs/dbraw/zinc/10/28/15/211102815.db2.gz ZKSJAYCYMMHYBL-MRXNPFEDSA-N 1 0 396.560 4.204 40 0 GIABRO FC(F)(F)c1ccccc1OCCc1cc([C@@H]2CC[N@H+](CC3CC3)C2)[nH]n1 ZINC000072371299 211102644 /nfs/dbraw/zinc/10/26/44/211102644.db2.gz MHSXHWOVWKFKBX-OAHLLOKOSA-N 1 0 379.426 4.249 40 0 GIABRO Cc1ccc(-c2cc(C[C@@]3(C(=O)N(C)C)CCC[N@@H+](CC(C)C)C3)on2)cc1 ZINC000072395929 211111041 /nfs/dbraw/zinc/11/10/41/211111041.db2.gz OWYVEDDWXQWMQC-QHCPKHFHSA-N 1 0 383.536 4.019 40 0 GIABRO CCNC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@@H+](C2CCCC2)C1 ZINC000072395919 211110829 /nfs/dbraw/zinc/11/08/29/211110829.db2.gz RHJVZYPXSYYEAC-XMMPIXPASA-N 1 0 395.547 4.353 40 0 GIABRO Clc1ccc(C[N@@H+]2CCC[C@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 ZINC000072377608 211106234 /nfs/dbraw/zinc/10/62/34/211106234.db2.gz MKDVYAXYKMMTSF-INIZCTEOSA-N 1 0 380.883 4.043 40 0 GIABRO Cc1cc(Nc2ncccn2)cc([C@H]2CCCN(C(=O)CC3CCCC3)C2)[nH+]1 ZINC000072374924 211104170 /nfs/dbraw/zinc/10/41/70/211104170.db2.gz ABNZWVKQOAJMJI-SFHVURJKSA-N 1 0 379.508 4.210 40 0 GIABRO COc1ccc(C[N@@H+]2CCC[C@H](c3nc(N)ncc3-c3cccc(F)c3)C2)cc1 ZINC000072345904 211094798 /nfs/dbraw/zinc/09/47/98/211094798.db2.gz BJRWAJUYOOKKMF-SFHVURJKSA-N 1 0 392.478 4.253 40 0 GIABRO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCC[N@H+](CCc3ccccc3)C2)n1 ZINC000072345925 211094617 /nfs/dbraw/zinc/09/46/17/211094617.db2.gz YGVOTNAVRQLMTM-LJQANCHMSA-N 1 0 376.479 4.287 40 0 GIABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc(N)ncc3-c3cccc(F)c3)C2)cc1 ZINC000072345905 211094652 /nfs/dbraw/zinc/09/46/52/211094652.db2.gz BJRWAJUYOOKKMF-GOSISDBHSA-N 1 0 392.478 4.253 40 0 GIABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2cc(Cc3ccccc3)cc(C)n2)C1 ZINC000072353809 211098563 /nfs/dbraw/zinc/09/85/63/211098563.db2.gz YMVQLPQBKFDUGL-JOCHJYFZSA-N 1 0 379.548 4.029 40 0 GIABRO Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCC[N@@H+]2Cc2ccncc2)n1 ZINC000072354661 211097953 /nfs/dbraw/zinc/09/79/53/211097953.db2.gz YRSCOIJVBFBCDP-GOSISDBHSA-N 1 0 399.420 4.477 40 0 GIABRO O=C(C1CCCCC1)N1CC[N@H+](Cc2ccccc2)C[C@H](Cc2ccccn2)C1 ZINC000072353538 211097814 /nfs/dbraw/zinc/09/78/14/211097814.db2.gz VATZLTOXQVBKDH-QFIPXVFZSA-N 1 0 391.559 4.165 40 0 GIABRO CCn1cc(C[N@@H+]2CCC[C@H](c3ccc(Nc4ncccc4C)cn3)C2)c(C)n1 ZINC000072353360 211097555 /nfs/dbraw/zinc/09/75/55/211097555.db2.gz YAQXWWISDPGPTA-IBGZPJMESA-N 1 0 390.535 4.433 40 0 GIABRO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000072352442 211096484 /nfs/dbraw/zinc/09/64/84/211096484.db2.gz JRBNLKYNXXOWFS-OAHLLOKOSA-N 1 0 398.503 4.268 40 0 GIABRO COc1cccc([C@H]2CN(C(=O)c3ccccc3)[C@@H]3CC[N@H+](CC4CC4)C[C@@H]32)c1 ZINC000072330694 211092155 /nfs/dbraw/zinc/09/21/55/211092155.db2.gz DVKXONUGPZNHMZ-WXFUMESZSA-N 1 0 390.527 4.035 40 0 GIABRO CCOc1ccc(CCC(=O)NCCC[N@@H+]2CCCC[C@@H]2CC)cc1OCC ZINC000020485128 210339703 /nfs/dbraw/zinc/33/97/03/210339703.db2.gz MZTBMJSYROZIRS-FQEVSTJZSA-N 1 0 390.568 4.187 40 0 GIABRO CCOC(=O)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000020452240 210336648 /nfs/dbraw/zinc/33/66/48/210336648.db2.gz AIQQEKKEJKLENT-QGZVFWFLSA-N 1 0 380.488 4.348 40 0 GIABRO O=S(=O)(N[C@@H]1CCCC[C@@H]1[N@H+]1CC=C(c2ccccc2)CC1)c1ccccc1 ZINC000020441675 210332889 /nfs/dbraw/zinc/33/28/89/210332889.db2.gz YXNCAHYSIWBSOO-PKTZIBPZSA-N 1 0 396.556 4.065 40 0 GIABRO O=S(=O)(N[C@@H]1CCCC[C@H]1[N@H+]1CC=C(c2ccccc2)CC1)c1ccccc1 ZINC000020441679 210332792 /nfs/dbraw/zinc/33/27/92/210332792.db2.gz YXNCAHYSIWBSOO-DHIUTWEWSA-N 1 0 396.556 4.065 40 0 GIABRO O=C(NCCC1CCCC1)c1ccc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)nc1 ZINC000019752748 210293982 /nfs/dbraw/zinc/29/39/82/210293982.db2.gz WDHFUOBKQUVOGC-OAQYLSRUSA-N 1 0 392.547 4.166 40 0 GIABRO O=C(NCCC1CCCC1)c1ccc([C@H]2CCC[N@H+](Cc3ccccn3)C2)nc1 ZINC000019752750 210292983 /nfs/dbraw/zinc/29/29/83/210292983.db2.gz WDHFUOBKQUVOGC-NRFANRHFSA-N 1 0 392.547 4.166 40 0 GIABRO O=C1[C@H](C2CC[NH+](Cc3ccccn3)CC2)CCCCN1Cc1ccccc1 ZINC000019703740 210284451 /nfs/dbraw/zinc/28/44/51/210284451.db2.gz XFEDFQIBRWPRBI-QHCPKHFHSA-N 1 0 377.532 4.123 40 0 GIABRO Cn1nccc1C[N@@H+]1CCC[C@H](c2ccc(Cc3c(F)cccc3F)cn2)C1 ZINC000019690293 210282113 /nfs/dbraw/zinc/28/21/13/210282113.db2.gz XZHRHEVBPUKEEM-KRWDZBQOSA-N 1 0 382.458 4.064 40 0 GIABRO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+]1CCC[C@H](Cn2ccnc2C)C1 ZINC000019659065 210278097 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398.507 4.260 40 0 GIABRO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(Oc3ccccc3)cc2)[C@H](CO)[C@@H]1O ZINC000585294818 570274674 /nfs/dbraw/zinc/27/46/74/570274674.db2.gz KOLUIYUQSWHBLJ-UBFVSLLYSA-N 1 0 389.495 4.109 40 0 GIABRO CC[NH+](CC)CCN[C@@H](c1ccc(OC)c(OC)c1)C(Cl)(Cl)Cl ZINC000022871011 570332501 /nfs/dbraw/zinc/33/25/01/570332501.db2.gz IWOGQWYWHLDFGU-HNNXBMFYSA-N 1 0 383.747 4.047 40 0 GIABRO CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000072358357 570339416 /nfs/dbraw/zinc/33/94/16/570339416.db2.gz CEOBGZWEAMDOFQ-NRFANRHFSA-N 1 0 386.499 4.482 40 0 GIABRO Fc1ccccc1OCCc1cc([C@H]2CC[N@H+](CCc3ccccc3)C2)[nH]n1 ZINC000072371231 570340191 /nfs/dbraw/zinc/34/01/91/570340191.db2.gz AXKZRKDADXLYHU-IBGZPJMESA-N 1 0 379.479 4.202 40 0 GIABRO Cc1ccc(OC[C@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000219237934 570350339 /nfs/dbraw/zinc/35/03/39/570350339.db2.gz IVVRGOLSTRSIOL-UXHICEINSA-N 1 0 380.532 4.424 40 0 GIABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cccnc1)Cc1ccc(OC(C)C)c(OC)c1 ZINC000022931879 570379889 /nfs/dbraw/zinc/37/98/89/570379889.db2.gz ADRUQHQZVMIWDF-QFIPXVFZSA-N 1 0 397.563 4.364 40 0 GIABRO CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3cc[nH+]cc3)N21 ZINC000222675729 570420100 /nfs/dbraw/zinc/42/01/00/570420100.db2.gz ZGSPHXYXFCIADS-CDHQVMDDSA-N 1 0 375.501 4.247 40 0 GIABRO CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cc[nH+]cc1 ZINC000222953695 570432909 /nfs/dbraw/zinc/43/29/09/570432909.db2.gz VJNNCOVPVGRPQM-PMACEKPBSA-N 1 0 377.517 4.040 40 0 GIABRO O=C(NCCSC1CCCCC1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039760191 570445647 /nfs/dbraw/zinc/44/56/47/570445647.db2.gz OBPUUMUQBOUSNI-UHFFFAOYSA-N 1 0 378.557 4.220 40 0 GIABRO COc1cccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000035289087 570453064 /nfs/dbraw/zinc/45/30/64/570453064.db2.gz UXMLGMAISQONSR-IHWFROFDSA-N 1 0 381.545 4.177 40 0 GIABRO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(NC(=O)/C=C/c2ccccc2)C3)cc1 ZINC000035291749 570460517 /nfs/dbraw/zinc/46/05/17/570460517.db2.gz RHWDFPMXDVIGGP-WDHWVKIYSA-N 1 0 376.500 4.020 40 0 GIABRO O=C(Nc1nnc(SCC[NH+]2CCCCC2)s1)c1cccc(Cl)c1 ZINC000035316075 570470028 /nfs/dbraw/zinc/47/00/28/570470028.db2.gz MCAVFEHQBURDQE-UHFFFAOYSA-N 1 0 382.942 4.022 40 0 GIABRO O=C(C[NH+]1CCC(c2ccccc2)CC1)NCCc1ccc(C(F)(F)F)cc1 ZINC000035316862 570470233 /nfs/dbraw/zinc/47/02/33/570470233.db2.gz QUUUTKDYKKQLLX-UHFFFAOYSA-N 1 0 390.449 4.244 40 0 GIABRO CC[NH+](CC)CCOC(=O)[C@@](O)(c1ccccc1)c1c(C)c(C)cc(C)c1C ZINC000006382257 570478320 /nfs/dbraw/zinc/47/83/20/570478320.db2.gz ZTRLSOGNKWBEGF-XMMPIXPASA-N 1 0 383.532 4.041 40 0 GIABRO CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000223696767 570479309 /nfs/dbraw/zinc/47/93/09/570479309.db2.gz DFFOIJMGUJLKDW-UHFFFAOYSA-N 1 0 380.532 4.389 40 0 GIABRO CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000029838811 570481399 /nfs/dbraw/zinc/48/13/99/570481399.db2.gz WXBKZHXBOPPWEJ-UHFFFAOYSA-N 1 0 386.923 4.062 40 0 GIABRO CO[C@]1(COc2ccccc2F)CCC[N@H+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000257249901 570488190 /nfs/dbraw/zinc/48/81/90/570488190.db2.gz JKFBYUMZYUVNNV-JOCHJYFZSA-N 1 0 383.467 4.152 40 0 GIABRO COC1(COc2ccc(C)cc2C)CC[NH+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000257304127 570488659 /nfs/dbraw/zinc/48/86/59/570488659.db2.gz SKEOANVVURLIQI-UHFFFAOYSA-N 1 0 379.504 4.240 40 0 GIABRO CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224627172 570521300 /nfs/dbraw/zinc/52/13/00/570521300.db2.gz CTYSWJDWQFSRLV-NRFANRHFSA-N 1 0 386.923 4.410 40 0 GIABRO CC(C)Sc1nnc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)s1 ZINC000224729101 570527315 /nfs/dbraw/zinc/52/73/15/570527315.db2.gz TWDKINCGXDZEGX-UHFFFAOYSA-N 1 0 394.541 4.028 40 0 GIABRO C[C@@H]1CCCN(c2ncc(C[NH2+]CCc3ccc(C(F)(F)F)cc3)cn2)C1 ZINC000035316536 570551680 /nfs/dbraw/zinc/55/16/80/570551680.db2.gz KRFQFWINOZBQKL-OAHLLOKOSA-N 1 0 378.442 4.064 40 0 GIABRO C[NH+]1CCN(c2ccc(NC(=O)CCc3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000225338500 570565566 /nfs/dbraw/zinc/56/55/66/570565566.db2.gz GCUUSJXKBZEZOT-UHFFFAOYSA-N 1 0 392.330 4.317 40 0 GIABRO C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000010281893 570567395 /nfs/dbraw/zinc/56/73/95/570567395.db2.gz OQGBWPPGABATAM-KRWDZBQOSA-N 1 0 386.923 4.410 40 0 GIABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccc(-n3ccnc3C)cc2)o1 ZINC000036740269 570568628 /nfs/dbraw/zinc/56/86/28/570568628.db2.gz HJUIRUHXLMNJPN-UHFFFAOYSA-N 1 0 389.503 4.371 40 0 GIABRO CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010332758 570569434 /nfs/dbraw/zinc/56/94/34/570569434.db2.gz RPAGWRLORHJHSX-KRWDZBQOSA-N 1 0 379.504 4.063 40 0 GIABRO CCCNC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000038755479 570582145 /nfs/dbraw/zinc/58/21/45/570582145.db2.gz VPRIEHVECNIMFN-UHFFFAOYSA-N 1 0 393.531 4.311 40 0 GIABRO COc1ccc(C2(C(=O)Nc3ccc(OCCC[NH+](C)C)cc3)CCCC2)cc1 ZINC000225531794 570584549 /nfs/dbraw/zinc/58/45/49/570584549.db2.gz OICGGCKVGFTIBA-UHFFFAOYSA-N 1 0 396.531 4.476 40 0 GIABRO CC1CC[NH+](Cc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)CC1 ZINC000038851290 570587817 /nfs/dbraw/zinc/58/78/17/570587817.db2.gz PDNNSLWOBPTWFS-UHFFFAOYSA-N 1 0 395.522 4.020 40 0 GIABRO C[C@H]1CCCC[N@@H+]1CCOc1ccc(NC(=O)C(C)(C)Br)cc1 ZINC000225594558 570592303 /nfs/dbraw/zinc/59/23/03/570592303.db2.gz BXQRSWBPEKHTIH-AWEZNQCLSA-N 1 0 383.330 4.052 40 0 GIABRO CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225606968 570593211 /nfs/dbraw/zinc/59/32/11/570593211.db2.gz UZPJPNVAPASMFC-QFIPXVFZSA-N 1 0 376.541 4.331 40 0 GIABRO COC1(C(=O)Nc2ccc(OCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CCCCC1 ZINC000225628515 570596081 /nfs/dbraw/zinc/59/60/81/570596081.db2.gz QAQKEYIQBOVOMN-RTBURBONSA-N 1 0 388.552 4.331 40 0 GIABRO CCCO[C@]1(C(=O)Nc2ccc(OCC[NH+]3CCCC3)cc2)CCC[C@@H](C)C1 ZINC000225662662 570599719 /nfs/dbraw/zinc/59/97/19/570599719.db2.gz JVPXZYWMGZMCGG-AUSIDOKSSA-N 1 0 388.552 4.475 40 0 GIABRO CCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225692804 570604155 /nfs/dbraw/zinc/60/41/55/570604155.db2.gz GEKFLSCAGRMPAL-GCJKJVERSA-N 1 0 376.541 4.331 40 0 GIABRO COc1ccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)cc1Cl ZINC000225742872 570611931 /nfs/dbraw/zinc/61/19/31/570611931.db2.gz KEVQRVAXQVNWSW-UHFFFAOYSA-N 1 0 389.952 4.083 40 0 GIABRO C[C@@H](Cc1ccccn1)[N@H+](C)Cc1ccc(OCc2ccc3c(c2)OCO3)cc1 ZINC000012148184 570617766 /nfs/dbraw/zinc/61/77/66/570617766.db2.gz QAISLXCSVOWGAI-SFHVURJKSA-N 1 0 390.483 4.452 40 0 GIABRO S=C(Nc1ccc(Cl)cc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccco1 ZINC000004489286 570627907 /nfs/dbraw/zinc/62/79/07/570627907.db2.gz ZHPFMVTXQHOKHS-ALOPSCKCSA-N 1 0 375.925 4.415 40 0 GIABRO Cc1nc(-c2ccccc2)c(CC(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)s1 ZINC000012238192 570629571 /nfs/dbraw/zinc/62/95/71/570629571.db2.gz ZEBMPSTXPBBQFN-LJQANCHMSA-N 1 0 383.561 4.138 40 0 GIABRO O[C@@H](C[NH+]1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000012292046 570633291 /nfs/dbraw/zinc/63/32/91/570633291.db2.gz CSTQJPJUMCOHAR-SFHVURJKSA-N 1 0 399.840 4.376 40 0 GIABRO COc1ccc(C2(O)CC[NH+](C[C@@H](O)c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000012292353 570633378 /nfs/dbraw/zinc/63/33/78/570633378.db2.gz MFSFZMCGJIGCCP-LJQANCHMSA-N 1 0 396.314 4.019 40 0 GIABRO CC(C)(C)c1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1 ZINC000012293561 570633923 /nfs/dbraw/zinc/63/39/23/570633923.db2.gz LPIHUACXSTZTJA-VXKWHMMOSA-N 1 0 395.543 4.368 40 0 GIABRO COc1cc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)ccc1OC(C)C ZINC000044905310 570641728 /nfs/dbraw/zinc/64/17/28/570641728.db2.gz ZCGNLCBHPVNIBX-UHFFFAOYSA-N 1 0 382.504 4.008 40 0 GIABRO CCOc1ccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1OCC ZINC000044905191 570641907 /nfs/dbraw/zinc/64/19/07/570641907.db2.gz QOWSVWAGWZVGDI-UHFFFAOYSA-N 1 0 396.531 4.400 40 0 GIABRO COc1ccc(CCCNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000044907121 570642010 /nfs/dbraw/zinc/64/20/10/570642010.db2.gz AYNSPXOWLAZVNJ-UHFFFAOYSA-N 1 0 380.532 4.434 40 0 GIABRO CCOc1ccccc1CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044909932 570642449 /nfs/dbraw/zinc/64/24/49/570642449.db2.gz CPDUASDAEMXERC-NRFANRHFSA-N 1 0 398.522 4.185 40 0 GIABRO COc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)Nc2ccccc2)C3)cc1 ZINC000004887947 570642591 /nfs/dbraw/zinc/64/25/91/570642591.db2.gz ANMOEZZZAWXWRI-SEJPIABJSA-N 1 0 379.504 4.402 40 0 GIABRO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c(C)c1 ZINC000044912093 570642703 /nfs/dbraw/zinc/64/27/03/570642703.db2.gz DVVRWHQZYQVJMD-UHFFFAOYSA-N 1 0 394.515 4.331 40 0 GIABRO CCOc1cccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000044919696 570643295 /nfs/dbraw/zinc/64/32/95/570643295.db2.gz HYQMIBFHXGEKOX-IBGZPJMESA-N 1 0 386.923 4.267 40 0 GIABRO Cc1cccc(C2(O)CC[NH+](Cc3cccc(Oc4ncccn4)c3)CC2)c1 ZINC000012328449 570643642 /nfs/dbraw/zinc/64/36/42/570643642.db2.gz HJGOOQHDFIJBCP-UHFFFAOYSA-N 1 0 375.472 4.061 40 0 GIABRO COc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044933127 570643822 /nfs/dbraw/zinc/64/38/22/570643822.db2.gz RHSZMCNAFRXVCS-QFBILLFUSA-N 1 0 386.923 4.438 40 0 GIABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1)c1ccc(OC)cc1 ZINC000044936277 570644270 /nfs/dbraw/zinc/64/42/70/570644270.db2.gz NGMKEGIXCROBPW-HSZRJFAPSA-N 1 0 380.532 4.483 40 0 GIABRO CCCOc1ccccc1C[NH+]1CCC(NC(C)=O)(c2ccc(F)cc2)CC1 ZINC000012344770 570645246 /nfs/dbraw/zinc/64/52/46/570645246.db2.gz VQVFFKXWVUTVKQ-UHFFFAOYSA-N 1 0 384.495 4.242 40 0 GIABRO COc1ccccc1[C@@H](C)NC(=O)Cn1cc(C[NH+]2CCCC2)c2ccccc21 ZINC000012361733 570646065 /nfs/dbraw/zinc/64/60/65/570646065.db2.gz JFDKNRBPUBSPQK-GOSISDBHSA-N 1 0 391.515 4.123 40 0 GIABRO Cc1cc(C[C@@H]2COC[C@H]2[NH2+]Cc2ccc(OCc3ccccc3F)cc2)on1 ZINC000012366586 570647302 /nfs/dbraw/zinc/64/73/02/570647302.db2.gz DWVOYLCZSFQJEL-AUSIDOKSSA-N 1 0 396.462 4.048 40 0 GIABRO CCn1c(CNc2ccc(Cl)cc2)nnc1SCC[NH+]1CCCCC1 ZINC000004977154 570655848 /nfs/dbraw/zinc/65/58/48/570655848.db2.gz VJFDRQVHDJBPBN-UHFFFAOYSA-N 1 0 379.961 4.142 40 0 GIABRO C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000005625711 570665544 /nfs/dbraw/zinc/66/55/44/570665544.db2.gz UTQAWKRUTNWPHS-RHSMWYFYSA-N 1 0 388.943 4.091 40 0 GIABRO CCOC(=O)c1ccc(NC(=S)NCCC[N@@H+]2CCCC[C@H]2CC)c(C)c1 ZINC000260737700 570700663 /nfs/dbraw/zinc/70/06/63/570700663.db2.gz NIFJEFNTIXAGHB-GOSISDBHSA-N 1 0 391.581 4.113 40 0 GIABRO COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000260762074 570703794 /nfs/dbraw/zinc/70/37/94/570703794.db2.gz GGJOEQZCEKHFEN-ROUUACIJSA-N 1 0 396.531 4.427 40 0 GIABRO CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[N@@H+]1CCCC[C@H]1CC ZINC000260795865 570706437 /nfs/dbraw/zinc/70/64/37/570706437.db2.gz MIFSREUHAPFKMP-GGAORHGYSA-N 1 0 386.580 4.494 40 0 GIABRO CO[C@]1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@H]3C)cc2)CCC[C@@H](C)C1 ZINC000260814470 570707918 /nfs/dbraw/zinc/70/79/18/570707918.db2.gz IWICYXUBRAQMIB-DNVFCKCGSA-N 1 0 388.552 4.474 40 0 GIABRO CCCC[C@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260816791 570708061 /nfs/dbraw/zinc/70/80/61/570708061.db2.gz QKQRDVLFHOXZBV-AVRDEDQJSA-N 1 0 376.541 4.331 40 0 GIABRO CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260816796 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383.330 4.328 40 0 GIABRO CCCC[NH2+]Cc1cc(Br)c(OCc2cccnc2)c(OC)c1 ZINC000006868980 570752300 /nfs/dbraw/zinc/75/23/00/570752300.db2.gz SQNHUDOIZZWXDH-UHFFFAOYSA-N 1 0 379.298 4.321 40 0 GIABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]Cc3ccc(C)cc3)o2)c1 ZINC000007540748 570760555 /nfs/dbraw/zinc/76/05/55/570760555.db2.gz OVPNTMJDUZBJLM-UHFFFAOYSA-N 1 0 393.439 4.118 40 0 GIABRO COc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000009062633 570773885 /nfs/dbraw/zinc/77/38/85/570773885.db2.gz OODXPGWGXFXJJQ-INIZCTEOSA-N 1 0 386.923 4.438 40 0 GIABRO COc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)NC2CCCCC2)C3)cc1 ZINC000012499276 570807551 /nfs/dbraw/zinc/80/75/51/570807551.db2.gz WBLGZPMRYZRKJF-SEJPIABJSA-N 1 0 385.552 4.213 40 0 GIABRO CCCCOc1ccc(C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000013424809 570848423 /nfs/dbraw/zinc/84/84/23/570848423.db2.gz NUFCKCSPRMSRNO-OALUTQOASA-N 1 0 375.509 4.295 40 0 GIABRO Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@@H+](CC4CCCCC4)C[C@@H]32)no1 ZINC000585109735 570937955 /nfs/dbraw/zinc/93/79/55/570937955.db2.gz MXQSYWQRAZTQJZ-JAXLGGSGSA-N 1 0 379.504 4.063 40 0 GIABRO C[C@@H](Nc1nc(C2CC[NH+](Cc3cccnc3)CC2)cc(=O)[nH]1)c1ccccc1 ZINC000019717551 571040212 /nfs/dbraw/zinc/04/02/12/571040212.db2.gz KQEAZZPGSCUFBL-QGZVFWFLSA-N 1 0 389.503 4.130 40 0 GIABRO Cc1cc(Nc2cc(-c3ccccn3)nc(NCC[NH+](C)C)n2)ccc1C(C)C ZINC000328956372 571046737 /nfs/dbraw/zinc/04/67/37/571046737.db2.gz AFNOHVJYXXEOIV-UHFFFAOYSA-N 1 0 390.535 4.109 40 0 GIABRO Cc1cccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)C3CCCC3)c3ccccn3)C2)n1 ZINC000019236202 818589339 /nfs/dbraw/zinc/58/93/39/818589339.db2.gz OVKDWHDBSHTJCI-NZQKXSOJSA-N 1 0 392.547 4.045 40 0 GIABRO CC[N@@H+]1CCC[C@@](O)(c2nc(C)c(COc3ccc(F)c(F)c3)s2)CC1 ZINC000019705246 818601633 /nfs/dbraw/zinc/60/16/33/818601633.db2.gz YKQZTNKDCOYNOG-IBGZPJMESA-N 1 0 382.476 4.002 40 0 GIABRO COc1ccccc1-c1ccccc1C[NH+]1CCC2(CC1)CC=CCN(C)C2=O ZINC000019742583 818604433 /nfs/dbraw/zinc/60/44/33/818604433.db2.gz APLGSXOIHPTLOD-UHFFFAOYSA-N 1 0 390.527 4.363 40 0 GIABRO Cc1cc(Oc2ccc(NC(=O)c3cccnc3)cc2)cc(C2CC[NH2+]CC2)n1 ZINC000019570476 210267393 /nfs/dbraw/zinc/26/73/93/210267393.db2.gz AEBRFNFOGFNTPJ-UHFFFAOYSA-N 1 0 388.471 4.297 40 0 GIABRO COc1cccc2ccc(C[N@@H+]3CC[C@@H](c4nc(-c5cccs5)no4)C3)nc21 ZINC000019568407 210266455 /nfs/dbraw/zinc/26/64/55/210266455.db2.gz VXFQPCJUECEKSY-OAHLLOKOSA-N 1 0 392.484 4.344 40 0 GIABRO COc1cccc(C[N@@H+]2CCC[C@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1 ZINC000019565136 210266259 /nfs/dbraw/zinc/26/62/59/210266259.db2.gz YEQKYNOMSZGOKG-SFHVURJKSA-N 1 0 397.519 4.125 40 0 GIABRO Cc1cc([C@@H](O)C[NH+]2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)c(C)s1 ZINC000019567835 210265296 /nfs/dbraw/zinc/26/52/96/210265296.db2.gz ZPBVWWLJPIATIQ-SFHVURJKSA-N 1 0 399.478 4.401 40 0 GIABRO CC(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2oc3ccccc3c2C)CC1 ZINC000019566346 210264927 /nfs/dbraw/zinc/26/49/27/210264927.db2.gz DNRWUMGVZDYJPD-QHCPKHFHSA-N 1 0 377.488 4.226 40 0 GIABRO COc1ccc(-n2ncc3c2C[C@H]2CC[C@@H]3[N@@H+]2Cc2cccc(OC)c2)cc1 ZINC000019558909 210264129 /nfs/dbraw/zinc/26/41/29/210264129.db2.gz TUGXIERRCDJQCM-GCJKJVERSA-N 1 0 375.472 4.151 40 0 GIABRO CC(C)c1ncc(CN2Cc3ccccc3OC3(CCC([NH+](C)C)CC3)C2)cn1 ZINC000019454128 210250252 /nfs/dbraw/zinc/25/02/52/210250252.db2.gz MDDMBSVIYUAJQG-UHFFFAOYSA-N 1 0 394.563 4.238 40 0 GIABRO Cc1cc(Nc2cc(-c3ccncc3)nc(NCCC[NH+](C)C)n2)ccc1Cl ZINC000328965880 231046533 /nfs/dbraw/zinc/04/65/33/231046533.db2.gz CFXNWDHIRNRYSX-UHFFFAOYSA-N 1 0 396.926 4.030 40 0 GIABRO O=C(Nc1ccc(F)cc1)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000408877471 231124035 /nfs/dbraw/zinc/12/40/35/231124035.db2.gz RTNYDDFXDWQVLM-UHFFFAOYSA-N 1 0 389.474 4.400 40 0 GIABRO O=C(CCCc1ccc(F)cc1)N1CCC[C@H]2[NH2+]C[C@H](c3ccc(F)cc3)[C@H]21 ZINC000019333607 210242497 /nfs/dbraw/zinc/24/24/97/210242497.db2.gz NYSGPXFVEPFELU-MQSCRBSSSA-N 1 0 384.470 4.034 40 0 GIABRO FC(F)(F)c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CC[NH2+]C3)n2)cc1 ZINC000019332594 210241501 /nfs/dbraw/zinc/24/15/01/210241501.db2.gz NYBRMNAMFNUUPF-CQSZACIVSA-N 1 0 385.393 4.378 40 0 GIABRO Clc1ccc(CN2CCc3nc([C@@H]4CCCC[NH2+]4)ncc3C2)cc1Cl ZINC000019292961 210239425 /nfs/dbraw/zinc/23/94/25/210239425.db2.gz AAMOVCXEPQEXBR-SFHVURJKSA-N 1 0 377.319 4.156 40 0 GIABRO CNc1cc(C2CC[NH+](Cc3cccc(F)c3)CC2)nc(-c2cnc(C)s2)n1 ZINC000019287378 210237730 /nfs/dbraw/zinc/23/77/30/210237730.db2.gz GJSCNYNAPXXAME-UHFFFAOYSA-N 1 0 397.523 4.469 40 0 GIABRO Cc1oc(C(=O)N2CCc3[nH]c4c(cccc4C)c3C2)cc1C[NH+]1CCCC1 ZINC000019236576 210232801 /nfs/dbraw/zinc/23/28/01/210232801.db2.gz FQXYJSRFTXSBGY-UHFFFAOYSA-N 1 0 377.488 4.172 40 0 GIABRO Cc1ccc(NC(=[NH2+])Nc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)cc1Cl ZINC000013634085 210073939 /nfs/dbraw/zinc/07/39/39/210073939.db2.gz QRYZZARITSBTJL-UHFFFAOYSA-N 1 0 381.867 4.090 40 0 GIABRO COc1cc2ccc(C)nc2c(NC[C@](C)(O)C[NH+](CC(C)C)CC(C)C)c1 ZINC000001653256 209334972 /nfs/dbraw/zinc/33/49/72/209334972.db2.gz WZUXNBRYPMURDV-QHCPKHFHSA-N 1 0 387.568 4.329 40 0 GIABRO Cc1ccsc1C[N@@H+]1CCC[C@@H](c2nc3ccc(N4CCCC4)cn3n2)C1 ZINC000306141337 212054776 /nfs/dbraw/zinc/05/47/76/212054776.db2.gz VSMHMZXSNJPWPD-QGZVFWFLSA-N 1 0 381.549 4.079 40 0 GIABRO O=C(c1ccsc1)N1C[C@@]2(CC[N@H+](Cc3ccsc3)C2)c2ncccc21 ZINC000306138133 212053598 /nfs/dbraw/zinc/05/35/98/212053598.db2.gz RPZRQRJTAJJQKA-FQEVSTJZSA-N 1 0 381.526 4.009 40 0 GIABRO c1csc(-c2ccc3nc([C@H]4CCC[N@@H+](Cc5ccncc5)C4)nn3c2)c1 ZINC000306132827 212049989 /nfs/dbraw/zinc/04/99/89/212049989.db2.gz LTGXGRHPMUYJCO-SFHVURJKSA-N 1 0 375.501 4.232 40 0 GIABRO Cc1ccsc1C[N@@H+]1C[C@@H]2[C@H](C1)N(Cc1ccc(F)cc1)C(=O)c1cccn12 ZINC000306138539 212053868 /nfs/dbraw/zinc/05/38/68/212053868.db2.gz SAEPEBHZLZEPOC-UXHICEINSA-N 1 0 395.503 4.079 40 0 GIABRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(-c4cccc(C)c4)cnc2CO3)cc1 ZINC000306128931 212046471 /nfs/dbraw/zinc/04/64/71/212046471.db2.gz HOPYPVHPRIRCPL-XMMPIXPASA-N 1 0 389.499 4.042 40 0 GIABRO O=C(c1ccsc1)N1C[C@@]2(CC[N@@H+](Cc3ccc(F)cc3)C2)c2ncccc21 ZINC000306125598 212045634 /nfs/dbraw/zinc/04/56/34/212045634.db2.gz CVEOBUFRUCTLIX-QFIPXVFZSA-N 1 0 393.487 4.086 40 0 GIABRO Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC[C@]2(C)[NH2+]CCCC[C@H]12 ZINC000257301142 212019315 /nfs/dbraw/zinc/01/93/15/212019315.db2.gz RXDNRBDUAWOXNY-AVRDEDQJSA-N 1 0 383.561 4.179 40 0 GIABRO Cc1ccc(Nc2cc(C)[nH+]c([C@H]3CCN(C(=O)c4cnc(C)cn4)C3)c2)cc1 ZINC000257244843 212010742 /nfs/dbraw/zinc/01/07/42/212010742.db2.gz INAQTMPSXWYQFB-SFHVURJKSA-N 1 0 387.487 4.170 40 0 GIABRO CC[C@@H](C)Nc1cc(N2CCc3cc(OC)c(OC)cc3C2)nc(C(C)C)[nH+]1 ZINC000329057303 209160176 /nfs/dbraw/zinc/16/01/76/209160176.db2.gz VXHUCQIOAXMWKY-OAHLLOKOSA-N 1 0 384.524 4.390 40 0 GIABRO CC[C@@H](C)Nc1cc(N2CCc3cc(C(=O)OC)ccc3C2)nc(C(C)C)[nH+]1 ZINC000329068017 209159911 /nfs/dbraw/zinc/15/99/11/209159911.db2.gz YMKSBLQEXMQKMQ-OAHLLOKOSA-N 1 0 382.508 4.160 40 0 GIABRO Cc1nc(C)c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[NH2+][C@H]3Cc2ccccc2)s1 ZINC000257231833 212007646 /nfs/dbraw/zinc/00/76/46/212007646.db2.gz GIISHVIDXNMSHO-BPDSMXLESA-N 1 0 395.572 4.116 40 0 GIABRO Cc1nc(-c2ccccc2F)sc1C(=O)N1CCC[C@]2(C)[NH2+]CCCC[C@H]12 ZINC000257227428 212006523 /nfs/dbraw/zinc/00/65/23/212006523.db2.gz FPFOXOJNNJBJFN-UWJYYQICSA-N 1 0 387.524 4.394 40 0 GIABRO CCCc1ccc(OCc2ccccc2)c(C[N@H+](C)[C@@H]2CC[C@@H](OC)[C@@H]2O)c1 ZINC000257220776 212004892 /nfs/dbraw/zinc/00/48/92/212004892.db2.gz DMBZIZNEOKSDOC-GMKZXUHWSA-N 1 0 383.532 4.188 40 0 GIABRO COc1ccccc1CN(C)C(=O)c1ncccc1-c1cccc(C[NH+](C)C)c1 ZINC000257203797 212003871 /nfs/dbraw/zinc/00/38/71/212003871.db2.gz ARQUFPAWJCMRIX-UHFFFAOYSA-N 1 0 389.499 4.091 40 0 GIABRO CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225606906 211908853 /nfs/dbraw/zinc/90/88/53/211908853.db2.gz KGBOAEKYMOGINX-PWHSHALESA-N 1 0 390.568 4.433 40 0 GIABRO CCSc1nnc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)s1 ZINC000225110223 211883572 /nfs/dbraw/zinc/88/35/72/211883572.db2.gz OHETXKOWHGTSGS-UHFFFAOYSA-N 1 0 376.551 4.278 40 0 GIABRO O=C(COc1ccc2c(c1)CCCC2)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000224536400 211865406 /nfs/dbraw/zinc/86/54/06/211865406.db2.gz VWROCIFFBTVCDI-UHFFFAOYSA-N 1 0 392.543 4.247 40 0 GIABRO CCCc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000224531887 211864762 /nfs/dbraw/zinc/86/47/62/211864762.db2.gz RVIMTCBWMXVXNE-UHFFFAOYSA-N 1 0 394.559 4.355 40 0 GIABRO O=C(C[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21)Nc1cccc2cnccc21 ZINC000096156849 211314188 /nfs/dbraw/zinc/31/41/88/211314188.db2.gz DXNHBQRBCFHMMJ-GOSISDBHSA-N 1 0 387.483 4.252 40 0 GIABRO O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2C[NH+](Cc3cccc(Cl)c3)C[C@H]2C1 ZINC000096245469 211324634 /nfs/dbraw/zinc/32/46/34/211324634.db2.gz QMUVPSDUWGLZLP-ROUUACIJSA-N 1 0 389.326 4.126 40 0 GIABRO CCN(CC)C(=O)C[C@H]1CC2(CC[NH+](Cc3ccco3)CC2)Oc2ccccc21 ZINC000096053459 211298535 /nfs/dbraw/zinc/29/85/35/211298535.db2.gz YRMOISOFFPOLNS-IBGZPJMESA-N 1 0 396.531 4.439 40 0 GIABRO CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+](Cc3nccs3)CC2)c2ccccc21 ZINC000096053035 211298593 /nfs/dbraw/zinc/29/85/93/211298593.db2.gz WEMGSZPFDJBKNG-GOSISDBHSA-N 1 0 397.588 4.423 40 0 GIABRO Fc1cccc(-c2ccc3nc(C4CC[NH+](CC5CCOCC5)CC4)nn3c2)c1 ZINC000096038214 211297133 /nfs/dbraw/zinc/29/71/33/211297133.db2.gz CKGKAPAGTOFERZ-UHFFFAOYSA-N 1 0 394.494 4.141 40 0 GIABRO CCc1ccc(C(=O)N2CCC3(C2)CC[NH+](Cc2cccc(OC)c2)CC3)cc1 ZINC000096046649 211296575 /nfs/dbraw/zinc/29/65/75/211296575.db2.gz IUHPVGHPYMVVKS-UHFFFAOYSA-N 1 0 392.543 4.386 40 0 GIABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3cccs3)CC2)c2ccccc21)NC1CC1 ZINC000096052969 211296132 /nfs/dbraw/zinc/29/61/32/211296132.db2.gz GWRFNXXVIRTLJE-QGZVFWFLSA-N 1 0 380.557 4.438 40 0 GIABRO O=C(C[C@H]1CC2(CC[NH+](Cc3nccs3)CC2)c2ccccc21)NC1CCC1 ZINC000096052750 211295861 /nfs/dbraw/zinc/29/58/61/211295861.db2.gz BIHUWUZGNPYNAC-KRWDZBQOSA-N 1 0 395.572 4.223 40 0 GIABRO CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+](CC(C)(C)C)C1 ZINC000072395962 211109687 /nfs/dbraw/zinc/10/96/87/211109687.db2.gz OUPMLVKPFXMLHH-QHCPKHFHSA-N 1 0 383.536 4.149 40 0 GIABRO Cc1cc(C[C@@H]2COC[C@H]2[N@@H+](Cc2ccncc2)C[C@H](C)c2ccccc2)on1 ZINC000072395076 211109594 /nfs/dbraw/zinc/10/95/94/211109594.db2.gz MANJAOQJUMFZAT-KUWBRRTOSA-N 1 0 391.515 4.241 40 0 GIABRO CCNC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@H+](CC(C)C)C1 ZINC000072395930 211109355 /nfs/dbraw/zinc/10/93/55/211109355.db2.gz QUELUMYWQABQNQ-QHCPKHFHSA-N 1 0 383.536 4.067 40 0 GIABRO Cc1cccnc1[C@]1(O)CC[C@H]2C[N@H+](Cc3ccc(OC4CCCC4)cc3)C[C@H]21 ZINC000072392538 211109266 /nfs/dbraw/zinc/10/92/66/211109266.db2.gz PFSSVHJGKRQVHG-ZWSUVBHBSA-N 1 0 392.543 4.441 40 0 GIABRO CCc1nccn1-c1cccc([C@H]2CCC[N@@H+]2CCOc2ccc(F)cc2)n1 ZINC000072379224 211107154 /nfs/dbraw/zinc/10/71/54/211107154.db2.gz LAIIGWLQTUBAQA-HXUWFJFHSA-N 1 0 380.467 4.185 40 0 GIABRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cncc(-n3ccnc3C(C)C)n2)cc1 ZINC000072378692 211104432 /nfs/dbraw/zinc/10/44/32/211104432.db2.gz MOVYXBMSJSYPMJ-HXUWFJFHSA-N 1 0 377.492 4.131 40 0 GIABRO Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCC[N@H+](CCc3ccccc3)C2)n1 ZINC000072345922 211094716 /nfs/dbraw/zinc/09/47/16/211094716.db2.gz JDLUWBOJTFUCIA-IBGZPJMESA-N 1 0 376.479 4.287 40 0 GIABRO COc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](CCOc3ccccc3)C2)c1 ZINC000072358891 211100791 /nfs/dbraw/zinc/10/07/91/211100791.db2.gz XHRYQRSKIATBFQ-HXUWFJFHSA-N 1 0 389.499 4.411 40 0 GIABRO O=C(NC1CCCCC1)c1cc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)no1 ZINC000072351300 211097324 /nfs/dbraw/zinc/09/73/24/211097324.db2.gz HLQONTWBZHGQLR-QGZVFWFLSA-N 1 0 385.483 4.256 40 0 GIABRO CC(=O)N1CCC([N@@H+]2CCC[C@@H](c3cccc(-c4cccc(F)c4)n3)C2)CC1 ZINC000072350190 211096630 /nfs/dbraw/zinc/09/66/30/211096630.db2.gz CWULNVYRYMRTQC-LJQANCHMSA-N 1 0 381.495 4.078 40 0 GIABRO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](Cc2cccc(OC)c2)C1 ZINC000072352498 211096507 /nfs/dbraw/zinc/09/65/07/211096507.db2.gz QVFOQOSPRUFGPY-MRXNPFEDSA-N 1 0 380.513 4.259 40 0 GIABRO CCOC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000020462338 210337750 /nfs/dbraw/zinc/33/77/50/210337750.db2.gz YYFWJJFSLCACTO-UHFFFAOYSA-N 1 0 380.488 4.348 40 0 GIABRO O=C(CSCc1ccc(Cl)c(Cl)c1)NCCC[NH+]1CCCCC1 ZINC000020111039 210318019 /nfs/dbraw/zinc/31/80/19/210318019.db2.gz VXLKYCZUHSDRJF-UHFFFAOYSA-N 1 0 375.365 4.219 40 0 GIABRO Nc1n[nH]c2nc([C@@H]3CCCC[N@@H+]3CCc3ccccc3)cc(C(F)(F)F)c12 ZINC000019742904 210291333 /nfs/dbraw/zinc/29/13/33/210291333.db2.gz LTIOMSSKRVTAGG-INIZCTEOSA-N 1 0 389.425 4.329 40 0 GIABRO Cc1nc(C2CC[NH+](CC[C@H](C)c3ccccc3)CC2)nc2c1CCC(=O)N2C ZINC000019739497 210291055 /nfs/dbraw/zinc/29/10/55/210291055.db2.gz DUBZHLSHVJOHKI-KRWDZBQOSA-N 1 0 392.547 4.067 40 0 GIABRO Cc1nc(C2CC[NH+](CC[C@@H](C)c3ccccc3)CC2)nc2c1CCC(=O)N2C ZINC000019739498 210290692 /nfs/dbraw/zinc/29/06/92/210290692.db2.gz DUBZHLSHVJOHKI-QGZVFWFLSA-N 1 0 392.547 4.067 40 0 GIABRO Cc1cccc(CNc2n[nH]c3nc([C@H]4CCC[N@H+](CC(C)(C)C)C4)ccc23)n1 ZINC000019742890 210290166 /nfs/dbraw/zinc/29/01/66/210290166.db2.gz WUYLATMZXMORSV-KRWDZBQOSA-N 1 0 392.551 4.499 40 0 GIABRO Cc1ccc(OCC[NH+](C)C)c(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)c1 ZINC000019715626 210287607 /nfs/dbraw/zinc/28/76/07/210287607.db2.gz XOXBALSKFCHDEH-MRXNPFEDSA-N 1 0 399.535 4.327 40 0 GIABRO Cc1c(-c2csc(NC(=O)c3ccccc3C[NH+]3CCCCC3)n2)cnn1C ZINC000019654731 210276793 /nfs/dbraw/zinc/27/67/93/210276793.db2.gz LGBZYBSUKDSAJW-UHFFFAOYSA-N 1 0 395.532 4.090 40 0 GIABRO CN(C)C(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CC[N@H+](Cc2ccncc2)C1 ZINC000019580525 210269853 /nfs/dbraw/zinc/26/98/53/210269853.db2.gz XOMJKDNXVBCZNB-SANMLTNESA-N 1 0 399.538 4.272 40 0 GIABRO CN(C[C@H]1OCCc2ccccc21)C(=O)c1ccc(C[NH+]2CCCCCC2)o1 ZINC000019586061 210273712 /nfs/dbraw/zinc/27/37/12/210273712.db2.gz VWQLIXKOGPYGMX-JOCHJYFZSA-N 1 0 382.504 4.042 40 0 GIABRO COCc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCC[N@@H+]3C)cc1 ZINC000019589104 210272624 /nfs/dbraw/zinc/27/26/24/210272624.db2.gz NBPNJIDEEAFCPQ-VXNXHJTFSA-N 1 0 392.543 4.316 40 0 GIABRO CCOc1ccc(C[NH+]2CCC(n3c4cc(Cl)ccc4oc3=O)CC2)cc1 ZINC000012184754 221163845 /nfs/dbraw/zinc/16/38/45/221163845.db2.gz PIGOKKSVXGSQHW-UHFFFAOYSA-N 1 0 386.879 4.484 40 0 GIABRO COc1cccc(C(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000408609740 533397385 /nfs/dbraw/zinc/39/73/85/533397385.db2.gz OMWXVSONSNQRLU-UHFFFAOYSA-N 1 0 378.516 4.214 40 0 GIABRO CC1(C)[C@H](Cc2cc(COc3ccccc3)on2)C[C@@H]1[NH2+]Cc1ccccn1 ZINC000067889990 560050124 /nfs/dbraw/zinc/05/01/24/560050124.db2.gz OJLIMRRTLOISQA-VGSWGCGISA-N 1 0 377.488 4.396 40 0 biogenic,in-vitro GIABRO Fc1ccc(OCc2nnc([C@H]3CC[N@H+](Cc4ccccc4Cl)C3)o2)cc1 ZINC000049170378 560084531 /nfs/dbraw/zinc/08/45/31/560084531.db2.gz XVGSNDMQMMQHCR-HNNXBMFYSA-N 1 0 387.842 4.431 40 0 biogenic,in-vitro GIABRO COc1ccc(C[N@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3cccs3)c4=O)C2)cc1 ZINC000004237297 560197749 /nfs/dbraw/zinc/19/77/49/560197749.db2.gz FZMUZGVGOBWUMN-ZWKOTPCHSA-N 1 0 392.524 4.205 40 0 biogenic,in-vitro GIABRO CC(C)(C)Nc1nc(NCc2cccc(Br)c2)cc(C2CC2)[nH+]1 ZINC000329010908 570212078 /nfs/dbraw/zinc/21/20/78/570212078.db2.gz MDIVIPMZDHWHDQ-UHFFFAOYSA-N 1 0 375.314 4.361 40 0 GIABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3cccc(Nc4ncc(C)s4)n3)C2)cn1 ZINC000585262692 570230018 /nfs/dbraw/zinc/23/00/18/570230018.db2.gz SSVALAPCEBUXNI-QGZVFWFLSA-N 1 0 382.537 4.186 40 0 GIABRO CCc1ncc(C[NH+]2CCC(c3cccc(Nc4ncc(C)s4)n3)CC2)cn1 ZINC000585262593 570230673 /nfs/dbraw/zinc/23/06/73/570230673.db2.gz HCBRYXRCLHFORO-UHFFFAOYSA-N 1 0 394.548 4.322 40 0 GIABRO CCOC(=O)C1CC[NH+]([C@H](c2c(C)[nH]c3ccccc32)c2ccncc2)CC1 ZINC000054218304 570277698 /nfs/dbraw/zinc/27/76/98/570277698.db2.gz OLJQTDMEIJYSTB-QFIPXVFZSA-N 1 0 377.488 4.236 40 0 GIABRO COc1ccc(C[C@@H](C(=O)OC2C[C@@H](C)[NH+](C)[C@H](C)C2)c2ccccc2)cc1 ZINC000102666081 570291114 /nfs/dbraw/zinc/29/11/14/570291114.db2.gz GNHPJGJHBNDLTI-PMAPCBKXSA-N 1 0 381.516 4.436 40 0 GIABRO Cc1noc(C)c1C[NH+]1CCC2(CC1)c1ccccc1N(c1ccoc1)C2=O ZINC000107465607 570309969 /nfs/dbraw/zinc/30/99/69/570309969.db2.gz NKUIHRCMJYMELW-UHFFFAOYSA-N 1 0 377.444 4.097 40 0 GIABRO C[C@H](O)C[NH2+]CCNCc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000022075225 570321647 /nfs/dbraw/zinc/32/16/47/570321647.db2.gz FHEROJKPWBCFSN-KRWDZBQOSA-N 1 0 398.934 4.132 40 0 GIABRO COc1cccc(-c2noc([C@@H]3CC[N@H+](Cc4ccc5ncccc5c4)C3)n2)c1 ZINC000072369899 570340053 /nfs/dbraw/zinc/34/00/53/570340053.db2.gz KWGDUAWYJQYBAH-LJQANCHMSA-N 1 0 386.455 4.283 40 0 GIABRO CCN(Cc1ccccc1)[C@@H](c1nnnn1C(C)(C)C)c1ccc(OC)cc1 ZINC000057710496 570370602 /nfs/dbraw/zinc/37/06/02/570370602.db2.gz ISUFFXMDKRJXNP-HXUWFJFHSA-N 1 0 379.508 4.048 40 0 GIABRO O=C(C(c1ccccc1)c1ccccc1)N1CC[NH+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC000222341951 570408732 /nfs/dbraw/zinc/40/87/32/570408732.db2.gz ZABXKTGGHOTGBI-TUACAJSNSA-N 1 0 386.539 4.175 40 0 GIABRO C[C@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc2c(c1)OCCO2 ZINC000222705036 570421645 /nfs/dbraw/zinc/42/16/45/570421645.db2.gz OZVUNZKRAHOCCF-MSOLQXFVSA-N 1 0 394.515 4.181 40 0 GIABRO CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cc[nH+]cc1 ZINC000222953812 570432931 /nfs/dbraw/zinc/43/29/31/570432931.db2.gz VJNNCOVPVGRPQM-VQTJNVASSA-N 1 0 377.517 4.040 40 0 GIABRO O=C(NCCc1ccc(F)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000223415147 570464619 /nfs/dbraw/zinc/46/46/19/570464619.db2.gz HFLCYKOFULTZPP-UHFFFAOYSA-N 1 0 388.486 4.357 40 0 GIABRO C[C@H]1CCCN(c2ncc(C[NH2+]CCc3ccc(C(F)(F)F)cc3)cn2)C1 ZINC000035316537 570470049 /nfs/dbraw/zinc/47/00/49/570470049.db2.gz KRFQFWINOZBQKL-HNNXBMFYSA-N 1 0 378.442 4.064 40 0 GIABRO CCn1c[n+](C[C@@H](O)COc2cccc3ccccc32)c2cc(C)c(C)cc21 ZINC000000781051 570479826 /nfs/dbraw/zinc/47/98/26/570479826.db2.gz VDUWPYLJTVEQQQ-HXUWFJFHSA-N 1 0 375.492 4.159 40 0 GIABRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000006517646 570482400 /nfs/dbraw/zinc/48/24/00/570482400.db2.gz NELNGEQETOZMTH-UHFFFAOYSA-N 1 0 378.303 4.388 40 0 GIABRO CC(C)c1ccccc1OCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000223826415 570485862 /nfs/dbraw/zinc/48/58/62/570485862.db2.gz PWDHBUBOOWHEJF-HXUWFJFHSA-N 1 0 398.522 4.356 40 0 GIABRO Cc1nccn1-c1ccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000030753719 570494696 /nfs/dbraw/zinc/49/46/96/570494696.db2.gz AMXDKLPQBVSLAJ-UHFFFAOYSA-N 1 0 388.515 4.097 40 0 GIABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCOc3cc(C)ccc3C)CC2)c1 ZINC000224027693 570495357 /nfs/dbraw/zinc/49/53/57/570495357.db2.gz WDBAZEUEZGKCGL-UHFFFAOYSA-N 1 0 380.532 4.019 40 0 GIABRO CCCNC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000030939566 570501559 /nfs/dbraw/zinc/50/15/59/570501559.db2.gz GPYQSPOWKXFJIV-UHFFFAOYSA-N 1 0 393.531 4.455 40 0 GIABRO COc1ccccc1OCCn1c2ccccc2nc1C[NH+]1CCCCCC1 ZINC000031903408 570507198 /nfs/dbraw/zinc/50/71/98/570507198.db2.gz IUMOIBUXWPLWAL-UHFFFAOYSA-N 1 0 379.504 4.500 40 0 GIABRO CCc1ccc(O[C@H](CC)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000224515434 570516013 /nfs/dbraw/zinc/51/60/13/570516013.db2.gz BMZDQAAJBIVTET-HSZRJFAPSA-N 1 0 380.532 4.319 40 0 GIABRO Cc1ccc(OCCCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224671042 570523600 /nfs/dbraw/zinc/52/36/00/570523600.db2.gz UALPJIZCHLHYLC-UHFFFAOYSA-N 1 0 380.532 4.456 40 0 GIABRO C[NH+](C)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2ccccc2s1 ZINC000005239730 570524913 /nfs/dbraw/zinc/52/49/13/570524913.db2.gz SCCOYLPJXDYEMY-UHFFFAOYSA-N 1 0 379.529 4.384 40 0 GIABRO CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](C[NH3+])c2cccc(Oc3ccccc3)c2)C1 ZINC000035622945 570556820 /nfs/dbraw/zinc/55/68/20/570556820.db2.gz NSQRQRJDMLTDCH-NQIIRXRSSA-N 1 0 397.519 4.078 40 0 GIABRO COc1ccc(Cl)cc1NC(=S)NC1CC[NH+](Cc2cccs2)CC1 ZINC000225230680 570558078 /nfs/dbraw/zinc/55/80/78/570558078.db2.gz XNCKPMXAXWGDJS-UHFFFAOYSA-N 1 0 395.981 4.361 40 0 GIABRO C[C@H]1CCC[N@H+](C[C@H](O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)C1 ZINC000036741211 570569421 /nfs/dbraw/zinc/56/94/21/570569421.db2.gz CIHOOYRCGOLJIW-SBUREZEXSA-N 1 0 396.506 4.184 40 0 GIABRO O=C(NCCSC1CCCCC1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038852821 570588196 /nfs/dbraw/zinc/58/81/96/570588196.db2.gz DOUABADVHFJMNZ-SFHVURJKSA-N 1 0 378.557 4.220 40 0 GIABRO O=C(NCCSC1CCCCC1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038852823 570588313 /nfs/dbraw/zinc/58/83/13/570588313.db2.gz DOUABADVHFJMNZ-GOSISDBHSA-N 1 0 378.557 4.220 40 0 GIABRO CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225606798 570593158 /nfs/dbraw/zinc/59/31/58/570593158.db2.gz RRLNRSHAVANTEW-PGRDOPGGSA-N 1 0 376.541 4.330 40 0 GIABRO CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225606839 570593200 /nfs/dbraw/zinc/59/32/00/570593200.db2.gz KGBOAEKYMOGINX-YYDVJCTNSA-N 1 0 390.568 4.433 40 0 GIABRO CCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225612271 570593964 /nfs/dbraw/zinc/59/39/64/570593964.db2.gz FPZXERFFMVDAOV-AVRDEDQJSA-N 1 0 376.541 4.474 40 0 GIABRO CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225618666 570594894 /nfs/dbraw/zinc/59/48/94/570594894.db2.gz QKQRDVLFHOXZBV-XMSQKQJNSA-N 1 0 376.541 4.331 40 0 GIABRO CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225623339 570595694 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O[C@@H](C[NH+]1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc2ccccc2c1 ZINC000012293577 570633912 /nfs/dbraw/zinc/63/39/12/570633912.db2.gz GOQSFCPKIPESES-GOTSBHOMSA-N 1 0 389.495 4.224 40 0 GIABRO CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872924 570637558 /nfs/dbraw/zinc/63/75/58/570637558.db2.gz XKKWYCWHDNWXBJ-QHCPKHFHSA-N 1 0 380.532 4.373 40 0 GIABRO COc1ccccc1CCCNC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000044906710 570642004 /nfs/dbraw/zinc/64/20/04/570642004.db2.gz ZCJCJCYUIWUEBK-UHFFFAOYSA-N 1 0 380.532 4.290 40 0 GIABRO CCOC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)c1 ZINC000044911460 570642245 /nfs/dbraw/zinc/64/22/45/570642245.db2.gz DOVDXUZWNRUHEU-UHFFFAOYSA-N 1 0 380.488 4.022 40 0 GIABRO CCOC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000044911457 570642510 /nfs/dbraw/zinc/64/25/10/570642510.db2.gz IUYYFNOEDPVUPM-UHFFFAOYSA-N 1 0 380.488 4.022 40 0 GIABRO COc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1OC ZINC000004887916 570642533 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Cc1ccc(C[N@@H+]2CC[C@]3(C2)COCc2c(C)nc(-c4ccccc4)nc23)cc1 ZINC000096244649 211324521 /nfs/dbraw/zinc/32/45/21/211324521.db2.gz SYFWBXDTNVZPNY-VWLOTQADSA-N 1 0 385.511 4.434 40 0 GIABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)COCc2c(C)nc(-c4ccccc4)nc23)cc1 ZINC000096244648 211324162 /nfs/dbraw/zinc/32/41/62/211324162.db2.gz SYFWBXDTNVZPNY-RUZDIDTESA-N 1 0 385.511 4.434 40 0 GIABRO O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096100273 211302273 /nfs/dbraw/zinc/30/22/73/211302273.db2.gz PLCMRYQWVLDZLF-QFIPXVFZSA-N 1 0 378.491 4.401 40 0 GIABRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@H](CC(=O)NC2CC2)c2ccccc2O3)o1 ZINC000096053424 211299492 /nfs/dbraw/zinc/29/94/92/211299492.db2.gz KDHAMUXLAJCJEK-SFHVURJKSA-N 1 0 394.515 4.158 40 0 GIABRO CCN(CC)C(=O)C[C@H]1CC2(CC[NH+](Cc3ccccn3)CC2)c2ccccc21 ZINC000096053048 211298329 /nfs/dbraw/zinc/29/83/29/211298329.db2.gz AQNBMEZRNRDBLU-FQEVSTJZSA-N 1 0 391.559 4.361 40 0 GIABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccco3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053083 211297648 /nfs/dbraw/zinc/29/76/48/211297648.db2.gz IZFAJEKGRHDFRY-LJQANCHMSA-N 1 0 394.515 4.097 40 0 GIABRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@@H](CC(=O)NC2CC2)c2ccccc2O3)o1 ZINC000096053425 211297801 /nfs/dbraw/zinc/29/78/01/211297801.db2.gz KDHAMUXLAJCJEK-GOSISDBHSA-N 1 0 394.515 4.158 40 0 GIABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccncc3)CC2)c2ccccc21)NCC1CC1 ZINC000096052681 211296781 /nfs/dbraw/zinc/29/67/81/211296781.db2.gz YSOSIWXTARBOEA-OAQYLSRUSA-N 1 0 389.543 4.019 40 0 GIABRO COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCC[N@@H+]1CC(C)(C)C ZINC000072370379 211103609 /nfs/dbraw/zinc/10/36/09/211103609.db2.gz XKLNECJHNGUJPQ-MRXNPFEDSA-N 1 0 388.577 4.331 40 0 GIABRO COc1cccc(OCCc2cc([C@@H]3CC[N@H+](Cc4ccc(F)cc4)C3)[nH]n2)c1 ZINC000072371211 211103263 /nfs/dbraw/zinc/10/32/63/211103263.db2.gz JSOAMIPFZRMPQF-GOSISDBHSA-N 1 0 395.478 4.168 40 0 GIABRO CCn1ccc(-c2cc(NC[C@@H](c3ccccc3Cl)[NH+](C)C)nc(C)n2)n1 ZINC000072373354 211102861 /nfs/dbraw/zinc/10/28/61/211102861.db2.gz ZNPOQXSQEDEUJC-IBGZPJMESA-N 1 0 384.915 4.037 40 0 GIABRO CCn1cc(C[N@@H+]2CCC[C@H](c3cccc(Nc4ncccc4C)n3)C2)c(C)n1 ZINC000072376057 211104476 /nfs/dbraw/zinc/10/44/76/211104476.db2.gz GUJCIZMTVVSPOG-IBGZPJMESA-N 1 0 390.535 4.433 40 0 GIABRO Nc1cc(-c2c[nH]nc2[C@@H]2CCCC[N@@H+]2CCCOc2ccccc2)ccn1 ZINC000072357474 211098666 /nfs/dbraw/zinc/09/86/66/211098666.db2.gz WGLLKSRQVLCWNG-FQEVSTJZSA-N 1 0 377.492 4.050 40 0 GIABRO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCC[N@@H+]2CCOc2ccc(F)cc2)n1 ZINC000072354861 211098435 /nfs/dbraw/zinc/09/84/35/211098435.db2.gz XVKZLFBTYGTOJK-HXUWFJFHSA-N 1 0 396.441 4.220 40 0 GIABRO CCOC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c1C ZINC000044911658 210817380 /nfs/dbraw/zinc/81/73/80/210817380.db2.gz BKFBJTCDAARDLJ-UHFFFAOYSA-N 1 0 394.515 4.331 40 0 GIABRO Cc1nc([C@@H]2CCCC[N@@H+]2C2CCCC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019764682 210294656 /nfs/dbraw/zinc/29/46/56/210294656.db2.gz ZSDNLFULSWTEFC-NRFANRHFSA-N 1 0 396.510 4.324 40 0 GIABRO C[C@]1(C2CC[NH+](C3CCOCC3)CC2)CCCCN(CCc2ccccc2)C1=O ZINC000019744975 210292175 /nfs/dbraw/zinc/29/21/75/210292175.db2.gz DFXDZFZBOLJKNI-RUZDIDTESA-N 1 0 398.591 4.139 40 0 GIABRO Cc1nc2ccccn2c1C[N@H+]1CCC[C@H]1c1cc(-c2cnn(C)c2)cc(C)n1 ZINC000019691003 210281143 /nfs/dbraw/zinc/28/11/43/210281143.db2.gz OEOFTIFPVLGYOQ-NRFANRHFSA-N 1 0 386.503 4.084 40 0 GIABRO C[NH+](C)CC[C@@H](NC(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1)c1ccccc1 ZINC000019662338 210279160 /nfs/dbraw/zinc/27/91/60/210279160.db2.gz WMWJGZXHWGCJGT-OAHLLOKOSA-N 1 0 390.409 4.005 40 0 GIABRO C[N@@H+]1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)c1nccc2ccccc21 ZINC000019589248 210273590 /nfs/dbraw/zinc/27/35/90/210273590.db2.gz ZQVSOHAEZZAPPS-MQSCRBSSSA-N 1 0 389.474 4.076 40 0 GIABRO COc1ccc([C@@H]2C[N@H+](Cc3cc(C)c(OC)cc3C)C[C@H]2c2cc[nH]n2)cc1 ZINC000012128624 221155279 /nfs/dbraw/zinc/15/52/79/221155279.db2.gz DHYDUVXVJBKEMG-FCHUYYIVSA-N 1 0 391.515 4.427 40 0 GIABRO O=C1CCCN1C[C@@H]1CCC[N@@H+](CC2(c3ccc(Cl)cc3Cl)CC2)C1 ZINC000012364533 221184920 /nfs/dbraw/zinc/18/49/20/221184920.db2.gz VMKSBSDSFDTNRG-OAHLLOKOSA-N 1 0 381.347 4.359 40 0 GIABRO Cc1ccc(S(=O)(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000408604819 534205974 /nfs/dbraw/zinc/20/59/74/534205974.db2.gz FIJFCFIYMSXYRR-UHFFFAOYSA-N 1 0 398.572 4.062 40 0 GIABRO CC(C)c1nc(N2CCc3ccc(Br)cc3C2)cc(NC2CC2)[nH+]1 ZINC000329051457 570215176 /nfs/dbraw/zinc/21/51/76/570215176.db2.gz UXOUKWSWZWFDER-UHFFFAOYSA-N 1 0 387.325 4.500 40 0 GIABRO OCC[N@@H+]1CCC[C@@H]1CCc1ccc(Nc2ncc(-c3ccccc3)s2)nc1 ZINC000585263044 570230992 /nfs/dbraw/zinc/23/09/92/570230992.db2.gz XAWYASAASJCZKP-LJQANCHMSA-N 1 0 394.544 4.338 40 0 GIABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(C)cc3C)CC2)cc1 ZINC000585270115 570238601 /nfs/dbraw/zinc/23/86/01/570238601.db2.gz FRDJSOSDSNHGAV-DEOSSOPVSA-N 1 0 396.531 4.058 40 0 GIABRO CCOc1ccc(C[NH2+][C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)cc1 ZINC000585288936 570256918 /nfs/dbraw/zinc/25/69/18/570256918.db2.gz LJABUQKWQUDSNK-PWRODBHTSA-N 1 0 375.896 4.189 40 0 GIABRO C[N@@H+]1CCCC[C@H](n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)C1 ZINC000022002228 570301500 /nfs/dbraw/zinc/30/15/00/570301500.db2.gz OEYDBWKMXFZENQ-SFHVURJKSA-N 1 0 381.907 4.298 40 0 GIABRO O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000022068170 570304323 /nfs/dbraw/zinc/30/43/23/570304323.db2.gz VJHNODNCVVSWKE-UHFFFAOYSA-N 1 0 377.488 4.052 40 0 GIABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216467 570317387 /nfs/dbraw/zinc/31/73/87/570317387.db2.gz VSNSVOSKRVVHBQ-LJQANCHMSA-N 1 0 388.556 4.076 40 0 GIABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216480 570317423 /nfs/dbraw/zinc/31/74/23/570317423.db2.gz UFAMEDMPFIVVNN-LJQANCHMSA-N 1 0 388.556 4.076 40 0 GIABRO COC(=O)c1ccc(-c2ccc(C[NH2+]CCc3ccc(OC)c(OC)c3)o2)cc1 ZINC000022076816 570320952 /nfs/dbraw/zinc/32/09/52/570320952.db2.gz UPUCDBICUHZFDA-UHFFFAOYSA-N 1 0 395.455 4.083 40 0 GIABRO CCOc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccco2)cc1 ZINC000004888021 570415770 /nfs/dbraw/zinc/41/57/70/570415770.db2.gz DKEHDHZBWVQWMT-YQQQUEKLSA-N 1 0 383.492 4.386 40 0 GIABRO CC[NH+](CC)CCn1nc(Cc2ccc(OC(C)C)cc2)c2ccccc2c1=O ZINC000005469650 570441248 /nfs/dbraw/zinc/44/12/48/570441248.db2.gz ZZMIIPADNVKBIR-UHFFFAOYSA-N 1 0 393.531 4.116 40 0 GIABRO CC(C)(C)NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039743441 570446942 /nfs/dbraw/zinc/44/69/42/570446942.db2.gz ZZBSPCWVWUKRGI-UHFFFAOYSA-N 1 0 393.531 4.066 40 0 GIABRO CC(C)c1ccccc1OCCNC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000223794115 570485363 /nfs/dbraw/zinc/48/53/63/570485363.db2.gz PCSLMQZBPPFXRR-UHFFFAOYSA-N 1 0 398.522 4.356 40 0 GIABRO COc1ccc(OC[C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000260449414 570488069 /nfs/dbraw/zinc/48/80/69/570488069.db2.gz SEGWARJBIPNQCT-RBUKOAKNSA-N 1 0 396.531 4.124 40 0 GIABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCOc3cccc(C)c3C)CC2)c1 ZINC000223948277 570491368 /nfs/dbraw/zinc/49/13/68/570491368.db2.gz MGTASSVQQYNLCS-UHFFFAOYSA-N 1 0 380.532 4.019 40 0 GIABRO CCSc1nnc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)s1 ZINC000223958639 570491929 /nfs/dbraw/zinc/49/19/29/570491929.db2.gz GAFKJJVJVQISID-UHFFFAOYSA-N 1 0 396.969 4.154 40 0 GIABRO CC[NH+](CC)CCCN[C@@H](c1ccc(OC)c(OC)c1)C(Cl)(Cl)Cl ZINC000031939006 570507536 /nfs/dbraw/zinc/50/75/36/570507536.db2.gz JBAYWFJJBDOWFT-INIZCTEOSA-N 1 0 397.774 4.437 40 0 GIABRO Cc1ccccc1OCCNC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000224532678 570516719 /nfs/dbraw/zinc/51/67/19/570516719.db2.gz JPWOJXRWWUCCBK-UHFFFAOYSA-N 1 0 386.923 4.056 40 0 GIABRO CCCc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000224552062 570518244 /nfs/dbraw/zinc/51/82/44/570518244.db2.gz GVVMSLZGPINFEM-UHFFFAOYSA-N 1 0 398.522 4.185 40 0 GIABRO CC(C)Sc1nnc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)s1 ZINC000224679123 570524554 /nfs/dbraw/zinc/52/45/54/570524554.db2.gz WFSCKFBRDISQBH-AWEZNQCLSA-N 1 0 394.541 4.028 40 0 GIABRO C[NH+]1CCC(Oc2ccc(NC(=O)COc3cccc4c3CCCC4)cc2)CC1 ZINC000224782696 570530436 /nfs/dbraw/zinc/53/04/36/570530436.db2.gz SIHNNZCMDKRLLB-UHFFFAOYSA-N 1 0 394.515 4.056 40 0 GIABRO CCc1ccc(O[C@@H](CC)C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000224800446 570531324 /nfs/dbraw/zinc/53/13/24/570531324.db2.gz IUKHOAPKQQQAPY-QHCPKHFHSA-N 1 0 380.532 4.319 40 0 GIABRO Cc1cc(C)cc(O[C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000224840512 570533427 /nfs/dbraw/zinc/53/34/27/570533427.db2.gz WJEHUJYBRQVNFR-FQEVSTJZSA-N 1 0 380.532 4.373 40 0 GIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(Br)ccc1Cl ZINC000225073029 570547016 /nfs/dbraw/zinc/54/70/16/570547016.db2.gz BGUAZFRSRXDFJE-CQSZACIVSA-N 1 0 387.749 4.487 40 0 GIABRO S=C(Nc1ccc(Cl)cc1Cl)N1CC[NH+](C2CCSCC2)CC1 ZINC000225215804 570556950 /nfs/dbraw/zinc/55/69/50/570556950.db2.gz RLOBFVSBKSWDFH-UHFFFAOYSA-N 1 0 390.405 4.203 40 0 GIABRO CC(=O)Nc1ccc(CN(Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000036740531 570569411 /nfs/dbraw/zinc/56/94/11/570569411.db2.gz QGMSHGCUTOBJTH-UHFFFAOYSA-N 1 0 394.563 4.351 40 0 GIABRO COc1ccc(Cl)cc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038849400 570587600 /nfs/dbraw/zinc/58/76/00/570587600.db2.gz KFDNCCNZAVXGID-HNNXBMFYSA-N 1 0 376.859 4.338 40 0 GIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000225582575 570590890 /nfs/dbraw/zinc/59/08/90/570590890.db2.gz HQYKXWLNKLQAKX-OAHLLOKOSA-N 1 0 397.972 4.068 40 0 GIABRO CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225607288 570593255 /nfs/dbraw/zinc/59/32/55/570593255.db2.gz PRVAPHVSBRMOOA-QFIPXVFZSA-N 1 0 376.541 4.331 40 0 GIABRO CCCC[C@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225618761 570594840 /nfs/dbraw/zinc/59/48/40/570594840.db2.gz NDYPPFRVIJOHAF-AVRDEDQJSA-N 1 0 376.541 4.474 40 0 GIABRO CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000225618595 570594918 /nfs/dbraw/zinc/59/49/18/570594918.db2.gz ZRAHWDNVMPWOAJ-JOCHJYFZSA-N 1 0 376.541 4.331 40 0 GIABRO COC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCCCC1 ZINC000225628856 570596186 /nfs/dbraw/zinc/59/61/86/570596186.db2.gz SWGKOVUOEBTTNG-LJQANCHMSA-N 1 0 388.552 4.475 40 0 GIABRO CCCOC1(C(=O)Nc2ccc(OCC[NH+]3CCCC3)cc2)CCC(C)CC1 ZINC000225668493 570600598 /nfs/dbraw/zinc/60/05/98/570600598.db2.gz SSXGVMNCUUSHFB-UHFFFAOYSA-N 1 0 388.552 4.475 40 0 GIABRO CCCO[C@@](C)(C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1)C1CC1 ZINC000225671999 570600971 /nfs/dbraw/zinc/60/09/71/570600971.db2.gz SATCEJMGZDBSMG-HSZRJFAPSA-N 1 0 388.552 4.331 40 0 GIABRO CCO[C@@](C)(C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1)C1CC1 ZINC000225724132 570609161 /nfs/dbraw/zinc/60/91/61/570609161.db2.gz GXQVJLNGDVMJGC-HSZRJFAPSA-N 1 0 388.552 4.331 40 0 GIABRO CCCO[C@](C)(CC)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000225730303 570610193 /nfs/dbraw/zinc/61/01/93/570610193.db2.gz DBOSKRQTHVLREE-JOCHJYFZSA-N 1 0 376.541 4.331 40 0 GIABRO Cc1oc2ccc(O)cc2c1C(=O)NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000012199304 570623846 /nfs/dbraw/zinc/62/38/46/570623846.db2.gz UPEUKDXTLPZPDC-LJQANCHMSA-N 1 0 382.435 4.153 40 0 GIABRO Cc1oc2ccc(O)cc2c1C(=O)NC[C@H](c1ccccc1F)[NH+]1CCCC1 ZINC000012200941 570624476 /nfs/dbraw/zinc/62/44/76/570624476.db2.gz UTPIDLSCHXLNCL-LJQANCHMSA-N 1 0 382.435 4.153 40 0 GIABRO Cc1ccc([C@H](O)C[NH+]2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000012292187 570633275 /nfs/dbraw/zinc/63/32/75/570633275.db2.gz NVSUEPUFZJBFGK-LJQANCHMSA-N 1 0 379.422 4.031 40 0 GIABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2)c1ccccc1 ZINC000012293359 570633841 /nfs/dbraw/zinc/63/38/41/570633841.db2.gz MBPVCSLHIRXDDK-PKTZIBPZSA-N 1 0 389.495 4.224 40 0 GIABRO CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872929 570637573 /nfs/dbraw/zinc/63/75/73/570637573.db2.gz XKKWYCWHDNWXBJ-HSZRJFAPSA-N 1 0 380.532 4.373 40 0 GIABRO CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044873176 570637631 /nfs/dbraw/zinc/63/76/31/570637631.db2.gz ZYLABMQCSSRJEG-NRFANRHFSA-N 1 0 386.923 4.410 40 0 GIABRO CC[C@H](Oc1ccccc1OC)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875443 570638025 /nfs/dbraw/zinc/63/80/25/570638025.db2.gz WNUYPRYHJBRCLB-NRFANRHFSA-N 1 0 396.531 4.155 40 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0 GIABRO Cc1ccccc1NC(=[NH2+])Nc1nc(CSc2ccc(Cl)cc2)cc(=O)[nH]1 ZINC000009264438 570775369 /nfs/dbraw/zinc/77/53/69/570775369.db2.gz IHXQUVYLJDNZPD-UHFFFAOYSA-N 1 0 399.907 4.483 40 0 GIABRO O=C(C[NH2+]Cc1ccc(Cl)cc1)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000015935443 570909001 /nfs/dbraw/zinc/90/90/01/570909001.db2.gz HSCQWVTZPVPACM-UHFFFAOYSA-N 1 0 399.922 4.085 40 0 GIABRO O=C(CC1CCOCC1)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]21 ZINC000585109810 570938765 /nfs/dbraw/zinc/93/87/65/570938765.db2.gz WNKOFNCUXDWLPJ-SONWIMMPSA-N 1 0 396.575 4.270 40 0 GIABRO Cc1cc(C)cc(C2(C(=O)N[C@H](C)CC[NH+]3CCCCCC3)CCOCC2)c1 ZINC000019717578 571039919 /nfs/dbraw/zinc/03/99/19/571039919.db2.gz CZUNDFIMPRCCNG-OAQYLSRUSA-N 1 0 386.580 4.122 40 0 GIABRO COc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@H](C3)C[N@H+](Cc3cccs3)C2)cc1 ZINC000020503355 575369606 /nfs/dbraw/zinc/36/96/06/575369606.db2.gz WZPCNJINMOWRMM-FUHWJXTLSA-N 1 0 392.524 4.205 40 0 biogenic,in-vitro GIABRO 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ZINC000019498692 210253741 /nfs/dbraw/zinc/25/37/41/210253741.db2.gz WAYYMRICDSPSIJ-IBGZPJMESA-N 1 0 390.531 4.311 40 0 GIABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)CC(C)C)c3ccccn3)C2)c1 ZINC000019446666 210249674 /nfs/dbraw/zinc/24/96/74/210249674.db2.gz ZKHZGQPOXIOMLL-GBXCKJPGSA-N 1 0 395.547 4.206 40 0 GIABRO CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3C[C@@H]3CCOC3)cc2N1 ZINC000019451294 210248102 /nfs/dbraw/zinc/24/81/02/210248102.db2.gz OWPRLUNJDLJKOA-XJNFMUPTSA-N 1 0 386.462 4.000 40 0 GIABRO O=C(C1CCC1)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](Cc3ccsc3)CC[C@H]21 ZINC000019406531 210248250 /nfs/dbraw/zinc/24/82/50/210248250.db2.gz DBIJRSZPIHQDFL-VAMGGRTRSA-N 1 0 386.586 4.426 40 0 GIABRO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](CC2CCCCC2)C1)c1ccccn1 ZINC000019400486 210245640 /nfs/dbraw/zinc/24/56/40/210245640.db2.gz RDCZZDSXLRNKBC-NZQKXSOJSA-N 1 0 392.547 4.240 40 0 GIABRO CNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CC[N@H+](Cc2cccc(C)n2)C1 ZINC000019236132 210233866 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376.529 4.010 40 0 GIABRO Cc1ccsc1C[N@@H+]1CC[C@@]2(CN(C(=O)c3ccsc3)c3cccnc32)C1 ZINC000306144669 212055141 /nfs/dbraw/zinc/05/51/41/212055141.db2.gz ZLSNUVBBXYFKPW-NRFANRHFSA-N 1 0 395.553 4.317 40 0 GIABRO Fc1cccc(-c2ccc3nc([C@@H]4CCC[N@H+](Cc5cccnc5)C4)nn3c2)c1 ZINC000306140816 212052966 /nfs/dbraw/zinc/05/29/66/212052966.db2.gz VEOZHIPCRSTAJE-HXUWFJFHSA-N 1 0 387.462 4.310 40 0 GIABRO CC(C)CN1c2ccccc2C2(CC[NH+](Cc3ccsc3)CC2)S1(=O)=O ZINC000306139261 212052852 /nfs/dbraw/zinc/05/28/52/212052852.db2.gz STMNSDJJYBVMJU-UHFFFAOYSA-N 1 0 390.574 4.045 40 0 GIABRO Cc1ccc(C[N@@H+]2CC[C@@]3(CN(C(=O)c4ccsc4)c4cccnc43)C2)s1 ZINC000306132722 212049406 /nfs/dbraw/zinc/04/94/06/212049406.db2.gz LQILQEPBYKZMOW-NRFANRHFSA-N 1 0 395.553 4.317 40 0 GIABRO Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)N(Cc2ccc(F)cc2)C(=O)c2cccn23)s1 ZINC000306131080 212049104 /nfs/dbraw/zinc/04/91/04/212049104.db2.gz JVYXNAJAEQDNCF-RTWAWAEBSA-N 1 0 395.503 4.079 40 0 GIABRO c1coc(C[NH+]2CCC3(CC2)Oc2ccccc2-c2ncn(CC4CC4)c23)c1 ZINC000306126371 212044729 /nfs/dbraw/zinc/04/47/29/212044729.db2.gz DTPXWBALRYZYRY-UHFFFAOYSA-N 1 0 375.472 4.437 40 0 GIABRO CNc1ncccc1C[NH+]1CCC(c2ccnc(-c3c(C)noc3C)c2)CC1 ZINC000257322970 212023647 /nfs/dbraw/zinc/02/36/47/212023647.db2.gz WIGZTLUIUCTOKU-UHFFFAOYSA-N 1 0 377.492 4.170 40 0 GIABRO Cc1ccc(C(=O)CCC[N@@H+]2CC[C@H](c3nc(-c4ccccc4)no3)C2)cc1 ZINC000257296547 212020802 /nfs/dbraw/zinc/02/08/02/212020802.db2.gz RDHLMJGVOHIQGZ-FQEVSTJZSA-N 1 0 375.472 4.497 40 0 GIABRO COc1ccccc1OCc1cc([C@@H]2CC[N@H+](Cc3ccc(F)cc3)C2)n[nH]1 ZINC000257267976 212013874 /nfs/dbraw/zinc/01/38/74/212013874.db2.gz MJTDCZIJGFFTPQ-QGZVFWFLSA-N 1 0 381.451 4.126 40 0 GIABRO O=C(C[NH+]1CCCCC1)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257247408 212011262 /nfs/dbraw/zinc/01/12/62/212011262.db2.gz IYXJXHBKVWEMDD-LJQANCHMSA-N 1 0 387.911 4.068 40 0 GIABRO O=C(Nc1ccc(N2CCCC2)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000096627726 211344741 /nfs/dbraw/zinc/34/47/41/211344741.db2.gz JQJNERCKHSFXES-LJQANCHMSA-N 1 0 381.495 4.277 40 0 GIABRO CCS(=O)(=O)N1CCC[C@]2(CCC[N@@H+]2Cc2ccc(-c3ccccc3)cc2)C1 ZINC000096071276 211297826 /nfs/dbraw/zinc/29/78/26/211297826.db2.gz MNSZGSLDLGOUET-HSZRJFAPSA-N 1 0 398.572 4.134 40 0 GIABRO CC(C)NC(=O)C[C@H]1CC2(CC[NH+](Cc3ccccn3)CC2)c2ccccc21 ZINC000096052630 211297110 /nfs/dbraw/zinc/29/71/10/211297110.db2.gz FQTGRHNTXNNJJP-IBGZPJMESA-N 1 0 377.532 4.017 40 0 GIABRO Cc1ccc(C[NH+]2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3C)s1 ZINC000096036983 211296467 /nfs/dbraw/zinc/29/64/67/211296467.db2.gz BOZHODLRLSLTMS-UHFFFAOYSA-N 1 0 392.572 4.357 40 0 GIABRO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H]([C@H](NC(=O)C2CC2)c2ccccn2)C1 ZINC000072398562 211112895 /nfs/dbraw/zinc/11/28/95/211112895.db2.gz PJTRSEHMOFUPPA-PPIOEHGWSA-N 1 0 389.543 4.464 40 0 GIABRO CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CC[N@H+](CC2CCCCC2)C1 ZINC000072391088 211111115 /nfs/dbraw/zinc/11/11/15/211111115.db2.gz VIWIUXFZIWCZKO-RUZDIDTESA-N 1 0 391.559 4.310 40 0 GIABRO Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1C[C@@H]2CC[C@@](O)(c3ncccc3C)[C@@H]2C1 ZINC000072392527 211110022 /nfs/dbraw/zinc/11/00/22/211110022.db2.gz KPXBSUSZQCHKHD-QUZZAMIASA-N 1 0 379.479 4.048 40 0 GIABRO CCn1cc(C[NH+]2CCC(c3ccc(Nc4ncccc4C)cn3)CC2)c(C)n1 ZINC000072374258 211105530 /nfs/dbraw/zinc/10/55/30/211105530.db2.gz RXEBSDBPSVNRLD-UHFFFAOYSA-N 1 0 390.535 4.433 40 0 GIABRO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000072344784 211095448 /nfs/dbraw/zinc/09/54/48/211095448.db2.gz FNFCFXKZBPRWKP-NRFANRHFSA-N 1 0 388.515 4.062 40 0 GIABRO Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCC[N@@H+]2CCOc2ccc(F)cc2)n1 ZINC000072354859 211099338 /nfs/dbraw/zinc/09/93/38/211099338.db2.gz FEGCIVIWWWSNLG-HXUWFJFHSA-N 1 0 396.441 4.220 40 0 GIABRO NC(=O)c1cccc(-c2cccc([C@@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)n2)c1 ZINC000072348591 211096020 /nfs/dbraw/zinc/09/60/20/211096020.db2.gz GBMOZUJYLWCEQI-HXUWFJFHSA-N 1 0 389.474 4.366 40 0 GIABRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)CC(C)C)c3ccccn3)C2)c1 ZINC000072330383 211092004 /nfs/dbraw/zinc/09/20/04/211092004.db2.gz ZKHZGQPOXIOMLL-YKSBVNFPSA-N 1 0 395.547 4.206 40 0 GIABRO COc1ccccc1C[N@@H+]1CCC[C@H]([C@H](NC(=O)CC(C)C)c2ccccn2)C1 ZINC000072330382 211091384 /nfs/dbraw/zinc/09/13/84/211091384.db2.gz OWBSAKCTQZGDKT-RDPSFJRHSA-N 1 0 395.547 4.206 40 0 GIABRO CCOC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1C ZINC000044911694 210817149 /nfs/dbraw/zinc/81/71/49/210817149.db2.gz FRCVECIPDBWLTB-UHFFFAOYSA-N 1 0 398.478 4.162 40 0 GIABRO COc1ccc([C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1OC ZINC000020107038 210315826 /nfs/dbraw/zinc/31/58/26/210315826.db2.gz VYWLKICTLZXXAX-QZTJIDSGSA-N 1 0 396.531 4.427 40 0 GIABRO COc1ccccc1C[N@@H+]1CCC[C@@H](c2cc(C(=O)NC3CCCCC3)on2)C1 ZINC000019570297 210268307 /nfs/dbraw/zinc/26/83/07/210268307.db2.gz HNKKRTBEDNQKCQ-QGZVFWFLSA-N 1 0 397.519 4.125 40 0 GIABRO CC(C)[C@@H]([NH2+]Cc1ccc(F)cc1)c1cc(=O)n2nc(-c3ccccn3)cc2[nH]1 ZINC000100744444 519799178 /nfs/dbraw/zinc/79/91/78/519799178.db2.gz KKOCJOVNNHYTFI-JOCHJYFZSA-N 1 0 391.450 4.123 40 0 GIABRO COc1ccc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(-c5ccccc5)c43)C2)cc1 ZINC000004258815 560197973 /nfs/dbraw/zinc/19/79/73/560197973.db2.gz MVMYLJBOPMRACS-PZJWPPBQSA-N 1 0 386.495 4.143 40 0 biogenic,in-vitro GIABRO Cc1cnc(Nc2cccc(CC3CC[NH+](Cc4ccncc4)CC3)n2)s1 ZINC000585262475 570230482 /nfs/dbraw/zinc/23/04/82/570230482.db2.gz AKBIBXSNWCMPTQ-UHFFFAOYSA-N 1 0 379.533 4.440 40 0 GIABRO O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1[NH+]1CCC(C(F)(F)F)CC1 ZINC000585288799 570256713 /nfs/dbraw/zinc/25/67/13/570256713.db2.gz ABMDRXNHSRMPGY-GVDBMIGSSA-N 1 0 377.834 4.275 40 0 GIABRO CC(C)(C)[C@H]1CC[C@H]([N@@H+]2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585288066 570258950 /nfs/dbraw/zinc/25/89/50/570258950.db2.gz VHWZPWBOIKNBFL-HOIFWPIMSA-N 1 0 397.506 4.012 40 0 GIABRO CC[NH+](CC)CCNCc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000022075763 570321525 /nfs/dbraw/zinc/32/15/25/570321525.db2.gz KBDYJTBNKDBWHD-UHFFFAOYSA-N 1 0 394.918 4.498 40 0 GIABRO O=C(CSCc1cccc(Cl)c1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024115066 570379279 /nfs/dbraw/zinc/37/92/79/570379279.db2.gz KEYPMSPUESKGJV-UHFFFAOYSA-N 1 0 388.964 4.485 40 0 GIABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cccnc1)Cc1ccc(OC(C)C)c(OC)c1 ZINC000022931876 570379768 /nfs/dbraw/zinc/37/97/68/570379768.db2.gz ADRUQHQZVMIWDF-JOCHJYFZSA-N 1 0 397.563 4.364 40 0 GIABRO CCOc1cc(CN(Cc2cccnc2)C[C@H]2CCC[N@@H+]2CC)c(C)cc1OC ZINC000022931884 570379776 /nfs/dbraw/zinc/37/97/76/570379776.db2.gz YEVZCKAOCDOADW-JOCHJYFZSA-N 1 0 397.563 4.284 40 0 GIABRO CC(C)c1ccccc1OCC(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000222815335 570427405 /nfs/dbraw/zinc/42/74/05/570427405.db2.gz AUSYAEMGVDVMJM-UHFFFAOYSA-N 1 0 382.504 4.301 40 0 GIABRO CCOC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000039748200 570447036 /nfs/dbraw/zinc/44/70/36/570447036.db2.gz ZHABWOXYSOXUHP-UHFFFAOYSA-N 1 0 380.488 4.022 40 0 GIABRO C[C@H](NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc2c(c1)CCC2 ZINC000223225559 570450945 /nfs/dbraw/zinc/45/09/45/570450945.db2.gz PNUJXVFOYRYCFC-KRWDZBQOSA-N 1 0 380.507 4.404 40 0 GIABRO COc1ccc(OC)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000223671993 570477915 /nfs/dbraw/zinc/47/79/15/570477915.db2.gz HLVIJFKHSMZDAV-GOSISDBHSA-N 1 0 396.531 4.102 40 0 GIABRO COc1ccc(OC)c([C@@H](C)NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000223759204 570483538 /nfs/dbraw/zinc/48/35/38/570483538.db2.gz BYFNTKTYHLYLDS-GOSISDBHSA-N 1 0 396.531 4.102 40 0 GIABRO CCc1ccc(CC)c(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000224015793 570494602 /nfs/dbraw/zinc/49/46/02/570494602.db2.gz WEYKWPKDKZWBNJ-OAQYLSRUSA-N 1 0 382.523 4.479 40 0 GIABRO CCOC(=O)c1cc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)ccc1Cl ZINC000030862588 570499537 /nfs/dbraw/zinc/49/95/37/570499537.db2.gz DNVDBQJLMNJDFY-UHFFFAOYSA-N 1 0 386.879 4.365 40 0 GIABRO C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000032426200 570510362 /nfs/dbraw/zinc/51/03/62/570510362.db2.gz IJKGTGZIXMMRRF-KRWDZBQOSA-N 1 0 386.923 4.410 40 0 GIABRO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000032896599 570514965 /nfs/dbraw/zinc/51/49/65/570514965.db2.gz DPLJKSZLSKHBJU-GOSISDBHSA-N 1 0 395.547 4.142 40 0 GIABRO CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224623480 570520827 /nfs/dbraw/zinc/52/08/27/570520827.db2.gz ZYQCHRBJCLVREE-IBGZPJMESA-N 1 0 380.532 4.490 40 0 GIABRO Cc1cc(C)cc(O[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000224685558 570524302 /nfs/dbraw/zinc/52/43/02/570524302.db2.gz ZHZUYCNHJNNNTI-FQEVSTJZSA-N 1 0 380.532 4.373 40 0 GIABRO O=C(COc1cccc2c1CCCC2)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224698933 570525703 /nfs/dbraw/zinc/52/57/03/570525703.db2.gz GEWWBKFUYJTNGT-UHFFFAOYSA-N 1 0 392.543 4.247 40 0 GIABRO Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000224832332 570533128 /nfs/dbraw/zinc/53/31/28/570533128.db2.gz NFGDCWCPVOZFTJ-FQEVSTJZSA-N 1 0 380.532 4.373 40 0 GIABRO CC[C@@H](Oc1ccccc1OC)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224840620 570533456 /nfs/dbraw/zinc/53/34/56/570533456.db2.gz PWGCSKWPMUKBDC-OAQYLSRUSA-N 1 0 396.531 4.155 40 0 GIABRO COc1ccc2[nH]cc([C@@H](O)C[N@@H+]3CCC[C@H](COc4ccccc4F)C3)c2c1 ZINC000036743796 570569876 /nfs/dbraw/zinc/56/98/76/570569876.db2.gz LXLWQXIHUUKAHK-AOMKIAJQSA-N 1 0 398.478 4.140 40 0 GIABRO C[C@@H]1C[C@@H](C)C[NH+](CCOc2ccc(NC(=O)C(C)(C)Br)cc2)C1 ZINC000225594603 570592348 /nfs/dbraw/zinc/59/23/48/570592348.db2.gz BQMPVJFUGXWTTB-HUUCEWRRSA-N 1 0 397.357 4.155 40 0 GIABRO CCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000225612111 570593797 /nfs/dbraw/zinc/59/37/97/570593797.db2.gz FLFCESIKEJIDHC-JOCHJYFZSA-N 1 0 376.541 4.331 40 0 GIABRO CCCO[C@@](C)(C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000225672155 570601015 /nfs/dbraw/zinc/60/10/15/570601015.db2.gz DOOYCVOGEWQIFB-FDDCHVKYSA-N 1 0 388.552 4.474 40 0 GIABRO CC(C)(C)c1n[nH]cc1C[NH+]1CCC(c2nc3ccc(F)cc3cc2N)CC1 ZINC000012087931 570606603 /nfs/dbraw/zinc/60/66/03/570606603.db2.gz KMMXOSTVBVUCNB-UHFFFAOYSA-N 1 0 381.499 4.356 40 0 GIABRO COc1ccc(-c2c(C)nn3c2nc(C)cc3NCC(C)(C)C[NH+](C)C)cc1 ZINC000012113330 570609064 /nfs/dbraw/zinc/60/90/64/570609064.db2.gz KZATVGULCUJRLN-UHFFFAOYSA-N 1 0 381.524 4.021 40 0 GIABRO C[C@H](Cc1cccs1)NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000012203938 570625680 /nfs/dbraw/zinc/62/56/80/570625680.db2.gz DCFUACLRVQTPHL-OAHLLOKOSA-N 1 0 376.953 4.361 40 0 GIABRO COc1cc(C[N@H+](CCCn2ccnc2)Cc2ccc(C)s2)cc2c1OCO2 ZINC000043277890 570627112 /nfs/dbraw/zinc/62/71/12/570627112.db2.gz ADKHEGOITKEHQC-UHFFFAOYSA-N 1 0 399.516 4.083 40 0 GIABRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1sc(C)nc1-c1cc(C)ccc1C ZINC000012239708 570630096 /nfs/dbraw/zinc/63/00/96/570630096.db2.gz BPCOLHBZMVCFPA-SFHVURJKSA-N 1 0 385.577 4.268 40 0 GIABRO Cc1ccc(C2(O)CC[NH+](Cc3ccc(Oc4ncccn4)cc3)CC2)cc1 ZINC000012292885 570633697 /nfs/dbraw/zinc/63/36/97/570633697.db2.gz QCVUDNAAZPNSCD-UHFFFAOYSA-N 1 0 375.472 4.061 40 0 GIABRO Cc1cc2c(cc1Cl)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccccc3)CC1)O2 ZINC000012293356 570633773 /nfs/dbraw/zinc/63/37/73/570633773.db2.gz GKHFHKBFACPTQC-PMACEKPBSA-N 1 0 387.907 4.033 40 0 GIABRO CCOc1ccc(CCCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000044851477 570636070 /nfs/dbraw/zinc/63/60/70/570636070.db2.gz PBAUPCPQVCGYBY-UHFFFAOYSA-N 1 0 380.532 4.434 40 0 GIABRO CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872893 570637514 /nfs/dbraw/zinc/63/75/14/570637514.db2.gz VKPVGPPEWRURNB-FQEVSTJZSA-N 1 0 386.923 4.410 40 0 GIABRO CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872909 570637615 /nfs/dbraw/zinc/63/76/15/570637615.db2.gz PDAHEPFAJIJJAS-OAQYLSRUSA-N 1 0 386.923 4.410 40 0 GIABRO CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875316 570637669 /nfs/dbraw/zinc/63/76/69/570637669.db2.gz BHHUBZUSXOZWFD-QFIPXVFZSA-N 1 0 384.495 4.285 40 0 GIABRO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000045621553 570647617 /nfs/dbraw/zinc/64/76/17/570647617.db2.gz ORRPXKZMICSMGJ-LJQANCHMSA-N 1 0 395.547 4.276 40 0 GIABRO Cc1c(/C=C/c2cc[n+](C)cc2)c2ccccc2n1CC(=O)N1CCC(C)CC1 ZINC000004932949 570649583 /nfs/dbraw/zinc/64/95/83/570649583.db2.gz AVLBQASCYKDGCR-UHFFFAOYSA-N 1 0 388.535 4.203 40 0 GIABRO Cc1c(/C=C/C2=CC[N@H+](C)CC2)c2ccccc2n1CC(=O)N1CCCCC1 ZINC000004933146 570650118 /nfs/dbraw/zinc/65/01/18/570650118.db2.gz FXAYTKGRFUNDIT-ZHACJKMWSA-N 1 0 377.532 4.237 40 0 GIABRO COc1ccc(C(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000003955982 570726487 /nfs/dbraw/zinc/72/64/87/570726487.db2.gz YKJAJPZVMSZNKN-UHFFFAOYSA-N 1 0 378.516 4.214 40 0 GIABRO CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1Br ZINC000089212747 570747871 /nfs/dbraw/zinc/74/78/71/570747871.db2.gz SOGCAFQIADRZAQ-OAHLLOKOSA-N 1 0 383.330 4.328 40 0 GIABRO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2Br)C1 ZINC000089212681 570747897 /nfs/dbraw/zinc/74/78/97/570747897.db2.gz GFWQQYWGRLOOQZ-CQSZACIVSA-N 1 0 383.330 4.186 40 0 GIABRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2)C1 ZINC000089212693 570747947 /nfs/dbraw/zinc/74/79/47/570747947.db2.gz JYKVEPHZPGIOHW-HNNXBMFYSA-N 1 0 383.330 4.186 40 0 GIABRO COc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000009062634 570773798 /nfs/dbraw/zinc/77/37/98/570773798.db2.gz OODXPGWGXFXJJQ-MRXNPFEDSA-N 1 0 386.923 4.438 40 0 GIABRO O=C(CSCc1ccccc1Br)NCCC[NH+]1CCCCCC1 ZINC000010111102 570781908 /nfs/dbraw/zinc/78/19/08/570781908.db2.gz FLXQGLLABVJGOR-UHFFFAOYSA-N 1 0 399.398 4.065 40 0 GIABRO COc1ccc([C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1OC ZINC000260529671 570786847 /nfs/dbraw/zinc/78/68/47/570786847.db2.gz VYWLKICTLZXXAX-ZWKOTPCHSA-N 1 0 396.531 4.427 40 0 GIABRO COCc1ccc(C(=O)N2CCCCC[C@H]3[NH2+][C@H](Cc4ccccc4)C[C@@H]32)cc1 ZINC000019712956 570821055 /nfs/dbraw/zinc/82/10/55/570821055.db2.gz BWWVSDSXMBJTAI-SMIHKQSGSA-N 1 0 392.543 4.191 40 0 GIABRO COc1ccc(OC)c(CN(Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000013992653 570868950 /nfs/dbraw/zinc/86/89/50/570868950.db2.gz MSHCVEXTBSWALB-UHFFFAOYSA-N 1 0 397.563 4.410 40 0 GIABRO COc1ccc(C[N@@H+](Cc2ccc3ccccc3n2)C[C@@H]2CCCO2)cc1OC ZINC000013994186 570869032 /nfs/dbraw/zinc/86/90/32/570869032.db2.gz XGTYEMZNONMBFD-NRFANRHFSA-N 1 0 392.499 4.433 40 0 GIABRO Cc1nc(CN2C(=O)CC[C@@]23CCC[N@H+](CC2CCCCC2)CC3)cs1 ZINC000585099983 570926338 /nfs/dbraw/zinc/92/63/38/570926338.db2.gz BWLKHYVIDDPUFQ-OAQYLSRUSA-N 1 0 375.582 4.379 40 0 GIABRO Cc1nc(COCC[C@H]2CCOC23CC[NH+](Cc2ccco2)CC3)cs1 ZINC000585103553 570932253 /nfs/dbraw/zinc/93/22/53/570932253.db2.gz BRHOTCZZEWZNEM-KRWDZBQOSA-N 1 0 376.522 4.023 40 0 GIABRO CC[NH+](CC)[C@@H]1CCO[C@H](c2cccc(NC(=O)c3cc(C4CC4)nn3C)c2)C1 ZINC000019712235 818602677 /nfs/dbraw/zinc/60/26/77/818602677.db2.gz INHHSHJRZREVIO-KNQAVFIVSA-N 1 0 396.535 4.112 40 0 GIABRO Cc1ncsc1C(=O)N1CCCCC[C@@H]2[NH2+][C@H](Cc3ccccc3)C[C@@]21C ZINC000019713453 818603327 /nfs/dbraw/zinc/60/33/27/818603327.db2.gz GPLDRJGGOCUCNK-DXIQSLLYSA-N 1 0 383.561 4.200 40 0 GIABRO C[N@@H+]1CCCCC[C@@H]2N(C(=O)Cc3ccccn3)[C@H](c3ccccc3)C[C@@]21C ZINC000019713504 818603354 /nfs/dbraw/zinc/60/33/54/818603354.db2.gz NRPRVAQKSBRTFU-FIXSFTCYSA-N 1 0 377.532 4.231 40 0 GIABRO O=C1CCCC[C@@H]2[C@H](C[C@@H](Cc3ccc(F)cc3)[N@H+]2Cc2ccc(F)cc2)N1 ZINC000019713911 818603397 /nfs/dbraw/zinc/60/33/97/818603397.db2.gz ZREMTHOGHZTYPP-BHIFYINESA-N 1 0 384.470 4.209 40 0 GIABRO CCc1ccc(N2C[C@](O)(c3ccc(OC)cc3F)[N+]3=C2CCCCC3)cc1 ZINC000022408587 818802773 /nfs/dbraw/zinc/80/27/73/818802773.db2.gz ITUZFHUTFLQFRC-QHCPKHFHSA-N 1 0 383.487 4.047 40 0 GIABRO COc1cccc(C[N@H+](Cc2ccncc2)[C@@H]2COC[C@H]2c2ccc(F)cc2)c1 ZINC000019564661 210266538 /nfs/dbraw/zinc/26/65/38/210266538.db2.gz DQXDXGUWPVXGIS-BJKOFHAPSA-N 1 0 392.474 4.414 40 0 GIABRO COc1ccc(C[N@@H+]2CCC[C@H](c3cc(C(=O)NC4CCCCC4)on3)C2)cc1 ZINC000019555167 210261897 /nfs/dbraw/zinc/26/18/97/210261897.db2.gz GRHBTZFMFVRTMC-SFHVURJKSA-N 1 0 397.519 4.125 40 0 GIABRO Cc1sc(NC(=O)c2ccccc2OCC[NH+](C)C)nc1-c1ccc(F)cc1 ZINC000019555622 210261444 /nfs/dbraw/zinc/26/14/44/210261444.db2.gz LLCRTVSKNIIXNW-UHFFFAOYSA-N 1 0 399.491 4.450 40 0 GIABRO CCOc1ccc(C[NH+]2CCC(c3cc4ncccc4cn3)CC2)cc1OC ZINC000019533759 210259117 /nfs/dbraw/zinc/25/91/17/210259117.db2.gz FRKMUTGADMSDMA-UHFFFAOYSA-N 1 0 377.488 4.417 40 0 GIABRO COc1ccc(C2(C[NH+]3CCC(NC(=O)[C@H]4C[C@@H]4C)CC3)CCCCC2)cc1 ZINC000019495848 210252516 /nfs/dbraw/zinc/25/25/16/210252516.db2.gz WMHWRTFCOBDXBB-AVRDEDQJSA-N 1 0 384.564 4.134 40 0 GIABRO CC1CCN(C(=O)c2cc([C@H]3CCC[N@H+](Cc4cccc(F)c4)C3)no2)CC1 ZINC000019496751 210252277 /nfs/dbraw/zinc/25/22/77/210252277.db2.gz YUHHXZSXUGMDOU-SFHVURJKSA-N 1 0 385.483 4.065 40 0 GIABRO COc1ccc(CCC2CC[NH+](Cc3cnc(C(C)C)nc3)CC2)cc1OC ZINC000019454004 210250561 /nfs/dbraw/zinc/25/05/61/210250561.db2.gz SPYDLXJPFXDVSX-UHFFFAOYSA-N 1 0 383.536 4.462 40 0 GIABRO CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3C[C@@H]3CCOC3)cc2N1 ZINC000019451292 210249223 /nfs/dbraw/zinc/24/92/23/210249223.db2.gz OWPRLUNJDLJKOA-NXNVCVFFSA-N 1 0 386.462 4.000 40 0 GIABRO O[C@@]1(c2ccccn2)CC[C@H]2C[N@H+](Cc3cccc(OC4CCCC4)c3)C[C@H]21 ZINC000019402291 210248061 /nfs/dbraw/zinc/24/80/61/210248061.db2.gz WOYXFKNYVSZXOA-KWOQKUFVSA-N 1 0 378.516 4.133 40 0 GIABRO O=C(c1cccc(Br)c1)N1CCC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408607345 231077424 /nfs/dbraw/zinc/07/74/24/231077424.db2.gz LDTHLYVYXLFJNL-FQEVSTJZSA-N 1 0 399.332 4.112 40 0 GIABRO NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](Cc2ccccc2)C1 ZINC000019371923 210245789 /nfs/dbraw/zinc/24/57/89/210245789.db2.gz XTRMLNVUZKHIMN-RUZDIDTESA-N 1 0 385.511 4.059 40 0 GIABRO CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@@H+]2Cc1cccc(C)n1 ZINC000019236332 210233322 /nfs/dbraw/zinc/23/33/22/210233322.db2.gz TXCGGYUINRFLRW-VXNXHJTFSA-N 1 0 395.522 4.288 40 0 GIABRO Cc1ccc(C[NH+]2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)cc1C ZINC000019213945 210230760 /nfs/dbraw/zinc/23/07/60/210230760.db2.gz ACPWVUXUKWACRT-UHFFFAOYSA-N 1 0 389.425 4.140 40 0 GIABRO OCCN(CCO)c1cc(/C=C/c2cccc3ccccc23)[nH+]c2ccccc21 ZINC000017110345 210203672 /nfs/dbraw/zinc/20/36/72/210203672.db2.gz GKEOPYUPGSLKFP-OUKQBFOZSA-N 1 0 384.479 4.349 40 0 GIABRO Cc1nc(NC(=[NH2+])Nc2ccc(C(C)C)cc2)[nH]c(=O)c1Cc1ccccc1 ZINC000013634044 210073746 /nfs/dbraw/zinc/07/37/46/210073746.db2.gz KUHHVCHIRZGTOC-UHFFFAOYSA-N 1 0 375.476 4.251 40 0 GIABRO CC[NH+](CC)c1ccc(NCc2cc3cc(OC)c(OC)cc3[nH]c2=O)c(C)c1 ZINC000013086677 210049069 /nfs/dbraw/zinc/04/90/69/210049069.db2.gz BJZGUAPWGMWTBD-UHFFFAOYSA-N 1 0 395.503 4.312 40 0 GIABRO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@H+](CC2CCCCC2)C1)c1ccccn1 ZINC000012365838 209945814 /nfs/dbraw/zinc/94/58/14/209945814.db2.gz HSQJPNPEKMMZCD-ICSRJNTNSA-N 1 0 398.576 4.302 40 0 GIABRO CC[NH+](CC)CCOC(=O)C(OCC(C)C)(c1ccccc1)c1ccccc1 ZINC000001608963 209333674 /nfs/dbraw/zinc/33/36/74/209333674.db2.gz OQUMNEUMHAFKEK-UHFFFAOYSA-N 1 0 383.532 4.488 40 0 GIABRO CC[NH+](CC)CCOC(=O)c1cc(Br)cc(-c2ccccc2)c1O ZINC000001683566 209336415 /nfs/dbraw/zinc/33/64/15/209336415.db2.gz XBVIOONTPZXTLW-UHFFFAOYSA-N 1 0 392.293 4.320 40 0 GIABRO CN1CN(c2ccccc2)C2(CC[NH+](Cc3csc4ccccc34)CC2)C1=O ZINC000001640539 209335957 /nfs/dbraw/zinc/33/59/57/209335957.db2.gz BKMRLPDOTVKGIM-UHFFFAOYSA-N 1 0 391.540 4.172 40 0 GIABRO Cc1ncsc1C[N@@H+]1CC[C@@]2(CN(Cc3ccccc3)c3cccnc32)C1 ZINC000306145131 212056774 /nfs/dbraw/zinc/05/67/74/212056774.db2.gz ZZCQSMHUTMFKFJ-QFIPXVFZSA-N 1 0 376.529 4.010 40 0 GIABRO Fc1cccc(C[N@@H+]2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306141448 212055558 /nfs/dbraw/zinc/05/55/58/212055558.db2.gz VWMGKSGUNVTZAT-HXUWFJFHSA-N 1 0 387.462 4.310 40 0 GIABRO COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCC[N@@H+](C4CCC4)C3)nn2c1 ZINC000306136367 212050585 /nfs/dbraw/zinc/05/05/85/212050585.db2.gz PRJHNBLRWULAFM-MRXNPFEDSA-N 1 0 380.467 4.276 40 0 GIABRO O=C1CC[C@]2(c3ccccc3)CC[N@H+](CCc3ccccc3)[C@H]2CN1CC1CC1 ZINC000306133354 212048798 /nfs/dbraw/zinc/04/87/98/212048798.db2.gz MJGVWLOSQSUSOC-AZGAKELHSA-N 1 0 388.555 4.274 40 0 GIABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cc1 ZINC000306131129 212048684 /nfs/dbraw/zinc/04/86/84/212048684.db2.gz JXJSNMFKEVFXGN-OAQYLSRUSA-N 1 0 399.498 4.180 40 0 GIABRO CN(C)C(=O)c1sc2nc([C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)ccc2c1N ZINC000257344041 212027666 /nfs/dbraw/zinc/02/76/66/212027666.db2.gz ZVNBRCXFPPOOKL-QGZVFWFLSA-N 1 0 398.507 4.057 40 0 GIABRO CC(C)(C)Nc1nc(NCc2ccc(Br)cc2)cc(C2CC2)[nH+]1 ZINC000329064665 209160259 /nfs/dbraw/zinc/16/02/59/209160259.db2.gz XKZUUJMTFWIJBP-UHFFFAOYSA-N 1 0 375.314 4.361 40 0 GIABRO CCn1cc(C[NH+]2CCC(c3cccc(Nc4ncccc4C)n3)CC2)c(C)n1 ZINC000257248843 212010424 /nfs/dbraw/zinc/01/04/24/212010424.db2.gz JFLUZNJMBFHTNP-UHFFFAOYSA-N 1 0 390.535 4.433 40 0 GIABRO Cc1cc(Nc2cc(-c3cccnc3)nc(NCCC[NH+](C)C)n2)ccc1Cl ZINC000329017398 209157590 /nfs/dbraw/zinc/15/75/90/209157590.db2.gz NLQODZODCBHUGN-UHFFFAOYSA-N 1 0 396.926 4.030 40 0 GIABRO CCc1cc(N2CCc3cc(OC)c(OC)cc3C2)nc(NC2CCCCC2)[nH+]1 ZINC000329008962 209155440 /nfs/dbraw/zinc/15/54/40/209155440.db2.gz LTKRNSJQRXXJKJ-UHFFFAOYSA-N 1 0 396.535 4.364 40 0 GIABRO C[C@@H]1CCC[N@H+](CCCOc2ccc(NC(=O)C(C)(C)Br)cc2)C1 ZINC000225595025 211909366 /nfs/dbraw/zinc/90/93/66/211909366.db2.gz WKBGWQXGHZQPRA-OAHLLOKOSA-N 1 0 397.357 4.299 40 0 GIABRO CCc1ccccc1O[C@@H](C)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224681980 211869097 /nfs/dbraw/zinc/86/90/97/211869097.db2.gz SINDUGBJRVNKNK-IBGZPJMESA-N 1 0 380.532 4.319 40 0 GIABRO CCOc1ccccc1C(=O)NC[C@H]1CC[C@H]([C@@H](c2ccccn2)[NH+](C)C)CC1 ZINC000100750197 211390012 /nfs/dbraw/zinc/39/00/12/211390012.db2.gz DEPWMDAOCPZFAD-YYDVJCTNSA-N 1 0 395.547 4.319 40 0 GIABRO Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000096244651 211325011 /nfs/dbraw/zinc/32/50/11/211325011.db2.gz FFQYJHNMSVHZMR-DEOSSOPVSA-N 1 0 389.474 4.265 40 0 GIABRO Cn1cnc2c1cc(C1CC[NH+](Cc3cccnc3)CC1)nc2-c1ccccc1 ZINC000096155582 211313216 /nfs/dbraw/zinc/31/32/16/211313216.db2.gz ZQMPNKBHCUXWPY-UHFFFAOYSA-N 1 0 383.499 4.410 40 0 GIABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3cccnc3)CC2)c2ccccc21)NCC1CC1 ZINC000096052679 211297325 /nfs/dbraw/zinc/29/73/25/211297325.db2.gz BSNCFMKUWDPCFO-OAQYLSRUSA-N 1 0 389.543 4.019 40 0 GIABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccco3)CC2)c2ccccc21)NCC1CC1 ZINC000096052660 211297126 /nfs/dbraw/zinc/29/71/26/211297126.db2.gz PEVPCFFAVHETKY-IBGZPJMESA-N 1 0 378.516 4.217 40 0 GIABRO COc1cccc(C[NH+]2CCC3(CCN(C(=O)c4ccc(C)c(C)c4)C3)CC2)c1 ZINC000096046650 211296506 /nfs/dbraw/zinc/29/65/06/211296506.db2.gz QOIJHPBZHMDYLM-UHFFFAOYSA-N 1 0 392.543 4.440 40 0 GIABRO COc1ccccc1OCCc1cc([C@@H]2CC[N@H+](Cc3ccc(F)cc3)C2)[nH]n1 ZINC000072371209 211103707 /nfs/dbraw/zinc/10/37/07/211103707.db2.gz COINSKNOAXSZFE-GOSISDBHSA-N 1 0 395.478 4.168 40 0 GIABRO CCC[N@@H+]1CCCC[C@H]1Cc1c2ccccc2sc1C(=O)N1CCOCC1 ZINC000072370386 211103374 /nfs/dbraw/zinc/10/33/74/211103374.db2.gz ZIGRCXZZBWYNDO-KRWDZBQOSA-N 1 0 386.561 4.181 40 0 GIABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1 ZINC000072398574 211112781 /nfs/dbraw/zinc/11/27/81/211112781.db2.gz PLQGSVHFEFTNAQ-KNQAVFIVSA-N 1 0 395.547 4.206 40 0 GIABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 ZINC000072398573 211112714 /nfs/dbraw/zinc/11/27/14/211112714.db2.gz XGORMNGAWILSHX-UGKGYDQZSA-N 1 0 395.547 4.206 40 0 GIABRO Cc1cc(C(F)(F)F)n2nc([C@@H]3CC[N@H+](Cc4ccc(F)cc4)C3)cc2n1 ZINC000072397151 211112516 /nfs/dbraw/zinc/11/25/16/211112516.db2.gz LMDOVUYHDLEJNF-CQSZACIVSA-N 1 0 378.373 4.185 40 0 GIABRO Cc1cnc(-c2nnc([C@@H]3CCC[N@@H+](Cc4ccc(C(C)C)cc4)C3)o2)cn1 ZINC000072390061 211108615 /nfs/dbraw/zinc/10/86/15/211108615.db2.gz WFJAFDMPLHMUOC-LJQANCHMSA-N 1 0 377.492 4.338 40 0 GIABRO Clc1ccc(C[N@@H+]2CC[C@H](c3nc(-c4ccncc4)no3)C2)cc1Cl ZINC000072389925 211107478 /nfs/dbraw/zinc/10/74/78/211107478.db2.gz QVNYHRCMUMXPFS-AWEZNQCLSA-N 1 0 375.259 4.428 40 0 GIABRO COc1cc(C)ccc1C[N@@H+]1CCC[C@H]1c1cccc(Nc2cnccn2)n1 ZINC000072375728 211106164 /nfs/dbraw/zinc/10/61/64/211106164.db2.gz TUWGNKZONCILCD-IBGZPJMESA-N 1 0 375.476 4.269 40 0 GIABRO Cn1cc(C[N@@H+]2CCC[C@H]2c2cccc(Nc3ncccn3)n2)c2ccccc21 ZINC000072375756 211105312 /nfs/dbraw/zinc/10/53/12/211105312.db2.gz MAEVPWKLPWFWMA-NRFANRHFSA-N 1 0 384.487 4.444 40 0 GIABRO CCn1ncc(C[NH+]2CCC(c3ccc(Nc4ncccc4C)cn3)CC2)c1C ZINC000072374251 211104887 /nfs/dbraw/zinc/10/48/87/211104887.db2.gz JZYUGRKITXUMRN-UHFFFAOYSA-N 1 0 390.535 4.433 40 0 GIABRO O=C(c1sc2ccccc2c1C[C@@H]1CCCC[N@@H+]1CC1CC1)N1CCOCC1 ZINC000072370439 211103872 /nfs/dbraw/zinc/10/38/72/211103872.db2.gz LUNINGIFEMUDQS-SFHVURJKSA-N 1 0 398.572 4.181 40 0 GIABRO O=C(C[N@H+]1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1)N1CCCCC1 ZINC000072348709 211095278 /nfs/dbraw/zinc/09/52/78/211095278.db2.gz XGBXNPHAZUPCGS-FQEVSTJZSA-N 1 0 395.522 4.003 40 0 GIABRO COc1ccc(-c2cnc(N)nc2[C@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC000072345927 211095292 /nfs/dbraw/zinc/09/52/92/211095292.db2.gz KBQJRSDNAFLTAJ-FQEVSTJZSA-N 1 0 388.515 4.157 40 0 GIABRO CNc1ncccc1C[N@@H+]1CCC[C@@H]1c1cccc(Cc2cccc(OC)c2)n1 ZINC000072358224 211099456 /nfs/dbraw/zinc/09/94/56/211099456.db2.gz BGAWZMNNCKVFKY-HSZRJFAPSA-N 1 0 388.515 4.455 40 0 GIABRO Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCC[N@@H+]2CCc2ccc(F)cc2)n1 ZINC000072354831 211099150 /nfs/dbraw/zinc/09/91/50/211099150.db2.gz ICJRTZIAVMFQPG-FQEVSTJZSA-N 1 0 380.442 4.384 40 0 GIABRO CC(C)c1nccn1-c1nccnc1[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000072350508 211097455 /nfs/dbraw/zinc/09/74/55/211097455.db2.gz KOBPNLQWCRETHU-GOSISDBHSA-N 1 0 379.483 4.304 40 0 GIABRO CC(=O)N1CCC([NH+]2CCC(c3cccc(Cc4ccccc4C)n3)CC2)CC1 ZINC000072350201 211097228 /nfs/dbraw/zinc/09/72/28/211097228.db2.gz FSVDXMJJWUZNTK-UHFFFAOYSA-N 1 0 391.559 4.171 40 0 GIABRO CCc1nccn1-c1nccnc1[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072350651 211097019 /nfs/dbraw/zinc/09/70/19/211097019.db2.gz ZXIMSDYLJZQBKC-HXUWFJFHSA-N 1 0 375.520 4.037 40 0 GIABRO O=C(C[N@H+]1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1)N1CCCCC1 ZINC000072348695 211095851 /nfs/dbraw/zinc/09/58/51/211095851.db2.gz IAKWGUVSKLOYSJ-GOSISDBHSA-N 1 0 381.495 4.080 40 0 GIABRO Cc1cccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)C3CCCC3)c3ccccn3)C2)n1 ZINC000072330396 211091198 /nfs/dbraw/zinc/09/11/98/211091198.db2.gz OVKDWHDBSHTJCI-REWPJTCUSA-N 1 0 392.547 4.045 40 0 GIABRO O=C(COc1ccc(Cl)cc1Cl)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032461884 210577304 /nfs/dbraw/zinc/57/73/04/210577304.db2.gz NJBYHLJLBGYNGU-UHFFFAOYSA-N 1 0 393.314 4.284 40 0 GIABRO CC[NH+](CC)Cc1ccc(NC(=O)CSc2ccc(OC)c(OC)c2)cc1 ZINC000020042676 210312944 /nfs/dbraw/zinc/31/29/44/210312944.db2.gz ZYOMVDBVADNJDZ-UHFFFAOYSA-N 1 0 388.533 4.276 40 0 GIABRO CCc1nc2ccccc2n1[C@H](C)C(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000019718472 210288760 /nfs/dbraw/zinc/28/87/60/210288760.db2.gz DNVSMCNXFOHHKH-QGZVFWFLSA-N 1 0 376.504 4.394 40 0 GIABRO Cc1c(C[N@@H+]2CCC[C@@H]2c2cc(Cc3ccc(F)cc3)cc(C)n2)cnn1C ZINC000019690889 210280782 /nfs/dbraw/zinc/28/07/82/210280782.db2.gz UHECHQCAWZMOCI-HSZRJFAPSA-N 1 0 378.495 4.499 40 0 GIABRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cnn(-c3ccc(F)cc3)c2)cc1OC ZINC000019656794 210277719 /nfs/dbraw/zinc/27/77/19/210277719.db2.gz YLDMAGMVSPBERF-HXUWFJFHSA-N 1 0 381.451 4.366 40 0 GIABRO CNc1cc([C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)nc(-c2cccnc2)n1 ZINC000019592205 210274437 /nfs/dbraw/zinc/27/44/37/210274437.db2.gz INMPBUZTAKQRAO-GOSISDBHSA-N 1 0 377.467 4.099 40 0 GIABRO COc1ccc(C[N@@H+](Cc2[nH]c3ccc(F)cc3c2C)C[C@@H](C)O)cc1OC ZINC000012185550 221164221 /nfs/dbraw/zinc/16/42/21/221164221.db2.gz XKEAYJFXXONYFP-CQSZACIVSA-N 1 0 386.467 4.016 40 0 GIABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000044872155 132420214 /nfs/dbraw/zinc/42/02/14/132420214.db2.gz MERIVTVNWHMDBI-UHFFFAOYSA-N 1 0 377.532 4.203 40 0 GIABRO Cc1nc([C@@H]2CCC[N@@H+]2C2CCCC2)nc2c1CCCN2Cc1ccccn1 ZINC000072373792 136169053 /nfs/dbraw/zinc/16/90/53/136169053.db2.gz CRSFJHTWOOKBLL-NRFANRHFSA-N 1 0 377.536 4.212 40 0 GIABRO CC(C)C(=O)N1CCCc2cc([C@H](O)C[N@@H+]3CC[C@@H]4CCCC[C@@H]4C3)ccc21 ZINC000019085736 136202398 /nfs/dbraw/zinc/20/23/98/136202398.db2.gz ZVLDYBPIXGANQJ-QTGUNEKASA-N 1 0 384.564 4.167 40 0 GIABRO COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408613602 533835654 /nfs/dbraw/zinc/83/56/54/533835654.db2.gz YRVWVZBFXPERER-LJQANCHMSA-N 1 0 384.907 4.012 40 0 GIABRO CCOc1cc2c(cc1OCC)[C@@H](c1ccc(Br)cc1)[NH2+]CC2 ZINC000020507134 560093661 /nfs/dbraw/zinc/09/36/61/560093661.db2.gz KOYWTXBINRJTAB-LJQANCHMSA-N 1 0 376.294 4.482 40 0 biogenic,in-vitro GIABRO OCC[NH+]1CCC(c2cccc(Nc3ncc(Cc4ccccc4)s3)n2)CC1 ZINC000585263343 570231833 /nfs/dbraw/zinc/23/18/33/570231833.db2.gz WDTCNDOWPFYHAZ-UHFFFAOYSA-N 1 0 394.544 4.044 40 0 GIABRO CCOc1ccc(C[NH2+][C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)cc1 ZINC000585289614 570257250 /nfs/dbraw/zinc/25/72/50/570257250.db2.gz SMLRRVYGHQKZSU-PWRODBHTSA-N 1 0 375.896 4.189 40 0 GIABRO O[C@H]1[C@H](Oc2ccccc2Cl)CCC[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000585289748 570257899 /nfs/dbraw/zinc/25/78/99/570257899.db2.gz NBXDALJHUIEGIX-CEWLAPEOSA-N 1 0 375.896 4.060 40 0 GIABRO O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH2+]CCc1ccccc1Cl ZINC000585290364 570258206 /nfs/dbraw/zinc/25/82/06/570258206.db2.gz VFQIDJPXNRIAOK-XUVXKRRUSA-N 1 0 380.315 4.487 40 0 GIABRO CC[NH+](CC)CCNCc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 ZINC000022075784 570321516 /nfs/dbraw/zinc/32/15/16/570321516.db2.gz XNZGCTILLMQLND-UHFFFAOYSA-N 1 0 394.918 4.498 40 0 GIABRO CC(C)(C)[NH2+]C[C@@H](O)c1cc(OC(=O)C(C)(C)C)cc(OC(=O)C(C)(C)C)c1 ZINC000004213026 570363028 /nfs/dbraw/zinc/36/30/28/570363028.db2.gz VJJOKWOJJZKXNV-QGZVFWFLSA-N 1 0 393.524 4.011 40 0 in-man GIABRO CCOc1cc(C[N@H+]2C[C@@H](c3ccc(F)cc3)[C@H](c3cc[nH]n3)C2)ccc1OC ZINC000057773938 570373631 /nfs/dbraw/zinc/37/36/31/570373631.db2.gz OYSAFBONVXWJEL-VQTJNVASSA-N 1 0 395.478 4.339 40 0 GIABRO COC(=O)c1cn(C(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)c2ccccc12 ZINC000222624888 570417549 /nfs/dbraw/zinc/41/75/49/570417549.db2.gz ANGIMSDZPDJPSO-UHFFFAOYSA-N 1 0 390.483 4.289 40 0 GIABRO C[NH+]1CCC(Oc2ccc(NC(=O)CSCc3ccccc3F)cc2)CC1 ZINC000222714332 570422233 /nfs/dbraw/zinc/42/22/33/570422233.db2.gz KCYBIKQZDKPDAL-UHFFFAOYSA-N 1 0 388.508 4.171 40 0 GIABRO C[NH+]1CCC(Oc2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)CC1 ZINC000222839316 570428509 /nfs/dbraw/zinc/42/85/09/570428509.db2.gz GCYMWOIGVXQWIW-UHFFFAOYSA-N 1 0 390.483 4.330 40 0 GIABRO CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccc(Br)cc1 ZINC000026895102 570429563 /nfs/dbraw/zinc/42/95/63/570429563.db2.gz XVOWKWVSFLHRFU-MOPGFXCFSA-N 1 0 388.305 4.228 40 0 GIABRO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000039763234 570445956 /nfs/dbraw/zinc/44/59/56/570445956.db2.gz NNAJBLYUCZRODO-UHFFFAOYSA-N 1 0 386.923 4.056 40 0 GIABRO O=C(NCCSc1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039763000 570445968 /nfs/dbraw/zinc/44/59/68/570445968.db2.gz QJMXDXVCACSIPQ-UHFFFAOYSA-N 1 0 388.964 4.461 40 0 GIABRO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000223250232 570452702 /nfs/dbraw/zinc/45/27/02/570452702.db2.gz OXZFZIMLXHSQHJ-FQEVSTJZSA-N 1 0 380.532 4.230 40 0 GIABRO COc1ccccc1C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1cccc(C)c1)C2 ZINC000035289819 570455367 /nfs/dbraw/zinc/45/53/67/570455367.db2.gz LFDKMXCGONCEHI-FRIKZZABSA-N 1 0 378.516 4.319 40 0 GIABRO C[NH+](C)CCNc1nc(NCc2ccccc2Cl)cc(-c2ccccc2)n1 ZINC000244058005 570458288 /nfs/dbraw/zinc/45/82/88/570458288.db2.gz TXBUBOLLGIQDET-UHFFFAOYSA-N 1 0 381.911 4.383 40 0 GIABRO Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653121609 570464847 /nfs/dbraw/zinc/46/48/47/570464847.db2.gz ZXCWNDSPGXIVKR-ZWKOTPCHSA-N 1 0 392.478 4.157 40 0 GIABRO COc1ccc(CC[NH2+]CC(=O)N2c3ccccc3CCc3ccccc32)cc1 ZINC000035311532 570466773 /nfs/dbraw/zinc/46/67/73/570466773.db2.gz CROVXVJRORKIPL-UHFFFAOYSA-N 1 0 386.495 4.291 40 0 GIABRO CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000223624832 570474946 /nfs/dbraw/zinc/47/49/46/570474946.db2.gz MIFSREUHAPFKMP-GMAHTHKFSA-N 1 0 386.580 4.494 40 0 GIABRO Cc1c(C)n(C[C@@H](O)C[N@@H+](C)Cc2ccc(OCCF)cc2)c2ccccc12 ZINC000257251636 570487849 /nfs/dbraw/zinc/48/78/49/570487849.db2.gz JRNVTLLDHPWTRA-FQEVSTJZSA-N 1 0 384.495 4.099 40 0 GIABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCOc3ccc(C)c(C)c3)CC2)cc1 ZINC000224531616 570516583 /nfs/dbraw/zinc/51/65/83/570516583.db2.gz JVWPJBUGDJOUEJ-UHFFFAOYSA-N 1 0 380.532 4.019 40 0 GIABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCOc3ccccc3Cl)CC2)c1 ZINC000224528421 570516690 /nfs/dbraw/zinc/51/66/90/570516690.db2.gz SIPCMDFJWNIIDT-UHFFFAOYSA-N 1 0 386.923 4.056 40 0 GIABRO Cc1cccc(OCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000224534428 570516820 /nfs/dbraw/zinc/51/68/20/570516820.db2.gz QCDWWUOULHEBCZ-UHFFFAOYSA-N 1 0 386.923 4.056 40 0 GIABRO CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224624057 570521127 /nfs/dbraw/zinc/52/11/27/570521127.db2.gz VMDUHJKJYVYXEY-HXUWFJFHSA-N 1 0 386.923 4.410 40 0 GIABRO Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1C ZINC000033223183 570521175 /nfs/dbraw/zinc/52/11/75/570521175.db2.gz PFNKQURLMYTEQL-FQEVSTJZSA-N 1 0 380.532 4.373 40 0 GIABRO CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224683358 570524298 /nfs/dbraw/zinc/52/42/98/570524298.db2.gz BVVGLAGEHVLJJU-QHCPKHFHSA-N 1 0 396.531 4.155 40 0 GIABRO Cc1ccc(O[C@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c(C)c1 ZINC000224685479 570524341 /nfs/dbraw/zinc/52/43/41/570524341.db2.gz VIAOIXVDPVKQGA-HXUWFJFHSA-N 1 0 380.532 4.373 40 0 GIABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)C1(c2ccccc2)CCOCC1 ZINC000224700886 570525668 /nfs/dbraw/zinc/52/56/68/570525668.db2.gz CAWAMKHONWVZPM-UHFFFAOYSA-N 1 0 392.543 4.037 40 0 GIABRO CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224787607 570531001 /nfs/dbraw/zinc/53/10/01/570531001.db2.gz QOPKBBJTOUOONM-FQEVSTJZSA-N 1 0 386.923 4.410 40 0 GIABRO CCCSc1nnc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)s1 ZINC000225116211 570550161 /nfs/dbraw/zinc/55/01/61/570550161.db2.gz XTMXVFHRIGIYEW-UHFFFAOYSA-N 1 0 390.578 4.199 40 0 GIABRO COc1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(F)cc2)cc1 ZINC000035288580 570551220 /nfs/dbraw/zinc/55/12/20/570551220.db2.gz MPOFRYBAZWQVPR-IHWFROFDSA-N 1 0 383.467 4.151 40 0 GIABRO CC(=O)c1cccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(F)cc2)c1 ZINC000035288581 570551224 /nfs/dbraw/zinc/55/12/24/570551224.db2.gz KYWGZPGANSWBTI-FRIKZZABSA-N 1 0 395.478 4.345 40 0 GIABRO O=C(Nc1nnc(-c2ccccc2)s1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000225362417 570567378 /nfs/dbraw/zinc/56/73/78/570567378.db2.gz ZJTINGILVRNLDT-UHFFFAOYSA-N 1 0 396.491 4.195 40 0 GIABRO COc1ccc2nc(C[N@H+](CCCn3ccnc3)Cc3ccc(C)o3)ccc2c1 ZINC000036740265 570568688 /nfs/dbraw/zinc/56/86/88/570568688.db2.gz GAPZRMOFLMXWGV-UHFFFAOYSA-N 1 0 390.487 4.434 40 0 GIABRO C[NH+](C)CCNC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000225404205 570570080 /nfs/dbraw/zinc/57/00/80/570570080.db2.gz SKGJQMMXVSJUHN-UHFFFAOYSA-N 1 0 383.561 4.063 40 0 GIABRO C[C@H]1CCCC[N@@H+]1CCCOc1ccc(NC(=O)C(C)(C)Br)cc1 ZINC000225595125 570592278 /nfs/dbraw/zinc/59/22/78/570592278.db2.gz VACHYZMLNOOPCQ-HNNXBMFYSA-N 1 0 397.357 4.442 40 0 GIABRO C[C@H]1CCC[N@H+](CCCOc2ccc(NC(=O)C(C)(C)Br)cc2)C1 ZINC000225595055 570592350 /nfs/dbraw/zinc/59/23/50/570592350.db2.gz WKBGWQXGHZQPRA-HNNXBMFYSA-N 1 0 397.357 4.299 40 0 GIABRO CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225623357 570595551 /nfs/dbraw/zinc/59/55/51/570595551.db2.gz JPURPJWKPNOXHS-QFIPXVFZSA-N 1 0 376.541 4.475 40 0 GIABRO CO[C@@]1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@@H]3C)cc2)CCC[C@@H](C)C1 ZINC000225635556 570596742 /nfs/dbraw/zinc/59/67/42/570596742.db2.gz IWICYXUBRAQMIB-MSYCTHLASA-N 1 0 388.552 4.474 40 0 GIABRO CCCOC1(C(=O)Nc2ccc(OCCC[NH+](CC)CC)cc2)CCCC1 ZINC000225654998 570599021 /nfs/dbraw/zinc/59/90/21/570599021.db2.gz ONYCGBGGMTZGRA-UHFFFAOYSA-N 1 0 376.541 4.475 40 0 GIABRO CCCO[C@@]1(C(=O)Nc2ccc(OCC[NH+]3CCCC3)cc2)CCC[C@@H](C)C1 ZINC000225662646 570599696 /nfs/dbraw/zinc/59/96/96/570599696.db2.gz JVPXZYWMGZMCGG-XXBNENTESA-N 1 0 388.552 4.475 40 0 GIABRO CCCOC(C)(C)C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225727228 570609857 /nfs/dbraw/zinc/60/98/57/570609857.db2.gz ADUSDHAAIINLTF-QZTJIDSGSA-N 1 0 376.541 4.187 40 0 GIABRO CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000225734362 570610658 /nfs/dbraw/zinc/61/06/58/570610658.db2.gz QXLYTQIIYLAZIN-JOCHJYFZSA-N 1 0 376.541 4.331 40 0 GIABRO O=S(=O)(N[C@H]1CCCC[C@H]1[N@H+]1CC=C(c2ccccc2)CC1)c1ccccc1 ZINC000006809569 570611780 /nfs/dbraw/zinc/61/17/80/570611780.db2.gz YXNCAHYSIWBSOO-XZOQPEGZSA-N 1 0 396.556 4.065 40 0 GIABRO CCc1ccc(NC(=S)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000225772314 570615916 /nfs/dbraw/zinc/61/59/16/570615916.db2.gz PXRIGNOHBVFFQZ-UHFFFAOYSA-N 1 0 383.561 4.209 40 0 GIABRO C[NH+]1CCC(Oc2ccc(CNC(=S)Nc3cccc(Cl)c3)cc2)CC1 ZINC000225771991 570615991 /nfs/dbraw/zinc/61/59/91/570615991.db2.gz YAVLXQPOPGWGCX-UHFFFAOYSA-N 1 0 389.952 4.300 40 0 GIABRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H](O)c2ccc3ccccc3c2)CC1 ZINC000012188347 570621842 /nfs/dbraw/zinc/62/18/42/570621842.db2.gz DCBVODRYLVDAPD-XMMPIXPASA-N 1 0 388.511 4.001 40 0 GIABRO C[C@@H]1Cc2cc(C[N@H+](CCCn3ccnc3)Cc3ccccc3F)ccc2O1 ZINC000043277864 570627135 /nfs/dbraw/zinc/62/71/35/570627135.db2.gz IFWBOHUNBMDNKM-GOSISDBHSA-N 1 0 379.479 4.438 40 0 GIABRO Cc1ccc(OC[C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000044852853 570636295 /nfs/dbraw/zinc/63/62/95/570636295.db2.gz YTMTYEVXBQAQIA-FQEVSTJZSA-N 1 0 380.532 4.099 40 0 GIABRO CC[C@H](Oc1ccccc1F)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875448 570638108 /nfs/dbraw/zinc/63/81/08/570638108.db2.gz MFKZOBRHAWUSTA-NRFANRHFSA-N 1 0 384.495 4.285 40 0 GIABRO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(NC(=S)Nc2ccccc2)C3)cc1 ZINC000004856826 570638456 /nfs/dbraw/zinc/63/84/56/570638456.db2.gz KRELVSDFEMXNCM-IHWFROFDSA-N 1 0 381.545 4.177 40 0 GIABRO COc1ccc(CCCNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000044907127 570641700 /nfs/dbraw/zinc/64/17/00/570641700.db2.gz BYNYCXHSQDLJRT-IBGZPJMESA-N 1 0 380.532 4.290 40 0 GIABRO CCOC(=O)c1ccc(C)c(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000044911867 570642378 /nfs/dbraw/zinc/64/23/78/570642378.db2.gz SOQXHZXPOLFZSZ-UHFFFAOYSA-N 1 0 394.515 4.331 40 0 GIABRO CCOC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)c1C ZINC000044911664 570642492 /nfs/dbraw/zinc/64/24/92/570642492.db2.gz KROFQMLRFCYHJN-UHFFFAOYSA-N 1 0 394.515 4.331 40 0 GIABRO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@H+](CC2CCCCC2)C1)c1ccccn1 ZINC000012365836 570646803 /nfs/dbraw/zinc/64/68/03/570646803.db2.gz HSQJPNPEKMMZCD-QUCCMNQESA-N 1 0 398.576 4.302 40 0 GIABRO CCO[C@](C)(C(=O)Nc1ccc(OCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000260812512 570707250 /nfs/dbraw/zinc/70/72/50/570707250.db2.gz DQENGGJDUZDQRN-BSRJHKFKSA-N 1 0 388.552 4.187 40 0 GIABRO CO[C@]1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@@H]3C)cc2)CCC[C@H](C)C1 ZINC000260814472 570707746 /nfs/dbraw/zinc/70/77/46/570707746.db2.gz IWICYXUBRAQMIB-SFYKDHMMSA-N 1 0 388.552 4.474 40 0 GIABRO C[C@]12C[C@H](CC(C)(C)C1)[N@H+](Cc1c([O-])c(C[NH+]3CCCCCC3)coc1=O)C2 ZINC000100796937 570710861 /nfs/dbraw/zinc/71/08/61/570710861.db2.gz PCYFMWKQBFRPDZ-MBSDFSHPSA-N 1 0 388.552 4.122 40 0 GIABRO Cc1ccc(C)c(OCCNC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000260890756 570713193 /nfs/dbraw/zinc/71/31/93/570713193.db2.gz RBWSXUHTVOUVQZ-IBGZPJMESA-N 1 0 380.532 4.344 40 0 GIABRO CC1CC[NH+](CCCNC(=O)CSCc2c(Cl)cccc2Cl)CC1 ZINC000013612986 570762841 /nfs/dbraw/zinc/76/28/41/570762841.db2.gz SDYRTVDCHPBPRF-UHFFFAOYSA-N 1 0 389.392 4.465 40 0 GIABRO COc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000009062667 570773990 /nfs/dbraw/zinc/77/39/90/570773990.db2.gz PZFNSNXGVVEUCQ-MRXNPFEDSA-N 1 0 386.923 4.438 40 0 GIABRO Cc1cccc(CO[C@H]2CSC3(C[NH+](Cc4cccc5[nH]ccc54)C3)C2)n1 ZINC000585105315 570932215 /nfs/dbraw/zinc/93/22/15/570932215.db2.gz SVQDYYZPMLKHBD-LJQANCHMSA-N 1 0 379.529 4.148 40 0 GIABRO FC(F)(F)c1ccc(-c2nc(Cl)cc(NCCC3CC[NH2+]CC3)n2)cc1 ZINC000328963846 571047553 /nfs/dbraw/zinc/04/75/53/571047553.db2.gz BRXSZYTWDMBXNX-UHFFFAOYSA-N 1 0 384.833 4.039 40 0 GIABRO C[C@H]1CCC[N@H+](C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)C1 ZINC000012291311 818153074 /nfs/dbraw/zinc/15/30/74/818153074.db2.gz CIHOOYRCGOLJIW-GAJHUEQPSA-N 1 0 396.506 4.184 40 0 GIABRO c1csc(-c2nc(N3CC[N@H+]4CCCC[C@H]4C3)ncc2-c2ccsc2)n1 ZINC000013268364 818208438 /nfs/dbraw/zinc/20/84/38/818208438.db2.gz MBWVEYIKAUEFTR-HNNXBMFYSA-N 1 0 383.546 4.003 40 0 GIABRO C[N@@H+]1CCCCC[C@@H]2N(C(=O)c3cccnc3)[C@H](Cc3ccccc3)C[C@@]21C ZINC000019711725 818601759 /nfs/dbraw/zinc/60/17/59/818601759.db2.gz YHJKCIFXLAUAAZ-GPXNEJASSA-N 1 0 377.532 4.172 40 0 GIABRO CCN(C(C)=O)[C@@H]1CCO[C@H](c2ccc(C[N@H+](C)CCc3ccccc3)cc2)C1 ZINC000019711935 818601907 /nfs/dbraw/zinc/60/19/07/818601907.db2.gz ZPIQNQMSWLFSFS-RPBOFIJWSA-N 1 0 394.559 4.450 40 0 GIABRO CC(=O)N1CCCCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1c(C)nn(-c2ccccc2C)c1C ZINC000019712059 818601940 /nfs/dbraw/zinc/60/19/40/818601940.db2.gz IYOACRFNALGBSZ-RPWUZVMVSA-N 1 0 394.563 4.163 40 0 GIABRO O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1ccccc1)C[N@@H+]2Cc1ccnc2ccccc12 ZINC000019712592 818602527 /nfs/dbraw/zinc/60/25/27/818602527.db2.gz MUFRZENYUMCVAX-PWWKTKHKSA-N 1 0 385.511 4.262 40 0 GIABRO COc1cccc(C[NH+]2CCC(c3nnc(-c4cccs4)o3)CC2)c1OC ZINC000019567698 210266294 /nfs/dbraw/zinc/26/62/94/210266294.db2.gz PDCCIFKCBLRHNC-UHFFFAOYSA-N 1 0 385.489 4.195 40 0 GIABRO COc1cccc(C[N@@H+]2CCCC[C@H]3CN(C(=O)CCc4ccccc4)C[C@H]32)c1 ZINC000019565252 210265879 /nfs/dbraw/zinc/26/58/79/210265879.db2.gz FWUQRWMFRDWRPV-LADGPHEKSA-N 1 0 392.543 4.141 40 0 GIABRO COc1ccc(C[N@@H+](Cc2ccc(N3CCCC3=O)cc2)C[C@H]2CCCO2)cc1 ZINC000019554755 210262031 /nfs/dbraw/zinc/26/20/31/210262031.db2.gz UUFCLNRMRYTSHF-HSZRJFAPSA-N 1 0 394.515 4.003 40 0 GIABRO O=C(N[C@@H](c1ccccn1)C1CC[NH+](CC2CCCCC2)CC1)c1ccccn1 ZINC000019400785 210249240 /nfs/dbraw/zinc/24/92/40/210249240.db2.gz WMHZHIKZEBIKRA-HSZRJFAPSA-N 1 0 392.547 4.240 40 0 GIABRO O=C(N[C@@H](c1ccccn1)C1CC[NH+](Cc2ccc(F)cc2)CC1)C1CCC1 ZINC000019400823 210247649 /nfs/dbraw/zinc/24/76/49/210247649.db2.gz DDROFRCJUZCVPF-JOCHJYFZSA-N 1 0 381.495 4.090 40 0 GIABRO CC[NH+](CC)CCN[C@H](c1ccc(OC)c(OC)c1)C(Cl)(Cl)Cl ZINC000019366442 210243924 /nfs/dbraw/zinc/24/39/24/210243924.db2.gz IWOGQWYWHLDFGU-OAHLLOKOSA-N 1 0 383.747 4.047 40 0 GIABRO O=C(C1CCCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3cccnc3)CC[C@@H]21 ZINC000019339248 210242608 /nfs/dbraw/zinc/24/26/08/210242608.db2.gz ZXPXHQSZSKHUND-FKBYEOEOSA-N 1 0 395.572 4.150 40 0 GIABRO O=C(NCc1ccc(F)cc1)c1cc(C2CC[NH+](Cc3ccsc3)CC2)no1 ZINC000019334627 210242281 /nfs/dbraw/zinc/24/22/81/210242281.db2.gz JBGQJARCLVRKHP-UHFFFAOYSA-N 1 0 399.491 4.185 40 0 GIABRO O=C(C1CC1)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@@H+](Cc3cccs3)CC[C@H]21 ZINC000019343525 210241574 /nfs/dbraw/zinc/24/15/74/210241574.db2.gz MJOBJNNPTPJDOZ-NJDAHSKKSA-N 1 0 384.520 4.114 40 0 GIABRO [NH3+][C@@H]1CCc2nc(-c3ccncc3)nc(Nc3ccc(C(F)(F)F)cc3)c2C1 ZINC000019332580 210241604 /nfs/dbraw/zinc/24/16/04/210241604.db2.gz CUEYYAQRSAXCEX-CQSZACIVSA-N 1 0 385.393 4.117 40 0 GIABRO [NH3+][C@H]1CCc2nc(-c3ccncc3)nc(Nc3ccc(C(F)(F)F)cc3)c2C1 ZINC000019332583 210241222 /nfs/dbraw/zinc/24/12/22/210241222.db2.gz CUEYYAQRSAXCEX-AWEZNQCLSA-N 1 0 385.393 4.117 40 0 GIABRO Cc1ccsc1C[N@H+](CCCN1CCOCC1)Cc1ccc2ncccc2c1 ZINC000019238577 210234539 /nfs/dbraw/zinc/23/45/39/210234539.db2.gz IGAHESXCYYWMQE-UHFFFAOYSA-N 1 0 395.572 4.329 40 0 GIABRO Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CC2)c1 ZINC000019235062 210232921 /nfs/dbraw/zinc/23/29/21/210232921.db2.gz OBPCUZHNKXYEJF-FKBYEOEOSA-N 1 0 380.557 4.283 40 0 GIABRO Cc1cc(C(F)(F)F)n2nc([C@@H]3CC[N@H+](CCCc4ccccc4)C3)cc2n1 ZINC000019117066 210225696 /nfs/dbraw/zinc/22/56/96/210225696.db2.gz CUNOPEHVWYTIBK-QGZVFWFLSA-N 1 0 388.437 4.479 40 0 GIABRO C[N@@H+]1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)C(C)(C)c1ccc(F)cc1 ZINC000019085052 210224912 /nfs/dbraw/zinc/22/49/12/210224912.db2.gz KTRFBVWQGOUHDD-YPAWHYETSA-N 1 0 398.497 4.331 40 0 GIABRO CC[NH+](CC)CCOC(=O)[C@@](O)(c1c(C)cc(C)cc1C)C1CCCCC1 ZINC000001710840 209337627 /nfs/dbraw/zinc/33/76/27/209337627.db2.gz KHRQGYWZVQGCPO-QHCPKHFHSA-N 1 0 375.553 4.265 40 0 GIABRO O=C1Cc2cc3c(cc2N1)onc3CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000000537848 209249839 /nfs/dbraw/zinc/24/98/39/209249839.db2.gz MTCMTKNMZCPKLX-UHFFFAOYSA-N 1 0 375.472 4.167 40 0 in-man GIABRO c1ccc(Nc2ccc3nc(C4CC[NH+](Cc5ccccn5)CC4)nn3c2)cc1 ZINC000063527533 212070553 /nfs/dbraw/zinc/07/05/53/212070553.db2.gz DILWSIBHROZEGW-UHFFFAOYSA-N 1 0 384.487 4.248 40 0 GIABRO Cc1ccc(C[N@@H+]2C[C@H]3[C@H](C2)N(Cc2ccc(F)cc2)C(=O)c2cccn23)s1 ZINC000306131081 212049802 /nfs/dbraw/zinc/04/98/02/212049802.db2.gz JVYXNAJAEQDNCF-SFTDATJTSA-N 1 0 395.503 4.079 40 0 GIABRO O=C1CC[C@]2(c3ccccc3)CC[N@H+](CCc3ccccc3)[C@@H]2CN1CC1CC1 ZINC000306133353 212048784 /nfs/dbraw/zinc/04/87/84/212048784.db2.gz MJGVWLOSQSUSOC-AOYPEHQESA-N 1 0 388.555 4.274 40 0 GIABRO O=C(c1ccsc1)N1C[C@@]2(CC[N@H+](Cc3cccs3)C2)c2ncccc21 ZINC000306128421 212047487 /nfs/dbraw/zinc/04/74/87/212047487.db2.gz GZVQCSLJLJLTOV-FQEVSTJZSA-N 1 0 381.526 4.009 40 0 GIABRO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@H+](Cc5ccco5)C4)nn3c2)c1 ZINC000306126697 212044284 /nfs/dbraw/zinc/04/42/84/212044284.db2.gz FCLXPJWTBGDZTN-LJQANCHMSA-N 1 0 388.471 4.378 40 0 GIABRO O=C1N(CC2CCC2)CC[C@@]12C[N@H+](CC1CCCCC1)C[C@H]2c1nccs1 ZINC000306126724 212045104 /nfs/dbraw/zinc/04/51/04/212045104.db2.gz FDGVIMMZGCUODC-UGKGYDQZSA-N 1 0 387.593 4.141 40 0 GIABRO Cc1ccc(C[N@@H+]2C[C@H]3[C@H](C2)N(Cc2cccs2)C(=O)c2cccn23)s1 ZINC000306124854 212044669 /nfs/dbraw/zinc/04/46/69/212044669.db2.gz CAVLLZBYLZYSOD-OALUTQOASA-N 1 0 383.542 4.001 40 0 GIABRO Cc1ccc(C(=O)CCC[N@@H+]2CC[C@@H](c3nc(-c4ccccc4)no3)C2)cc1 ZINC000257296548 212020294 /nfs/dbraw/zinc/02/02/94/212020294.db2.gz RDHLMJGVOHIQGZ-HXUWFJFHSA-N 1 0 375.472 4.497 40 0 GIABRO O=C(Nc1cccc(OCC[NH+]2CCCCC2)c1)c1n[nH]c2c1CCCCCC2 ZINC000257279634 212016472 /nfs/dbraw/zinc/01/64/72/212016472.db2.gz OHMKZUCKZJEZPM-UHFFFAOYSA-N 1 0 396.535 4.186 40 0 GIABRO Cc1cnc(Nc2cc(CC3CC[NH+](Cc4cccnc4)CC3)nc(C)n2)s1 ZINC000257268886 212014613 /nfs/dbraw/zinc/01/46/13/212014613.db2.gz MNQUKNMYUZVXFO-UHFFFAOYSA-N 1 0 394.548 4.143 40 0 GIABRO Cn1cc(C[NH+]2CCC(c3cccc(Nc4cnccn4)n3)CC2)c2ccccc21 ZINC000257265139 212012011 /nfs/dbraw/zinc/01/20/11/212012011.db2.gz LXLRPAFVJCDMAX-UHFFFAOYSA-N 1 0 398.514 4.487 40 0 GIABRO Cc1cccc(C(=O)N2[C@@H]3CCC[C@@H]4[N@H+](C)[C@@H](C[C@@]43C)[C@@H]2Cc2ccccc2)n1 ZINC000257252406 212011406 /nfs/dbraw/zinc/01/14/06/212011406.db2.gz JURMRJMGCARUNB-WHGMEAMLSA-N 1 0 389.543 4.089 40 0 GIABRO C[NH+](C)CCCNc1nc(Nc2ccc(C(C)(C)C)cc2)cc(C(F)(F)F)n1 ZINC000329050864 209159774 /nfs/dbraw/zinc/15/97/74/209159774.db2.gz UVJFMBRDWJCSCA-UHFFFAOYSA-N 1 0 395.473 4.322 40 0 GIABRO Cc1noc(C)c1-c1cc(C[C@@H]2CCC[N@H+](Cc3nccs3)CC2)ncn1 ZINC000257218701 212005421 /nfs/dbraw/zinc/00/54/21/212005421.db2.gz DEEFWJLPOXCNDK-MRXNPFEDSA-N 1 0 383.521 4.050 40 0 GIABRO O=C(C[NH+]1CCCCCC1)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 ZINC000257202187 212002464 /nfs/dbraw/zinc/00/24/64/212002464.db2.gz AKUQNYQOCFMUQU-NRFANRHFSA-N 1 0 381.520 4.195 40 0 GIABRO CC(C)c1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(NC2CC2)[nH+]1 ZINC000328962013 209154536 /nfs/dbraw/zinc/15/45/36/209154536.db2.gz BGNQIFGQGSZGAE-UHFFFAOYSA-N 1 0 392.425 4.058 40 0 GIABRO Cc1cc(O[C@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)ccc1Cl ZINC000224636009 211869792 /nfs/dbraw/zinc/86/97/92/211869792.db2.gz USKPINSHKDNZAC-QGZVFWFLSA-N 1 0 386.923 4.328 40 0 GIABRO CC(C)c1ccccc1O[C@H](C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224623522 211866718 /nfs/dbraw/zinc/86/67/18/211866718.db2.gz ZYQCHRBJCLVREE-LJQANCHMSA-N 1 0 380.532 4.490 40 0 GIABRO CC(C)C[C@@H]1[NH2+][C@H](C(=O)NC2CCC2)Cc2cn(CC3CC3)c3cccc1c23 ZINC000049171531 211458476 /nfs/dbraw/zinc/45/84/76/211458476.db2.gz YWDCFXSGFPFFPS-SFTDATJTSA-N 1 0 379.548 4.322 40 0 biogenic,in-vitro GIABRO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)NC4CCCCC4)C3)C2)c1 ZINC000096215706 211318956 /nfs/dbraw/zinc/31/89/56/211318956.db2.gz PHPWCYZUMYYRTL-HSZRJFAPSA-N 1 0 385.552 4.025 40 0 GIABRO CC(C)CNC(=O)C[C@H]1CC2(CC[NH+](Cc3ccco3)CC2)Oc2ccccc21 ZINC000096053505 211298548 /nfs/dbraw/zinc/29/85/48/211298548.db2.gz VOFYJOWDOPTSLX-IBGZPJMESA-N 1 0 396.531 4.343 40 0 GIABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccsc3)CC2)Oc2ccccc21)NC1CC1 ZINC000096053419 211297600 /nfs/dbraw/zinc/29/76/00/211297600.db2.gz CMDXTZRRHMUEOS-GOSISDBHSA-N 1 0 396.556 4.318 40 0 GIABRO CC(C)NC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccoc3)CC2)Oc2ccccc21 ZINC000096053309 211297811 /nfs/dbraw/zinc/29/78/11/211297811.db2.gz DIDBGBOKHYTFOH-LJQANCHMSA-N 1 0 382.504 4.095 40 0 GIABRO CC(C)NC(=O)C[C@H]1CC2(CC[NH+](Cc3nccs3)CC2)c2ccccc21 ZINC000096052616 211296971 /nfs/dbraw/zinc/29/69/71/211296971.db2.gz UJYXAZXWZJOSBP-KRWDZBQOSA-N 1 0 383.561 4.079 40 0 GIABRO COc1cccc(-c2ccc3nc(C4CC[NH+](Cc5cccnc5)CC4)nn3c2)c1 ZINC000096038228 211296423 /nfs/dbraw/zinc/29/64/23/211296423.db2.gz XSWLNQMTSMSDEJ-UHFFFAOYSA-N 1 0 399.498 4.180 40 0 GIABRO C[N@@H+]1CCC[C@@H](c2cccc(CC3(C(=O)NC4CCCCC4)CCOCC3)c2)C1 ZINC000072372248 211103367 /nfs/dbraw/zinc/10/33/67/211103367.db2.gz ARMOZYVENJUXCO-JOCHJYFZSA-N 1 0 398.591 4.284 40 0 GIABRO CC(C)C[N@@H+]1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)n[nH]2)C1 ZINC000072371205 211102664 /nfs/dbraw/zinc/10/26/64/211102664.db2.gz FTXXCQUWNPWJJH-HNNXBMFYSA-N 1 0 381.442 4.495 40 0 GIABRO Cc1c(C[N@@H+]2CCC[C@@H](c3cc(Nc4ncccc4C)cc(C)n3)C2)cnn1C ZINC000072374947 211105208 /nfs/dbraw/zinc/10/52/08/211105208.db2.gz JIVPRNKSQXRSCK-LJQANCHMSA-N 1 0 390.535 4.259 40 0 GIABRO Clc1ccccc1OCCc1cc([C@H]2CC[N@H+](Cc3ccccn3)C2)[nH]n1 ZINC000072378130 211104825 /nfs/dbraw/zinc/10/48/25/211104825.db2.gz XKTBJQHJCVJQJB-INIZCTEOSA-N 1 0 382.895 4.069 40 0 GIABRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccnc(Nc3ccc(C)cn3)n2)cc1 ZINC000072377435 211104281 /nfs/dbraw/zinc/10/42/81/211104281.db2.gz FMLDQSLNVMITFQ-HXUWFJFHSA-N 1 0 375.476 4.269 40 0 GIABRO Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072345977 211095648 /nfs/dbraw/zinc/09/56/48/211095648.db2.gz IWVPEOKCDLJTRC-MRXNPFEDSA-N 1 0 379.895 4.154 40 0 GIABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](c2cccc(Cc3cccc(C)c3)n2)C1 ZINC000072348757 211095463 /nfs/dbraw/zinc/09/54/63/211095463.db2.gz DSHFNVPNZKRIKI-NRFANRHFSA-N 1 0 379.548 4.029 40 0 GIABRO O=C(C[N@H+]1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1)N1CCCCC1 ZINC000072348705 211094756 /nfs/dbraw/zinc/09/47/56/211094756.db2.gz HEMPGLHWRWEBPJ-HXUWFJFHSA-N 1 0 395.522 4.003 40 0 GIABRO CC(=O)N1CCC([NH+]2CCC(c3cccc(Cc4ccc(F)cc4)n3)CC2)CC1 ZINC000072350205 211097755 /nfs/dbraw/zinc/09/77/55/211097755.db2.gz FUNKNRYNYMSHSB-UHFFFAOYSA-N 1 0 395.522 4.002 40 0 GIABRO O=C(C[N@H+]1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1)N1CCCC1 ZINC000072348789 211095791 /nfs/dbraw/zinc/09/57/91/211095791.db2.gz WLSNJNQTYVGSHD-IBGZPJMESA-N 1 0 397.950 4.128 40 0 GIABRO CCCCOc1ccc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1C ZINC000027823731 210518124 /nfs/dbraw/zinc/51/81/24/210518124.db2.gz BITKPHDQUSDPLO-UHFFFAOYSA-N 1 0 396.597 4.070 40 0 GIABRO O=C(CC1CC[NH+](CCc2ccccc2)CC1)Nc1cccc(-n2cccn2)c1 ZINC000019748286 210291442 /nfs/dbraw/zinc/29/14/42/210291442.db2.gz OUYMRUXQSQFHTF-UHFFFAOYSA-N 1 0 388.515 4.156 40 0 GIABRO CCc1nc2ccccc2n1[C@@H](C)C(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000019718471 210289272 /nfs/dbraw/zinc/28/92/72/210289272.db2.gz DNVSMCNXFOHHKH-KRWDZBQOSA-N 1 0 376.504 4.394 40 0 GIABRO Cc1nn(-c2ccc(F)cc2)c(C)c1-c1cncn1CC[N@@H+](C)C1CCCC1 ZINC000019719656 210288399 /nfs/dbraw/zinc/28/83/99/210288399.db2.gz PVVQLIVFRDJNMB-UHFFFAOYSA-N 1 0 381.499 4.366 40 0 GIABRO Cc1nc2cc(C)ccn2c1C[N@H+]1CCC[C@@H]1c1ccc(-c2cnn(C)c2)cn1 ZINC000019688920 210281479 /nfs/dbraw/zinc/28/14/79/210281479.db2.gz ZVZDIPNKUHQWBV-OAQYLSRUSA-N 1 0 386.503 4.084 40 0 GIABRO Cc1cc(Cc2ccc(F)cc2)cc(C2CC[NH+](Cc3cnn(C)c3)CC2)n1 ZINC000019691624 210280878 /nfs/dbraw/zinc/28/08/78/210280878.db2.gz AFUHRRLNJZQUPY-UHFFFAOYSA-N 1 0 378.495 4.233 40 0 GIABRO Cc1cc(C)n(C2CC[NH+](Cc3c(C)nn(-c4ccccc4C)c3C)CC2)n1 ZINC000019659221 210277295 /nfs/dbraw/zinc/27/72/95/210277295.db2.gz PRBJABAMCRFJKA-UHFFFAOYSA-N 1 0 377.536 4.448 40 0 GIABRO O=C(NCc1nc(-c2cccs2)no1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000219964525 518200435 /nfs/dbraw/zinc/20/04/35/518200435.db2.gz WJVCFLOBGPBLEF-UHFFFAOYSA-N 1 0 396.516 4.104 40 0 GIABRO COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)[N@@H+](C2CCCC2)C3)cc1 ZINC000096111877 560061043 /nfs/dbraw/zinc/06/10/43/560061043.db2.gz LISBRHVXDUVUJO-UNMCSNQZSA-N 1 0 392.499 4.006 40 0 biogenic,in-vitro GIABRO CN(C)c1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)o2)cc1 ZINC000049170185 560084622 /nfs/dbraw/zinc/08/46/22/560084622.db2.gz ACEFYDIJMGFMDI-KRWDZBQOSA-N 1 0 382.895 4.446 40 0 biogenic,in-vitro GIABRO CN(C)c1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccc(F)c(F)c4)C3)o2)cc1 ZINC000049170199 560084679 /nfs/dbraw/zinc/08/46/79/560084679.db2.gz OZPHXRIGGKUSDG-INIZCTEOSA-N 1 0 384.430 4.070 40 0 biogenic,in-vitro GIABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccccc2)on1)Nc1ccccc1 ZINC000008623581 560209925 /nfs/dbraw/zinc/20/99/25/560209925.db2.gz QQGAJHHBJUQQMT-OALUTQOASA-N 1 0 375.472 4.139 40 0 biogenic,in-vitro GIABRO Cc1cnc(Nc2cccc(CC3CC[NH+](Cc4ccccn4)CC3)n2)s1 ZINC000585262661 570230939 /nfs/dbraw/zinc/23/09/39/570230939.db2.gz PONIBOKJRVAAHN-UHFFFAOYSA-N 1 0 379.533 4.440 40 0 GIABRO CC(C)[N@@H+]1CCC[C@H](c2cnc(Nc3ncc(-c4ccccc4)s3)cn2)C1 ZINC000585263142 570231485 /nfs/dbraw/zinc/23/14/85/570231485.db2.gz OMIVFWZLQDRMJX-KRWDZBQOSA-N 1 0 379.533 4.353 40 0 GIABRO CC(=O)N1CCC[C@H]([NH2+]CCc2ccc(Cl)cc2)[C@@H]1Cc1cccc(C)c1 ZINC000585283698 570251971 /nfs/dbraw/zinc/25/19/71/570251971.db2.gz BTMNWZPNIRLXAA-GOTSBHOMSA-N 1 0 384.951 4.403 40 0 GIABRO CCN(CC)CC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000022075102 570321375 /nfs/dbraw/zinc/32/13/75/570321375.db2.gz NUMDAVOULSVITN-UHFFFAOYSA-N 1 0 376.928 4.359 40 0 GIABRO COc1ccccc1[C@H](C)NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000223088499 570442391 /nfs/dbraw/zinc/44/23/91/570442391.db2.gz UBKRNEHGYJJLTD-INIZCTEOSA-N 1 0 386.923 4.438 40 0 GIABRO O=C(NCCSCc1ccccc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039773203 570446500 /nfs/dbraw/zinc/44/65/00/570446500.db2.gz QIBFVNFXZLSHNF-UHFFFAOYSA-N 1 0 386.536 4.087 40 0 GIABRO COc1ccc(Cl)cc1NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039745390 570446983 /nfs/dbraw/zinc/44/69/83/570446983.db2.gz RKWSEIJCMWYHFE-UHFFFAOYSA-N 1 0 376.859 4.338 40 0 GIABRO O=C(NCCCc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039755916 570447832 /nfs/dbraw/zinc/44/78/32/570447832.db2.gz DBZSULGAIGYZCE-UHFFFAOYSA-N 1 0 388.914 4.440 40 0 GIABRO COc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)c2ccc(F)cc2)C3)cc1 ZINC000035289832 570455520 /nfs/dbraw/zinc/45/55/20/570455520.db2.gz VEAQXSPTSKUZFS-SEJPIABJSA-N 1 0 382.479 4.150 40 0 GIABRO C[n+]1cc(Br)cc(-c2nc3ccc(Br)cc3s2)c1 ZINC000226776775 570461357 /nfs/dbraw/zinc/46/13/57/570461357.db2.gz QASLSUHLMCQIAU-UHFFFAOYSA-N 1 0 385.104 4.313 40 0 GIABRO O=C(Nc1nnc(-c2ccccc2)s1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000223625337 570474969 /nfs/dbraw/zinc/47/49/69/570474969.db2.gz KOTXPPKEPULCFO-KRWDZBQOSA-N 1 0 396.491 4.195 40 0 GIABRO CC(C)c1ccccc1OCC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000030551919 570491388 /nfs/dbraw/zinc/49/13/88/570491388.db2.gz ZGDLUVKKCJDSKQ-UHFFFAOYSA-N 1 0 380.532 4.491 40 0 GIABRO CCc1ccc(CC)c(CNC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000224015850 570494544 /nfs/dbraw/zinc/49/45/44/570494544.db2.gz WEYKWPKDKZWBNJ-NRFANRHFSA-N 1 0 382.523 4.479 40 0 GIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCCN3CCc4ccccc43)cc2)C1 ZINC000030862479 570499526 /nfs/dbraw/zinc/49/95/26/570499526.db2.gz LPZQWJMJRLLKFN-HXUWFJFHSA-N 1 0 391.559 4.101 40 0 GIABRO Cc1ccc(OCCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1C ZINC000224332052 570509342 /nfs/dbraw/zinc/50/93/42/570509342.db2.gz DLHUBCWFXQJVIN-UHFFFAOYSA-N 1 0 380.532 4.344 40 0 GIABRO CC(C)(C)c1ccccc1OCC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032463722 570510689 /nfs/dbraw/zinc/51/06/89/570510689.db2.gz OOMFRTHWWHWKKO-UHFFFAOYSA-N 1 0 380.532 4.275 40 0 GIABRO Cc1ccccc1OCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000224536394 570517202 /nfs/dbraw/zinc/51/72/02/570517202.db2.gz CAMGRAFKCDSIGZ-UHFFFAOYSA-N 1 0 386.923 4.056 40 0 GIABRO CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224636409 570521839 /nfs/dbraw/zinc/52/18/39/570521839.db2.gz IVAWETUFPAGQNF-QHCPKHFHSA-N 1 0 380.532 4.373 40 0 GIABRO CC(C)c1ccc(OCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224675747 570523843 /nfs/dbraw/zinc/52/38/43/570523843.db2.gz IAXBETQLJNGUMZ-UHFFFAOYSA-N 1 0 380.532 4.491 40 0 GIABRO CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224788320 570530854 /nfs/dbraw/zinc/53/08/54/570530854.db2.gz AHUBJNAWZXPIDU-JOCHJYFZSA-N 1 0 380.532 4.373 40 0 GIABRO CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224787880 570531021 /nfs/dbraw/zinc/53/10/21/570531021.db2.gz JYGDJVIMEHGPSP-HSZRJFAPSA-N 1 0 380.532 4.373 40 0 GIABRO CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224800770 570531304 /nfs/dbraw/zinc/53/13/04/570531304.db2.gz QUMQICLPEGVOFQ-HSZRJFAPSA-N 1 0 380.532 4.373 40 0 GIABRO CC(C)(C)c1ccc(OCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000008429998 570531484 /nfs/dbraw/zinc/53/14/84/570531484.db2.gz DXOYDMAGNXGVOC-UHFFFAOYSA-N 1 0 380.532 4.275 40 0 GIABRO CCc1ccccc1O[C@H](C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224836371 570533149 /nfs/dbraw/zinc/53/31/49/570533149.db2.gz JQMUOSGSIPVRRB-LJQANCHMSA-N 1 0 380.532 4.319 40 0 GIABRO O=C(COc1ccc2c(c1)CCCC2)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224850943 570534100 /nfs/dbraw/zinc/53/41/00/570534100.db2.gz JQBJPCLLLHDSFY-UHFFFAOYSA-N 1 0 392.543 4.247 40 0 GIABRO O=c1c(C[N@H+](CCCn2ccnc2)C[C@H]2CC=CCC2)coc2ccccc12 ZINC000036740220 570568731 /nfs/dbraw/zinc/56/87/31/570568731.db2.gz WJYWOPRCOMXPEA-IBGZPJMESA-N 1 0 377.488 4.238 40 0 GIABRO CCOC(=O)c1ccccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000038834616 570585809 /nfs/dbraw/zinc/58/58/09/570585809.db2.gz DVNVCUCLXOXBLM-KRWDZBQOSA-N 1 0 380.488 4.348 40 0 GIABRO CC(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000038857657 570588371 /nfs/dbraw/zinc/58/83/71/570588371.db2.gz BRLSGAZOWKHKTB-KRWDZBQOSA-N 1 0 385.895 4.149 40 0 GIABRO COC1(C(=O)Nc2ccc(OCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCCCC1 ZINC000225628486 570596152 /nfs/dbraw/zinc/59/61/52/570596152.db2.gz QAQKEYIQBOVOMN-KDURUIRLSA-N 1 0 388.552 4.331 40 0 GIABRO CC[NH+](CC)CCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1 ZINC000225636139 570596897 /nfs/dbraw/zinc/59/68/97/570596897.db2.gz UDJAVDJVRSJICG-AVRDEDQJSA-N 1 0 376.541 4.331 40 0 GIABRO CCCO[C@](C)(C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1)C1CC1 ZINC000225672031 570601188 /nfs/dbraw/zinc/60/11/88/570601188.db2.gz SATCEJMGZDBSMG-QHCPKHFHSA-N 1 0 388.552 4.331 40 0 GIABRO CCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000225692730 570604018 /nfs/dbraw/zinc/60/40/18/570604018.db2.gz UVFBFMXAIXUDBA-QFIPXVFZSA-N 1 0 376.541 4.331 40 0 GIABRO CCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCC(C)CC3)cc2)CCCC1 ZINC000225707130 570606742 /nfs/dbraw/zinc/60/67/42/570606742.db2.gz GASWKZBWLYNSBG-UHFFFAOYSA-N 1 0 388.552 4.475 40 0 GIABRO CCCOC(C)(C)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225727664 570609718 /nfs/dbraw/zinc/60/97/18/570609718.db2.gz JUFAEYUOFVMMBL-UHFFFAOYSA-N 1 0 376.541 4.475 40 0 GIABRO OC1(Cn2c(C(F)(F)F)cc3cccnc32)CC[NH+](Cc2ccsc2)CC1 ZINC000012132423 570613926 /nfs/dbraw/zinc/61/39/26/570613926.db2.gz RFDJVTURLDKOEP-UHFFFAOYSA-N 1 0 395.450 4.144 40 0 GIABRO Cc1ccc(NC(=S)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c(C)c1 ZINC000225771834 570615239 /nfs/dbraw/zinc/61/52/39/570615239.db2.gz FJJVMBPOIAQFFY-UHFFFAOYSA-N 1 0 383.561 4.263 40 0 GIABRO Cc1nc(-c2ccccc2)c(CC(=O)N2CCCC[C@H]2C[NH+]2CCCC2)s1 ZINC000012238194 570629346 /nfs/dbraw/zinc/62/93/46/570629346.db2.gz ZEBMPSTXPBBQFN-IBGZPJMESA-N 1 0 383.561 4.138 40 0 GIABRO Cc1ccc(C2(O)CC[NH+](Cc3ccccc3OCc3cccnc3)CC2)cc1 ZINC000012293094 570633643 /nfs/dbraw/zinc/63/36/43/570633643.db2.gz DMSDPLAPPIRPKC-UHFFFAOYSA-N 1 0 388.511 4.453 40 0 GIABRO CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875319 570637718 /nfs/dbraw/zinc/63/77/18/570637718.db2.gz BHHUBZUSXOZWFD-JOCHJYFZSA-N 1 0 384.495 4.285 40 0 GIABRO CC[C@@H](Oc1ccccc1F)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875451 570638069 /nfs/dbraw/zinc/63/80/69/570638069.db2.gz MFKZOBRHAWUSTA-OAQYLSRUSA-N 1 0 384.495 4.285 40 0 GIABRO CCOC(=O)c1ccc(C)c(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000044911900 570642751 /nfs/dbraw/zinc/64/27/51/570642751.db2.gz HLDNSGMWSHWIEP-UHFFFAOYSA-N 1 0 398.478 4.162 40 0 GIABRO CN(CCNC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000044916938 570643380 /nfs/dbraw/zinc/64/33/80/570643380.db2.gz BAYYLAZMOHYGTM-UHFFFAOYSA-N 1 0 399.538 4.111 40 0 GIABRO Cc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC1)O2 ZINC000012329813 570644139 /nfs/dbraw/zinc/64/41/39/570644139.db2.gz PNAIPXYJYHICDW-VQTJNVASSA-N 1 0 387.907 4.033 40 0 GIABRO O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000044938411 570644867 /nfs/dbraw/zinc/64/48/67/570644867.db2.gz FNQLFUYACOEOSW-UHFFFAOYSA-N 1 0 391.515 4.442 40 0 GIABRO Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCC(O)(c2ccc(C)cc2)CC1 ZINC000012344336 570645213 /nfs/dbraw/zinc/64/52/13/570645213.db2.gz WEINLAMXGWJWCK-UHFFFAOYSA-N 1 0 389.543 4.340 40 0 GIABRO O=C(NCCOc1ccc2ccccc2c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047305655 570653647 /nfs/dbraw/zinc/65/36/47/570653647.db2.gz BCCYXWSBYVVXJY-UHFFFAOYSA-N 1 0 388.511 4.247 40 0 GIABRO Cc1cc(SCc2c(F)cccc2Cl)c2n(Cc3ccccc3)nc[n+]2n1 ZINC000059596911 570657480 /nfs/dbraw/zinc/65/74/80/570657480.db2.gz OPEBMPWHAKGEFA-UHFFFAOYSA-N 1 0 399.902 4.458 40 0 GIABRO CCOC(=O)c1ccc(C)c(NC(=S)NCCC[N@@H+]2CCCC[C@H]2CC)c1 ZINC000260732812 570701132 /nfs/dbraw/zinc/70/11/32/570701132.db2.gz BPZLRJJLVIASQI-GOSISDBHSA-N 1 0 391.581 4.113 40 0 GIABRO Oc1ccc(-c2n[nH]cc2C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1 ZINC000057811156 570704270 /nfs/dbraw/zinc/70/42/70/570704270.db2.gz LGHPRDJYWANGFT-NRFANRHFSA-N 1 0 381.451 4.103 40 0 GIABRO COc1ccc(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4cccc(F)c4)C[C@@H]32)c(C)c1C ZINC000012734509 570706690 /nfs/dbraw/zinc/70/66/90/570706690.db2.gz DVNFXTUUSJQSOK-IRLDBZIGSA-N 1 0 396.506 4.188 40 0 GIABRO CO[C@]1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@H](C)C3)cc2)CCC[C@H](C)C1 ZINC000260816734 570707181 /nfs/dbraw/zinc/70/71/81/570707181.db2.gz PBHMGWBUHIJJRX-SFYKDHMMSA-N 1 0 388.552 4.331 40 0 GIABRO CCO[C@](C)(CC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260818216 570708543 /nfs/dbraw/zinc/70/85/43/570708543.db2.gz XXOMUBTYGMDQDR-PGRDOPGGSA-N 1 0 376.541 4.331 40 0 GIABRO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2)CC1 ZINC000255188847 570744485 /nfs/dbraw/zinc/74/44/85/570744485.db2.gz LZNQEZBYVGBLEX-WKILWMFISA-N 1 0 383.330 4.375 40 0 GIABRO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CCc2ccccc2Br)C1 ZINC000089212696 570747836 /nfs/dbraw/zinc/74/78/36/570747836.db2.gz JATAKBOVCWQGEM-OAHLLOKOSA-N 1 0 397.357 4.228 40 0 GIABRO CC(C)(C)OC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1Br ZINC000089212750 570747902 /nfs/dbraw/zinc/74/79/02/570747902.db2.gz SOGCAFQIADRZAQ-HNNXBMFYSA-N 1 0 383.330 4.328 40 0 GIABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1 ZINC000006629885 570748173 /nfs/dbraw/zinc/74/81/73/570748173.db2.gz LTFGMZZHJRNFLY-UHFFFAOYSA-N 1 0 375.925 4.309 40 0 GIABRO CC[NH+](CC)Cc1ccc(NC(=O)COc2ccc(Br)cc2)cc1 ZINC000006949605 570751291 /nfs/dbraw/zinc/75/12/91/570751291.db2.gz BSWFWBYQKUNWQZ-UHFFFAOYSA-N 1 0 391.309 4.308 40 0 GIABRO CC[C@H](C)[NH2+]Cc1cc(Br)c(OCc2cccnc2)c(OC)c1 ZINC000006870768 570752240 /nfs/dbraw/zinc/75/22/40/570752240.db2.gz LYKZEHKIQVKFHR-ZDUSSCGKSA-N 1 0 379.298 4.320 40 0 GIABRO CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010313902 570787236 /nfs/dbraw/zinc/78/72/36/570787236.db2.gz PCDISEFXTZBFDH-UHFFFAOYSA-N 1 0 393.531 4.453 40 0 GIABRO Cc1[nH]c2cccc3c2c1CCN1C(=O)OC2(CC(C)(C)[NH2+]C(C)(C)C2)[C@@]31C ZINC000004127008 570992728 /nfs/dbraw/zinc/99/27/28/570992728.db2.gz MMIKFMRJOKJVDU-JOCHJYFZSA-N 1 0 381.520 4.379 40 0 GIABRO Cc1c(C[N@H+]2CC[C@H](c3cc(COc4ccc(C(C)C)cc4)[nH]n3)C2)cnn1C ZINC000019704540 818601695 /nfs/dbraw/zinc/60/16/95/818601695.db2.gz ADOXTCQPSRGSDD-IBGZPJMESA-N 1 0 393.535 4.144 40 0 GIABRO Cc1nc(CC(=O)N2[C@H](Cc3ccccc3)C[C@H]3[C@H]2CCCCC[N@H+]3C)cs1 ZINC000019713080 818603317 /nfs/dbraw/zinc/60/33/17/818603317.db2.gz LUUIJNZTDCDEFA-VSKRKVRLSA-N 1 0 397.588 4.081 40 0 GIABRO CCOc1ccc(N2C[C@@](O)(c3ccc(OCC)cc3)[N+]3=C2CCCCC3)cc1 ZINC000022408687 818802694 /nfs/dbraw/zinc/80/26/94/818802694.db2.gz HZLYGYQPUIDJRU-XMMPIXPASA-N 1 0 395.523 4.134 40 0 GIABRO Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000044852668 821672993 /nfs/dbraw/zinc/67/29/93/821672993.db2.gz JNUPAPYDKZPHKK-ICSRJNTNSA-N 1 0 380.532 4.424 40 0 GIABRO Cc1cc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2C)c(C[NH+]2CCCC2)o1 ZINC000019567812 210266741 /nfs/dbraw/zinc/26/67/41/210266741.db2.gz JNEMSPDOJOJPBK-MRXNPFEDSA-N 1 0 377.488 4.425 40 0 GIABRO Cc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000019568923 210266750 /nfs/dbraw/zinc/26/67/50/210266750.db2.gz GCPGQYKPYDDFJR-AWEZNQCLSA-N 1 0 376.382 4.325 40 0 GIABRO Cc1cc(C)c(-n2cccn2)c(C[N@@H+](Cc2ccccn2)C[C@@H]2CCCO2)c1 ZINC000019566886 210266330 /nfs/dbraw/zinc/26/63/30/210266330.db2.gz CQHBKYYXNGZONZ-QFIPXVFZSA-N 1 0 376.504 4.065 40 0 GIABRO COc1ccc([C@H]2CCCN2C(=O)[C@@H](c2ccccc2)[NH+]2CCCC2)cc1OC ZINC000019560181 210263054 /nfs/dbraw/zinc/26/30/54/210263054.db2.gz FYQCRGMKAWFBIM-NFBKMPQASA-N 1 0 394.515 4.204 40 0 GIABRO COc1ccc(C2(C[NH+]3CCC(NC(=O)[C@H]4C[C@H]4C)CC3)CCCCC2)cc1 ZINC000019495850 210252075 /nfs/dbraw/zinc/25/20/75/210252075.db2.gz WMHWRTFCOBDXBB-GCJKJVERSA-N 1 0 384.564 4.134 40 0 GIABRO O=C(N[C@H](c1ccccn1)C1CC[NH+](CC2CCCCC2)CC1)c1ccccn1 ZINC000019400782 210249360 /nfs/dbraw/zinc/24/93/60/210249360.db2.gz WMHZHIKZEBIKRA-QHCPKHFHSA-N 1 0 392.547 4.240 40 0 GIABRO O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000019401603 210248971 /nfs/dbraw/zinc/24/89/71/210248971.db2.gz HSJBNFIRQNEHMC-RDPSFJRHSA-N 1 0 392.547 4.126 40 0 GIABRO O=C(c1cccc(Br)c1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000408612405 231079692 /nfs/dbraw/zinc/07/96/92/231079692.db2.gz VTDVOOCJLUBYLR-UHFFFAOYSA-N 1 0 399.332 4.112 40 0 GIABRO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)C1CCC1 ZINC000019400539 210245673 /nfs/dbraw/zinc/24/56/73/210245673.db2.gz HKHIBFGKJVGZOA-XMSQKQJNSA-N 1 0 399.485 4.229 40 0 GIABRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CC2)cc1 ZINC000019210349 210231690 /nfs/dbraw/zinc/23/16/90/210231690.db2.gz GPIZGTTWUYQPAA-FKBYEOEOSA-N 1 0 380.557 4.283 40 0 GIABRO C/C(=C\c1ccccc1)C[NH+]1CCC([C@@H](NC(=O)C2CC2)c2ccccn2)CC1 ZINC000019014355 210221680 /nfs/dbraw/zinc/22/16/80/210221680.db2.gz FLVAFNGTIQGZHB-HJMGBZSKSA-N 1 0 389.543 4.464 40 0 GIABRO C[N@H+]1[C@@H]2CC[C@H]1CC(NCC(=O)N1c3ccccc3Sc3ccccc31)C2 ZINC000016248953 210187588 /nfs/dbraw/zinc/18/75/88/210187588.db2.gz MNQJAPRDZQBWJP-ALOPSCKCSA-N 1 0 379.529 4.031 40 0 GIABRO C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000015614248 210161112 /nfs/dbraw/zinc/16/11/12/210161112.db2.gz KSXGTHTVTWCBSJ-QGZVFWFLSA-N 1 0 386.923 4.410 40 0 GIABRO CCCC[NH+](CCCC)C[C@H](O)c1ccc(I)cc1 ZINC000001700089 209337229 /nfs/dbraw/zinc/33/72/29/209337229.db2.gz NDHXEFIQAXGTIR-INIZCTEOSA-N 1 0 375.294 4.227 40 0 GIABRO Cc1ccc(C[N@@H+]2CC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)s1 ZINC000306141947 212054640 /nfs/dbraw/zinc/05/46/40/212054640.db2.gz WLBNUGDNTCPGND-SFHVURJKSA-N 1 0 375.501 4.151 40 0 GIABRO COCCn1c(C(C)C)nc2c1C1(CC[NH+](CC3CC3)CC1)Oc1ccccc1-2 ZINC000306144354 212054715 /nfs/dbraw/zinc/05/47/15/212054715.db2.gz ZDDCOBHOYNNESQ-UHFFFAOYSA-N 1 0 395.547 4.413 40 0 GIABRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)s1 ZINC000306140745 212053515 /nfs/dbraw/zinc/05/35/15/212053515.db2.gz VCYDAHJYOXLVIX-QGZVFWFLSA-N 1 0 381.549 4.079 40 0 GIABRO Cc1ccsc1C[N@H+]1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccc(F)cc1 ZINC000306138540 212053347 /nfs/dbraw/zinc/05/33/47/212053347.db2.gz SAEPEBHZLZEPOC-VQTJNVASSA-N 1 0 395.503 4.079 40 0 GIABRO Clc1ccc(C[N@@H+]2CC[C@@]3(CN(Cc4cccnc4)c4cccnc43)C2)cc1 ZINC000306140757 212052299 /nfs/dbraw/zinc/05/22/99/212052299.db2.gz VDGBNSXYVJYTLP-QHCPKHFHSA-N 1 0 390.918 4.294 40 0 GIABRO CCN1Cc2c(-c3ccccc3)ncn2[C@]2(CCC[N@H+](Cc3cccs3)C2)C1 ZINC000306134899 212051328 /nfs/dbraw/zinc/05/13/28/212051328.db2.gz OBBPOBKWEQMRPP-HSZRJFAPSA-N 1 0 392.572 4.438 40 0 GIABRO Cc1ccc(C[N@@H+]2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)s1 ZINC000306140744 212053989 /nfs/dbraw/zinc/05/39/89/212053989.db2.gz VCYDAHJYOXLVIX-KRWDZBQOSA-N 1 0 381.549 4.079 40 0 GIABRO COc1ccc(F)cc1-c1ccc2nc([C@H]3CCC[N@H+](CC4CC4)C3)nn2c1 ZINC000306132111 212049441 /nfs/dbraw/zinc/04/94/41/212049441.db2.gz KYSVSRYEMAUVHB-KRWDZBQOSA-N 1 0 380.467 4.133 40 0 GIABRO COc1cccc(-c2ccc3nc([C@H]4CCC[N@H+](CC5CC5)C4)nn3c2)c1OC ZINC000306129412 212046564 /nfs/dbraw/zinc/04/65/64/212046564.db2.gz ICFBBGXGEFOIKR-SFHVURJKSA-N 1 0 392.503 4.003 40 0 GIABRO O=C1N(CC2CCC2)CC[C@]12C[N@H+](CC1CCCCC1)C[C@H]2c1nccs1 ZINC000306126723 212044742 /nfs/dbraw/zinc/04/47/42/212044742.db2.gz FDGVIMMZGCUODC-SIKLNZKXSA-N 1 0 387.593 4.141 40 0 GIABRO C[N@H+](Cc1cc(Cl)ccc1OCc1ccccc1)[C@@H]1CCCC[C@@H](O)[C@@H]1O ZINC000257339522 212028036 /nfs/dbraw/zinc/02/80/36/212028036.db2.gz ZCBONJBCPSJNFC-KCZVDYSFSA-N 1 0 389.923 4.015 40 0 GIABRO Cc1nc(-c2ccccc2F)sc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCC[N@H+]2C ZINC000257308190 212021418 /nfs/dbraw/zinc/02/14/18/212021418.db2.gz TVTXGBWYWRONDF-UWJYYQICSA-N 1 0 387.524 4.347 40 0 GIABRO C[N@@H+]1CCCCC[C@@H]2N(C(=O)Cc3cccnc3)[C@H](c3ccccc3)C[C@@]21C ZINC000257296100 212020666 /nfs/dbraw/zinc/02/06/66/212020666.db2.gz RBFYGCSMQFBFOJ-FIXSFTCYSA-N 1 0 377.532 4.231 40 0 GIABRO Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC[C@@H]2[N@H+](C)CCC[C@@]21C ZINC000257296476 212019432 /nfs/dbraw/zinc/01/94/32/212019432.db2.gz RDADVPJHYCFJEX-AVRDEDQJSA-N 1 0 383.561 4.131 40 0 GIABRO CCNc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(C2CC2)[nH+]1 ZINC000329020812 209158358 /nfs/dbraw/zinc/15/83/58/209158358.db2.gz OCXGISVQJHUTMF-UHFFFAOYSA-N 1 0 378.398 4.247 40 0 GIABRO CNc1cc([C@@H]2CCCN2C(=O)c2ccccc2C[NH+]2CCCCC2)ccn1 ZINC000257238956 212009132 /nfs/dbraw/zinc/00/91/32/212009132.db2.gz HNFXFGFRAWQSEZ-NRFANRHFSA-N 1 0 378.520 4.087 40 0 GIABRO Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCCN(C(=O)c3cnccn3)C2)[nH+]1 ZINC000257221653 212005164 /nfs/dbraw/zinc/00/51/64/212005164.db2.gz DQACZNHDQUZNDL-MRXNPFEDSA-N 1 0 391.450 4.083 40 0 GIABRO CCCNC(=O)C1(Cc2ccccc2-c2cccnc2)CC[NH+](CC2CC2)CC1 ZINC000257210224 212003821 /nfs/dbraw/zinc/00/38/21/212003821.db2.gz BTROBURHHHTTQJ-UHFFFAOYSA-N 1 0 391.559 4.310 40 0 GIABRO Cc1nc(N2CCc3cc(C(C)(C)O)ccc3C2)cc(NC2CCCCC2)[nH+]1 ZINC000329038083 209157136 /nfs/dbraw/zinc/15/71/36/209157136.db2.gz RRAQKNPGDPTMBY-UHFFFAOYSA-N 1 0 380.536 4.320 40 0 GIABRO CCc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(N[C@H](C)CC)[nH+]1 ZINC000329012544 209156409 /nfs/dbraw/zinc/15/64/09/209156409.db2.gz MKFAOTUOTZBYNC-CYBMUJFWSA-N 1 0 394.441 4.133 40 0 GIABRO CCc1cc(N2CCc3cc(Cl)ccc3C2)nc(NCc2ccccc2)[nH+]1 ZINC000328989619 209156191 /nfs/dbraw/zinc/15/61/91/209156191.db2.gz IKHWRRGNQJDTDZ-UHFFFAOYSA-N 1 0 378.907 4.289 40 0 GIABRO CCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225611657 211911307 /nfs/dbraw/zinc/91/13/07/211911307.db2.gz KFEQPNZZPGPXTK-JBYIUTFZSA-N 1 0 376.541 4.187 40 0 GIABRO C[C@@H]1CCC[N@H+](CCOc2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)C1 ZINC000225589908 211908149 /nfs/dbraw/zinc/90/81/49/211908149.db2.gz VGXPSCHHYXVIJR-GFCCVEGCSA-N 1 0 379.715 4.106 40 0 GIABRO CC(C)Sc1nnc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)s1 ZINC000224679080 211868946 /nfs/dbraw/zinc/86/89/46/211868946.db2.gz WFSCKFBRDISQBH-CQSZACIVSA-N 1 0 394.541 4.028 40 0 GIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCOc3ccc(Cl)cc3)cc2)C1 ZINC000224333027 211859277 /nfs/dbraw/zinc/85/92/77/211859277.db2.gz HAGCZBGIJQZVLJ-QGZVFWFLSA-N 1 0 386.923 4.381 40 0 GIABRO Cc1ccc(CC(=O)NC[C@H]2CC[C@H]([C@H](c3ccccn3)[NH+](C)C)CC2)cc1 ZINC000100750221 211391370 /nfs/dbraw/zinc/39/13/70/211391370.db2.gz DILLVVLYHKUSGS-ZFGGDYGUSA-N 1 0 379.548 4.158 40 0 GIABRO COc1ccc2c(c1Oc1ccccc1)[C@@]13CC[N@H+](C)[C@@H](C2)[C@H]1CCC(=O)C3 ZINC000096316422 211333779 /nfs/dbraw/zinc/33/37/79/211333779.db2.gz GUMLCSIEVNHVBR-JXALWOEJSA-N 1 0 377.484 4.355 40 0 biogenic,in-vitro GIABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccsc3)CC2)Oc2ccccc21)NC1CC1 ZINC000096053421 211298817 /nfs/dbraw/zinc/29/88/17/211298817.db2.gz CMDXTZRRHMUEOS-SFHVURJKSA-N 1 0 396.556 4.318 40 0 GIABRO O=C(C[C@H]1CC2(CC[NH+](Cc3cccs3)CC2)c2ccccc21)NC1CC1 ZINC000096052970 211297145 /nfs/dbraw/zinc/29/71/45/211297145.db2.gz GWRFNXXVIRTLJE-KRWDZBQOSA-N 1 0 380.557 4.438 40 0 GIABRO Cc1noc(C)c1C[NH+]1CCC2(C[C@H](CC(=O)NC(C)C)c3ccccc32)CC1 ZINC000096052621 211296939 /nfs/dbraw/zinc/29/69/39/211296939.db2.gz MFDFVUOBQWDCRF-IBGZPJMESA-N 1 0 395.547 4.227 40 0 GIABRO CN1CCn2c(-c3cccc(F)c3)cnc2C12CC[NH+](Cc1cccs1)CC2 ZINC000096036959 211296194 /nfs/dbraw/zinc/29/61/94/211296194.db2.gz WZLVEEIBZBZOBM-UHFFFAOYSA-N 1 0 396.535 4.187 40 0 GIABRO C[NH+](C)CCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000015826508 211126708 /nfs/dbraw/zinc/12/67/08/211126708.db2.gz CDIKRAOHEAVDPR-UHFFFAOYSA-N 1 0 396.494 4.255 40 0 GIABRO COc1cccc(OCCc2cc([C@H]3CC[N@H+](Cc4ccc(F)cc4)C3)[nH]n2)c1 ZINC000072371212 211103051 /nfs/dbraw/zinc/10/30/51/211103051.db2.gz JSOAMIPFZRMPQF-SFHVURJKSA-N 1 0 395.478 4.168 40 0 GIABRO COc1ccc(CC[N@@H+]2CCC[C@H]2c2cc(Nc3cnccn3)cc(C)n2)cc1 ZINC000072372522 211102422 /nfs/dbraw/zinc/10/24/22/211102422.db2.gz UAMUIJZBQZUMDU-QFIPXVFZSA-N 1 0 389.503 4.312 40 0 GIABRO CC(C)C[N@@H+]1CCCCC[C@@H]1Cc1c2ccccc2sc1C(=O)NCCO ZINC000072370627 211102002 /nfs/dbraw/zinc/10/20/02/211102002.db2.gz MXYCVQJJKIINEH-QGZVFWFLSA-N 1 0 388.577 4.067 40 0 GIABRO Cc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@H+](Cc4ccncc4C)C3)cc2n1 ZINC000072397146 211112430 /nfs/dbraw/zinc/11/24/30/211112430.db2.gz WKOGRIRKJPVJOI-INIZCTEOSA-N 1 0 389.425 4.140 40 0 GIABRO COc1cccc([C@H]2CCCN2C(=O)CC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000072392084 211110890 /nfs/dbraw/zinc/11/08/90/211110890.db2.gz NOPVBAXHCJWNRK-HSZRJFAPSA-N 1 0 393.531 4.056 40 0 GIABRO COc1ccc([C@@H]2C[N@H+](Cc3ccc(OC)c(C)c3C)C[C@H]2c2cc[nH]n2)cc1 ZINC000072395167 211110168 /nfs/dbraw/zinc/11/01/68/211110168.db2.gz ALILCQPQLWTVDL-FCHUYYIVSA-N 1 0 391.515 4.427 40 0 GIABRO Cc1cnc(Nc2cc(C[C@H]3CCC[N@H+](Cc4cccnc4)C3)nc(C)n2)s1 ZINC000072383469 211108495 /nfs/dbraw/zinc/10/84/95/211108495.db2.gz JKJCJYLLHJWECH-QGZVFWFLSA-N 1 0 394.548 4.143 40 0 GIABRO CCn1ncc(C[N@@H+]2CCC[C@@H](c3cccc(Nc4ncccc4C)n3)C2)c1C ZINC000072376056 211106593 /nfs/dbraw/zinc/10/65/93/211106593.db2.gz OVBWOZOZSGZAGS-LJQANCHMSA-N 1 0 390.535 4.433 40 0 GIABRO Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCC[N@@H+]2Cc2ccncc2)n1 ZINC000072354660 211098685 /nfs/dbraw/zinc/09/86/85/211098685.db2.gz YRSCOIJVBFBCDP-SFHVURJKSA-N 1 0 399.420 4.477 40 0 GIABRO O=C(NC1CCCCC1)c1cc([C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)no1 ZINC000072351299 211097653 /nfs/dbraw/zinc/09/76/53/211097653.db2.gz HLQONTWBZHGQLR-KRWDZBQOSA-N 1 0 385.483 4.256 40 0 GIABRO COc1ccc(CC[N@@H+]2CC[C@@H](c3c4ccccc4sc3C(N)=O)C2)cc1 ZINC000072352213 211097499 /nfs/dbraw/zinc/09/74/99/211097499.db2.gz RIAPUAYIJQXRRT-MRXNPFEDSA-N 1 0 380.513 4.041 40 0 GIABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3ccc(Nc4ncccc4C)cn3)C2)cn1 ZINC000072353379 211097386 /nfs/dbraw/zinc/09/73/86/211097386.db2.gz JNBDGUIGMPNOLP-LJQANCHMSA-N 1 0 376.508 4.125 40 0 GIABRO CC(C)c1nccn1-c1nccnc1[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072350546 211096733 /nfs/dbraw/zinc/09/67/33/211096733.db2.gz BBCSDRMLUBUTCC-HXUWFJFHSA-N 1 0 375.520 4.208 40 0 GIABRO CCn1cc(C[N@@H+]2CCC[C@H](c3ccc(Nc4ncccc4C)cn3)C2)cn1 ZINC000072353378 211096285 /nfs/dbraw/zinc/09/62/85/211096285.db2.gz JNBDGUIGMPNOLP-IBGZPJMESA-N 1 0 376.508 4.125 40 0 GIABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)CC(C)C)c3ccccn3)C2)c1 ZINC000072330384 211092290 /nfs/dbraw/zinc/09/22/90/211092290.db2.gz ZKHZGQPOXIOMLL-RDPSFJRHSA-N 1 0 395.547 4.206 40 0 GIABRO Cc1cc(C)cc(CSCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000044857207 210815005 /nfs/dbraw/zinc/81/50/05/210815005.db2.gz QOJOVNAKPRCUOY-UHFFFAOYSA-N 1 0 382.573 4.449 40 0 GIABRO CCOC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000038834615 210758929 /nfs/dbraw/zinc/75/89/29/210758929.db2.gz MNENILMLGWFGIN-UHFFFAOYSA-N 1 0 380.488 4.348 40 0 GIABRO CCOC(=O)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000020452242 210335747 /nfs/dbraw/zinc/33/57/47/210335747.db2.gz AIQQEKKEJKLENT-KRWDZBQOSA-N 1 0 380.488 4.348 40 0 GIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)cc2)C1 ZINC000020044751 210314135 /nfs/dbraw/zinc/31/41/35/210314135.db2.gz YZQXOQXIRVXFGD-GOSISDBHSA-N 1 0 391.515 4.298 40 0 GIABRO CC[C@@H](c1ccc(F)cc1)N(C)C(=O)CC1CC[NH+](Cc2ccccn2)CC1 ZINC000019748271 210290922 /nfs/dbraw/zinc/29/09/22/210290922.db2.gz XEWZKJKZCBSDOV-QFIPXVFZSA-N 1 0 383.511 4.433 40 0 GIABRO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](Cc2cccnc2N(C)C)C1 ZINC000019715729 210287283 /nfs/dbraw/zinc/28/72/83/210287283.db2.gz KIHWBYBKYBMJGD-IBGZPJMESA-N 1 0 377.536 4.458 40 0 GIABRO COc1cccc(Cc2cc(C)nc(C3CC[NH+](Cc4cnn(C)c4)CC3)c2)c1 ZINC000019691594 210281827 /nfs/dbraw/zinc/28/18/27/210281827.db2.gz YXNGGIUFLBGENQ-UHFFFAOYSA-N 1 0 390.531 4.103 40 0 GIABRO Cc1nn(C)cc1C[N@@H+]1CCC[C@H]1c1cc(Cc2cccc(F)c2)cc(C)n1 ZINC000019690873 210281006 /nfs/dbraw/zinc/28/10/06/210281006.db2.gz IFLITPOTSFYUEE-QHCPKHFHSA-N 1 0 378.495 4.499 40 0 GIABRO C[N@@H+]1CCc2nc([C@@H]3CCCCN3Cc3cccc(Cl)c3Cl)ncc2C1 ZINC000019590342 210272932 /nfs/dbraw/zinc/27/29/32/210272932.db2.gz TWDMIXIZQZHZPH-SFHVURJKSA-N 1 0 391.346 4.499 40 0 GIABRO C[C@H](O)C[N@H+](Cc1ccc(-c2ccccc2)cc1)Cc1ccc2c(c1)OCO2 ZINC000012185649 221164318 /nfs/dbraw/zinc/16/43/18/221164318.db2.gz KVHANYNAKMMDJV-SFHVURJKSA-N 1 0 375.468 4.465 40 0 GIABRO CC[C@H](C)Nc1cc(N2CCc3cc(Br)ccc3C2)nc(C)[nH+]1 ZINC000328965298 529183554 /nfs/dbraw/zinc/18/35/54/529183554.db2.gz CCVHURJPEWZPAI-LBPRGKRZSA-N 1 0 375.314 4.321 40 0 GIABRO C[C@@]1(O)CC[N@H+](CC2CCCCC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000514290074 560031074 /nfs/dbraw/zinc/03/10/74/560031074.db2.gz XWBDYCNQUOBUKC-SONWIMMPSA-N 1 0 398.591 4.440 40 0 biogenic,in-vitro GIABRO C[C@@]1(O)CC[N@H+](Cc2cccs2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000514289864 560031143 /nfs/dbraw/zinc/03/11/43/560031143.db2.gz KWJUAZKCBOYZIZ-QNWVGRARSA-N 1 0 398.572 4.121 40 0 biogenic,in-vitro GIABRO C[C@@]1(O)CC[N@H+](CC2CCCC2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 ZINC000514288709 560034042 /nfs/dbraw/zinc/03/40/42/560034042.db2.gz AOBRGGWQZMQHIB-JAXLGGSGSA-N 1 0 390.593 4.111 40 0 biogenic,in-vitro GIABRO COc1ccc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(-c5cccs5)c43)C2)cc1 ZINC000005433827 560202033 /nfs/dbraw/zinc/20/20/33/560202033.db2.gz GLVKJIKFFXVOJU-ZWKOTPCHSA-N 1 0 392.524 4.205 40 0 biogenic,in-vitro GIABRO Clc1ccc2ncc(-c3cccc(C[C@H]4CCC5(CC[NH2+]CC5)CO4)n3)n2c1 ZINC000585263265 570231527 /nfs/dbraw/zinc/23/15/27/570231527.db2.gz UBYCUPIJVSXVOU-GOSISDBHSA-N 1 0 396.922 4.141 40 0 GIABRO CC(=O)N1CCC[C@@]2(C)[C@@H]1CCCC[N@@H+]2C[C@@]1(O)CC[C@H](c2ccccc2)CC1 ZINC000585283988 570252194 /nfs/dbraw/zinc/25/21/94/570252194.db2.gz QGWXNPPXVZAXQF-OJJQZRKESA-N 1 0 398.591 4.331 40 0 GIABRO CC(=O)N1CC[C@H]([NH2+]CCc2ccc(Cl)cc2)[C@H](Cc2ccc(F)cc2)C1 ZINC000585284658 570253857 /nfs/dbraw/zinc/25/38/57/570253857.db2.gz GSEYECAYLCRRHS-KNQAVFIVSA-N 1 0 388.914 4.091 40 0 GIABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216481 570317524 /nfs/dbraw/zinc/31/75/24/570317524.db2.gz UFAMEDMPFIVVNN-IBGZPJMESA-N 1 0 388.556 4.076 40 0 GIABRO COc1ccc(C[N@@H+]2CCC[C@H](c3cncc(-c4ccc(CO)cc4)n3)C2)cc1 ZINC000072359293 570339943 /nfs/dbraw/zinc/33/99/43/570339943.db2.gz KDBCUGBDQPDWBA-NRFANRHFSA-N 1 0 389.499 4.024 40 0 GIABRO OCc1ccc(-c2cncc([C@@H]3CCC[N@H+](CCCc4ccccc4)C3)n2)cc1 ZINC000072359622 570339973 /nfs/dbraw/zinc/33/99/73/570339973.db2.gz CZEBYURZKZCNHI-HSZRJFAPSA-N 1 0 387.527 4.448 40 0 GIABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cccnc1)Cc1ccc(OC)c(OC(C)C)c1 ZINC000022931887 570379765 /nfs/dbraw/zinc/37/97/65/570379765.db2.gz BLGBPAVHTWPNKY-QFIPXVFZSA-N 1 0 397.563 4.364 40 0 GIABRO C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000024182126 570380062 /nfs/dbraw/zinc/38/00/62/570380062.db2.gz GZVPYAXDXQSLEC-QGZVFWFLSA-N 1 0 386.923 4.410 40 0 GIABRO CCOc1ccccc1NC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(C)C ZINC000004856961 570412681 /nfs/dbraw/zinc/41/26/81/570412681.db2.gz CXCNLTYBKMCRSJ-AYHJJNSGSA-N 1 0 375.582 4.413 40 0 GIABRO CCC(=O)O[C@]1(c2ccccc2)CC[N@H+](CC[C@H](O)c2ccccc2)C[C@@H]1C ZINC000005046329 570425796 /nfs/dbraw/zinc/42/57/96/570425796.db2.gz SBMJPZHWBMSWKU-NGYIFUPDSA-N 1 0 381.516 4.301 40 0 GIABRO O=C(NCCSCc1ccco1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039763862 570446172 /nfs/dbraw/zinc/44/61/72/570446172.db2.gz DHLLBRCKJGCDCA-UHFFFAOYSA-N 1 0 392.952 4.195 40 0 GIABRO CC(=O)Nc1ccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000039757767 570449024 /nfs/dbraw/zinc/44/90/24/570449024.db2.gz BITWDAZMNLDSLS-UHFFFAOYSA-N 1 0 385.895 4.149 40 0 GIABRO COc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)c2ccccc2F)C3)cc1 ZINC000035289830 570455350 /nfs/dbraw/zinc/45/53/50/570455350.db2.gz XMHFJSZNDGBRAG-YQQQUEKLSA-N 1 0 382.479 4.150 40 0 GIABRO O=C(NCCSC1CCCC1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000223285679 570456259 /nfs/dbraw/zinc/45/62/59/570456259.db2.gz QNSUCOWCVKUQCA-UHFFFAOYSA-N 1 0 380.985 4.344 40 0 GIABRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(C)cc1 ZINC000028296091 570457653 /nfs/dbraw/zinc/45/76/53/570457653.db2.gz PLMKJTCJHREUTN-NRFANRHFSA-N 1 0 377.488 4.463 40 0 GIABRO COc1ccccc1C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1CCCCC1)C2 ZINC000035290511 570457971 /nfs/dbraw/zinc/45/79/71/570457971.db2.gz CFXQFUVMHZFLRW-SEJPIABJSA-N 1 0 385.552 4.213 40 0 GIABRO O=C(NCC1(c2ccccc2)CCOCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000223330986 570459060 /nfs/dbraw/zinc/45/90/60/570459060.db2.gz KBXTXNWVVYWUCH-UHFFFAOYSA-N 1 0 392.543 4.151 40 0 GIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccccc3-n3ccnc3)cc2)C1 ZINC000030860471 570499227 /nfs/dbraw/zinc/49/92/27/570499227.db2.gz XHEJWBKZMRJKJL-LJQANCHMSA-N 1 0 388.515 4.034 40 0 GIABRO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cc[nH+]cc2)N1c1ccccc1 ZINC000224156572 570501134 /nfs/dbraw/zinc/50/11/34/570501134.db2.gz MEBBFNUFVFVTDQ-FCHUYYIVSA-N 1 0 397.507 4.444 40 0 GIABRO Cc1ccc(OCCNC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c(C)c1 ZINC000224334491 570509631 /nfs/dbraw/zinc/50/96/31/570509631.db2.gz VJILAFUNZRSPPA-LJQANCHMSA-N 1 0 380.532 4.344 40 0 GIABRO CCc1ccc(O[C@@H](CC)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000224515385 570515973 /nfs/dbraw/zinc/51/59/73/570515973.db2.gz BMZDQAAJBIVTET-QHCPKHFHSA-N 1 0 380.532 4.319 40 0 GIABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1Br ZINC000224647780 570522473 /nfs/dbraw/zinc/52/24/73/570522473.db2.gz NVEWGFOULWKOAW-UHFFFAOYSA-N 1 0 387.321 4.365 40 0 GIABRO CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224682924 570524535 /nfs/dbraw/zinc/52/45/35/570524535.db2.gz UNYGXQPJOGIDHK-QFIPXVFZSA-N 1 0 384.495 4.285 40 0 GIABRO O=C(CSCc1ccccc1F)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224695794 570525360 /nfs/dbraw/zinc/52/53/60/570525360.db2.gz RAGYGHRGTZDUKA-UHFFFAOYSA-N 1 0 386.536 4.361 40 0 GIABRO CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224800712 570531289 /nfs/dbraw/zinc/53/12/89/570531289.db2.gz FIBLDXGYTYAREH-QFIPXVFZSA-N 1 0 380.532 4.373 40 0 GIABRO CCCC[C@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225618948 570594835 /nfs/dbraw/zinc/59/48/35/570594835.db2.gz GNTBARDQRCIOOE-QFIPXVFZSA-N 1 0 376.541 4.475 40 0 GIABRO CO[C@]1(C(=O)Nc2ccc(OCC[NH+]3CCCCCC3)cc2)CCC[C@H](C)C1 ZINC000225635856 570597028 /nfs/dbraw/zinc/59/70/28/570597028.db2.gz DFDOHNHZJXGLHW-WMZHIEFXSA-N 1 0 388.552 4.475 40 0 GIABRO CCO[C@]1(C(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)CCC[C@@H](C)C1 ZINC000225714593 570607545 /nfs/dbraw/zinc/60/75/45/570607545.db2.gz YWINJQFPQLDMKL-XMSQKQJNSA-N 1 0 376.541 4.331 40 0 GIABRO Cc1cc(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1Br ZINC000225728216 570609547 /nfs/dbraw/zinc/60/95/47/570609547.db2.gz JXHQWLOOAUFRCS-ZIAGYGMSSA-N 1 0 398.414 4.412 40 0 GIABRO CCCO[C@](C)(CC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225730444 570610228 /nfs/dbraw/zinc/61/02/28/570610228.db2.gz JKMRKYSZZNCFFN-PGRDOPGGSA-N 1 0 376.541 4.474 40 0 GIABRO C[NH+]1CCC(Oc2ccc(CNC(=S)Nc3ccc(Cl)cc3)cc2)CC1 ZINC000225772022 570615750 /nfs/dbraw/zinc/61/57/50/570615750.db2.gz WHUHTJFSGQGVJU-UHFFFAOYSA-N 1 0 389.952 4.300 40 0 GIABRO COc1ccccc1C[N@H+](CCCn1ccnc1)Cc1ccc2c(c1)C[C@H](C)O2 ZINC000043277822 570627007 /nfs/dbraw/zinc/62/70/07/570627007.db2.gz UQXVTKPQHHVNRA-IBGZPJMESA-N 1 0 391.515 4.308 40 0 GIABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2cccn2-c2ncccc2C)o1 ZINC000043277763 570627198 /nfs/dbraw/zinc/62/71/98/570627198.db2.gz GUQDFIBEHJRYSY-UHFFFAOYSA-N 1 0 389.503 4.371 40 0 GIABRO COc1ccc(C2(O)CC[NH+](C[C@H](O)c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000012292354 570633266 /nfs/dbraw/zinc/63/32/66/570633266.db2.gz MFSFZMCGJIGCCP-IBGZPJMESA-N 1 0 396.314 4.019 40 0 GIABRO Cc1cc2c(cc1Cl)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccccc3)CC1)O2 ZINC000012293349 570633802 /nfs/dbraw/zinc/63/38/02/570633802.db2.gz GKHFHKBFACPTQC-UXHICEINSA-N 1 0 387.907 4.033 40 0 GIABRO CC1CC[NH+](CC(C)(C)CN2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)CC1 ZINC000012293147 570633868 /nfs/dbraw/zinc/63/38/68/570633868.db2.gz YWWMOTARMYVPMU-VXMMSVGHSA-N 1 0 388.571 4.398 40 0 GIABRO CCc1ccccc1O[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875268 570637590 /nfs/dbraw/zinc/63/75/90/570637590.db2.gz LVYHODHNTARQEQ-IBGZPJMESA-N 1 0 380.532 4.319 40 0 GIABRO CCOC(=O)c1ccc(C)c(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)c1 ZINC000044911873 570642508 /nfs/dbraw/zinc/64/25/08/570642508.db2.gz AGPBRFIWSYWYHG-UHFFFAOYSA-N 1 0 394.515 4.331 40 0 GIABRO C[C@H](NC(=O)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1)c1ccccc1 ZINC000058175156 570647743 /nfs/dbraw/zinc/64/77/43/570647743.db2.gz UVYSFXAOOHDYSX-NRFANRHFSA-N 1 0 399.538 4.500 40 0 GIABRO Cc1cccc(-c2cc3nc4c(c(NCC(C)(C)C[NH+](C)C)n3n2)CCC4)c1 ZINC000004980258 570655844 /nfs/dbraw/zinc/65/58/44/570655844.db2.gz XRIYJJJJGFHBFG-UHFFFAOYSA-N 1 0 377.536 4.193 40 0 GIABRO CSc1ccc(/C=C/C(=O)NCC2CCN(c3cc[nH+]c(C)c3)CC2)cc1 ZINC000245053419 570698756 /nfs/dbraw/zinc/69/87/56/570698756.db2.gz OTQYRIJBEOQGFS-UHFFFAOYSA-N 1 0 381.545 4.158 40 0 GIABRO CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000260814523 570707660 /nfs/dbraw/zinc/70/76/60/570707660.db2.gz KGBOAEKYMOGINX-SFYKDHMMSA-N 1 0 390.568 4.433 40 0 GIABRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1Br ZINC000004398986 570727597 /nfs/dbraw/zinc/72/75/97/570727597.db2.gz GLMCDAQNMFUABE-AYHJJNSGSA-N 1 0 399.332 4.375 40 0 GIABRO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]Cc2cccc(Br)c2)C1 ZINC000089212685 570747832 /nfs/dbraw/zinc/74/78/32/570747832.db2.gz YUSYSDWSIRTGEE-OAHLLOKOSA-N 1 0 383.330 4.186 40 0 GIABRO CC(C)(C)OC(=O)N1CCC(C[NH2+]Cc2ccccc2Br)CC1 ZINC000089212581 570747801 /nfs/dbraw/zinc/74/78/01/570747801.db2.gz VBXJXDOWEFFOQR-UHFFFAOYSA-N 1 0 383.330 4.186 40 0 GIABRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CCc2ccccc2Br)C1 ZINC000089212699 570747912 /nfs/dbraw/zinc/74/79/12/570747912.db2.gz JATAKBOVCWQGEM-HNNXBMFYSA-N 1 0 397.357 4.228 40 0 GIABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)cc1 ZINC000006629898 570748048 /nfs/dbraw/zinc/74/80/48/570748048.db2.gz SJTVYECKKVECTL-UHFFFAOYSA-N 1 0 399.560 4.442 40 0 GIABRO COc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000009062687 570773894 /nfs/dbraw/zinc/77/38/94/570773894.db2.gz SIXHROXHGFEUCU-INIZCTEOSA-N 1 0 386.923 4.438 40 0 GIABRO COc1ccc(CC[N@H+](Cc2ccncc2)Cc2cccc(C)n2)cc1OC ZINC000013989528 570868429 /nfs/dbraw/zinc/86/84/29/570868429.db2.gz RYWYNLUHQYXVJD-UHFFFAOYSA-N 1 0 377.488 4.047 40 0 GIABRO O=C(c1ccc(O)cc1)N1CCC[C@@]2(CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100336 570923832 /nfs/dbraw/zinc/92/38/32/570923832.db2.gz DHOHXGKQAOIWNR-HSZRJFAPSA-N 1 0 382.479 4.192 40 0 GIABRO Cc1ccc(C)c(C[N@H+]2CCOC[C@]3(CC(=O)N([C@H](C)c4ccccc4)C3)C2)c1 ZINC000585104797 570933705 /nfs/dbraw/zinc/93/37/05/570933705.db2.gz UCTLJIUXJAMCEK-PXDATVDWSA-N 1 0 392.543 4.116 40 0 GIABRO O=C(c1ccc(Cl)cc1Cl)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000238892024 570981350 /nfs/dbraw/zinc/98/13/50/570981350.db2.gz QRTSJJFFMXTVQL-QGZVFWFLSA-N 1 0 375.299 4.266 40 0 GIABRO Cc1cc(C)cc(C2(C(=O)N[C@@H](C)CC[NH+]3CCCCCC3)CCOCC2)c1 ZINC000019717577 571040029 /nfs/dbraw/zinc/04/00/29/571040029.db2.gz CZUNDFIMPRCCNG-NRFANRHFSA-N 1 0 386.580 4.122 40 0 GIABRO Cc1cccc(CNc2n[nH]c3nc([C@@H]4CC[N@H+](CC(C)(C)C)C4)ccc23)n1 ZINC000019705000 818601475 /nfs/dbraw/zinc/60/14/75/818601475.db2.gz KCHJMTBLYVYIDT-MRXNPFEDSA-N 1 0 378.524 4.109 40 0 GIABRO CCc1ccc(N2C[C@@](O)(c3ccc(OC)cc3F)[N+]3=C2CCCCC3)cc1 ZINC000022408590 818802478 /nfs/dbraw/zinc/80/24/78/818802478.db2.gz ITUZFHUTFLQFRC-HSZRJFAPSA-N 1 0 383.487 4.047 40 0 GIABRO COc1ccc([C@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1OC ZINC000036107350 821069117 /nfs/dbraw/zinc/06/91/17/821069117.db2.gz VYWLKICTLZXXAX-ROUUACIJSA-N 1 0 396.531 4.427 40 0 GIABRO CC(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2oc3ccccc3c2C)CC1 ZINC000019566348 210264968 /nfs/dbraw/zinc/26/49/68/210264968.db2.gz DNRWUMGVZDYJPD-HSZRJFAPSA-N 1 0 377.488 4.226 40 0 GIABRO Cc1nc(-c2cccnc2)sc1C(=O)N1CCCC[C@@H]1C[NH+]1CCCCCC1 ZINC000019561083 210263657 /nfs/dbraw/zinc/26/36/57/210263657.db2.gz PFCJEUUINFJEST-LJQANCHMSA-N 1 0 398.576 4.384 40 0 GIABRO Cc1nc(C)c(C(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCC[N@H+]3C)s1 ZINC000019560152 210263400 /nfs/dbraw/zinc/26/34/00/210263400.db2.gz AMRTVMQMJRQYME-VAMGGRTRSA-N 1 0 383.561 4.243 40 0 GIABRO Cc1ncsc1-c1nnc([C@H]2CCC[N@H+](Cc3ccc4ccccc4n3)C2)o1 ZINC000019562792 210263288 /nfs/dbraw/zinc/26/32/88/210263288.db2.gz WQYFEXMOGTXLQR-INIZCTEOSA-N 1 0 391.500 4.429 40 0 GIABRO CC1CCN(C(=O)c2cc([C@@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)no2)CC1 ZINC000019496740 210252426 /nfs/dbraw/zinc/25/24/26/210252426.db2.gz UPYGTYDIXRLNSO-GOSISDBHSA-N 1 0 385.483 4.065 40 0 GIABRO CC(C)c1cc(C(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CC[N@@H+]3C)on1 ZINC000019452932 210250286 /nfs/dbraw/zinc/25/02/86/210250286.db2.gz PJMUIHXAVIWOPK-SYYKKAFVSA-N 1 0 381.520 4.281 40 0 GIABRO COc1cccc(C[NH+]2CCC([C@@H](NC(=O)CC(C)C)c3ccccn3)CC2)c1 ZINC000019446692 210248558 /nfs/dbraw/zinc/24/85/58/210248558.db2.gz ZNYUIXOYHNTDNP-XMMPIXPASA-N 1 0 395.547 4.206 40 0 GIABRO Clc1ccc(C[N@@H+]2CC[C@H](c3nc(-c4cccnc4)no3)C2)cc1Cl ZINC000019340969 210241231 /nfs/dbraw/zinc/24/12/31/210241231.db2.gz CTWCILJRZNUKLQ-AWEZNQCLSA-N 1 0 375.259 4.428 40 0 GIABRO Cc1ccsc1C[N@H+](CCCN1CCOCC1)Cc1cccc(F)c1F ZINC000019238581 210236340 /nfs/dbraw/zinc/23/63/40/210236340.db2.gz LPORQEYGYPXPJM-UHFFFAOYSA-N 1 0 380.504 4.059 40 0 GIABRO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 ZINC000019014403 210222593 /nfs/dbraw/zinc/22/25/93/210222593.db2.gz BDBIMRNMQQDODP-KTDXHOJISA-N 1 0 387.478 4.084 40 0 GIABRO CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000013669286 210075368 /nfs/dbraw/zinc/07/53/68/210075368.db2.gz AULLWWYCEYAAPI-UHFFFAOYSA-N 1 0 380.488 4.410 40 0 GIABRO Cc1nccc(-c2ccc(-c3noc(C[NH2+][C@H](C)CCc4ccco4)n3)cc2)n1 ZINC000012337074 209943106 /nfs/dbraw/zinc/94/31/06/209943106.db2.gz 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396.510 4.003 40 0 GIABRO Cc1c[nH]c(-c2cc([C@@H]3CCC[N@H+](Cc4cc(F)cc(F)c4)C3)nc(C)n2)n1 ZINC000257244367 212010951 /nfs/dbraw/zinc/01/09/51/212010951.db2.gz IKZLYSOIJWVTHY-MRXNPFEDSA-N 1 0 383.446 4.141 40 0 GIABRO CC[NH+](CC)Cc1cc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCCC[C@H]3O2)ccc1OC ZINC000257230450 212007563 /nfs/dbraw/zinc/00/75/63/212007563.db2.gz GCKQMCYDGAKJJH-KKSHJYNMSA-N 1 0 388.552 4.062 40 0 GIABRO Cc1cccnc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+][C@@H]2Cc1ccccc1 ZINC000257210022 212004148 /nfs/dbraw/zinc/00/41/48/212004148.db2.gz BSUQCFRBPSWPFH-YLYPHGCXSA-N 1 0 389.543 4.137 40 0 GIABRO CC(C)Nc1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(C(C)C)[nH+]1 ZINC000329004849 209155708 /nfs/dbraw/zinc/15/57/08/209155708.db2.gz KVEFZAWDNJBZDS-UHFFFAOYSA-N 1 0 394.441 4.304 40 0 GIABRO CCOc1cccc(NC(=S)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000225773098 211925857 /nfs/dbraw/zinc/92/58/57/211925857.db2.gz DMXFCRRNFWXYSF-UHFFFAOYSA-N 1 0 399.560 4.045 40 0 GIABRO COC1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCC(C)CC1 ZINC000225640421 211913220 /nfs/dbraw/zinc/91/32/20/211913220.db2.gz PCLTUTSTDSKXKE-FVRICEFQSA-N 1 0 388.552 4.331 40 0 GIABRO Cc1cccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000224532604 211866222 /nfs/dbraw/zinc/86/62/22/211866222.db2.gz AKZJAOBFPLWZQE-UHFFFAOYSA-N 1 0 386.923 4.056 40 0 GIABRO CC(C)n1nc2c(c1-c1ccc(F)cc1)[C@H]1C[N@@H+](Cc3ccccn3)C[C@H]1C2 ZINC000096263837 211325968 /nfs/dbraw/zinc/32/59/68/211325968.db2.gz BWDDUIGMECTDJF-XLIONFOSSA-N 1 0 376.479 4.437 40 0 GIABRO Cn1cnc2c1cc(C1CC[NH+](Cc3cccs3)CC1)nc2-c1cccnc1 ZINC000096099941 211302875 /nfs/dbraw/zinc/30/28/75/211302875.db2.gz MMOFLXCZAIMZHC-UHFFFAOYSA-N 1 0 389.528 4.471 40 0 GIABRO CN(C)C(=O)C[C@H]1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)Oc2ccccc21 ZINC000096053158 211298062 /nfs/dbraw/zinc/29/80/62/211298062.db2.gz VKWXSOLYATXNCQ-IBGZPJMESA-N 1 0 396.506 4.205 40 0 GIABRO COc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3Cc3cccc(F)c3)CC2)cc1 ZINC000096047555 211297200 /nfs/dbraw/zinc/29/72/00/211297200.db2.gz AQZMXTOWEQYTGF-DEOSSOPVSA-N 1 0 396.506 4.382 40 0 GIABRO O=C1N(Cc2ccccc2)c2ccccc2C12CC[NH+](Cc1ccncc1)CC2 ZINC000096052536 211296832 /nfs/dbraw/zinc/29/68/32/211296832.db2.gz ZMMGLALQRKXMLS-UHFFFAOYSA-N 1 0 383.495 4.162 40 0 GIABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccco3)CC2)c2ccccc21)NC1CCC1 ZINC000096052739 211296157 /nfs/dbraw/zinc/29/61/57/211296157.db2.gz KSAWVFJFLNCKQG-GOSISDBHSA-N 1 0 378.516 4.360 40 0 GIABRO COc1ccc(C[NH+]2CCC3(CCN(C(=O)c4cccs4)CC3)CC2)cc1 ZINC000096047299 211295786 /nfs/dbraw/zinc/29/57/86/211295786.db2.gz YPUSBKXUIBAKNU-UHFFFAOYSA-N 1 0 384.545 4.275 40 0 GIABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(Nc4ccccn4)n3)C2)cc1 ZINC000072377433 211104552 /nfs/dbraw/zinc/10/45/52/211104552.db2.gz FDVBGLOOTUJZKR-GOSISDBHSA-N 1 0 375.476 4.003 40 0 GIABRO CCn1ccnc1C[N@@H+]1CCC[C@@H](c2cccc(-c3cccc(OC)c3)n2)C1 ZINC000072350280 211096418 /nfs/dbraw/zinc/09/64/18/211096418.db2.gz KYIAYFCABUXDPE-LJQANCHMSA-N 1 0 376.504 4.353 40 0 GIABRO COc1ccc(CC[NH2+]C[C@H](c2ccc(OC)cc2)C2(O)CCCCC2)cc1 ZINC000065740220 211000685 /nfs/dbraw/zinc/00/06/85/211000685.db2.gz LZUSDEPYNTZFJD-HSZRJFAPSA-N 1 0 383.532 4.315 40 0 in-vitro GIABRO CC(C)(C)OC(=O)N1CCC(C[NH2+]CCc2ccccc2Br)CC1 ZINC000089212588 210934159 /nfs/dbraw/zinc/93/41/59/210934159.db2.gz YKVZTAJDBNJJAP-UHFFFAOYSA-N 1 0 397.357 4.228 40 0 GIABRO Cc1ccc(C[NH+]2CCC(C(=O)N[C@@H](C)COc3ccc(C)cc3)CC2)cc1 ZINC000044852859 210814256 /nfs/dbraw/zinc/81/42/56/210814256.db2.gz MCTOMHDNJBEIPG-FQEVSTJZSA-N 1 0 380.532 4.099 40 0 GIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)C1 ZINC000019933288 210309337 /nfs/dbraw/zinc/30/93/37/210309337.db2.gz HHFBZNQFCWSMTF-LJQANCHMSA-N 1 0 395.522 4.020 40 0 GIABRO COc1ccccc1CNc1n[nH]c2nc([C@@H]3CCC[N@H+](CC(C)C)C3)ccc12 ZINC000019742733 210291980 /nfs/dbraw/zinc/29/19/80/210291980.db2.gz MJANREYDKZXCGW-GOSISDBHSA-N 1 0 393.535 4.414 40 0 GIABRO Cc1nc(C2CC[NH+](Cc3ccccc3)CC2)nc2c1CCC(=O)N2CC(C)C ZINC000019703789 210284648 /nfs/dbraw/zinc/28/46/48/210284648.db2.gz VWYNFCJUBQBHHV-UHFFFAOYSA-N 1 0 392.547 4.100 40 0 GIABRO CNc1cc([C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)nc(-c2ccncc2)n1 ZINC000019592276 210275440 /nfs/dbraw/zinc/27/54/40/210275440.db2.gz IIPIEJSCWAXUFM-GOSISDBHSA-N 1 0 377.467 4.099 40 0 GIABRO CNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCC[N@H+](Cc2ccccn2)C1 ZINC000019591318 210272976 /nfs/dbraw/zinc/27/29/76/210272976.db2.gz OLAIVQSHVPMANF-AREMUKBSSA-N 1 0 399.538 4.320 40 0 GIABRO Cc1nc([C@H]2CCC[N@@H+]2C2CCCC2)nc2c1CCCN2Cc1ccccn1 ZINC000072373793 136168947 /nfs/dbraw/zinc/16/89/47/136168947.db2.gz CRSFJHTWOOKBLL-OAQYLSRUSA-N 1 0 377.536 4.212 40 0 GIABRO CC(C)[C@H]([NH2+]Cc1cccc(F)c1)c1cc(=O)n2nc(-c3ccccn3)cc2[nH]1 ZINC000100744460 519821190 /nfs/dbraw/zinc/82/11/90/519821190.db2.gz JDLUILSFDBTEGZ-QFIPXVFZSA-N 1 0 391.450 4.123 40 0 GIABRO C=C1[NH+]=C(SC(C)C)N[C@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000408988604 528617241 /nfs/dbraw/zinc/61/72/41/528617241.db2.gz IMPMOLXNKAUAKT-OAHLLOKOSA-N 1 0 397.338 4.428 40 0 GIABRO CCCc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](C[NH+]3CCC(CO)CC3)C=C2C)o1 ZINC000035442698 560079569 /nfs/dbraw/zinc/07/95/69/560079569.db2.gz DMVPGXOGNGSCGU-ACRUOGEOSA-N 1 0 389.584 4.124 40 0 biogenic,in-vitro GIABRO c1cc(OC2CCCCC2)ncc1-c1noc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000035425524 560080680 /nfs/dbraw/zinc/08/06/80/560080680.db2.gz SKHIRCMNTCVOEX-IBGZPJMESA-N 1 0 398.507 4.159 40 0 biogenic,in-vitro GIABRO Cc1nc(-c2ccco2)cc([C@H]2CN3CC[C@H]2C[C@@H]3C[NH2+]CC2CCCCC2)n1 ZINC000035415865 560081379 /nfs/dbraw/zinc/08/13/79/560081379.db2.gz XOWIMIJGEPYLRI-HBMCJLEFSA-N 1 0 394.563 4.393 40 0 biogenic,in-vitro GIABRO CC(C)c1nc(N2CCc3cc(Cl)ccc3C2)cc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000329021740 570213510 /nfs/dbraw/zinc/21/35/10/570213510.db2.gz OIJJKCLGKXLFOX-SFHVURJKSA-N 1 0 388.943 4.245 40 0 GIABRO CC(C)[N@@H+]1CCC[C@@H](c2cnc(Nc3ncc(-c4ccccc4)s3)cn2)C1 ZINC000585263143 570231560 /nfs/dbraw/zinc/23/15/60/570231560.db2.gz OMIVFWZLQDRMJX-QGZVFWFLSA-N 1 0 379.533 4.353 40 0 GIABRO Fc1cccc(NC(=S)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c1 ZINC000208871839 570263044 /nfs/dbraw/zinc/26/30/44/570263044.db2.gz SFZKSMYOHLQJPL-XWDORNJCSA-N 1 0 385.552 4.418 40 0 GIABRO CC(C)[N@@H+]1CCCC[C@@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216422 570317485 /nfs/dbraw/zinc/31/74/85/570317485.db2.gz ZCPDBUUOPXYSJH-LJQANCHMSA-N 1 0 388.556 4.074 40 0 GIABRO CC1CC[NH+](Cc2ccc(C(=O)NCCCN(C)c3ccccc3)cc2)CC1 ZINC000219237215 570349956 /nfs/dbraw/zinc/34/99/56/570349956.db2.gz IDVOFHDKKMZKFS-UHFFFAOYSA-N 1 0 379.548 4.175 40 0 GIABRO C[C@H](CCCCC(=O)Nc1ccc(C(F)(F)F)cc1)[NH2+]CCc1c[nH]cn1 ZINC000003995455 570353818 /nfs/dbraw/zinc/35/38/18/570353818.db2.gz PMKJGGBYYNEYPA-CQSZACIVSA-N 1 0 382.430 4.148 40 0 investigational GIABRO CCCC[C@@H](c1nnnn1C(C)(C)C)N1CCN(c2cccc(C)c2C)CC1 ZINC000057669734 570367127 /nfs/dbraw/zinc/36/71/27/570367127.db2.gz MCTOHFHZXFENAJ-FQEVSTJZSA-N 1 0 384.572 4.098 40 0 GIABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cccnc1)Cc1ccc(OC)c(OC(C)C)c1 ZINC000022931886 570379951 /nfs/dbraw/zinc/37/99/51/570379951.db2.gz BLGBPAVHTWPNKY-JOCHJYFZSA-N 1 0 397.563 4.364 40 0 GIABRO O=C(CSCc1ccccc1Cl)NCc1ccccc1C[NH+]1CCCC1 ZINC000024190096 570380387 /nfs/dbraw/zinc/38/03/87/570380387.db2.gz GHPLHGYQLAYECZ-UHFFFAOYSA-N 1 0 388.964 4.485 40 0 GIABRO CN(CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccccc1 ZINC000222597539 570416182 /nfs/dbraw/zinc/41/61/82/570416182.db2.gz PTTATSXHYAXWGI-HXUWFJFHSA-N 1 0 399.966 4.195 40 0 GIABRO COc1ccc(OC)c(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000039772734 570446531 /nfs/dbraw/zinc/44/65/31/570446531.db2.gz AKKZHSRMNOTDNB-UHFFFAOYSA-N 1 0 388.895 4.208 40 0 GIABRO CC[N@@H+]1CC[C@](O)(c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000005807727 570457388 /nfs/dbraw/zinc/45/73/88/570457388.db2.gz LFQIXZHWOHBULT-ICSRJNTNSA-N 1 0 378.299 4.406 40 0 GIABRO COc1ccccc1C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccc(C)cc1)C2 ZINC000035290518 570457792 /nfs/dbraw/zinc/45/77/92/570457792.db2.gz QDEBEFCYJZTPLT-FRIKZZABSA-N 1 0 378.516 4.319 40 0 GIABRO C[NH+](C)CCCNc1nc(NCc2ccccc2F)cc(-c2ccccc2)n1 ZINC000244220714 570458187 /nfs/dbraw/zinc/45/81/87/570458187.db2.gz VZRDESBNDVXVMC-UHFFFAOYSA-N 1 0 379.483 4.258 40 0 GIABRO Cc1ccc(CNc2cc(-c3ccccc3)nc(NCCC[NH+](C)C)n2)cc1 ZINC000244047114 570458387 /nfs/dbraw/zinc/45/83/87/570458387.db2.gz SZZDAZBPBXJLAD-UHFFFAOYSA-N 1 0 375.520 4.428 40 0 GIABRO C[NH+](C)CCNc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)n1 ZINC000244222799 570458445 /nfs/dbraw/zinc/45/84/45/570458445.db2.gz WAVPOJHZBJWLHX-UHFFFAOYSA-N 1 0 381.911 4.383 40 0 GIABRO Cc1ccccc1CNc1cc(-c2ccccc2)nc(NCCC[NH+](C)C)n1 ZINC000244226457 570458461 /nfs/dbraw/zinc/45/84/61/570458461.db2.gz WCXPVJFSQBKTCR-UHFFFAOYSA-N 1 0 375.520 4.428 40 0 GIABRO Cc1cccc(OCCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1C ZINC000223941069 570491261 /nfs/dbraw/zinc/49/12/61/570491261.db2.gz MJZZANHNPPQRCD-UHFFFAOYSA-N 1 0 380.532 4.344 40 0 GIABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCOc3cc(C)ccc3C)CC2)cc1 ZINC000224027763 570495318 /nfs/dbraw/zinc/49/53/18/570495318.db2.gz FQVZZVGGOABDTQ-UHFFFAOYSA-N 1 0 380.532 4.019 40 0 GIABRO COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCC[NH+](C)C)cc1 ZINC000006871433 570497406 /nfs/dbraw/zinc/49/74/06/570497406.db2.gz LIQIHPYNFKYWHV-UHFFFAOYSA-N 1 0 387.487 4.070 40 0 GIABRO CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224624909 570521294 /nfs/dbraw/zinc/52/12/94/570521294.db2.gz PLKIYDHGFGYFOC-QFIPXVFZSA-N 1 0 380.532 4.373 40 0 GIABRO CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224636301 570521624 /nfs/dbraw/zinc/52/16/24/570521624.db2.gz BQWHGXKIUFJWOQ-QFIPXVFZSA-N 1 0 380.532 4.373 40 0 GIABRO COc1ccc(NC(=S)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC000033919921 570530181 /nfs/dbraw/zinc/53/01/81/570530181.db2.gz GABBENKYOSCVRA-XHIHJMKYSA-N 1 0 397.588 4.287 40 0 GIABRO CC(C)c1ccc(OCC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000224831378 570532621 /nfs/dbraw/zinc/53/26/21/570532621.db2.gz NLCDGBANXSQRDQ-UHFFFAOYSA-N 1 0 380.532 4.491 40 0 GIABRO CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224840865 570533688 /nfs/dbraw/zinc/53/36/88/570533688.db2.gz NNQMBCPHAZJUPN-QHCPKHFHSA-N 1 0 380.532 4.455 40 0 GIABRO CCn1c2ccc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)cc2sc1=O ZINC000225096245 570548380 /nfs/dbraw/zinc/54/83/80/570548380.db2.gz IBNYWCBBBMOHTL-UHFFFAOYSA-N 1 0 395.528 4.321 40 0 GIABRO COc1cccc(CN(Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1OC ZINC000036740495 570569319 /nfs/dbraw/zinc/56/93/19/570569319.db2.gz LBJGYSXNYHORDD-UHFFFAOYSA-N 1 0 397.563 4.410 40 0 GIABRO CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225619189 570594741 /nfs/dbraw/zinc/59/47/41/570594741.db2.gz UCDAVFNCUVZIEA-JOCHJYFZSA-N 1 0 376.541 4.475 40 0 GIABRO OC1(c2cccnc2F)CC[NH+](Cc2ccc(-c3ccc(F)cc3F)o2)CC1 ZINC000012186089 570620795 /nfs/dbraw/zinc/62/07/95/570620795.db2.gz OIOUVGWTBLGAMR-UHFFFAOYSA-N 1 0 388.389 4.243 40 0 GIABRO Cc1cc(C)n(C[C@H](O)C[N@H+](Cc2ccco2)Cc2oc3ccccc3c2C)n1 ZINC000012186019 570620843 /nfs/dbraw/zinc/62/08/43/570620843.db2.gz PVSBBYQUKPEKSK-LJQANCHMSA-N 1 0 393.487 4.211 40 0 GIABRO Cc1cc(C)n(C[C@@H](O)C[N@H+](Cc2ccco2)Cc2c(C)oc3ccccc32)n1 ZINC000012185961 570621000 /nfs/dbraw/zinc/62/10/00/570621000.db2.gz UYPYIGXAJLENNY-IBGZPJMESA-N 1 0 393.487 4.211 40 0 GIABRO Cc1cnc(-c2nc(C3CC[NH+](Cc4ccc(C(C)C)cc4)CC3)no2)cn1 ZINC000012187327 570621392 /nfs/dbraw/zinc/62/13/92/570621392.db2.gz KHZFVTLSRGSRPN-UHFFFAOYSA-N 1 0 377.492 4.338 40 0 GIABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2cccn2-c2ccc(C)cn2)o1 ZINC000043277778 570627099 /nfs/dbraw/zinc/62/70/99/570627099.db2.gz OJMWRDFDLLQNHE-UHFFFAOYSA-N 1 0 389.503 4.371 40 0 GIABRO Fc1ccccc1C[N@H+](CCCn1ccnc1)CC1=Cc2ccccc2OC1 ZINC000043277841 570627168 /nfs/dbraw/zinc/62/71/68/570627168.db2.gz KPEOEQAOGSJWFU-UHFFFAOYSA-N 1 0 377.463 4.391 40 0 GIABRO COc1ccccc1C1(O)CC[NH+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000012292335 570633328 /nfs/dbraw/zinc/63/33/28/570633328.db2.gz PQPWQFOCVPWBHV-GOSISDBHSA-N 1 0 396.314 4.019 40 0 GIABRO Cc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(Cl)ccc2O3)cc1 ZINC000012293447 570633952 /nfs/dbraw/zinc/63/39/52/570633952.db2.gz XSFOFHBZXMJTLD-WOJBJXKFSA-N 1 0 387.907 4.033 40 0 GIABRO COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000044855702 570636762 /nfs/dbraw/zinc/63/67/62/570636762.db2.gz DGXZLKMSUGFJIR-OAQYLSRUSA-N 1 0 394.515 4.323 40 0 GIABRO CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872904 570637550 /nfs/dbraw/zinc/63/75/50/570637550.db2.gz PDAHEPFAJIJJAS-NRFANRHFSA-N 1 0 386.923 4.410 40 0 GIABRO CC[C@@H](Oc1ccccc1OC)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875446 570638081 /nfs/dbraw/zinc/63/80/81/570638081.db2.gz WNUYPRYHJBRCLB-OAQYLSRUSA-N 1 0 396.531 4.155 40 0 GIABRO CCOC(=O)[C@H]1[C@@H](c2ccccc2)[C@@H]2C(=O)CCCC[C@H]2[N@@H+]1Cc1ccccc1 ZINC000226086479 570640828 /nfs/dbraw/zinc/64/08/28/570640828.db2.gz PCLDENUBNWZUOM-AYVPJYCDSA-N 1 0 391.511 4.346 40 0 GIABRO CCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c(C)c1 ZINC000044912075 570642965 /nfs/dbraw/zinc/64/29/65/570642965.db2.gz QPCOKDIFLWXLTD-IBGZPJMESA-N 1 0 398.478 4.162 40 0 GIABRO CCOc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000044912620 570642978 /nfs/dbraw/zinc/64/29/78/570642978.db2.gz HPPMZQZILXFBLE-UHFFFAOYSA-N 1 0 386.923 4.267 40 0 GIABRO COc1ccccc1C1(O)CC[NH+](Cc2ccccc2N2CCCCC2)CC1 ZINC000012328582 570643701 /nfs/dbraw/zinc/64/37/01/570643701.db2.gz FACAHJDPDZHIOH-UHFFFAOYSA-N 1 0 380.532 4.169 40 0 GIABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1)c1ccc(OC)cc1 ZINC000044936285 570644278 /nfs/dbraw/zinc/64/42/78/570644278.db2.gz MTGNATQVGDHZHX-HSZRJFAPSA-N 1 0 380.532 4.483 40 0 GIABRO COc1ccccc1[C@H](C)NC(=O)Cn1cc(C[NH+]2CCCC2)c2ccccc21 ZINC000012361736 570646012 /nfs/dbraw/zinc/64/60/12/570646012.db2.gz JFDKNRBPUBSPQK-SFHVURJKSA-N 1 0 391.515 4.123 40 0 GIABRO O=C(Nc1ccc(OC(F)(F)F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047303043 570653660 /nfs/dbraw/zinc/65/36/60/570653660.db2.gz AVNZEWXKWIYXJR-UHFFFAOYSA-N 1 0 378.394 4.436 40 0 GIABRO COc1cccc(C[N@@H+](Cc2ccnc3ccccc23)C[C@H]2CCCO2)c1OC ZINC000057810944 570703738 /nfs/dbraw/zinc/70/37/38/570703738.db2.gz OQZYMCATAFAJCP-HXUWFJFHSA-N 1 0 392.499 4.433 40 0 GIABRO CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[N@@H+]1CCCC[C@H]1CC ZINC000260795862 570706447 /nfs/dbraw/zinc/70/64/47/570706447.db2.gz MIFSREUHAPFKMP-FYYLOGMGSA-N 1 0 386.580 4.494 40 0 GIABRO CCO[C@@](C)(CC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260812407 570707237 /nfs/dbraw/zinc/70/72/37/570707237.db2.gz BCLYDPKAXVCNFX-GCJKJVERSA-N 1 0 376.541 4.474 40 0 GIABRO COC1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@H](C)C3)cc2)CCCCCC1 ZINC000260814743 570707664 /nfs/dbraw/zinc/70/76/64/570707664.db2.gz NAJGKECIIYGSLR-IBGZPJMESA-N 1 0 388.552 4.475 40 0 GIABRO COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000006547434 570747270 /nfs/dbraw/zinc/74/72/70/570747270.db2.gz PJQWPNHJHNQOJJ-UHFFFAOYSA-N 1 0 397.544 4.116 40 0 GIABRO O=C(Nc1ccccc1Br)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063572 570774020 /nfs/dbraw/zinc/77/40/20/570774020.db2.gz FLGYYIRWRVACEG-UHFFFAOYSA-N 1 0 391.284 4.439 40 0 GIABRO CC[N@H+](C)[C@@H]1CN(C(=O)c2cc3c(cc(OC)cc3OC)[nH]2)C2(C1)CCCCC2 ZINC000019703924 570819569 /nfs/dbraw/zinc/81/95/69/570819569.db2.gz CZRHRSPJNVLFET-INIZCTEOSA-N 1 0 399.535 4.054 40 0 GIABRO Clc1ccc(C[N@H+](CCCN2CCOCC2)Cc2ccncc2)cc1Cl ZINC000013989986 570868420 /nfs/dbraw/zinc/86/84/20/570868420.db2.gz OWCZDPILCCDXGF-UHFFFAOYSA-N 1 0 394.346 4.113 40 0 GIABRO COc1ccc(OC)c(CN(Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000013992624 570869049 /nfs/dbraw/zinc/86/90/49/570869049.db2.gz PGWPFKOVQLSDOE-UHFFFAOYSA-N 1 0 397.563 4.410 40 0 GIABRO Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100349 570924316 /nfs/dbraw/zinc/92/43/16/570924316.db2.gz FGCVKIGSLZGKOR-JOCHJYFZSA-N 1 0 385.483 4.091 40 0 GIABRO C[C@H](c1ccccc1)N1C[C@]2(CC1=O)COCC[N@@H+]([C@H](C)c1ccccc1)C2 ZINC000585103581 570929132 /nfs/dbraw/zinc/92/91/32/570929132.db2.gz DMRCQCJPAVDZMB-YOSAUDMPSA-N 1 0 378.516 4.060 40 0 GIABRO Cc1ccc(C(=O)N[C@H](NC(=[NH2+])c2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000003109666 817417542 /nfs/dbraw/zinc/41/75/42/817417542.db2.gz GLIVRLLPWIAMNT-INIZCTEOSA-N 1 0 384.694 4.036 40 0 GIABRO c1csc(-c2cnc(N3CC[N@H+]4CCCC[C@H]4C3)nc2-c2nccs2)c1 ZINC000019344613 818590974 /nfs/dbraw/zinc/59/09/74/818590974.db2.gz RHPXMDIASAJPPC-AWEZNQCLSA-N 1 0 383.546 4.003 40 0 GIABRO CCN(C(C)=O)[C@@H]1C[N@H+](Cc2cncn2Cc2ccccc2)C2(C1)CCCCC2 ZINC000019703848 818600831 /nfs/dbraw/zinc/60/08/31/818600831.db2.gz OFAJAGLXPVRXKN-QFIPXVFZSA-N 1 0 394.563 4.077 40 0 GIABRO CC[N@@H+]1CCC[C@@](O)(c2nc(C)c(CCOc3ccccc3Cl)s2)CC1 ZINC000019705430 818601546 /nfs/dbraw/zinc/60/15/46/818601546.db2.gz VFZOQWFUBHQZDM-FQEVSTJZSA-N 1 0 394.968 4.420 40 0 GIABRO COc1cccc(C(=O)N2[C@H](Cc3ccccc3)C[C@@H]3[NH2+]CCCCC[C@H]32)c1 ZINC000019712864 818602552 /nfs/dbraw/zinc/60/25/52/818602552.db2.gz XRDKUDMXAROBDR-AKIFATBCSA-N 1 0 378.516 4.053 40 0 GIABRO CCOc1ccc(N2C[C@](O)(c3ccc(OCC)cc3)[N+]3=C2CCCCC3)cc1 ZINC000022408684 818802528 /nfs/dbraw/zinc/80/25/28/818802528.db2.gz HZLYGYQPUIDJRU-DEOSSOPVSA-N 1 0 395.523 4.134 40 0 GIABRO CC[C@H](Oc1cccc2ccccc21)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000038783437 821100160 /nfs/dbraw/zinc/10/01/60/821100160.db2.gz RJKRJCCYEZXSMZ-IPJJNNNSSA-N 1 0 382.548 4.481 40 0 GIABRO CC1(C)C[C@H](NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c2ccccc2O1 ZINC000044918291 821681034 /nfs/dbraw/zinc/68/10/34/821681034.db2.gz BFGXPLDWHHYHQE-RXVVDRJESA-N 1 0 396.506 4.456 40 0 GIABRO O=C(CSCc1ccccc1Cl)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224591159 222658889 /nfs/dbraw/zinc/65/88/89/222658889.db2.gz USNPLUOXDVOMEK-UHFFFAOYSA-N 1 0 388.964 4.485 40 0 GIABRO CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224671648 222659656 /nfs/dbraw/zinc/65/96/56/222659656.db2.gz OTEOAEZUOLPBNM-HSZRJFAPSA-N 1 0 396.531 4.155 40 0 GIABRO C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224681876 222659924 /nfs/dbraw/zinc/65/99/24/222659924.db2.gz GBZANKJXHAYQCL-QGZVFWFLSA-N 1 0 386.923 4.410 40 0 GIABRO Cc1cccc(C[NH+]2CCC(c3cncc(Nc4nc(C)cc(C)n4)n3)CC2)c1 ZINC000257309523 222775457 /nfs/dbraw/zinc/77/54/57/222775457.db2.gz UBGOCRQDQIBCKY-UHFFFAOYSA-N 1 0 388.519 4.315 40 0 GIABRO CC[NH+](CC)CCC[C@H](C)Nc1cc(OC)c2nc(C)cc(OC)c2c1OC ZINC000002028734 212261646 /nfs/dbraw/zinc/26/16/46/212261646.db2.gz KIQWWLHFEKTYBR-HNNXBMFYSA-N 1 0 389.540 4.491 40 0 GIABRO CCc1cc(N2CCc3cc(C(=O)OC)ccc3C2)nc(NC2CCCCC2)[nH+]1 ZINC000329030192 212093730 /nfs/dbraw/zinc/09/37/30/212093730.db2.gz QCCLFHJVPLLRKP-UHFFFAOYSA-N 1 0 394.519 4.133 40 0 GIABRO COC(=O)c1c(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)sc2c1CCCC2 ZINC000010691160 221106651 /nfs/dbraw/zinc/10/66/51/221106651.db2.gz AKTTXAUCAPWXQG-UHFFFAOYSA-N 1 0 398.528 4.262 40 0 GIABRO Cc1ccccc1C1(O)CC[NH+](Cc2ccccc2OCc2ccccn2)CC1 ZINC000012118285 221152848 /nfs/dbraw/zinc/15/28/48/221152848.db2.gz UMFNMIPDQABBKP-UHFFFAOYSA-N 1 0 388.511 4.453 40 0 GIABRO COc1ccc(C[N@@H+]2Cc3ccccc3OC3(CCC(CO)CC3)C2)cc1C ZINC000012126503 221155355 /nfs/dbraw/zinc/15/53/55/221155355.db2.gz JQSMUOMEBMCVJS-UHFFFAOYSA-N 1 0 381.516 4.320 40 0 GIABRO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2ccccc2N2CCCC2)CC1 ZINC000012292968 221175287 /nfs/dbraw/zinc/17/52/87/221175287.db2.gz QWEGYEGAPPAVBU-UHFFFAOYSA-N 1 0 395.522 4.053 40 0 GIABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@H](O)c1ccc3ccccc3c1O2)c1ccccc1 ZINC000012293364 221175923 /nfs/dbraw/zinc/17/59/23/221175923.db2.gz MBPVCSLHIRXDDK-GOTSBHOMSA-N 1 0 389.495 4.224 40 0 GIABRO COc1ccccc1C1(O)CC[NH+](Cc2cc3ccc(C)cc3nc2OC)CC1 ZINC000012330644 221182280 /nfs/dbraw/zinc/18/22/80/221182280.db2.gz RKZRORBKZYWGHA-UHFFFAOYSA-N 1 0 392.499 4.044 40 0 GIABRO COc1ccc(C[NH+]2CCC3(CC2)OCCc2cnc(C(C)C)nc23)c(C)c1C ZINC000012337922 221184087 /nfs/dbraw/zinc/18/40/87/221184087.db2.gz JEMBYVSKJMELKQ-UHFFFAOYSA-N 1 0 395.547 4.289 40 0 GIABRO Cc1cc(C)n(C[C@@H](O)C[N@H+](Cc2ccco2)Cc2oc3ccccc3c2C)n1 ZINC000012186016 221164118 /nfs/dbraw/zinc/16/41/18/221164118.db2.gz PVSBBYQUKPEKSK-IBGZPJMESA-N 1 0 393.487 4.211 40 0 GIABRO Cc1cc(C)n(C[C@H](O)C[N@H+](Cc2ccco2)Cc2c(C)oc3ccccc32)n1 ZINC000012185966 221164504 /nfs/dbraw/zinc/16/45/04/221164504.db2.gz UYPYIGXAJLENNY-LJQANCHMSA-N 1 0 393.487 4.211 40 0 GIABRO O=C(NC1CC[NH+](C[C@@H](c2ccccc2)C2CCCCC2)CC1)[C@@H]1CCCO1 ZINC000012188797 221165336 /nfs/dbraw/zinc/16/53/36/221165336.db2.gz FQKNNQQPTGBZMT-GOTSBHOMSA-N 1 0 384.564 4.110 40 0 GIABRO Cc1[nH]c2c(cccc2C)c1CC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000012238120 221172175 /nfs/dbraw/zinc/17/21/75/221172175.db2.gz RRXAJHMLJOGGRH-UHFFFAOYSA-N 1 0 381.495 4.057 40 0 GIABRO COc1ccc(C[N@@H+](Cc2ccc3ccccc3n2)C[C@H]2CCCO2)cc1OC ZINC000013994188 221296099 /nfs/dbraw/zinc/29/60/99/221296099.db2.gz XGTYEMZNONMBFD-OAQYLSRUSA-N 1 0 392.499 4.433 40 0 GIABRO O[C@@H]1C[C@@H](c2nc(Cc3ccc(F)cc3Cl)no2)[N@H+](CC2CCCCC2)C1 ZINC000015675094 221338982 /nfs/dbraw/zinc/33/89/82/221338982.db2.gz RWOVCOZTRLUCOT-AEFFLSMTSA-N 1 0 393.890 4.141 40 0 biogenic,in-vitro GIABRO O=C(C[C@@H]([NH2+]Cc1ccncc1)c1ccccc1)c1cc2ccccc2oc1=O ZINC000019203774 221398809 /nfs/dbraw/zinc/39/88/09/221398809.db2.gz UZAFKACNMYZMGO-OAQYLSRUSA-N 1 0 384.435 4.292 40 0 GIABRO COc1cc(C)ccc1C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCCN2C(C)=O ZINC000019134127 221399653 /nfs/dbraw/zinc/39/96/53/221399653.db2.gz DFWAZJFNTOVQKS-CQOQZXRMSA-N 1 0 396.506 4.122 40 0 GIABRO CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)C[N@@H+]2Cc1ccccc1Cl ZINC000019017769 221393733 /nfs/dbraw/zinc/39/37/33/221393733.db2.gz ARSDMNVIGQKISV-CEMLEFRQSA-N 1 0 386.898 4.458 40 0 GIABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1 ZINC000019081879 221396447 /nfs/dbraw/zinc/39/64/47/221396447.db2.gz PLQGSVHFEFTNAQ-DENIHFKCSA-N 1 0 395.547 4.206 40 0 GIABRO [NH3+][C@H]1CCc2nc(-c3cccnc3)nc(Nc3ccc(C(F)(F)F)cc3)c2C1 ZINC000019341118 221408197 /nfs/dbraw/zinc/40/81/97/221408197.db2.gz JAGFAOYIWPZQBX-AWEZNQCLSA-N 1 0 385.393 4.117 40 0 GIABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(N2CCCCC2)cc1 ZINC000224614103 136207133 /nfs/dbraw/zinc/20/71/33/136207133.db2.gz OFIMWMSXDONEIS-UHFFFAOYSA-N 1 0 377.532 4.203 40 0 GIABRO COc1ccc(CNC(=O)[C@@H]2Cc3c[nH]c4cccc(c34)[C@H](CC(C)C)[NH2+]2)cc1 ZINC000049171401 221997216 /nfs/dbraw/zinc/99/72/16/221997216.db2.gz ADXWPMUXXFACME-VXKWHMMOSA-N 1 0 391.515 4.094 40 0 biogenic,in-vitro GIABRO O=S(=O)(NC[C@@H]([NH2+]C1CCCCC1)c1ccccc1)c1ccc(Cl)cc1 ZINC000059121217 222056393 /nfs/dbraw/zinc/05/63/93/222056393.db2.gz QUHNGUBOKUKNFI-HXUWFJFHSA-N 1 0 392.952 4.282 40 0 GIABRO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCC[N@H+](CCc3ccccc3)C2)n1 ZINC000072345924 222233218 /nfs/dbraw/zinc/23/32/18/222233218.db2.gz YGVOTNAVRQLMTM-IBGZPJMESA-N 1 0 376.479 4.287 40 0 GIABRO CC(=O)N1CCC([N@@H+]2CCC[C@@H](c3cccc(-c4ccccc4F)n3)C2)CC1 ZINC000072350188 222236516 /nfs/dbraw/zinc/23/65/16/222236516.db2.gz VBMRWCHMLRFRCO-GOSISDBHSA-N 1 0 381.495 4.078 40 0 GIABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3cccc(Cc4ccc(Cl)cc4)n3)C2)cn1 ZINC000072349990 222236543 /nfs/dbraw/zinc/23/65/43/222236543.db2.gz YBNHBYYVIIZBEF-LJQANCHMSA-N 1 0 380.923 4.439 40 0 GIABRO COc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)COC(C)C)C3)c2)c1 ZINC000072352076 222237497 /nfs/dbraw/zinc/23/74/97/222237497.db2.gz RPEMEIZHUVYQKN-GOSISDBHSA-N 1 0 397.519 4.273 40 0 GIABRO COc1ccccc1Cc1cc(C)nc([C@H]2CCC[N@H+](Cc3ccnn3C)C2)c1 ZINC000072354105 222237712 /nfs/dbraw/zinc/23/77/12/222237712.db2.gz BJPLGYMPCXGVLB-NRFANRHFSA-N 1 0 390.531 4.103 40 0 GIABRO C[NH+]1CCC(C(=O)N2CCC[C@H](c3cccc(-c4cccc(Cl)c4)n3)C2)CC1 ZINC000072350386 222238021 /nfs/dbraw/zinc/23/80/21/222238021.db2.gz UVAKMNSLYPTSHK-IBGZPJMESA-N 1 0 397.950 4.450 40 0 GIABRO COc1ccc(CC[N@@H+]2CC[C@H](c3c4ccccc4sc3C(N)=O)C2)cc1 ZINC000072352212 222238180 /nfs/dbraw/zinc/23/81/80/222238180.db2.gz RIAPUAYIJQXRRT-INIZCTEOSA-N 1 0 380.513 4.041 40 0 GIABRO COc1cccc(-c2nccnc2[C@H]2CCC[N@H+](CCOc3ccccc3)C2)c1 ZINC000072358892 222238788 /nfs/dbraw/zinc/23/87/88/222238788.db2.gz XHRYQRSKIATBFQ-FQEVSTJZSA-N 1 0 389.499 4.411 40 0 GIABRO O=C(c1ccc(Cl)cc1)N1CC[N@@H+](C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355074 222239025 /nfs/dbraw/zinc/23/90/25/222239025.db2.gz NBNKAJQNIJRXFX-SFHVURJKSA-N 1 0 397.950 4.294 40 0 GIABRO CCn1cc(C[N@@H+]2CCC[C@H](c3cc(Nc4ccccn4)cc(C)n3)C2)c(C)n1 ZINC000072374965 222243296 /nfs/dbraw/zinc/24/32/96/222243296.db2.gz YFASPTDDFOSOMR-IBGZPJMESA-N 1 0 390.535 4.433 40 0 GIABRO c1cc2cc(C[N@@H+]3CCC[C@@H](c4ccnc(Nc5ccccn5)n4)C3)ccc2[nH]1 ZINC000072378105 222244302 /nfs/dbraw/zinc/24/43/02/222244302.db2.gz JFJISTCCKMNLNK-LJQANCHMSA-N 1 0 384.487 4.476 40 0 GIABRO CCc1nccn1-c1cccc([C@@H]2CCC[N@H+](CCOc3ccc(F)cc3)C2)n1 ZINC000072379227 222244517 /nfs/dbraw/zinc/24/45/17/222244517.db2.gz SWWYWEPPNYBDDV-GOSISDBHSA-N 1 0 394.494 4.227 40 0 GIABRO CNc1ncccc1C[N@@H+]1CCCC[C@@H]1c1nc(N)ncc1-c1cccc(F)c1 ZINC000072377239 222244888 /nfs/dbraw/zinc/24/48/88/222244888.db2.gz AASUBIBZDYZESD-LJQANCHMSA-N 1 0 392.482 4.029 40 0 GIABRO CCOc1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](c3cc[nH]n3)C2)ccc1OC ZINC000072395184 222251327 /nfs/dbraw/zinc/25/13/27/222251327.db2.gz QATFBZBQLGDZCZ-VQTJNVASSA-N 1 0 377.488 4.200 40 0 GIABRO C[C@@H](C[N@@H+]1CCC[C@H]([C@H](NC(=O)C2CC2)c2ccccn2)C1)c1ccccc1 ZINC000072398556 222253481 /nfs/dbraw/zinc/25/34/81/222253481.db2.gz BIKSJRSBRCTGDK-HARLFGEKSA-N 1 0 377.532 4.165 40 0 GIABRO COc1cccc(NC(=O)N2CCC3(C2)CC[NH+](Cc2cccc(F)c2)CC3)c1 ZINC000096046630 222374418 /nfs/dbraw/zinc/37/44/18/222374418.db2.gz MSBZJZWWXHHECC-UHFFFAOYSA-N 1 0 397.494 4.354 40 0 GIABRO CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+](Cc3cccnc3)CC2)c2ccccc21 ZINC000096053049 222374874 /nfs/dbraw/zinc/37/48/74/222374874.db2.gz YLRBLRAGNNWXIT-OAQYLSRUSA-N 1 0 391.559 4.361 40 0 GIABRO COc1cccc(-c2ccc3nc(C4CC[NH+](Cc5ccco5)CC4)nn3c2)c1 ZINC000096038218 222375015 /nfs/dbraw/zinc/37/50/15/222375015.db2.gz DYNPPDNMPXLRKJ-UHFFFAOYSA-N 1 0 388.471 4.378 40 0 GIABRO CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+](Cc3ccco3)CC2)Oc2ccccc21 ZINC000096053458 222375061 /nfs/dbraw/zinc/37/50/61/222375061.db2.gz YRMOISOFFPOLNS-LJQANCHMSA-N 1 0 396.531 4.439 40 0 GIABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3cccs3)CC2)Oc2ccccc21)NC1CC1 ZINC000096053415 222375305 /nfs/dbraw/zinc/37/53/05/222375305.db2.gz FPGNICUPASDVBC-QGZVFWFLSA-N 1 0 396.556 4.318 40 0 GIABRO Cn1cc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(F)cn3)no2)c2ccccc21 ZINC000049155418 560083958 /nfs/dbraw/zinc/08/39/58/560083958.db2.gz HFOUNNJHORKPIB-IBGZPJMESA-N 1 0 377.423 4.100 40 0 biogenic,in-vitro GIABRO COc1ccc([C@@H]2CCCN2C(=O)CC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000019748241 570214230 /nfs/dbraw/zinc/21/42/30/570214230.db2.gz DAQUHURBUFKBJY-QHCPKHFHSA-N 1 0 393.531 4.056 40 0 GIABRO CC[C@H](c1ccc(F)cc1)N(C)C(=O)CC1CC[NH+](Cc2ccccn2)CC1 ZINC000019748270 570214271 /nfs/dbraw/zinc/21/42/71/570214271.db2.gz XEWZKJKZCBSDOV-JOCHJYFZSA-N 1 0 383.511 4.433 40 0 GIABRO O=C(c1ccc[nH]1)N1Cc2ccccc2C2(CC[NH+](CC3CCCC3)CC2)C1 ZINC000096242450 570222746 /nfs/dbraw/zinc/22/27/46/570222746.db2.gz XMOYBDBWHUUEJE-UHFFFAOYSA-N 1 0 377.532 4.195 40 0 GIABRO CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CC[NH+]1CCCC1 ZINC000096305896 570228423 /nfs/dbraw/zinc/22/84/23/570228423.db2.gz FOJASCITRIKBSA-UHFFFAOYSA-N 1 0 386.517 4.325 40 0 GIABRO Cc1nc[nH]c1C[N@@H+]1CC[C@@H](Nc2cccc(F)c2)[C@@H](Cc2ccccc2)C1 ZINC000585262238 570229728 /nfs/dbraw/zinc/22/97/28/570229728.db2.gz PYPAWFQDOLZLKX-SIKLNZKXSA-N 1 0 378.495 4.403 40 0 GIABRO OCC[N@@H+]1CCC[C@H]1CCc1ccc(Nc2ncc(-c3ccccc3)s2)nc1 ZINC000585263043 570230771 /nfs/dbraw/zinc/23/07/71/570230771.db2.gz XAWYASAASJCZKP-IBGZPJMESA-N 1 0 394.544 4.338 40 0 GIABRO Clc1ccc2ncc(-c3cccc(C[C@@H]4CCC5(CC[NH2+]CC5)CO4)n3)n2c1 ZINC000585263266 570231714 /nfs/dbraw/zinc/23/17/14/570231714.db2.gz UBYCUPIJVSXVOU-SFHVURJKSA-N 1 0 396.922 4.141 40 0 GIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)C1 ZINC000020104295 570239744 /nfs/dbraw/zinc/23/97/44/570239744.db2.gz MPLMSIYUUIHLQX-IBGZPJMESA-N 1 0 395.522 4.020 40 0 GIABRO Cc1cc(OCC2(O)CC[NH+](Cc3ccc4[nH]cnc4c3)CC2)cc(C)c1Cl ZINC000585271163 570239789 /nfs/dbraw/zinc/23/97/89/570239789.db2.gz SGOVHIBYPOMOFN-UHFFFAOYSA-N 1 0 399.922 4.239 40 0 GIABRO Cc1cc(C)c(C)c(OC[C@@]2(O)COCC[N@@H+](C3CCC(C)(C)CC3)C2)c1 ZINC000585281793 570248152 /nfs/dbraw/zinc/24/81/52/570248152.db2.gz ASUFCNUYFCGBSL-QHCPKHFHSA-N 1 0 375.553 4.023 40 0 GIABRO O=C(NCCC[NH+]1CCCC1)c1ccc(OCCSc2ccccc2)cc1 ZINC000020492519 570263020 /nfs/dbraw/zinc/26/30/20/570263020.db2.gz HSCYBAMYVIPXLM-UHFFFAOYSA-N 1 0 384.545 4.073 40 0 GIABRO C[C@@H]([NH2+]CCc1ccc(O)cc1)C(=O)c1ccc(OCc2ccccc2)cc1 ZINC000021985149 570300769 /nfs/dbraw/zinc/30/07/69/570300769.db2.gz QKVNQEPGFVLFCE-GOSISDBHSA-N 1 0 375.468 4.375 40 0 GIABRO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000022133957 570306477 /nfs/dbraw/zinc/30/64/77/570306477.db2.gz KEURUDOIFSKUJR-HXUWFJFHSA-N 1 0 378.863 4.455 40 0 GIABRO O=C(Nc1ccccc1)N1C[C@H]2[C@@H](CN2Cc2ccc(C(F)(F)F)cc2)C1 ZINC000107798595 570311154 /nfs/dbraw/zinc/31/11/54/570311154.db2.gz OLHPGDQMWKWTJM-YJBOKZPZSA-N 1 0 375.394 4.054 40 0 GIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCCN(C)c3ccccc3)cc2)C1 ZINC000219242942 570350421 /nfs/dbraw/zinc/35/04/21/570350421.db2.gz JVGKDHQSODIWAZ-FQEVSTJZSA-N 1 0 379.548 4.175 40 0 GIABRO COC(=O)c1cn(C(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc12 ZINC000222625849 570417580 /nfs/dbraw/zinc/41/75/80/570417580.db2.gz KBSJUKYNUCFAFW-UHFFFAOYSA-N 1 0 394.446 4.119 40 0 GIABRO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000222669085 570419506 /nfs/dbraw/zinc/41/95/06/570419506.db2.gz HITIBPBPAIVLAT-HXUWFJFHSA-N 1 0 394.559 4.450 40 0 GIABRO COc1ccccc1[C@@H](C)NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000223088422 570442530 /nfs/dbraw/zinc/44/25/30/570442530.db2.gz UBKRNEHGYJJLTD-MRXNPFEDSA-N 1 0 386.923 4.438 40 0 GIABRO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc2c(c1)CCC2 ZINC000223225513 570450870 /nfs/dbraw/zinc/45/08/70/570450870.db2.gz PNUJXVFOYRYCFC-QGZVFWFLSA-N 1 0 380.507 4.404 40 0 GIABRO COc1ccccc1C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccccc1OC)C2 ZINC000035289824 570455542 /nfs/dbraw/zinc/45/55/42/570455542.db2.gz WLXFMNYEOGPPBF-IHWFROFDSA-N 1 0 394.515 4.019 40 0 GIABRO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(OC)cc1 ZINC000028296114 570457727 /nfs/dbraw/zinc/45/77/27/570457727.db2.gz KGRHZNBYOBAOJK-OAQYLSRUSA-N 1 0 393.487 4.163 40 0 GIABRO Clc1ccc(-n2c(SCC[NH+]3CCCC3)nnc2-c2cccnc2)cc1 ZINC000035311076 570471014 /nfs/dbraw/zinc/47/10/14/570471014.db2.gz IKGAGAHLVCDJTL-UHFFFAOYSA-N 1 0 385.924 4.171 40 0 GIABRO COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000223640966 570476372 /nfs/dbraw/zinc/47/63/72/570476372.db2.gz KMBQBEGTONLQMY-SFHVURJKSA-N 1 0 396.531 4.427 40 0 GIABRO CCCSc1nnc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)s1 ZINC000223692776 570479256 /nfs/dbraw/zinc/47/92/56/570479256.db2.gz ZMKDBHTVGUPUNO-AWEZNQCLSA-N 1 0 394.541 4.030 40 0 GIABRO Cc1ccc(Cl)c(OC[C@@]2(O)CCC[N@H+](Cc3ccc(O)cc3)CC2)c1 ZINC000257243620 570488177 /nfs/dbraw/zinc/48/81/77/570488177.db2.gz IHUPMXVRXJJMFJ-OAQYLSRUSA-N 1 0 375.896 4.150 40 0 GIABRO CCc1ccc(OCCNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000224334405 570509609 /nfs/dbraw/zinc/50/96/09/570509609.db2.gz WDMUWRYKLDTTPE-LJQANCHMSA-N 1 0 380.532 4.290 40 0 GIABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2nnc(-c3ccccc3)s2)CC1 ZINC000224688932 570524950 /nfs/dbraw/zinc/52/49/50/570524950.db2.gz AIZJCPQNJDRFQC-UHFFFAOYSA-N 1 0 392.528 4.364 40 0 GIABRO Cc1cc(OCC(=O)NCc2ccccc2C[NH+]2CCCCC2)ccc1Cl ZINC000224831251 570532726 /nfs/dbraw/zinc/53/27/26/570532726.db2.gz LLQKXFLNLBZVKD-UHFFFAOYSA-N 1 0 386.923 4.330 40 0 GIABRO CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](C[NH3+])c2cccc(Oc3ccccc3)c2)C1 ZINC000035622946 570556804 /nfs/dbraw/zinc/55/68/04/570556804.db2.gz NSQRQRJDMLTDCH-RXVVDRJESA-N 1 0 397.519 4.078 40 0 GIABRO O=C(CCc1c(Cl)cccc1Cl)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000225362217 570567360 /nfs/dbraw/zinc/56/73/60/570567360.db2.gz POUPDVFDPNDKPE-UHFFFAOYSA-N 1 0 391.342 4.491 40 0 GIABRO C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)C1 ZINC000036741212 570569263 /nfs/dbraw/zinc/56/92/63/570569263.db2.gz NIUACUXDOIOPDD-HXOBKFHXSA-N 1 0 396.506 4.184 40 0 GIABRO O=C1CCCN1CCOc1ccccc1C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000036752989 570570065 /nfs/dbraw/zinc/57/00/65/570570065.db2.gz QEHZPHOBHKJQAO-OAQYLSRUSA-N 1 0 382.479 4.164 40 0 GIABRO COC(=O)c1ccc(C)c(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000038851898 570588327 /nfs/dbraw/zinc/58/83/27/570588327.db2.gz LFBPFBQTFYHZIS-UHFFFAOYSA-N 1 0 380.488 4.410 40 0 GIABRO CO[C@]1(C(=O)Nc2ccc(OCC[NH+]3CCC(C)CC3)cc2)CCC[C@H](C)C1 ZINC000225635437 570596719 /nfs/dbraw/zinc/59/67/19/570596719.db2.gz CBQJPURPEFSDTG-WMZHIEFXSA-N 1 0 388.552 4.331 40 0 GIABRO CC[NH+](CC)CCCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1 ZINC000225640684 570597294 /nfs/dbraw/zinc/59/72/94/570597294.db2.gz ICWBBYYBIKLBAN-UHFFFAOYSA-N 1 0 376.541 4.331 40 0 GIABRO CCO[C@](C)(CC)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225651263 570598032 /nfs/dbraw/zinc/59/80/32/570598032.db2.gz OMYBZCRLXJXVIW-JOCHJYFZSA-N 1 0 376.541 4.475 40 0 GIABRO CCCOC1(C(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)CCCCC1 ZINC000225656926 570598890 /nfs/dbraw/zinc/59/88/90/570598890.db2.gz YRQTYQKKEJOFFG-UHFFFAOYSA-N 1 0 376.541 4.475 40 0 GIABRO CCCO[C@@](C)(C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1)C1CC1 ZINC000225672350 570600923 /nfs/dbraw/zinc/60/09/23/570600923.db2.gz VHNCMBOQDDANDC-HSZRJFAPSA-N 1 0 388.552 4.475 40 0 GIABRO CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000225702900 570606077 /nfs/dbraw/zinc/60/60/77/570606077.db2.gz BLTPWVBGNXBOGL-JOCHJYFZSA-N 1 0 376.541 4.475 40 0 GIABRO CCCO[C@](C)(CC)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225730639 570610097 /nfs/dbraw/zinc/61/00/97/570610097.db2.gz GDNFQQFDXCKMSH-JOCHJYFZSA-N 1 0 376.541 4.475 40 0 GIABRO CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000225738425 570611490 /nfs/dbraw/zinc/61/14/90/570611490.db2.gz HZEDPYWWLXQQDQ-QFIPXVFZSA-N 1 0 376.541 4.475 40 0 GIABRO COc1ccc(C[N@@H+](Cc2c[nH]c3ccccc23)C[C@H]2CCCO2)cc1OC ZINC000012187294 570621435 /nfs/dbraw/zinc/62/14/35/570621435.db2.gz XELIEWXHXOQVKU-LJQANCHMSA-N 1 0 380.488 4.366 40 0 GIABRO Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000044852969 570636254 /nfs/dbraw/zinc/63/62/54/570636254.db2.gz DVRLEVCPUZHKIO-HXUWFJFHSA-N 1 0 380.532 4.424 40 0 GIABRO Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1C ZINC000044875425 570637665 /nfs/dbraw/zinc/63/76/65/570637665.db2.gz MNDSUDDRFWJVQP-FQEVSTJZSA-N 1 0 380.532 4.373 40 0 GIABRO Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000044875049 570637672 /nfs/dbraw/zinc/63/76/72/570637672.db2.gz SEISARQWWIXHJX-FQEVSTJZSA-N 1 0 380.532 4.373 40 0 GIABRO COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H](C)[N@@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000004866924 570641164 /nfs/dbraw/zinc/64/11/64/570641164.db2.gz GFUQQOVSQZRWCR-USGALAMMSA-N 1 0 397.519 4.182 40 0 GIABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1)c1ccc(OC)cc1 ZINC000044936281 570644397 /nfs/dbraw/zinc/64/43/97/570644397.db2.gz MTGNATQVGDHZHX-QHCPKHFHSA-N 1 0 380.532 4.483 40 0 GIABRO CCOC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1Cl ZINC000044939926 570644796 /nfs/dbraw/zinc/64/47/96/570644796.db2.gz LOBDCJLTEZLLRL-UHFFFAOYSA-N 1 0 386.879 4.365 40 0 GIABRO Cc1c(/C=C/c2cc[n+](C)cc2)c2ccccc2n1CC(=O)NC1CCCCC1 ZINC000004932914 570649649 /nfs/dbraw/zinc/64/96/49/570649649.db2.gz CHGSMDPMKAWKBH-UHFFFAOYSA-O 1 0 388.535 4.394 40 0 GIABRO C[NH+](C)CC(C)(C)CNc1c2c(nc3cc(-c4cccc(F)c4)nn31)CCCC2 ZINC000004980752 570655945 /nfs/dbraw/zinc/65/59/45/570655945.db2.gz ALKGBQWZOUPWDP-UHFFFAOYSA-N 1 0 395.526 4.414 40 0 GIABRO C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000005625738 570665459 /nfs/dbraw/zinc/66/54/59/570665459.db2.gz UTQAWKRUTNWPHS-YOEHRIQHSA-N 1 0 388.943 4.091 40 0 GIABRO CCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260812551 570707281 /nfs/dbraw/zinc/70/72/81/570707281.db2.gz GEKFLSCAGRMPAL-AVRDEDQJSA-N 1 0 376.541 4.331 40 0 GIABRO CCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260812536 570707397 /nfs/dbraw/zinc/70/73/97/570707397.db2.gz FPZXERFFMVDAOV-GCJKJVERSA-N 1 0 376.541 4.474 40 0 GIABRO CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260818155 570708789 /nfs/dbraw/zinc/70/87/89/570708789.db2.gz VPZJWYBMVHSAOQ-XMSQKQJNSA-N 1 0 376.541 4.474 40 0 GIABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]C3CCCCCC3)o2)c1 ZINC000007540718 570760579 /nfs/dbraw/zinc/76/05/79/570760579.db2.gz BCRFJRAJZJNUOV-UHFFFAOYSA-N 1 0 385.460 4.332 40 0 GIABRO CCn1cc(C[NH+]2CCC(c3cccc(Nc4nc(C)cs4)n3)CC2)c(C)n1 ZINC000257210631 570760987 /nfs/dbraw/zinc/76/09/87/570760987.db2.gz BVNKOKJQKXUCOS-UHFFFAOYSA-N 1 0 396.564 4.495 40 0 GIABRO CNc1cc([C@H]2CCCN2C(=O)c2ccccc2C[NH+]2CCCCC2)ccn1 ZINC000257238957 570767459 /nfs/dbraw/zinc/76/74/59/570767459.db2.gz HNFXFGFRAWQSEZ-OAQYLSRUSA-N 1 0 378.520 4.087 40 0 GIABRO O=C(C[NH+]1CCCCC1)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257246930 570769550 /nfs/dbraw/zinc/76/95/50/570769550.db2.gz IWPSZCNZGCLXPU-IBGZPJMESA-N 1 0 387.911 4.068 40 0 GIABRO C[NH+](C)Cc1cccc(-c2cccnc2C(=O)NCc2cccc(Cl)c2)c1 ZINC000257252848 570770637 /nfs/dbraw/zinc/77/06/37/570770637.db2.gz JWHZOFATROEVAX-UHFFFAOYSA-N 1 0 379.891 4.394 40 0 GIABRO Cc1cc(C)nc(Nc2cncc(C3CC[NH+](Cc4ccccc4F)CC3)n2)n1 ZINC000257256290 570770979 /nfs/dbraw/zinc/77/09/79/570770979.db2.gz KKVMSOGGULFNON-UHFFFAOYSA-N 1 0 392.482 4.146 40 0 GIABRO CNc1ncccc1CN1CCCC[C@H]1c1cc(C)nc(-c2c(C)noc2C)n1 ZINC000257271909 570773578 /nfs/dbraw/zinc/77/35/78/570773578.db2.gz NAHUWGBOKUHUQV-IBGZPJMESA-N 1 0 392.507 4.221 40 0 GIABRO CCn1cc(C[N@@H+]2CC[C@H](c3cc(Nc4ccc(OC)cc4)cc(C)n3)C2)cn1 ZINC000257320289 570780812 /nfs/dbraw/zinc/78/08/12/570780812.db2.gz VWBPCZQSGKVHJP-IBGZPJMESA-N 1 0 391.519 4.348 40 0 GIABRO Cc1n[nH]cc1C(=O)N1CCC[C@H](c2cc(Nc3cccc(F)c3)cc(C)[nH+]2)C1 ZINC000257334887 570783507 /nfs/dbraw/zinc/78/35/07/570783507.db2.gz YHUJOOZSELWNFW-INIZCTEOSA-N 1 0 393.466 4.324 40 0 GIABRO O=C(c1ccc(O)cc1)N1CCC[C@]2(CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100339 570923957 /nfs/dbraw/zinc/92/39/57/570923957.db2.gz DHOHXGKQAOIWNR-QHCPKHFHSA-N 1 0 382.479 4.192 40 0 GIABRO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3C[C@@H]3CCCO3)CC2)cc1 ZINC000585099838 570925773 /nfs/dbraw/zinc/92/57/73/570925773.db2.gz GJLMEKIAPBEFDX-LADGPHEKSA-N 1 0 384.564 4.336 40 0 GIABRO c1ccc(CNc2ccc3nc([C@H]4CCC[N@H+](Cc5ccncc5)C4)nn3c2)cc1 ZINC000306124132 570935746 /nfs/dbraw/zinc/93/57/46/570935746.db2.gz BHAAEKGEOTTWKA-NRFANRHFSA-N 1 0 398.514 4.116 40 0 GIABRO Cc1cccc(C[N@@H+]2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306125559 570936919 /nfs/dbraw/zinc/93/69/19/570936919.db2.gz CTYZLRWHZBBJAY-JOCHJYFZSA-N 1 0 383.499 4.479 40 0 GIABRO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@H+](Cc5ccccn5)C4)nn3c2)c1 ZINC000306135613 570942117 /nfs/dbraw/zinc/94/21/17/570942117.db2.gz OVYAOUSKNKUVGZ-HXUWFJFHSA-N 1 0 399.498 4.180 40 0 GIABRO COc1cccc(-c2ccc3nc([C@H]4CCC[N@@H+](C5CCC5)C4)nn3c2)c1OC ZINC000306139456 570944230 /nfs/dbraw/zinc/94/42/30/570944230.db2.gz SXTUUMTZOXGVED-KRWDZBQOSA-N 1 0 392.503 4.145 40 0 GIABRO Fc1cccc(-c2ccc3nc([C@H]4CCC[N@H+](Cc5cccnc5)C4)nn3c2)c1 ZINC000306140815 570944722 /nfs/dbraw/zinc/94/47/22/570944722.db2.gz VEOZHIPCRSTAJE-FQEVSTJZSA-N 1 0 387.462 4.310 40 0 GIABRO O=C(C1CCC1)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](Cc3cccs3)CC[C@H]21 ZINC000019343531 570977015 /nfs/dbraw/zinc/97/70/15/570977015.db2.gz PZVGFULPWMCLPJ-VAMGGRTRSA-N 1 0 386.586 4.426 40 0 GIABRO CC(C)CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CC[N@H+](CC2CC2)C1 ZINC000019447320 570984472 /nfs/dbraw/zinc/98/44/72/570984472.db2.gz FBIBJSSMHZAFRM-VWLOTQADSA-N 1 0 391.559 4.165 40 0 GIABRO CCCNC(=O)c1cc([C@@H]2CCC[N@H+](Cc3cccc4ccccc43)C2)no1 ZINC000019503703 570993730 /nfs/dbraw/zinc/99/37/30/570993730.db2.gz XYGILKPYSUWMKS-LJQANCHMSA-N 1 0 377.488 4.347 40 0 GIABRO CCN1CC[N@H+](Cc2ccccc2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527760 570998070 /nfs/dbraw/zinc/99/80/70/570998070.db2.gz HCTGDHXYBQFLNH-XMMPIXPASA-N 1 0 399.538 4.272 40 0 GIABRO Cc1cc(C)c(-n2cccn2)c(C[N@@H+](Cc2ccccn2)C[C@H]2CCCO2)c1 ZINC000019566889 571008034 /nfs/dbraw/zinc/00/80/34/571008034.db2.gz CQHBKYYXNGZONZ-JOCHJYFZSA-N 1 0 376.504 4.065 40 0 GIABRO Cc1cc(C[N@@H+](Cc2ccccn2)C[C@@H]2CCCO2)c(C)n1Cc1cccnc1 ZINC000019567507 571008505 /nfs/dbraw/zinc/00/85/05/571008505.db2.gz FBJLYHDQDQCFLV-DEOSSOPVSA-N 1 0 390.531 4.124 40 0 GIABRO Cc1cc(C(F)(F)F)c2c(n1)onc2C1CC[NH+](Cc2ccncc2)CC1 ZINC000019569133 571009279 /nfs/dbraw/zinc/00/92/79/571009279.db2.gz SMVDKXSTRYJLAI-UHFFFAOYSA-N 1 0 376.382 4.325 40 0 GIABRO Cc1noc(C)c1CCC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@H+]2C ZINC000019580781 571013119 /nfs/dbraw/zinc/01/31/19/571013119.db2.gz XEQQGKXGCWYCON-ZDXQCDESSA-N 1 0 395.547 4.093 40 0 GIABRO C[NH+](C)CCN(Cc1cccs1)Cc1coc2ccc(Cl)cc2c1=O ZINC000019582682 571014016 /nfs/dbraw/zinc/01/40/16/571014016.db2.gz MXCMFRVABZPBBH-UHFFFAOYSA-N 1 0 376.909 4.072 40 0 GIABRO COc1ccc(CC[N@@H+]2CC[C@@H](c3cc(COc4ccc(F)cc4)[nH]n3)C2)cc1 ZINC000019704585 818601827 /nfs/dbraw/zinc/60/18/27/818601827.db2.gz BTIWXYZNFFDVCB-GOSISDBHSA-N 1 0 395.478 4.168 40 0 GIABRO COc1ccccc1C(=O)N1CCCCC[C@H]2[NH2+][C@H](Cc3ccccc3)C[C@@H]21 ZINC000019712943 818603432 /nfs/dbraw/zinc/60/34/32/818603432.db2.gz HTJCTTZKRYPRQE-FCEUIQTBSA-N 1 0 378.516 4.053 40 0 GIABRO Cn1nc(-c2ccccc2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2C[NH2+]Cc1ccccc1 ZINC000035415777 821065195 /nfs/dbraw/zinc/06/51/95/821065195.db2.gz FMMDGQLGFNPEHH-ZRBLBEILSA-N 1 0 386.543 4.055 40 0 biogenic,in-vitro GIABRO CCCSc1nnc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)s1 ZINC000222582563 222610457 /nfs/dbraw/zinc/61/04/57/222610457.db2.gz KDTJNDBQYNGTLT-UHFFFAOYSA-N 1 0 390.578 4.199 40 0 GIABRO Cc1ccc(C)c(OCCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000224020593 222650470 /nfs/dbraw/zinc/65/04/70/222650470.db2.gz ZESVFJKMFRRWCS-UHFFFAOYSA-N 1 0 380.532 4.344 40 0 GIABRO CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225606684 222685818 /nfs/dbraw/zinc/68/58/18/222685818.db2.gz GCEOQXRIPTXWPQ-GCJKJVERSA-N 1 0 376.541 4.187 40 0 GIABRO CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225730414 222693148 /nfs/dbraw/zinc/69/31/48/222693148.db2.gz JKMRKYSZZNCFFN-AVRDEDQJSA-N 1 0 376.541 4.474 40 0 GIABRO CCOc1ccc(NC(=S)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000225772192 222696568 /nfs/dbraw/zinc/69/65/68/222696568.db2.gz TZXSGGILMAEIOU-UHFFFAOYSA-N 1 0 399.560 4.045 40 0 GIABRO CC[NH+](CC)CCOC(=O)Cc1cc(C)cc2c(=O)cc(-c3ccccc3)oc12 ZINC000001582684 212249859 /nfs/dbraw/zinc/24/98/59/212249859.db2.gz SFIYTPVSHXBPKV-UHFFFAOYSA-N 1 0 393.483 4.196 40 0 GIABRO COc1ccc2c(c1)CCN(c1cc(C(C)C)[nH+]c(NCc3ccccc3)n1)C2 ZINC000329024967 212094011 /nfs/dbraw/zinc/09/40/11/212094011.db2.gz PDWZZQDAODCHCF-UHFFFAOYSA-N 1 0 388.515 4.205 40 0 GIABRO CCNc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(C(C)C)[nH+]1 ZINC000328981611 212091620 /nfs/dbraw/zinc/09/16/20/212091620.db2.gz GUSUZHVLJPDXIM-UHFFFAOYSA-N 1 0 380.414 4.493 40 0 GIABRO CC[C@]1(c2ccc(-[n+]3c(C)cc(-c4ccccc4)cc3C)cc2)CCC(=O)NC1=O ZINC000006791334 220962595 /nfs/dbraw/zinc/96/25/95/220962595.db2.gz NSOWFYZXROQOAP-AREMUKBSSA-O 1 0 399.514 4.332 40 0 GIABRO COc1ccc(C[N@@H+](Cc2ccc3ncccc3c2)C[C@H]2CCCO2)cc1OC ZINC000012118239 221153364 /nfs/dbraw/zinc/15/33/64/221153364.db2.gz XUDLKAIHVPRQCZ-OAQYLSRUSA-N 1 0 392.499 4.433 40 0 GIABRO C[C@H](O)C[N@H+](Cc1cccn1-c1ccccc1Cl)Cc1ccc2c(c1)OCO2 ZINC000012147971 221159573 /nfs/dbraw/zinc/15/95/73/221159573.db2.gz ZPOIZHWEFJKJIW-INIZCTEOSA-N 1 0 398.890 4.242 40 0 GIABRO O[C@H](C[NH+]1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(Cl)cc1 ZINC000012292445 221175870 /nfs/dbraw/zinc/17/58/70/221175870.db2.gz XLBULTZRKIGZDU-GOSISDBHSA-N 1 0 399.840 4.376 40 0 GIABRO CC(C)(C)c1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1 ZINC000012293562 221175987 /nfs/dbraw/zinc/17/59/87/221175987.db2.gz LPIHUACXSTZTJA-FCHUYYIVSA-N 1 0 395.543 4.368 40 0 GIABRO CCCSc1ncc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cn1 ZINC000012345487 221183482 /nfs/dbraw/zinc/18/34/82/221183482.db2.gz ZDRURIFMOASTAJ-PMSBKCLSSA-N 1 0 387.524 4.132 40 0 GIABRO Cc1cc(-c2cnc(NCCC[NH+]3CCC(C)CC3)nc2-c2ccco2)on1 ZINC000012184312 221163783 /nfs/dbraw/zinc/16/37/83/221163783.db2.gz BWDMSBGIQXVKPX-UHFFFAOYSA-N 1 0 381.480 4.234 40 0 GIABRO Cc1cc(C)n(CC[NH2+]Cc2cc(-c3ccccc3)cnc2-c2ccncc2)n1 ZINC000012223000 221170644 /nfs/dbraw/zinc/17/06/44/221170644.db2.gz FSXAADAWBXOOOW-UHFFFAOYSA-N 1 0 383.499 4.414 40 0 GIABRO CC(C)(C)c1ccc(-c2cc(C[C@H]3C[NH2+]CC[C@H]3CC(=O)NC3CC3)no2)cc1 ZINC000015673718 221338345 /nfs/dbraw/zinc/33/83/45/221338345.db2.gz USNPHONKUBSKQF-ROUUACIJSA-N 1 0 395.547 4.076 40 0 biogenic,in-vitro GIABRO Cc1[nH]c2c(C)c(Cl)ccc2c(=O)c1C[NH+]1CCN(c2ccccc2)CC1 ZINC000017043271 221376144 /nfs/dbraw/zinc/37/61/44/221376144.db2.gz KTMQEJGFUMAZNM-UHFFFAOYSA-N 1 0 381.907 4.121 40 0 GIABRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 ZINC000019081902 221395820 /nfs/dbraw/zinc/39/58/20/221395820.db2.gz XGORMNGAWILSHX-DENIHFKCSA-N 1 0 395.547 4.206 40 0 GIABRO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000019081877 221396287 /nfs/dbraw/zinc/39/62/87/221396287.db2.gz KRKFTHKVXUPRMG-GHTZIAJQSA-N 1 0 383.511 4.336 40 0 GIABRO COc1ccccc1C[NH+]1CCC([C@H](NC(=O)C(C)(C)C)c2ccccn2)CC1 ZINC000019082076 221396616 /nfs/dbraw/zinc/39/66/16/221396616.db2.gz WVVUEROKQQGUQV-QFIPXVFZSA-N 1 0 395.547 4.206 40 0 GIABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000019082003 221396669 /nfs/dbraw/zinc/39/66/69/221396669.db2.gz BGTRSCPGTKDMPU-QFIPXVFZSA-N 1 0 379.548 4.240 40 0 GIABRO COc1cccc(C[NH+]2CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c1 ZINC000019082049 221396898 /nfs/dbraw/zinc/39/68/98/221396898.db2.gz LGEAGVZAWGWKMQ-QFIPXVFZSA-N 1 0 395.547 4.206 40 0 GIABRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccc(Br)cc1 ZINC000026895099 221648078 /nfs/dbraw/zinc/64/80/78/221648078.db2.gz XVOWKWVSFLHRFU-RTBURBONSA-N 1 0 388.305 4.228 40 0 GIABRO C[NH+](C)CCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000027789029 221659945 /nfs/dbraw/zinc/65/99/45/221659945.db2.gz JJQPVCIHPDGTPP-INIZCTEOSA-N 1 0 396.922 4.162 40 0 GIABRO COc1cc(C[NH2+][C@H](C)C(C)(C)C)ccc1OCC(=O)NC1CCCCC1 ZINC000036612606 221861157 /nfs/dbraw/zinc/86/11/57/221861157.db2.gz XGLGPZQWDLUBAJ-MRXNPFEDSA-N 1 0 376.541 4.047 40 0 GIABRO COc1cc2c(cc1OC)[C@H](C)[N@@H+]([C@@H]1CCCN(C/C=C/c3ccco3)C1)CC2 ZINC000072342497 222231637 /nfs/dbraw/zinc/23/16/37/222231637.db2.gz FSMFKTXHTIZVEI-WQHZJRCTSA-N 1 0 396.531 4.394 40 0 GIABRO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)n1 ZINC000072345896 222233053 /nfs/dbraw/zinc/23/30/53/222233053.db2.gz MUUINTFRLSSLBQ-QGZVFWFLSA-N 1 0 380.442 4.384 40 0 GIABRO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000072344783 222233323 /nfs/dbraw/zinc/23/33/23/222233323.db2.gz FNFCFXKZBPRWKP-OAQYLSRUSA-N 1 0 388.515 4.062 40 0 GIABRO COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCC[N@@H+]1CC(C)C ZINC000072370399 222240955 /nfs/dbraw/zinc/24/09/55/222240955.db2.gz TWWCVPQUHFCSSB-QGZVFWFLSA-N 1 0 388.577 4.331 40 0 GIABRO CCn1ncc(C[N@@H+]2CCC[C@H](c3cccc(Nc4ncccc4C)n3)C2)c1C ZINC000072376055 222242691 /nfs/dbraw/zinc/24/26/91/222242691.db2.gz OVBWOZOZSGZAGS-IBGZPJMESA-N 1 0 390.535 4.433 40 0 GIABRO Cc1cc(Nc2ncccn2)cc([C@@H]2CCCN(C(=O)CC3CCCC3)C2)[nH+]1 ZINC000072374923 222242776 /nfs/dbraw/zinc/24/27/76/222242776.db2.gz ABNZWVKQOAJMJI-GOSISDBHSA-N 1 0 379.508 4.210 40 0 GIABRO O=C(C[NH+]1CCC(c2ccc(Cc3ccccc3F)cn2)CC1)N1CCCCC1 ZINC000072374159 222243383 /nfs/dbraw/zinc/24/33/83/222243383.db2.gz NTHYTAOQGLSRNC-UHFFFAOYSA-N 1 0 395.522 4.003 40 0 GIABRO Cc1cc(N(C)C)cc(C2CCN(C(=O)c3cc4c(s3)CCCC4)CC2)[nH+]1 ZINC000072391705 222249150 /nfs/dbraw/zinc/24/91/50/222249150.db2.gz FRJCGKYXEXGCEU-UHFFFAOYSA-N 1 0 383.561 4.416 40 0 GIABRO CCOc1ccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)[C@H](c3cc[nH]n3)C2)cc1OC ZINC000072395567 222251767 /nfs/dbraw/zinc/25/17/67/222251767.db2.gz IFOLIJXFJXXADH-VQTJNVASSA-N 1 0 395.478 4.339 40 0 GIABRO [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095743880 222359673 /nfs/dbraw/zinc/35/96/73/222359673.db2.gz GHBGSKWVDCQDSR-IBGZPJMESA-N 1 0 384.479 4.321 40 0 GIABRO CN1CCn2c(-c3ccccc3)cnc2C12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096036984 222373632 /nfs/dbraw/zinc/37/36/32/222373632.db2.gz PDTCTYGTRNUOHZ-UHFFFAOYSA-N 1 0 390.506 4.126 40 0 GIABRO Fc1ccc(C[NH+]2CCC(c3nc4ccc(-c5ccncc5)cn4n3)CC2)cc1 ZINC000096038248 222374487 /nfs/dbraw/zinc/37/44/87/222374487.db2.gz SOQYXJLGFNFETM-UHFFFAOYSA-N 1 0 387.462 4.310 40 0 GIABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccoc3)CC2)c2ccccc21)NCC1CC1 ZINC000096052664 222374513 /nfs/dbraw/zinc/37/45/13/222374513.db2.gz MEWRKBKXKOMOJC-FQEVSTJZSA-N 1 0 378.516 4.217 40 0 GIABRO CC(C)NC(=O)C[C@@H]1CC2(CC[NH+](Cc3cccnc3)CC2)c2ccccc21 ZINC000096052631 222374727 /nfs/dbraw/zinc/37/47/27/222374727.db2.gz PEYCUHDHWAMSMY-HXUWFJFHSA-N 1 0 377.532 4.017 40 0 GIABRO FC(F)(F)c1cccc(-c2nc(Cl)cc(NCCC3CC[NH2+]CC3)n2)c1 ZINC000329038677 570214124 /nfs/dbraw/zinc/21/41/24/570214124.db2.gz RUGJZHICDLBFQJ-UHFFFAOYSA-N 1 0 384.833 4.039 40 0 GIABRO Cc1cc(Nc2cc(C(F)(F)F)nc(NCCC[NH+](C)C)n2)ccc1C(C)C ZINC000329043134 570214907 /nfs/dbraw/zinc/21/49/07/570214907.db2.gz SRVRWDDTPKJOCZ-UHFFFAOYSA-N 1 0 395.473 4.456 40 0 GIABRO O=C(Nc1ccc(N2CCCC2)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000096625613 570231744 /nfs/dbraw/zinc/23/17/44/570231744.db2.gz UJXDDBOJXNNPPR-UHFFFAOYSA-N 1 0 381.495 4.277 40 0 GIABRO CCOC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c(Cl)c1 ZINC000020035579 570236158 /nfs/dbraw/zinc/23/61/58/570236158.db2.gz JKDLELHKIRLVTF-UHFFFAOYSA-N 1 0 386.879 4.365 40 0 GIABRO Cc1cc(OC[C@@]2(O)CCC[N@H+](Cc3ccc(O)cc3)C2)cc(C)c1Cl ZINC000585272738 570242463 /nfs/dbraw/zinc/24/24/63/570242463.db2.gz JGONUXSLVRSJJS-OAQYLSRUSA-N 1 0 375.896 4.068 40 0 GIABRO CO[C@H]1CC[C@H](C(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCC[N@@H+]3C)CC1 ZINC000100745740 570276229 /nfs/dbraw/zinc/27/62/29/570276229.db2.gz UFCLHBIXECGMGI-PFDCGNQRSA-N 1 0 384.564 4.061 40 0 GIABRO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000022133959 570306488 /nfs/dbraw/zinc/30/64/88/570306488.db2.gz KEURUDOIFSKUJR-FQEVSTJZSA-N 1 0 378.863 4.455 40 0 GIABRO O=C(Nc1ccccc1)N1C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)[C@H]2C1 ZINC000107798591 570311121 /nfs/dbraw/zinc/31/11/21/570311121.db2.gz OLHPGDQMWKWTJM-QAPCUYQASA-N 1 0 375.394 4.054 40 0 GIABRO CC(C)[N@@H+]1CCCC[C@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216483 570317353 /nfs/dbraw/zinc/31/73/53/570317353.db2.gz MLJWHPLJPZLZBJ-IBGZPJMESA-N 1 0 388.556 4.074 40 0 GIABRO CC[NH+](CC)CCNCc1cc(Cl)c(OCc2cccs2)c(OC)c1 ZINC000022107624 570325618 /nfs/dbraw/zinc/32/56/18/570325618.db2.gz WQTZBRIPMVUCHT-UHFFFAOYSA-N 1 0 382.957 4.421 40 0 GIABRO COc1ccc(OCCc2cc([C@@H]3CC[N@H+](Cc4ccc(F)cc4)C3)[nH]n2)cc1 ZINC000072371213 570339881 /nfs/dbraw/zinc/33/98/81/570339881.db2.gz GLHHNVNGMAPBES-GOSISDBHSA-N 1 0 395.478 4.168 40 0 GIABRO Fc1ccc(OCCc2cc([C@@H]3CC[N@H+](CCc4ccccc4)C3)[nH]n2)cc1 ZINC000072371230 570340296 /nfs/dbraw/zinc/34/02/96/570340296.db2.gz JUIOYFSHPMGNLH-LJQANCHMSA-N 1 0 379.479 4.202 40 0 GIABRO O=C(CSCc1ccc(F)cc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000024181852 570380109 /nfs/dbraw/zinc/38/01/09/570380109.db2.gz RNJSGRCVWJLPHW-UHFFFAOYSA-N 1 0 386.536 4.361 40 0 GIABRO O=C(C[C@@H]1CC[NH2+]C[C@H]1F)Nc1nc(C2CC2)c(Cc2ccc(F)cc2)s1 ZINC000685938978 570398631 /nfs/dbraw/zinc/39/86/31/570398631.db2.gz PHAQBQSJYZAIJZ-GOEBONIOSA-N 1 0 391.487 4.027 40 0 GIABRO CCN(CC)CC(=O)Nc1sc2c(c1C(=O)c1ccc(C)cc1)CCCC2 ZINC000004847595 570412021 /nfs/dbraw/zinc/41/20/21/570412021.db2.gz STMKFMYDAOMJEJ-UHFFFAOYSA-N 1 0 384.545 4.447 40 0 GIABRO CCC(=O)O[C@@]1(c2ccccc2)CC[N@H+](CC[C@H](O)c2ccccc2)C[C@@H]1C ZINC000005046330 570425978 /nfs/dbraw/zinc/42/59/78/570425978.db2.gz SBMJPZHWBMSWKU-APTRMMRNSA-N 1 0 381.516 4.301 40 0 GIABRO CCOP(=O)(OCC)[C@H]1CCC[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]12 ZINC000005395555 570437553 /nfs/dbraw/zinc/43/75/53/570437553.db2.gz UEELLPKZJAUWGO-RBUKOAKNSA-N 1 0 383.425 4.032 40 0 GIABRO O=C(Nc1cccc(Br)c1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039761672 570445711 /nfs/dbraw/zinc/44/57/11/570445711.db2.gz ZWFPQMXJLGUCHE-UHFFFAOYSA-N 1 0 391.284 4.439 40 0 GIABRO O=C(NCCSc1ccccc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039767749 570446156 /nfs/dbraw/zinc/44/61/56/570446156.db2.gz CPIFUKSHDZXTIZ-UHFFFAOYSA-N 1 0 388.964 4.461 40 0 GIABRO O=C(NCCSC1CCCCC1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039758573 570449338 /nfs/dbraw/zinc/44/93/38/570449338.db2.gz OUZDUCISSZYNLN-UHFFFAOYSA-N 1 0 378.557 4.220 40 0 GIABRO OCCN(CCO)c1cc(/C=C\c2cccc3ccccc23)[nH+]c2ccccc21 ZINC000005640793 570449820 /nfs/dbraw/zinc/44/98/20/570449820.db2.gz GKEOPYUPGSLKFP-SEYXRHQNSA-N 1 0 384.479 4.349 40 0 GIABRO CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)cc1 ZINC000005675233 570450997 /nfs/dbraw/zinc/45/09/97/570450997.db2.gz NYQYXHSJVXWTDY-LJQANCHMSA-N 1 0 395.547 4.360 40 0 GIABRO CC[N@@H+]1CC[C@@](O)(c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000005807731 570457450 /nfs/dbraw/zinc/45/74/50/570457450.db2.gz LFQIXZHWOHBULT-AZUAARDMSA-N 1 0 378.299 4.406 40 0 GIABRO CC(C)(C)c1ccccc1OCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000223716867 570481037 /nfs/dbraw/zinc/48/10/37/570481037.db2.gz WGMHMHOXNNKCNJ-UHFFFAOYSA-N 1 0 394.559 4.391 40 0 GIABRO Cc1c(C)n(C[C@H](O)C[N@@H+](C)Cc2ccc(OCCF)cc2)c2ccccc12 ZINC000257251637 570488127 /nfs/dbraw/zinc/48/81/27/570488127.db2.gz JRNVTLLDHPWTRA-HXUWFJFHSA-N 1 0 384.495 4.099 40 0 GIABRO Cc1ccc(C(C)C)c(OCC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000032399082 570510328 /nfs/dbraw/zinc/51/03/28/570510328.db2.gz HCMIFFCEPHTAQJ-UHFFFAOYSA-N 1 0 380.532 4.062 40 0 GIABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCOc3ccc(C)c(C)c3)CC2)c1 ZINC000224529598 570516711 /nfs/dbraw/zinc/51/67/11/570516711.db2.gz ZQQGHLXHNFEABG-UHFFFAOYSA-N 1 0 380.532 4.019 40 0 GIABRO CCCc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000224553766 570518114 /nfs/dbraw/zinc/51/81/14/570518114.db2.gz ZLVQQORDYINBPJ-UHFFFAOYSA-N 1 0 398.522 4.185 40 0 GIABRO CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224685926 570524332 /nfs/dbraw/zinc/52/43/32/570524332.db2.gz YBUAUQXBWPBWJU-HSZRJFAPSA-N 1 0 380.532 4.455 40 0 GIABRO CC[C@H](Oc1ccccc1F)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224685849 570524365 /nfs/dbraw/zinc/52/43/65/570524365.db2.gz XEEJBKJDQHKRCV-NRFANRHFSA-N 1 0 384.495 4.285 40 0 GIABRO CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224788468 570530781 /nfs/dbraw/zinc/53/07/81/570530781.db2.gz MAXKERHAHKVGSX-QFIPXVFZSA-N 1 0 380.532 4.373 40 0 GIABRO CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224836828 570533248 /nfs/dbraw/zinc/53/32/48/570533248.db2.gz BPPDSOMBSPDVSZ-QHCPKHFHSA-N 1 0 380.532 4.455 40 0 GIABRO COc1ccc(CN(Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000036740492 570569350 /nfs/dbraw/zinc/56/93/50/570569350.db2.gz WFJNBKYKCRMOFA-UHFFFAOYSA-N 1 0 397.563 4.410 40 0 GIABRO O=C(NCCSc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038836483 570587088 /nfs/dbraw/zinc/58/70/88/570587088.db2.gz CUTUEUVPDWELPQ-SFHVURJKSA-N 1 0 388.964 4.461 40 0 GIABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cc(C(=O)OC)ccc1Cl ZINC000225582639 570590736 /nfs/dbraw/zinc/59/07/36/570590736.db2.gz LGLUZFHKWPENAG-OAHLLOKOSA-N 1 0 397.972 4.068 40 0 GIABRO C[C@H]1CCC[N@H+](CCOc2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)C1 ZINC000225589936 570591868 /nfs/dbraw/zinc/59/18/68/570591868.db2.gz VGXPSCHHYXVIJR-LBPRGKRZSA-N 1 0 379.715 4.106 40 0 GIABRO CCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225612240 570593870 /nfs/dbraw/zinc/59/38/70/570593870.db2.gz FPZXERFFMVDAOV-PGRDOPGGSA-N 1 0 376.541 4.474 40 0 GIABRO CO[C@]1(C(=O)Nc2ccc(OCCC[NH+]3CCCCC3)cc2)CCC[C@@H](C)C1 ZINC000225636333 570596942 /nfs/dbraw/zinc/59/69/42/570596942.db2.gz FMZGUASSJJPGDG-AUSIDOKSSA-N 1 0 388.552 4.475 40 0 GIABRO COc1cc(C)c(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1C(C)C ZINC000225668242 570600506 /nfs/dbraw/zinc/60/05/06/570600506.db2.gz AHNPTDLUGKHUMV-UHFFFAOYSA-N 1 0 380.532 4.305 40 0 GIABRO C[NH+](C)CCCN(C(=O)COc1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000004188858 570621993 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Cc1nc2ccccn2c1C[N@H+]1CCC[C@@H]1c1cc(-c2cnn(C)c2)cc(C)n1 ZINC000019691004 571029222 /nfs/dbraw/zinc/02/92/22/571029222.db2.gz OEOFTIFPVLGYOQ-OAQYLSRUSA-N 1 0 386.503 4.084 40 0 GIABRO Cn1nccc1C[N@@H+]1CCC[C@@H](c2ccc(Cc3ccc(Cl)cc3)cn2)C1 ZINC000019690294 571029258 /nfs/dbraw/zinc/02/92/58/571029258.db2.gz XQRMUGNBMJEVSI-LJQANCHMSA-N 1 0 380.923 4.439 40 0 GIABRO Cc1cc(Cc2cccc(F)c2)cc(C2CC[NH+](Cc3cnn(C)c3)CC2)n1 ZINC000019691596 571029640 /nfs/dbraw/zinc/02/96/40/571029640.db2.gz FSJTUPPDNVYFTJ-UHFFFAOYSA-N 1 0 378.495 4.233 40 0 GIABRO O=c1ccc(-c2ccccc2F)c2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccc(F)cc2)C1 ZINC000020503415 575369910 /nfs/dbraw/zinc/36/99/10/575369910.db2.gz JNGKQOAORCQCPA-ZWKOTPCHSA-N 1 0 392.449 4.413 40 0 biogenic,in-vitro GIABRO COc1ccccc1-c1ccccc1C[N@@H+]1CCCC[C@@H]2[C@H]1CCN2C(C)=O ZINC000019712534 818602479 /nfs/dbraw/zinc/60/24/79/818602479.db2.gz PJPHIZIQDJAVCO-DHIUTWEWSA-N 1 0 378.516 4.338 40 0 GIABRO Cc1ccccc1OCC[N@@H+]1CC[C@@H]2[C@H]1CCCC(=O)N2Cc1ccccc1 ZINC000019713125 818603410 /nfs/dbraw/zinc/60/34/10/818603410.db2.gz BUGVHMWRINBGID-FGZHOGPDSA-N 1 0 378.516 4.029 40 0 GIABRO O=C1N(Cc2ccc(F)cc2)CC=CCC12CC[NH+](CCc1ccccc1)CC2 ZINC000019744755 818604069 /nfs/dbraw/zinc/60/40/69/818604069.db2.gz XPIFQCZSXXCQGA-UHFFFAOYSA-N 1 0 392.518 4.439 40 0 GIABRO CNc1cc(CN(C)Cc2ccc(-c3ccccc3)cc2)nc([C@H]2CCC[NH2+]2)n1 ZINC000019759814 818605154 /nfs/dbraw/zinc/60/51/54/818605154.db2.gz TZJWMVIPVWSXTI-JOCHJYFZSA-N 1 0 387.531 4.242 40 0 GIABRO Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000044852666 821672895 /nfs/dbraw/zinc/67/28/95/821672895.db2.gz JNUPAPYDKZPHKK-AZUAARDMSA-N 1 0 380.532 4.424 40 0 GIABRO COc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000044933149 821682221 /nfs/dbraw/zinc/68/22/21/821682221.db2.gz TULIAJBVIRCGBA-APWZRJJASA-N 1 0 386.923 4.438 40 0 GIABRO Cc1nc2ccc(Cl)cn2c1C[NH2+]CC1(c2ccccc2F)CCOCC1 ZINC000057832321 230939743 /nfs/dbraw/zinc/93/97/43/230939743.db2.gz BNLPISNGOKDEFE-UHFFFAOYSA-N 1 0 387.886 4.273 40 0 GIABRO O=C(N1CCC[C@H]([N@@H+]2CCc3ccccc3C2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000408604740 231076198 /nfs/dbraw/zinc/07/61/98/231076198.db2.gz DWSJNMYCEHPLMS-SBTPEUDISA-N 1 0 378.560 4.252 40 0 GIABRO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cc[nH+]cc2)N1c1ccccc1 ZINC000224156622 222650775 /nfs/dbraw/zinc/65/07/75/222650775.db2.gz MEBBFNUFVFVTDQ-FGZHOGPDSA-N 1 0 397.507 4.444 40 0 GIABRO CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224791616 222662537 /nfs/dbraw/zinc/66/25/37/222662537.db2.gz QURBZVSACQHSPW-OAQYLSRUSA-N 1 0 386.923 4.410 40 0 GIABRO COc1ccc(CSCC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000224807486 222664433 /nfs/dbraw/zinc/66/44/33/222664433.db2.gz YLFRKJDMSCATNA-UHFFFAOYSA-N 1 0 398.572 4.231 40 0 GIABRO CC(C)(Br)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225595163 222685349 /nfs/dbraw/zinc/68/53/49/222685349.db2.gz LQOVUHKASUANHE-UHFFFAOYSA-N 1 0 397.357 4.444 40 0 GIABRO COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000225615564 222686805 /nfs/dbraw/zinc/68/68/05/222686805.db2.gz TUTGLYNZDDBUEW-UHFFFAOYSA-N 1 0 378.557 4.433 40 0 GIABRO CC[N@H+](C[C@H](O)COCCOC12CC3CC(CC(C3)C1)C2)C1CCCCC1 ZINC000226072406 222704559 /nfs/dbraw/zinc/70/45/59/222704559.db2.gz RDMZABSFBLMXRE-BSCKTTFPSA-N 1 0 379.585 4.004 40 0 GIABRO Cc1cc(N2CCc3ccc(Br)cc3C2)nc(NC2CCCC2)[nH+]1 ZINC000329065486 212094859 /nfs/dbraw/zinc/09/48/59/212094859.db2.gz XSFYEGNPNAQLDU-UHFFFAOYSA-N 1 0 387.325 4.465 40 0 GIABRO O=C(COc1ccc(Cl)cc1Cl)NCc1ccccc1C[NH+]1CCCC1 ZINC000008011558 221023656 /nfs/dbraw/zinc/02/36/56/221023656.db2.gz VAGSWSUZGLFMFY-UHFFFAOYSA-N 1 0 393.314 4.284 40 0 GIABRO Cc1ncc(C[N@@H+]2[C@@H]3CC[C@@H](C3)[C@@H]2COc2cccc(C(F)(F)F)c2)cn1 ZINC000012085324 221147683 /nfs/dbraw/zinc/14/76/83/221147683.db2.gz NCTYQIORPXTQPL-WDYCEAGBSA-N 1 0 377.410 4.236 40 0 GIABRO CCOCc1cc(C[NH+]2CCC(c3cc4cccnc4[nH]3)CC2)ccc1OC ZINC000012133393 221157862 /nfs/dbraw/zinc/15/78/62/221157862.db2.gz GPFKJRZSBHIEEF-UHFFFAOYSA-N 1 0 379.504 4.488 40 0 GIABRO COc1ccccc1C1(O)CC[NH+](C[C@H](O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000012292270 221175337 /nfs/dbraw/zinc/17/53/37/221175337.db2.gz NFKJCWGYZJEMCH-NRFANRHFSA-N 1 0 383.532 4.010 40 0 GIABRO O[C@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc2ccccc2c1 ZINC000012293574 221176352 /nfs/dbraw/zinc/17/63/52/221176352.db2.gz GOQSFCPKIPESES-DHIUTWEWSA-N 1 0 389.495 4.224 40 0 GIABRO Cc1nccc(-c2ccc(-c3noc(C[N@H+]4C[C@@H]5CCCC[C@@H]5C4)n3)cc2)n1 ZINC000012337171 221182496 /nfs/dbraw/zinc/18/24/96/221182496.db2.gz BKXCANRFTVQIGA-KDURUIRLSA-N 1 0 375.476 4.124 40 0 GIABRO OC1(c2ccc(F)cc2)CC[NH+](Cc2ccccc2OCc2ccccn2)CC1 ZINC000012363566 221185499 /nfs/dbraw/zinc/18/54/99/221185499.db2.gz WTFAAIYVAXTOJE-UHFFFAOYSA-N 1 0 392.474 4.283 40 0 GIABRO Cc1cc(C)n(C[C@@H](O)C[N@H+](Cc2ccco2)Cc2cccc3ccccc32)n1 ZINC000012185928 221164479 /nfs/dbraw/zinc/16/44/79/221164479.db2.gz KQSXBJBFQACXKI-QFIPXVFZSA-N 1 0 389.499 4.309 40 0 GIABRO CC[C@H](C[NH+]1CCCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 ZINC000012239835 221171436 /nfs/dbraw/zinc/17/14/36/221171436.db2.gz UNGUNQZVTACLJX-LJQANCHMSA-N 1 0 385.577 4.350 40 0 GIABRO CC1CC[NH+](CCCNc2ncc(-c3cnccn3)c(-c3cccs3)n2)CC1 ZINC000012240096 221171969 /nfs/dbraw/zinc/17/19/69/221171969.db2.gz KALQFKCUSDLROJ-UHFFFAOYSA-N 1 0 394.548 4.196 40 0 GIABRO CC[C@H](C[NH+]1CCCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(F)cc1 ZINC000012239764 221172102 /nfs/dbraw/zinc/17/21/02/221172102.db2.gz MCWAVATYKZWPLG-GOSISDBHSA-N 1 0 389.540 4.181 40 0 GIABRO CCOc1cc(CN(Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)ccc1O ZINC000013992630 221295603 /nfs/dbraw/zinc/29/56/03/221295603.db2.gz VXHNWIKREQZVPS-UHFFFAOYSA-N 1 0 397.563 4.497 40 0 GIABRO Cc1cc(C(F)(F)F)n2nc([C@@H]3CC[N@H+](Cc4cccc(F)c4)C3)cc2n1 ZINC000019117114 221397060 /nfs/dbraw/zinc/39/70/60/221397060.db2.gz VDJDQYVPBVCIKA-CQSZACIVSA-N 1 0 378.373 4.185 40 0 GIABRO C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000024182129 221610063 /nfs/dbraw/zinc/61/00/63/221610063.db2.gz GZVPYAXDXQSLEC-KRWDZBQOSA-N 1 0 386.923 4.410 40 0 GIABRO CN(Cc1cc(C[C@@H]2C[C@H]([NH2+]C3CCOCC3)C2(C)C)no1)c1ccccc1 ZINC000067890150 222165607 /nfs/dbraw/zinc/16/56/07/222165607.db2.gz RILNMANHCQQVGH-VGSWGCGISA-N 1 0 383.536 4.037 40 0 biogenic,in-vitro GIABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)C1CCC1 ZINC000072330563 222228949 /nfs/dbraw/zinc/22/89/49/222228949.db2.gz IXYRYDKJMXXDGB-AVRDEDQJSA-N 1 0 399.485 4.229 40 0 GIABRO COc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H](NC(=O)CC(C)C)c2ccccn2)C1 ZINC000072330379 222229106 /nfs/dbraw/zinc/22/91/06/222229106.db2.gz OWBSAKCTQZGDKT-HYBUGGRVSA-N 1 0 395.547 4.206 40 0 GIABRO Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCC[N@H+](Cc3ccccc3)C2)on1 ZINC000072342824 222231160 /nfs/dbraw/zinc/23/11/60/222231160.db2.gz SPNAPAYKTSFRQG-IBGZPJMESA-N 1 0 387.487 4.381 40 0 GIABRO Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072345958 222232975 /nfs/dbraw/zinc/23/29/75/222232975.db2.gz KKUVOENTSZDNIY-KRWDZBQOSA-N 1 0 379.895 4.154 40 0 GIABRO Nc1cc(-c2c[nH]nc2[C@H]2CCCC[N@@H+]2CCCOc2ccccc2)ccn1 ZINC000072357473 222238820 /nfs/dbraw/zinc/23/88/20/222238820.db2.gz WGLLKSRQVLCWNG-HXUWFJFHSA-N 1 0 377.492 4.050 40 0 GIABRO CCC[N@@H+]1CCCC[C@@H]1Cc1c2ccccc2sc1C(=O)N1CCOCC1 ZINC000072370385 222241458 /nfs/dbraw/zinc/24/14/58/222241458.db2.gz ZIGRCXZZBWYNDO-QGZVFWFLSA-N 1 0 386.561 4.181 40 0 GIABRO CCn1ncc(C[N@@H+]2CCC[C@H]2c2cccc(Nc3ncccc3C)n2)c1C ZINC000072375400 222242383 /nfs/dbraw/zinc/24/23/83/222242383.db2.gz OFXUILIYIULMSY-FQEVSTJZSA-N 1 0 376.508 4.391 40 0 GIABRO CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+](CC(C)(C)C)C1 ZINC000072395963 222251252 /nfs/dbraw/zinc/25/12/52/222251252.db2.gz OUPMLVKPFXMLHH-HSZRJFAPSA-N 1 0 383.536 4.149 40 0 GIABRO CN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+](C2CCCCC2)C1 ZINC000072395921 222251717 /nfs/dbraw/zinc/25/17/17/222251717.db2.gz AFLPQMDSNDMVSP-XMMPIXPASA-N 1 0 395.547 4.387 40 0 GIABRO CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+](C2CCCC2)C1 ZINC000072395914 222252135 /nfs/dbraw/zinc/25/21/35/222252135.db2.gz WMNKQLBFWFEHDB-QHCPKHFHSA-N 1 0 381.520 4.045 40 0 GIABRO CC(C)(C)OC(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(Br)c1 ZINC000089212757 222327348 /nfs/dbraw/zinc/32/73/48/222327348.db2.gz LSPYZKHPNHTEIH-INIZCTEOSA-N 1 0 383.330 4.328 40 0 GIABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccco3)CC2)c2ccccc21)NC1CCC1 ZINC000096052740 222374076 /nfs/dbraw/zinc/37/40/76/222374076.db2.gz KSAWVFJFLNCKQG-SFHVURJKSA-N 1 0 378.516 4.360 40 0 GIABRO CNC(=O)C[C@H]1CC2(CC[NH+](Cc3ccc(C)s3)CC2)Oc2ccccc21 ZINC000096053255 222375528 /nfs/dbraw/zinc/37/55/28/222375528.db2.gz JZKXRUGGLBOYMN-KRWDZBQOSA-N 1 0 384.545 4.094 40 0 GIABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccsc3)CC2)c2ccccc21)NC1CC1 ZINC000096052973 222375570 /nfs/dbraw/zinc/37/55/70/222375570.db2.gz XFXHJHKDGXEZGZ-GOSISDBHSA-N 1 0 380.557 4.438 40 0 GIABRO CC(C)[C@H]([NH2+]Cc1ccc(F)cc1)c1cc(=O)n2nc(-c3ccccn3)cc2[nH]1 ZINC000100744441 519820899 /nfs/dbraw/zinc/82/08/99/519820899.db2.gz KKOCJOVNNHYTFI-QFIPXVFZSA-N 1 0 391.450 4.123 40 0 GIABRO C[C@@]1(O)CC[N@H+](Cc2ccccc2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 ZINC000514288883 560033809 /nfs/dbraw/zinc/03/38/09/560033809.db2.gz CSLNAJFOWGBPAD-QNWVGRARSA-N 1 0 398.572 4.121 40 0 biogenic,in-vitro GIABRO Cc1nc(-c2ccco2)cc([C@H]2CN3CC[C@H]2C[C@@H]3C[NH2+]Cc2ccccc2)n1 ZINC000035415866 560081358 /nfs/dbraw/zinc/08/13/58/560081358.db2.gz OCZDHSMOAFGDEB-HBMCJLEFSA-N 1 0 388.515 4.013 40 0 biogenic,in-vitro GIABRO CC[C@H](C)Nc1cc(N2CCc3cc(C(=O)OC)ccc3C2)nc(C(C)C)[nH+]1 ZINC000329068016 570216388 /nfs/dbraw/zinc/21/63/88/570216388.db2.gz YMKSBLQEXMQKMQ-HNNXBMFYSA-N 1 0 382.508 4.160 40 0 GIABRO Cc1nc([C@@H]2CCCC[N@H+]2CC(C)C)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019764913 570217352 /nfs/dbraw/zinc/21/73/52/570217352.db2.gz QNMGCMQJVITXDI-FQEVSTJZSA-N 1 0 384.499 4.037 40 0 GIABRO Cc1cnc(Nc2cncc(C3CC[NH+](Cc4ccccc4Cl)CC3)n2)s1 ZINC000585262723 570230193 /nfs/dbraw/zinc/23/01/93/570230193.db2.gz YWMSPIGJJDBGRL-UHFFFAOYSA-N 1 0 399.951 4.440 40 0 GIABRO OCC[NH+]1CCC(c2ccnc(Nc3ncc(-c4ccccc4)s3)c2)CC1 ZINC000585263219 570231739 /nfs/dbraw/zinc/23/17/39/570231739.db2.gz PYGKQBQIIYWLMJ-UHFFFAOYSA-N 1 0 380.517 4.120 40 0 GIABRO C[NH+]1CCN([C@H](c2c3ccccc3n(O)c2-c2ccccc2)c2ccccn2)CC1 ZINC000020192845 570246621 /nfs/dbraw/zinc/24/66/21/570246621.db2.gz KSPPFVMBFSONKS-VWLOTQADSA-N 1 0 398.510 4.277 40 0 GIABRO CC(=O)N1CCCC[C@@H]2[N@H+](C[C@@]3(O)CC[C@H](C(C)(C)C)CC3)CCC[C@@]21C ZINC000585282793 570250978 /nfs/dbraw/zinc/25/09/78/570250978.db2.gz HYFTYIFHWAHTTC-BAMDZGJYSA-N 1 0 378.601 4.209 40 0 GIABRO O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000585289180 570257379 /nfs/dbraw/zinc/25/73/79/570257379.db2.gz NIZOCPBKUXEDON-IPMKNSEASA-N 1 0 383.385 4.295 40 0 GIABRO O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1[NH2+]CCc1ccccc1Cl ZINC000585290613 570258648 /nfs/dbraw/zinc/25/86/48/570258648.db2.gz YOPAMNJXSRXGST-XUVXKRRUSA-N 1 0 380.315 4.487 40 0 GIABRO Cc1cccc(OC[C@]2(O)COCC[N@@H+]([C@H]3CC[C@H](c4ccccc4)CC3)C2)c1 ZINC000585287791 570259068 /nfs/dbraw/zinc/25/90/68/570259068.db2.gz RUOMLCIQWFCIAF-VDKIKQQVSA-N 1 0 395.543 4.164 40 0 GIABRO CC[NH+](CC)CCNCc1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000022074697 570321164 /nfs/dbraw/zinc/32/11/64/570321164.db2.gz LHQONVYIHMDREL-UHFFFAOYSA-N 1 0 376.928 4.359 40 0 GIABRO Cc1sc2[nH]c([C@H](C)[NH2+][C@@H](C)c3ccc(-n4ccnc4)cc3)nc(=O)c2c1C ZINC000023873326 570333660 /nfs/dbraw/zinc/33/36/60/570333660.db2.gz OPNKHZPGILHODS-KBPBESRZSA-N 1 0 393.516 4.199 40 0 GIABRO CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000072358356 570339470 /nfs/dbraw/zinc/33/94/70/570339470.db2.gz CEOBGZWEAMDOFQ-OAQYLSRUSA-N 1 0 386.499 4.482 40 0 GIABRO Fc1ccccc1OCCc1cc([C@@H]2CC[N@H+](CCc3ccccc3)C2)[nH]n1 ZINC000072371232 570339804 /nfs/dbraw/zinc/33/98/04/570339804.db2.gz AXKZRKDADXLYHU-LJQANCHMSA-N 1 0 379.479 4.202 40 0 GIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCCN(C)c3ccccc3)cc2)C1 ZINC000219242867 570350321 /nfs/dbraw/zinc/35/03/21/570350321.db2.gz JVGKDHQSODIWAZ-HXUWFJFHSA-N 1 0 379.548 4.175 40 0 GIABRO CCCCOc1ccc(OCCCCC[NH+]2CCN(C(=O)OCC)CC2)cc1 ZINC000004429339 570375092 /nfs/dbraw/zinc/37/50/92/570375092.db2.gz NXYDDCBVMAOAGA-UHFFFAOYSA-N 1 0 392.540 4.189 40 0 GIABRO COC(=O)c1cn(C(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)c2ccccc12 ZINC000222624804 570417334 /nfs/dbraw/zinc/41/73/34/570417334.db2.gz DIQLBPGOJWSHCM-UHFFFAOYSA-N 1 0 390.483 4.289 40 0 GIABRO CCn1c(COc2cccc3ccccc32)nnc1SCC[NH+]1CCCC1 ZINC000004936931 570418972 /nfs/dbraw/zinc/41/89/72/570418972.db2.gz JBLKHXMIKCEJAX-UHFFFAOYSA-N 1 0 382.533 4.218 40 0 GIABRO C[C@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000222704883 570421577 /nfs/dbraw/zinc/42/15/77/570421577.db2.gz SUFAUDLRFHVIEM-SFHVURJKSA-N 1 0 394.515 4.181 40 0 GIABRO C[NH+](C)CCCN1c2ccccc2C[C@H](C(=O)N2CCCC2)c2ccccc21 ZINC000005333817 570434225 /nfs/dbraw/zinc/43/42/25/570434225.db2.gz IQLXIBNFEKHNNT-NRFANRHFSA-N 1 0 377.532 4.039 40 0 GIABRO C[NH+](C)CCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000027789032 570442582 /nfs/dbraw/zinc/44/25/82/570442582.db2.gz JJQPVCIHPDGTPP-MRXNPFEDSA-N 1 0 396.922 4.162 40 0 GIABRO CC(C)c1ccccc1OCCNC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000223794030 570485344 /nfs/dbraw/zinc/48/53/44/570485344.db2.gz MNXCIKLTVLPLCW-UHFFFAOYSA-N 1 0 398.522 4.356 40 0 GIABRO Cc1ccc(OCCCC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000030551652 570491529 /nfs/dbraw/zinc/49/15/29/570491529.db2.gz LQDNYYZKAXGVMD-UHFFFAOYSA-N 1 0 380.532 4.456 40 0 GIABRO Cc1cc(C)cc(OCCNC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000224088909 570497984 /nfs/dbraw/zinc/49/79/84/570497984.db2.gz OQKDRKOLBZTRCN-GOSISDBHSA-N 1 0 380.532 4.344 40 0 GIABRO CCCc1ccc(OCCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000224096265 570498395 /nfs/dbraw/zinc/49/83/95/570498395.db2.gz MUGDSBSCTVLGOR-UHFFFAOYSA-N 1 0 380.532 4.434 40 0 GIABRO CCCCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000030943306 570501481 /nfs/dbraw/zinc/50/14/81/570501481.db2.gz WDBAPNMCEWDVTE-NRFANRHFSA-N 1 0 394.515 4.494 40 0 GIABRO O=C(NCc1ccccc1C[NH+]1CCCCC1)C1(c2ccccc2)CCOCC1 ZINC000032800501 570514038 /nfs/dbraw/zinc/51/40/38/570514038.db2.gz RQPAXLIJPLXEQE-UHFFFAOYSA-N 1 0 392.543 4.037 40 0 GIABRO CC(C)(C)c1ccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000224525987 570516401 /nfs/dbraw/zinc/51/64/01/570516401.db2.gz FHDKAOBTCOHHIH-UHFFFAOYSA-N 1 0 394.559 4.391 40 0 GIABRO O=S(=O)(NCc1cccc(C[NH+]2CCCC2)c1)c1cc(Cl)ccc1Cl ZINC000224609203 570520463 /nfs/dbraw/zinc/52/04/63/570520463.db2.gz FYIFFTHUGPTZQF-UHFFFAOYSA-N 1 0 399.343 4.068 40 0 GIABRO Cc1cc(O[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)ccc1Cl ZINC000224635963 570521536 /nfs/dbraw/zinc/52/15/36/570521536.db2.gz USKPINSHKDNZAC-KRWDZBQOSA-N 1 0 386.923 4.328 40 0 GIABRO CC[C@@H](Oc1ccccc1OC)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224685676 570524541 /nfs/dbraw/zinc/52/45/41/570524541.db2.gz FQQNZCRAKCKIQZ-OAQYLSRUSA-N 1 0 396.531 4.155 40 0 GIABRO O=C(COc1ccc2c(c1)CCCC2)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224698992 570525646 /nfs/dbraw/zinc/52/56/46/570525646.db2.gz NNUGBGNJFHGDGG-UHFFFAOYSA-N 1 0 392.543 4.247 40 0 GIABRO CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224787918 570530904 /nfs/dbraw/zinc/53/09/04/570530904.db2.gz JYGDJVIMEHGPSP-QHCPKHFHSA-N 1 0 380.532 4.373 40 0 GIABRO CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224787664 570530975 /nfs/dbraw/zinc/53/09/75/570530975.db2.gz BBOCFWQYODEGBO-OAQYLSRUSA-N 1 0 386.923 4.410 40 0 GIABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(N3CCCC3)cc2)CC1 ZINC000224926317 570538283 /nfs/dbraw/zinc/53/82/83/570538283.db2.gz QLGQDJPXEOAULA-UHFFFAOYSA-N 1 0 377.532 4.446 40 0 GIABRO CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010327385 570568956 /nfs/dbraw/zinc/56/89/56/570568956.db2.gz BWPMAEWPULZQRC-UHFFFAOYSA-N 1 0 379.504 4.017 40 0 GIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccc(-n4ccnc4)cc3)cc2)C1 ZINC000038753807 570581780 /nfs/dbraw/zinc/58/17/80/570581780.db2.gz HCAUKQUHKVFOQZ-LJQANCHMSA-N 1 0 388.515 4.034 40 0 GIABRO CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225606768 570593181 /nfs/dbraw/zinc/59/31/81/570593181.db2.gz RRLNRSHAVANTEW-AVRDEDQJSA-N 1 0 376.541 4.330 40 0 GIABRO CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000225622763 570595752 /nfs/dbraw/zinc/59/57/52/570595752.db2.gz YFAJEDPUKLLQKO-QFIPXVFZSA-N 1 0 376.541 4.475 40 0 GIABRO CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225692848 570604199 /nfs/dbraw/zinc/60/41/99/570604199.db2.gz VPZJWYBMVHSAOQ-PGRDOPGGSA-N 1 0 376.541 4.474 40 0 GIABRO CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000225744826 570612408 /nfs/dbraw/zinc/61/24/08/570612408.db2.gz HUBJBAJQSRWVJF-QFIPXVFZSA-N 1 0 376.541 4.475 40 0 GIABRO CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000225744799 570612563 /nfs/dbraw/zinc/61/25/63/570612563.db2.gz HUBJBAJQSRWVJF-JOCHJYFZSA-N 1 0 376.541 4.475 40 0 GIABRO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCc2cc(Br)ccc21 ZINC000225901006 570632322 /nfs/dbraw/zinc/63/23/22/570632322.db2.gz CSVHLTMVDRATQG-GOSISDBHSA-N 1 0 399.332 4.250 40 0 GIABRO S=C(Nc1ccc(Cl)cc1Cl)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000044222027 570632761 /nfs/dbraw/zinc/63/27/61/570632761.db2.gz QYYZLIPHOFMVLU-UHFFFAOYSA-N 1 0 395.359 4.339 40 0 GIABRO Cc1ccc(OC[C@H](C)NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000044852971 570636290 /nfs/dbraw/zinc/63/62/90/570636290.db2.gz DVRLEVCPUZHKIO-FQEVSTJZSA-N 1 0 380.532 4.424 40 0 GIABRO CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872964 570637690 /nfs/dbraw/zinc/63/76/90/570637690.db2.gz LWRAKJHFCNVDKD-QFIPXVFZSA-N 1 0 380.532 4.373 40 0 GIABRO CCOC(=O)c1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1C ZINC000044911647 570642104 /nfs/dbraw/zinc/64/21/04/570642104.db2.gz YJUZXEOCOPHGDG-SFHVURJKSA-N 1 0 398.478 4.162 40 0 GIABRO Cc1ccc(OCCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044908822 570642478 /nfs/dbraw/zinc/64/24/78/570642478.db2.gz VNNYBRXSIKTEHM-IBGZPJMESA-N 1 0 386.923 4.056 40 0 GIABRO O=C(c1cc2sccc2n1Cc1ccccc1)N1CC[NH+](C2CCCC2)CC1 ZINC000004971007 570654985 /nfs/dbraw/zinc/65/49/85/570654985.db2.gz LPQCEEQVCOVPJT-UHFFFAOYSA-N 1 0 393.556 4.452 40 0 GIABRO CCO[C@@](C)(CC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260818215 570708598 /nfs/dbraw/zinc/70/85/98/570708598.db2.gz XXOMUBTYGMDQDR-AVRDEDQJSA-N 1 0 376.541 4.331 40 0 GIABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+]CCc3ccc(OC)cc3)o2)cc1 ZINC000007520256 570760117 /nfs/dbraw/zinc/76/01/17/570760117.db2.gz VNQDFYPTTRYNME-UHFFFAOYSA-N 1 0 379.456 4.464 40 0 GIABRO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000257231224 570765018 /nfs/dbraw/zinc/76/50/18/570765018.db2.gz GFVQGBYOYBJJDG-NRFANRHFSA-N 1 0 394.563 4.442 40 0 GIABRO COc1cccc(C[NH+]2CCC(c3cncc(Nc4ncccc4C)n3)CC2)c1 ZINC000257234185 570766061 /nfs/dbraw/zinc/76/60/61/570766061.db2.gz GSMUHHAHZGHDGK-UHFFFAOYSA-N 1 0 389.503 4.312 40 0 GIABRO C[N@@H+]1CCCC[C@@H]2N(C(=O)c3ccnc(Cc4ccccc4F)c3)CCC[C@@]21C ZINC000257245704 570769523 /nfs/dbraw/zinc/76/95/23/570769523.db2.gz IQRGXUHVHXUSSN-UPVQGACJSA-N 1 0 395.522 4.291 40 0 GIABRO O=C(C[NH+]1CCCC1)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 ZINC000257245822 570769568 /nfs/dbraw/zinc/76/95/68/570769568.db2.gz IRFIMEVQURLOLG-IBGZPJMESA-N 1 0 387.911 4.068 40 0 GIABRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000013681318 570773305 /nfs/dbraw/zinc/77/33/05/570773305.db2.gz BUIJASHHHNRYMX-UHFFFAOYSA-N 1 0 397.950 4.288 40 0 GIABRO C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(O)c(C(=O)NCCCn3ccnc3)ccc1OC2(C)C ZINC000257286837 570775944 /nfs/dbraw/zinc/77/59/44/570775944.db2.gz PNHHMYFJMADNBR-KBAYOESNSA-N 1 0 397.519 4.100 40 0 GIABRO C[C@@]12C[C@H]3CN(C(=O)c4cc(-c5ccccc5Cl)no4)[C@@H]1CCCC[C@@H]2[NH2+]3 ZINC000257305347 570778975 /nfs/dbraw/zinc/77/89/75/570778975.db2.gz SPORQSUIDQHZLG-KZCJGOGDSA-N 1 0 385.895 4.130 40 0 GIABRO CN(C)C(=O)c1sc2nc([C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)ccc2c1N ZINC000257344040 570785052 /nfs/dbraw/zinc/78/50/52/570785052.db2.gz ZVNBRCXFPPOOKL-KRWDZBQOSA-N 1 0 398.507 4.057 40 0 GIABRO O=C(c1ccc(O)cc1)N1CCC[C@@]2(CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000585100554 570924599 /nfs/dbraw/zinc/92/45/99/570924599.db2.gz NHNBLCAPIJHUMT-HSZRJFAPSA-N 1 0 382.479 4.192 40 0 GIABRO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1)c1ccccn1 ZINC000019400324 570925279 /nfs/dbraw/zinc/92/52/79/570925279.db2.gz SLQWNPMMVOQJQU-BJLQDIEVSA-N 1 0 396.560 4.078 40 0 GIABRO Cc1cccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccc(F)cc4)C2)OC3)c1 ZINC000306125431 570936302 /nfs/dbraw/zinc/93/63/02/570936302.db2.gz CQPAMJDHTGFXDH-QHCPKHFHSA-N 1 0 377.463 4.173 40 0 GIABRO Cc1cccc(C[N@H+]2CCN(C)[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)c1 ZINC000306127388 570937378 /nfs/dbraw/zinc/93/73/78/570937378.db2.gz FXJNXBMDWFWDKI-XMMPIXPASA-N 1 0 397.526 4.193 40 0 GIABRO Fc1ccccc1-c1cnc2nnc(C3CC[NH+](Cc4ccsc4)CC3)n2c1 ZINC000306130725 570939306 /nfs/dbraw/zinc/93/93/06/570939306.db2.gz JOBOJAIUUMTCJB-UHFFFAOYSA-N 1 0 393.491 4.372 40 0 GIABRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cc1 ZINC000306133819 570941038 /nfs/dbraw/zinc/94/10/38/570941038.db2.gz MXANRQJGKAVFFZ-HXUWFJFHSA-N 1 0 387.462 4.310 40 0 GIABRO O=C1C[C@H]2[C@H](CC[N@@H+]2CC2CCCCC2)N1Cc1ccc(OC(F)F)cc1 ZINC000585109080 570941052 /nfs/dbraw/zinc/94/10/52/570941052.db2.gz SLHMJLOQTMMPML-OALUTQOASA-N 1 0 378.463 4.044 40 0 GIABRO Clc1cccc(C[N@@H+]2CC[C@]3(CN(Cc4cccnc4)c4cccnc43)C2)c1 ZINC000306134464 570941452 /nfs/dbraw/zinc/94/14/52/570941452.db2.gz NOKTUTBOWGBUJM-HSZRJFAPSA-N 1 0 390.918 4.294 40 0 GIABRO Fc1ccc(C[NH+]2CCC(c3nnc4ccc(-c5ccccc5)nn43)CC2)cc1 ZINC000306136907 570942855 /nfs/dbraw/zinc/94/28/55/570942855.db2.gz QGJCVTRLFIKMKK-UHFFFAOYSA-N 1 0 387.462 4.310 40 0 GIABRO Cc1ccsc1C[N@H+](CCCN1CCOCC1)Cc1cccc(Cl)c1 ZINC000019238579 570967936 /nfs/dbraw/zinc/96/79/36/570967936.db2.gz CEZIHGPNBIIJJH-UHFFFAOYSA-N 1 0 378.969 4.434 40 0 GIABRO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)NC1CCC2(CC2(F)F)CC1 ZINC000660515931 570973182 /nfs/dbraw/zinc/97/31/82/570973182.db2.gz ZWCQCUDBJQGESK-MDCZIUGASA-N 1 0 397.535 4.227 40 0 GIABRO O=c1[nH]c2c(cc1C[NH2+]C1CCCC1)c(-c1ccccc1)nn2-c1ccccc1 ZINC000019373978 570981550 /nfs/dbraw/zinc/98/15/50/570981550.db2.gz QKCSEBGQSHIFRL-UHFFFAOYSA-N 1 0 384.483 4.413 40 0 GIABRO O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000019401597 570982951 /nfs/dbraw/zinc/98/29/51/570982951.db2.gz HSJBNFIRQNEHMC-YKSBVNFPSA-N 1 0 392.547 4.126 40 0 GIABRO COc1ccccc1/C=C/C[NH+]1CCC2(CC1)OCCc1cnc(C(C)C)nc12 ZINC000019454237 570986556 /nfs/dbraw/zinc/98/65/56/570986556.db2.gz PSROKMSYSWWVSW-SOFGYWHQSA-N 1 0 393.531 4.186 40 0 GIABRO CCOc1ccc(C[NH+]2CCC(c3cc4ncc(C)nc4[nH]3)CC2)cc1OC ZINC000019533758 570999721 /nfs/dbraw/zinc/99/97/21/570999721.db2.gz UZJLKQQLWHCZQB-UHFFFAOYSA-N 1 0 380.492 4.053 40 0 GIABRO COc1ccc(NC(=O)c2cc(C3CC[NH+](C4CCCC4)CC3)no2)c(OC)c1 ZINC000019552571 571001944 /nfs/dbraw/zinc/00/19/44/571001944.db2.gz DSSDABQPUAXGQS-UHFFFAOYSA-N 1 0 399.491 4.066 40 0 GIABRO C[NH+](C)CC[C@H](NC(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1)c1ccccc1 ZINC000019662340 571026172 /nfs/dbraw/zinc/02/61/72/571026172.db2.gz WMWJGZXHWGCJGT-HNNXBMFYSA-N 1 0 390.409 4.005 40 0 GIABRO Cn1cc(C[NH+]2CCC(c3ccc(Cc4cccc(Cl)c4)cn3)CC2)cn1 ZINC000019690488 571029307 /nfs/dbraw/zinc/02/93/07/571029307.db2.gz OIWBKNUJGLVQMO-UHFFFAOYSA-N 1 0 380.923 4.439 40 0 GIABRO O=C1[C@@H](C2CC[NH+](Cc3ccncc3)CC2)CCCCN1Cc1ccccc1 ZINC000019703723 571031383 /nfs/dbraw/zinc/03/13/83/571031383.db2.gz DVGQSGFASROHEF-HSZRJFAPSA-N 1 0 377.532 4.123 40 0 GIABRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC(Cn2ccnc2C)CC1 ZINC000019715473 571037269 /nfs/dbraw/zinc/03/72/69/571037269.db2.gz NUIWJHBZUTVZTC-UHFFFAOYSA-N 1 0 381.499 4.045 40 0 GIABRO CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000019700150 818600036 /nfs/dbraw/zinc/60/00/36/818600036.db2.gz MGRBMVURILFHSV-UHFFFAOYSA-N 1 0 399.538 4.320 40 0 GIABRO CC(C)Oc1ccc(C[N@@H+]2CC[C@@H](c3c4cccnc4sc3C(N)=O)C2)cc1 ZINC000019702565 818600686 /nfs/dbraw/zinc/60/06/86/818600686.db2.gz BJZHYLHWVKQVBK-MRXNPFEDSA-N 1 0 395.528 4.172 40 0 GIABRO Cc1nc([C@H]2CCC[N@@H+]2CCc2ccccc2)ncc1C(=O)Nc1ccccc1 ZINC000019755355 818604900 /nfs/dbraw/zinc/60/49/00/818604900.db2.gz WDZKQUMWPPXCPT-JOCHJYFZSA-N 1 0 386.499 4.417 40 0 GIABRO O[C@@]1(c2ccc(F)cc2)CN(c2cccc(C(F)(F)F)c2)C2=[N+]1CCCCC2 ZINC000027525080 820255969 /nfs/dbraw/zinc/25/59/69/820255969.db2.gz ZWRMZSPSNKUCRY-HXUWFJFHSA-N 1 0 393.404 4.495 40 0 GIABRO CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000224515635 222657325 /nfs/dbraw/zinc/65/73/25/222657325.db2.gz PJOPGWGSHOJSEQ-JOCHJYFZSA-N 1 0 380.532 4.373 40 0 GIABRO CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224837087 222663608 /nfs/dbraw/zinc/66/36/08/222663608.db2.gz VGMGDXNZDJELQV-JOCHJYFZSA-N 1 0 384.495 4.285 40 0 GIABRO CO[C@@]1(C(=O)Nc2ccc(OCC[NH+]3CCCCCC3)cc2)CCC[C@H](C)C1 ZINC000225635823 222687247 /nfs/dbraw/zinc/68/72/47/222687247.db2.gz DFDOHNHZJXGLHW-CVDCTZTESA-N 1 0 388.552 4.475 40 0 GIABRO CCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225693050 222690229 /nfs/dbraw/zinc/69/02/29/222690229.db2.gz YOLADYCROIFUPV-QFIPXVFZSA-N 1 0 376.541 4.475 40 0 GIABRO CCCOC(C)(C)C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000225727536 222693216 /nfs/dbraw/zinc/69/32/16/222693216.db2.gz XLGJQDNVIMJJJR-UHFFFAOYSA-N 1 0 376.541 4.331 40 0 GIABRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000001664912 212252248 /nfs/dbraw/zinc/25/22/48/212252248.db2.gz FNVGFAUPZCPJLV-UHFFFAOYSA-N 1 0 389.883 4.483 40 0 GIABRO Cn1ccc2ccc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@@H]56)[C@H]43)cc21 ZINC000257198790 212140608 /nfs/dbraw/zinc/14/06/08/212140608.db2.gz IGUKVIWLZAHKCK-KHUIQGCPSA-N 1 0 389.543 4.214 40 0 GIABRO Cn1ccc2cc(C(=O)N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@H]43)ccc21 ZINC000257198573 212140094 /nfs/dbraw/zinc/14/00/94/212140094.db2.gz CNRGJYDKCFDOQL-SCDRESIJSA-N 1 0 389.543 4.214 40 0 GIABRO Cc1ccc(OC[C@H](O)C[N@H+](CCc2ccccc2)Cc2ccccc2)cc1 ZINC000027666041 212107183 /nfs/dbraw/zinc/10/71/83/212107183.db2.gz ANPLYRGZQFFSJB-XMMPIXPASA-N 1 0 375.512 4.480 40 0 GIABRO CC(C)Nc1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc(C(C)C)[nH+]1 ZINC000328955946 212090794 /nfs/dbraw/zinc/09/07/94/212090794.db2.gz AEXMOJDGUZINCH-UHFFFAOYSA-N 1 0 394.441 4.304 40 0 GIABRO Cc1nc(NC(=[NH2+])Nc2cccc3ccccc32)[nH]c(=O)c1Cc1ccccc1 ZINC000010156510 221098020 /nfs/dbraw/zinc/09/80/20/221098020.db2.gz SIDFCPAKGJLDJP-UHFFFAOYSA-N 1 0 383.455 4.281 40 0 GIABRO C[C@@H](O)C[N@H+](Cc1cccn1-c1ccccc1Cl)Cc1ccc2c(c1)OCO2 ZINC000012147970 221159718 /nfs/dbraw/zinc/15/97/18/221159718.db2.gz ZPOIZHWEFJKJIW-MRXNPFEDSA-N 1 0 398.890 4.242 40 0 GIABRO CCn1cc(CC(=O)NC2CC[NH+](Cc3cccc(F)c3)CC2)c2ccccc21 ZINC000012148620 221160338 /nfs/dbraw/zinc/16/03/38/221160338.db2.gz UVMONQGUFMMCFT-UHFFFAOYSA-N 1 0 393.506 4.124 40 0 GIABRO Cc1cccc(C2(O)CC[NH+](C[C@H](O)c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000012292350 221175305 /nfs/dbraw/zinc/17/53/05/221175305.db2.gz BIECZTODQHHJKI-IBGZPJMESA-N 1 0 380.315 4.319 40 0 GIABRO Cc1ccc(C2(O)CC[NH+](Cc3cccc(Oc4ncccn4)c3)CC2)cc1 ZINC000012328451 221182225 /nfs/dbraw/zinc/18/22/25/221182225.db2.gz IPBZGSWQPYFWMX-UHFFFAOYSA-N 1 0 375.472 4.061 40 0 GIABRO NC(=O)CCn1cc(C[NH2+]C2(c3ccccc3F)CCCC2)c2ccccc21 ZINC000012328389 221182332 /nfs/dbraw/zinc/18/23/32/221182332.db2.gz IHIPBIKMQYHLNK-UHFFFAOYSA-N 1 0 379.479 4.215 40 0 GIABRO Cc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC1)O2 ZINC000012329807 221183200 /nfs/dbraw/zinc/18/32/00/221183200.db2.gz PNAIPXYJYHICDW-WOJBJXKFSA-N 1 0 387.907 4.033 40 0 GIABRO CCCOc1ccccc1C[NH+]1CCC(NC(C)=O)(c2ccccc2F)CC1 ZINC000012344764 221183659 /nfs/dbraw/zinc/18/36/59/221183659.db2.gz OSBMAXLGTFFVSQ-UHFFFAOYSA-N 1 0 384.495 4.242 40 0 GIABRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1C ZINC000012362790 221185173 /nfs/dbraw/zinc/18/51/73/221185173.db2.gz VFGUTDBZVZHMLM-GOSISDBHSA-N 1 0 385.577 4.268 40 0 GIABRO Cc1cc(-c2cnc(NCCC[N@H+]3CCC[C@H](C)C3)nc2-c2ccco2)on1 ZINC000012184357 221164127 /nfs/dbraw/zinc/16/41/27/221164127.db2.gz JDADIFANMDHFMD-HNNXBMFYSA-N 1 0 381.480 4.234 40 0 GIABRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(Cl)cc1 ZINC000012362775 221185591 /nfs/dbraw/zinc/18/55/91/221185591.db2.gz OKYBAYHMFJGHKB-KRWDZBQOSA-N 1 0 391.968 4.305 40 0 GIABRO O=C(NC1CC[NH+](C[C@@H](c2ccccc2)C2CCCCC2)CC1)[C@H]1CCCO1 ZINC000012188799 221165672 /nfs/dbraw/zinc/16/56/72/221165672.db2.gz FQKNNQQPTGBZMT-XZOQPEGZSA-N 1 0 384.564 4.110 40 0 GIABRO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 ZINC000012219345 221169733 /nfs/dbraw/zinc/16/97/33/221169733.db2.gz CVVJZVZWYOATCE-IUYQLWOBSA-N 1 0 383.446 4.345 40 0 GIABRO COc1ccc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2ccc4ncccc4c2)C3)cc1 ZINC000012238589 221171760 /nfs/dbraw/zinc/17/17/60/221171760.db2.gz OMUYKDLYCQMJGF-OFFJZUQKSA-N 1 0 388.511 4.363 40 0 GIABRO CCOc1cc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)ccc1OC ZINC000013994444 221295630 /nfs/dbraw/zinc/29/56/30/221295630.db2.gz ZGQSLJAJEXXVJO-IBGZPJMESA-N 1 0 399.487 4.004 40 0 GIABRO C[N@@H+]1CCC[C@H]1CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O ZINC000015657729 221337121 /nfs/dbraw/zinc/33/71/21/221337121.db2.gz HNLNXYUSMGCHFW-SFHVURJKSA-N 1 0 381.907 4.125 40 0 GIABRO O[C@@H]1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)[N@H+](CC2CCCCC2)C1 ZINC000015674146 221338736 /nfs/dbraw/zinc/33/87/36/221338736.db2.gz FWUWDMPAAYQFAK-SJORKVTESA-N 1 0 395.425 4.443 40 0 biogenic,in-vitro GIABRO COc1ccc(/C=C/C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1OC ZINC000016506490 221364450 /nfs/dbraw/zinc/36/44/50/221364450.db2.gz QKRZUUWVKIYONG-ACCUITESSA-N 1 0 394.515 4.019 40 0 GIABRO CC(C)(C)c1[nH]c2ncccc2c1C[NH+]1CCC(O)(c2ccccc2F)CC1 ZINC000019083445 221396554 /nfs/dbraw/zinc/39/65/54/221396554.db2.gz BFVLAQVRVAUSGZ-UHFFFAOYSA-N 1 0 381.495 4.483 40 0 GIABRO CC[C@@H](Oc1cccc2ccccc21)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000030860387 221704264 /nfs/dbraw/zinc/70/42/64/221704264.db2.gz RJKRJCCYEZXSMZ-XQBPLPMBSA-N 1 0 382.548 4.481 40 0 GIABRO CCOC(=O)c1ccc(C)c(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000044911864 221958544 /nfs/dbraw/zinc/95/85/44/221958544.db2.gz XKIUDYJZBJQIMJ-UHFFFAOYSA-N 1 0 380.488 4.022 40 0 GIABRO CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875340 221954495 /nfs/dbraw/zinc/95/44/95/221954495.db2.gz VXOABRKFCJEXBN-QHCPKHFHSA-N 1 0 396.531 4.155 40 0 GIABRO COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C[NH+]3CCCC3)cc1)CC(C)(C)O2 ZINC000044855559 221955142 /nfs/dbraw/zinc/95/51/42/221955142.db2.gz PCKYEHDVUWOCHN-NRFANRHFSA-N 1 0 394.515 4.323 40 0 GIABRO CC(C)c1ccc(OCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000044874991 221955677 /nfs/dbraw/zinc/95/56/77/221955677.db2.gz RKXWLRHSIRZABL-UHFFFAOYSA-N 1 0 380.532 4.491 40 0 GIABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)C1CCC1 ZINC000072330561 222228741 /nfs/dbraw/zinc/22/87/41/222228741.db2.gz HKHIBFGKJVGZOA-AVRDEDQJSA-N 1 0 399.485 4.229 40 0 GIABRO Cn1cc(C[N@@H+]2CCC[C@H](c3cccc(Cc4ccc(Cl)cc4)n3)C2)cn1 ZINC000072349989 222236452 /nfs/dbraw/zinc/23/64/52/222236452.db2.gz YBNHBYYVIIZBEF-IBGZPJMESA-N 1 0 380.923 4.439 40 0 GIABRO CCc1ncc(C[N@@H+]2CCC[C@H](c3cccc(-c4ccc(OC)cc4)n3)C2)cn1 ZINC000072350251 222236588 /nfs/dbraw/zinc/23/65/88/222236588.db2.gz RZAUYLRRJJOYJW-FQEVSTJZSA-N 1 0 388.515 4.489 40 0 GIABRO O=C(c1ccc(Cl)cc1)N1CC[N@@H+](C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355073 222238980 /nfs/dbraw/zinc/23/89/80/222238980.db2.gz NBNKAJQNIJRXFX-GOSISDBHSA-N 1 0 397.950 4.294 40 0 GIABRO COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000072370400 222241123 /nfs/dbraw/zinc/24/11/23/222241123.db2.gz TWWCVPQUHFCSSB-KRWDZBQOSA-N 1 0 388.577 4.331 40 0 GIABRO Fc1cccc(OCCc2cc([C@@H]3CC[N@H+](CCc4ccccc4)C3)[nH]n2)c1 ZINC000072371234 222241956 /nfs/dbraw/zinc/24/19/56/222241956.db2.gz RMQMPKDALSDACQ-LJQANCHMSA-N 1 0 379.479 4.202 40 0 GIABRO COc1ccc(C[N@@H+]2CCC[C@H]2c2cncc(-n3ccnc3C(C)C)n2)cc1 ZINC000072378691 222244861 /nfs/dbraw/zinc/24/48/61/222244861.db2.gz MOVYXBMSJSYPMJ-FQEVSTJZSA-N 1 0 377.492 4.131 40 0 GIABRO CCNC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[N@H+](CC(C)C)C1 ZINC000072395931 222251074 /nfs/dbraw/zinc/25/10/74/222251074.db2.gz QUELUMYWQABQNQ-HSZRJFAPSA-N 1 0 383.536 4.067 40 0 GIABRO CC(C)(C)OC(=O)N1CCC(C[NH2+]Cc2cccc(Br)c2)CC1 ZINC000089212583 222327378 /nfs/dbraw/zinc/32/73/78/222327378.db2.gz FHBZNOLHSXVEAJ-UHFFFAOYSA-N 1 0 383.330 4.186 40 0 GIABRO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CCc2cccc(Br)c2)C1 ZINC000089212702 222327897 /nfs/dbraw/zinc/32/78/97/222327897.db2.gz CSHJYYSHANKJGI-MRXNPFEDSA-N 1 0 397.357 4.228 40 0 GIABRO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(Br)cc2)C1 ZINC000089212690 222328209 /nfs/dbraw/zinc/32/82/09/222328209.db2.gz JYKVEPHZPGIOHW-OAHLLOKOSA-N 1 0 383.330 4.186 40 0 GIABRO CN(C)C(=O)C[C@H]1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000096052710 222374155 /nfs/dbraw/zinc/37/41/55/222374155.db2.gz FLNUUHCBDDQJTF-IBGZPJMESA-N 1 0 380.507 4.325 40 0 GIABRO COc1ccc2[nH]c([C@H]3CC[N@H+](Cc4cccc(OC(F)(F)F)c4)C3)nc2c1 ZINC000035446818 560079245 /nfs/dbraw/zinc/07/92/45/560079245.db2.gz CDRJTOZNLOESDJ-AWEZNQCLSA-N 1 0 391.393 4.460 40 0 biogenic,in-vitro GIABRO Cc1nc([C@H]2CC[N@@H+](C3CCCC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753198 570215884 /nfs/dbraw/zinc/21/58/84/570215884.db2.gz XPVGGVANSCSHTQ-HNNXBMFYSA-N 1 0 384.911 4.423 40 0 GIABRO Cc1nc(-c2ccccc2)nc2c1COC[C@]21CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000096244650 570224091 /nfs/dbraw/zinc/22/40/91/570224091.db2.gz FFQYJHNMSVHZMR-XMMPIXPASA-N 1 0 389.474 4.265 40 0 GIABRO Cc1ccccc1OC[C@@]1(O)COCC[N@@H+]([C@H]2CC[C@H](C(C)(C)C)CC2)C1 ZINC000585284884 570254423 /nfs/dbraw/zinc/25/44/23/570254423.db2.gz AMEUOGJLGCQYEC-JTAQYXEDSA-N 1 0 375.553 4.042 40 0 GIABRO CC(C)(C)[C@H]1CC[C@H]([N@@H+]2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)CC1 ZINC000585285968 570255085 /nfs/dbraw/zinc/25/50/85/570255085.db2.gz GAXRBSGJPHZOKG-BPXKWBHBSA-N 1 0 397.506 4.012 40 0 GIABRO O=C(NCCC[NH+]1CCCCCC1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000020454708 570258673 /nfs/dbraw/zinc/25/86/73/570258673.db2.gz BAQIVSDVMCGLMN-UHFFFAOYSA-N 1 0 391.559 4.245 40 0 GIABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+][C@H](C)[C@@H](O)c3ccccc3)o2)cc1 ZINC000022076232 570320552 /nfs/dbraw/zinc/32/05/52/570320552.db2.gz ZIVQDTQJVZJMLV-OPAMFIHVSA-N 1 0 379.456 4.335 40 0 GIABRO C[C@@H](O)C[NH2+]CCNCc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000022075223 570321580 /nfs/dbraw/zinc/32/15/80/570321580.db2.gz FHEROJKPWBCFSN-QGZVFWFLSA-N 1 0 398.934 4.132 40 0 GIABRO CC(C)C[N@@H+]1CCN(CCCOC(=O)Nc2cccc3ccccc32)C[C@H]1C ZINC000022584725 570322322 /nfs/dbraw/zinc/32/23/22/570322322.db2.gz OQIXGFCGZSJOEY-LJQANCHMSA-N 1 0 383.536 4.441 40 0 GIABRO CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]Cc3cccs3)cc12 ZINC000026440734 570380629 /nfs/dbraw/zinc/38/06/29/570380629.db2.gz PVHPAKYFOMHANS-UHFFFAOYSA-N 1 0 392.528 4.363 40 0 GIABRO CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3cc[nH+]cc3)N21 ZINC000222675598 570420188 /nfs/dbraw/zinc/42/01/88/570420188.db2.gz ZGSPHXYXFCIADS-UIAACRFSSA-N 1 0 375.501 4.247 40 0 GIABRO C[C@@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc2c(c1)OCCO2 ZINC000222704971 570421660 /nfs/dbraw/zinc/42/16/60/570421660.db2.gz OZVUNZKRAHOCCF-QZTJIDSGSA-N 1 0 394.515 4.181 40 0 GIABRO Cc1cccc(CSCC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000222748457 570423754 /nfs/dbraw/zinc/42/37/54/570423754.db2.gz CQMFQKFUPPAJHU-UHFFFAOYSA-N 1 0 384.545 4.340 40 0 GIABRO COc1ccc(-c2nnc(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)s2)cc1 ZINC000223004344 570436727 /nfs/dbraw/zinc/43/67/27/570436727.db2.gz DFMUBVPYYGFEKC-UHFFFAOYSA-N 1 0 394.500 4.062 40 0 GIABRO COc1ccc(OC)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000223672050 570477957 /nfs/dbraw/zinc/47/79/57/570477957.db2.gz HLVIJFKHSMZDAV-SFHVURJKSA-N 1 0 396.531 4.102 40 0 GIABRO CCCNC(=O)c1ccccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000030939569 570501439 /nfs/dbraw/zinc/50/14/39/570501439.db2.gz NCDPLUSLJCGCOM-GOSISDBHSA-N 1 0 393.531 4.311 40 0 GIABRO CCn1c(CNc2ccccc2Cl)nnc1SCC[NH+]1CCCCC1 ZINC000000900368 570514305 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GIABRO Cc1ccc(C)c(O[C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000224832376 570533238 /nfs/dbraw/zinc/53/32/38/570533238.db2.gz NFGDCWCPVOZFTJ-HXUWFJFHSA-N 1 0 380.532 4.373 40 0 GIABRO Cc1ccc(O[C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)c(C)c1 ZINC000224840454 570533305 /nfs/dbraw/zinc/53/33/05/570533305.db2.gz NOJPXPRYQRRYFV-HXUWFJFHSA-N 1 0 380.532 4.373 40 0 GIABRO O=C(Cc1ccc(-c2ccccc2)cc1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000224981728 570541544 /nfs/dbraw/zinc/54/15/44/570541544.db2.gz NHQPPTLFSJUFBC-UHFFFAOYSA-N 1 0 384.523 4.461 40 0 GIABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(OC)c(C)c1 ZINC000225016846 570543766 /nfs/dbraw/zinc/54/37/66/570543766.db2.gz WWEKGSCXPZHOEI-JOCHJYFZSA-N 1 0 380.532 4.483 40 0 GIABRO COc1ccc(OC)c(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000038834757 570586316 /nfs/dbraw/zinc/58/63/16/570586316.db2.gz IWKQOKOKKGNCML-MRXNPFEDSA-N 1 0 388.895 4.208 40 0 GIABRO COc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1OC ZINC000038834942 570586324 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4.290 40 0 GIABRO Cc1cc(C)nc(Nc2cncc(C3CC[NH+](CCc4ccccc4)CC3)n2)n1 ZINC000257298753 570778153 /nfs/dbraw/zinc/77/81/53/570778153.db2.gz RNDVLVUHOHHJST-UHFFFAOYSA-N 1 0 388.519 4.049 40 0 GIABRO COc1cccc(C[N@@H+]2CC=CC[C@H](C(=O)NCc3ccc(C)cc3)[C@H]2C)c1 ZINC000257302074 570778265 /nfs/dbraw/zinc/77/82/65/570778265.db2.gz SBIHRRQIUDKXPI-XXBNENTESA-N 1 0 378.516 4.087 40 0 GIABRO CC(=O)N1CCCCC[C@@H]2[N@H+](Cc3coc(C)n3)[C@H](c3ccccc3)C[C@@]21C ZINC000257307515 570779010 /nfs/dbraw/zinc/77/90/10/570779010.db2.gz SYZFYAIGUFRGFC-VABKMULXSA-N 1 0 381.520 4.480 40 0 GIABRO CC(=O)Nc1cc(CCC2CC[NH+](Cc3ccc4ncccc4c3)CC2)ccn1 ZINC000257343096 570784616 /nfs/dbraw/zinc/78/46/16/570784616.db2.gz ZRMFBMUZDDUPCQ-UHFFFAOYSA-N 1 0 388.515 4.433 40 0 GIABRO Cc1ccc(CC(=O)NC[C@H]2CC[C@H]([C@H](c3ccccn3)[NH+](C)C)CC2)cc1 ZINC000257219849 570890092 /nfs/dbraw/zinc/89/00/92/570890092.db2.gz DILLVVLYHKUSGS-PQNGQFLHSA-N 1 0 379.548 4.158 40 0 GIABRO Fc1cccc(-c2ccc3nc([C@H]4CCC[N@H+](Cc5ccccn5)C4)nn3c2)c1 ZINC000306123770 570935884 /nfs/dbraw/zinc/93/58/84/570935884.db2.gz AWGPQXFGLHRZKN-IBGZPJMESA-N 1 0 387.462 4.310 40 0 GIABRO COc1ccc(-c2cnc3n2C[C@@H]2C[N@@H+](Cc4cccc(F)c4)C[C@@H]2C3)cc1 ZINC000306125555 570936894 /nfs/dbraw/zinc/93/68/94/570936894.db2.gz CTTOWBRNCXUOFD-OALUTQOASA-N 1 0 377.463 4.002 40 0 GIABRO COCCn1cnc2c1C1(CC[NH+](Cc3cccs3)CC1)Oc1ccccc1-2 ZINC000306131986 570940304 /nfs/dbraw/zinc/94/03/04/570940304.db2.gz KUZSQAHGWBEZHF-UHFFFAOYSA-N 1 0 395.528 4.142 40 0 GIABRO Fc1ccccc1-c1ccc2nnc(C3CC[NH+](Cc4cccs4)CC3)n2n1 ZINC000306133822 570940872 /nfs/dbraw/zinc/94/08/72/570940872.db2.gz MXEHIJWKIGLBNW-UHFFFAOYSA-N 1 0 393.491 4.372 40 0 GIABRO COCCn1cnc2c1C1(CC[NH+](Cc3ccsc3)CC1)Oc1ccccc1-2 ZINC000306133455 570940921 /nfs/dbraw/zinc/94/09/21/570940921.db2.gz MLYKKONBFOUYJG-UHFFFAOYSA-N 1 0 395.528 4.142 40 0 GIABRO COc1ccc(-c2cnc3n2C[C@H]2C[N@@H+](Cc4ccc(F)cc4)C[C@@H]2C3)cc1 ZINC000306136527 570942568 /nfs/dbraw/zinc/94/25/68/570942568.db2.gz PVZCCAZHIHVDPR-RBUKOAKNSA-N 1 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ZINC000019448925 570984855 /nfs/dbraw/zinc/98/48/55/570984855.db2.gz HHRFKOILSLMIFS-VWLOTQADSA-N 1 0 391.559 4.308 40 0 GIABRO CCNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000019529149 570998637 /nfs/dbraw/zinc/99/86/37/570998637.db2.gz OKJHWJJHTKEJOH-SANMLTNESA-N 1 0 399.538 4.320 40 0 GIABRO Cc1ncsc1-c1nnc([C@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)o1 ZINC000019562810 571006336 /nfs/dbraw/zinc/00/63/36/571006336.db2.gz RQNUJRYMHMGNNB-ZDUSSCGKSA-N 1 0 376.432 4.159 40 0 GIABRO C[NH+](C)C1CCC2(CC1)CN(C(=O)c1cccc(F)c1)Cc1ccccc1O2 ZINC000019583932 571014802 /nfs/dbraw/zinc/01/48/02/571014802.db2.gz RGYHAURNOWXZKA-UHFFFAOYSA-N 1 0 382.479 4.104 40 0 GIABRO CN(C[C@@H]1OCCc2ccccc21)C(=O)c1ccc(C[NH+]2CCCCCC2)o1 ZINC000019586059 571015752 /nfs/dbraw/zinc/01/57/52/571015752.db2.gz VWQLIXKOGPYGMX-QFIPXVFZSA-N 1 0 382.504 4.042 40 0 GIABRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(OCC(C)C)cc3)cc2)CC1 ZINC000011945995 818131475 /nfs/dbraw/zinc/13/14/75/818131475.db2.gz GVYDLXXOZDLHJS-UHFFFAOYSA-N 1 0 381.520 4.116 40 0 GIABRO Cc1ncc(C[N@@H+]2CC[C@H](c3cc(COc4ccc(Cl)cc4)[nH]n3)C2)s1 ZINC000019704264 818600877 /nfs/dbraw/zinc/60/08/77/818600877.db2.gz IYLZDSPPHZGMSQ-AWEZNQCLSA-N 1 0 388.924 4.397 40 0 GIABRO CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000019700479 818600916 /nfs/dbraw/zinc/60/09/16/818600916.db2.gz HJDGPNZOQKVKBU-UHFFFAOYSA-N 1 0 399.538 4.320 40 0 GIABRO O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1ccccc1)C[N@@H+]2Cc1ccc2ccccc2n1 ZINC000019712612 818602487 /nfs/dbraw/zinc/60/24/87/818602487.db2.gz YUNRACGWGCGUNB-PWWKTKHKSA-N 1 0 385.511 4.262 40 0 GIABRO Cc1noc(C)c1CC(=O)N1[C@H](c2ccccc2)C[C@@]2(C)[C@@H]1CCCCC[N@H+]2C ZINC000019713525 818603207 /nfs/dbraw/zinc/60/32/07/818603207.db2.gz CRKZORMXQFEEJR-FIXSFTCYSA-N 1 0 395.547 4.441 40 0 GIABRO Cc1nc(CC(=O)N2CCCCC[C@@H]3[NH2+][C@H](Cc4ccccc4)C[C@@]32C)cs1 ZINC000019713492 818603380 /nfs/dbraw/zinc/60/33/80/818603380.db2.gz SBWUWJUKGXLUJJ-NWSQWKLXSA-N 1 0 397.588 4.129 40 0 GIABRO CNc1cc(CN(C)Cc2ccc(-c3ccccc3)cc2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019759812 818605038 /nfs/dbraw/zinc/60/50/38/818605038.db2.gz TZJWMVIPVWSXTI-QFIPXVFZSA-N 1 0 387.531 4.242 40 0 GIABRO Cc1cc(OCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc(C)c1Cl ZINC000224618070 222658440 /nfs/dbraw/zinc/65/84/40/222658440.db2.gz SKPLDVIJLLIKOZ-UHFFFAOYSA-N 1 0 386.923 4.248 40 0 GIABRO CCCOC(C)(C)C(=O)Nc1ccc(OCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000225727256 222692926 /nfs/dbraw/zinc/69/29/26/222692926.db2.gz ADUSDHAAIINLTF-ROUUACIJSA-N 1 0 376.541 4.187 40 0 GIABRO COc1ccc2nc(C[N@@H+]3CC[C@@H](c4nc(-c5ccccc5)no4)C3)ccc2c1 ZINC000257217255 222755942 /nfs/dbraw/zinc/75/59/42/222755942.db2.gz CYFKEIMREGELDZ-GOSISDBHSA-N 1 0 386.455 4.283 40 0 GIABRO C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)NCCCC[NH+](C)C)c1O)OC2(C)C ZINC000257268092 222766949 /nfs/dbraw/zinc/76/69/49/222766949.db2.gz MKEGFSACTCYBAA-KBAYOESNSA-N 1 0 388.552 4.155 40 0 GIABRO Cc1cccc(C[N@@H+]2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)c1 ZINC000306134198 222798602 /nfs/dbraw/zinc/79/86/02/222798602.db2.gz NFOUMMKKZDPRMK-FQEVSTJZSA-N 1 0 375.520 4.018 40 0 GIABRO Cc1c2cc(Cl)ccc2n(C)c1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000035322757 212119561 /nfs/dbraw/zinc/11/95/61/212119561.db2.gz SYVLIDBIWDBVFH-IBGZPJMESA-N 1 0 387.886 4.312 40 0 GIABRO CCNc1cc(N2CCc3ccc(Br)cc3C2)nc(C(C)C)[nH+]1 ZINC000328963478 212090075 /nfs/dbraw/zinc/09/00/75/212090075.db2.gz BOQWZAZHFWZKCI-UHFFFAOYSA-N 1 0 375.314 4.357 40 0 GIABRO Cc1ccsc1C[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C[C@@H](C)O ZINC000012116723 221151882 /nfs/dbraw/zinc/15/18/82/221151882.db2.gz XTJCWRKROHBKBG-CQSZACIVSA-N 1 0 375.925 4.483 40 0 GIABRO COCCn1cc(C[NH+]2CCC(O)(c3ccccc3C)CC2)c2ccccc21 ZINC000012118286 221153246 /nfs/dbraw/zinc/15/32/46/221153246.db2.gz WMKCBSAWZFXWLT-UHFFFAOYSA-N 1 0 378.516 4.080 40 0 GIABRO COc1cccc(C[N@@H+]2Cc3ccccc3OC3(CCC(CO)CC3)C2)c1F ZINC000012126507 221155589 /nfs/dbraw/zinc/15/55/89/221155589.db2.gz HUZWSGVPGYQOTC-UHFFFAOYSA-N 1 0 385.479 4.150 40 0 GIABRO Cc1ccc([C@@H](O)C[NH+]2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000012292186 221175667 /nfs/dbraw/zinc/17/56/67/221175667.db2.gz NVSUEPUFZJBFGK-IBGZPJMESA-N 1 0 379.422 4.031 40 0 GIABRO COc1ccc(C2(O)CC[NH+](C[C@H](O)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000012292280 221175722 /nfs/dbraw/zinc/17/57/22/221175722.db2.gz XHDIMGDNDJKRIS-QFIPXVFZSA-N 1 0 383.532 4.010 40 0 GIABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc2ccccc2c1 ZINC000012293572 221175830 /nfs/dbraw/zinc/17/58/30/221175830.db2.gz GOQSFCPKIPESES-PKTZIBPZSA-N 1 0 389.495 4.224 40 0 GIABRO CC(C)(C)c1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1 ZINC000012293558 221176411 /nfs/dbraw/zinc/17/64/11/221176411.db2.gz LPIHUACXSTZTJA-FGZHOGPDSA-N 1 0 395.543 4.368 40 0 GIABRO Cc1nccc(-c2ccc(-c3noc(C[NH+]4C[C@H]5CCCC[C@@H]5C4)n3)cc2)n1 ZINC000012337172 221182167 /nfs/dbraw/zinc/18/21/67/221182167.db2.gz BKXCANRFTVQIGA-RTBURBONSA-N 1 0 375.476 4.124 40 0 GIABRO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2[nH]c3ccc(F)cc3c2C)CC1 ZINC000012328845 221182307 /nfs/dbraw/zinc/18/23/07/221182307.db2.gz GMFYLVBAWIPQSB-UHFFFAOYSA-N 1 0 397.469 4.382 40 0 GIABRO CC(C)(C)C1CC[NH+](C[C@H](O)c2ccc3c(c2)CCCN3C(=O)C2CC2)CC1 ZINC000012326670 221182787 /nfs/dbraw/zinc/18/27/87/221182787.db2.gz AXUPRLXFRROECP-QFIPXVFZSA-N 1 0 384.564 4.167 40 0 GIABRO CCCSc1ncc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(OC)cc2)C3)cn1 ZINC000012345466 221184017 /nfs/dbraw/zinc/18/40/17/221184017.db2.gz GAZNCIMWVNQRIV-QIDMFYOTSA-N 1 0 399.560 4.002 40 0 GIABRO Cc1cc(-c2cnc(NCCC[N@H+]3CCC[C@@H](C)C3)nc2-c2ccco2)on1 ZINC000012184352 221163744 /nfs/dbraw/zinc/16/37/44/221163744.db2.gz JDADIFANMDHFMD-OAHLLOKOSA-N 1 0 381.480 4.234 40 0 GIABRO COc1ccccc1CN(Cc1cnn(C)c1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012186573 221164163 /nfs/dbraw/zinc/16/41/63/221164163.db2.gz OQNAXUXUBJFJKA-UHFFFAOYSA-N 1 0 384.568 4.049 40 0 GIABRO COc1ccccc1CN(Cc1cn(C)nc1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012186575 221164354 /nfs/dbraw/zinc/16/43/54/221164354.db2.gz HYNXOXLRAOKXEL-UHFFFAOYSA-N 1 0 384.568 4.049 40 0 GIABRO COc1ccccc1OCC[N@H+](C)Cc1c2cccnc2[nH]c1-c1ccco1 ZINC000012222421 221169575 /nfs/dbraw/zinc/16/95/75/221169575.db2.gz VUFZXVBIBUVMCZ-UHFFFAOYSA-N 1 0 377.444 4.342 40 0 GIABRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1sc(C)nc1-c1cc(C)ccc1C ZINC000012239713 221172231 /nfs/dbraw/zinc/17/22/31/221172231.db2.gz BPCOLHBZMVCFPA-GOSISDBHSA-N 1 0 385.577 4.268 40 0 GIABRO COc1ccc(C[NH+]2CCC(c3noc(-c4ccccn4)n3)CC2)c(C)c1C ZINC000012668504 221218315 /nfs/dbraw/zinc/21/83/15/221218315.db2.gz XBEJJWRZFUULHJ-UHFFFAOYSA-N 1 0 378.476 4.137 40 0 GIABRO O=C(CCC[NH+]1CCC(NC(=O)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000013108955 221261612 /nfs/dbraw/zinc/26/16/12/221261612.db2.gz YNOKKGMRQZMPDA-UHFFFAOYSA-N 1 0 384.907 4.197 40 0 GIABRO C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000015614116 221337559 /nfs/dbraw/zinc/33/75/59/221337559.db2.gz JYQHFCVKIFAIFX-QGZVFWFLSA-N 1 0 386.923 4.410 40 0 GIABRO O[C@@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@@H+](C2CCCCC2)C1 ZINC000015674244 221338875 /nfs/dbraw/zinc/33/88/75/221338875.db2.gz MFSPGDHTLRCGFM-ZBFHGGJFSA-N 1 0 397.397 4.076 40 0 biogenic,in-vitro GIABRO Cc1cc(C(F)(F)F)n2nc([C@H]3CC[N@H+](Cc4cccc(F)c4)C3)cc2n1 ZINC000019117117 221396908 /nfs/dbraw/zinc/39/69/08/221396908.db2.gz VDJDQYVPBVCIKA-AWEZNQCLSA-N 1 0 378.373 4.185 40 0 GIABRO Cc1ccc(C)c([C@@H](NC(=O)[C@@H](c2ccc(F)cc2)N(C)C)c2ccncc2)c1 ZINC000019132164 221398173 /nfs/dbraw/zinc/39/81/73/221398173.db2.gz GDXZUXWTONVCDX-XZOQPEGZSA-N 1 0 391.490 4.346 40 0 GIABRO Clc1ccc(CN2CCc3nc([C@H]4CCCC[NH2+]4)ncc3C2)cc1Cl ZINC000019292963 221406038 /nfs/dbraw/zinc/40/60/38/221406038.db2.gz AAMOVCXEPQEXBR-GOSISDBHSA-N 1 0 377.319 4.156 40 0 GIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccccc3-n3ccnc3)cc2)C1 ZINC000030860478 221705068 /nfs/dbraw/zinc/70/50/68/221705068.db2.gz XHEJWBKZMRJKJL-IBGZPJMESA-N 1 0 388.515 4.034 40 0 GIABRO CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875301 221954489 /nfs/dbraw/zinc/95/44/89/221954489.db2.gz SKFJYYNQHSRORX-HSZRJFAPSA-N 1 0 380.532 4.455 40 0 GIABRO COc1ccc(CSCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000044873389 221955285 /nfs/dbraw/zinc/95/52/85/221955285.db2.gz ZBTVOAAPMSZSSY-UHFFFAOYSA-N 1 0 398.572 4.231 40 0 GIABRO CCc1nc2ccccc2n1CC(=O)N1CCCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC000057776056 222036097 /nfs/dbraw/zinc/03/60/97/222036097.db2.gz UWFOIQSTRPNWLQ-HXUWFJFHSA-N 1 0 396.579 4.102 40 0 GIABRO COc1ccc(C[N@H+](CCCO)Cc2c3cccnc3[nH]c2C(C)C)cc1OC ZINC000057763019 222036250 /nfs/dbraw/zinc/03/62/50/222036250.db2.gz DVPUTJYABCKTQA-UHFFFAOYSA-N 1 0 397.519 4.088 40 0 GIABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)C1CCC1 ZINC000072330560 222229329 /nfs/dbraw/zinc/22/93/29/222229329.db2.gz HKHIBFGKJVGZOA-GCJKJVERSA-N 1 0 399.485 4.229 40 0 GIABRO Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072345976 222232732 /nfs/dbraw/zinc/23/27/32/222232732.db2.gz IWVPEOKCDLJTRC-INIZCTEOSA-N 1 0 379.895 4.154 40 0 GIABRO O=C(C[N@H+]1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1)N1CCCCC1 ZINC000072348711 222235217 /nfs/dbraw/zinc/23/52/17/222235217.db2.gz WJEMDLQZBWQCRM-HXUWFJFHSA-N 1 0 395.522 4.003 40 0 GIABRO CC(=O)N1CCC([N@@H+]2CCC[C@@H](c3cccc(Cc4cccc(C)c4)n3)C2)CC1 ZINC000072350202 222236346 /nfs/dbraw/zinc/23/63/46/222236346.db2.gz XNTLBEVPFQKWTK-JOCHJYFZSA-N 1 0 391.559 4.171 40 0 GIABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3cccc(Cc4ccccc4Cl)n3)C2)cn1 ZINC000072349987 222236758 /nfs/dbraw/zinc/23/67/58/222236758.db2.gz XBCOKMUKRJQMRP-LJQANCHMSA-N 1 0 380.923 4.439 40 0 GIABRO CN(C)C(=O)C[N@@H+]1CCC[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072349513 222236896 /nfs/dbraw/zinc/23/68/96/222236896.db2.gz DFHYGJSAMZIJFJ-INIZCTEOSA-N 1 0 391.437 4.035 40 0 GIABRO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCC[N@@H+]2CCOc2ccc(F)cc2)n1 ZINC000072354860 222237429 /nfs/dbraw/zinc/23/74/29/222237429.db2.gz XVKZLFBTYGTOJK-FQEVSTJZSA-N 1 0 396.441 4.220 40 0 GIABRO Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCC[N@@H+](Cc3ccnn3C)C2)n1 ZINC000072352028 222237464 /nfs/dbraw/zinc/23/74/64/222237464.db2.gz OLEXUAWVDRJHFW-QGZVFWFLSA-N 1 0 379.483 4.386 40 0 GIABRO Cn1cc(C[N@@H+]2CC[C@@H](c3c4ccccc4sc3C(N)=O)C2)c2ccccc21 ZINC000072352287 222237971 /nfs/dbraw/zinc/23/79/71/222237971.db2.gz ZTQRFDLFADZOGD-OAHLLOKOSA-N 1 0 389.524 4.481 40 0 GIABRO CCc1nccn1-c1nccnc1C1CC[NH+](CCCc2ccccc2)CC1 ZINC000072350650 222238235 /nfs/dbraw/zinc/23/82/35/222238235.db2.gz KUYZVEIYZCYMCM-UHFFFAOYSA-N 1 0 375.520 4.037 40 0 GIABRO COc1ccccc1-c1nccnc1[C@H]1CCC[N@H+](CCOc2ccccc2)C1 ZINC000072358890 222239082 /nfs/dbraw/zinc/23/90/82/222239082.db2.gz RCGMAINBELRYLV-IBGZPJMESA-N 1 0 389.499 4.411 40 0 GIABRO COc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3Cc3cccc(F)c3)CC2)cc1 ZINC000096047554 222374333 /nfs/dbraw/zinc/37/43/33/222374333.db2.gz AQZMXTOWEQYTGF-XMMPIXPASA-N 1 0 396.506 4.382 40 0 GIABRO O=C1N(Cc2ccccc2)c2ccccc2C12CC[NH+](Cc1ccccn1)CC2 ZINC000096052534 222374379 /nfs/dbraw/zinc/37/43/79/222374379.db2.gz DVPPHUYJCKYJGE-UHFFFAOYSA-N 1 0 383.495 4.162 40 0 GIABRO CN(C)C(=O)C[C@@H]1CC2(CC[NH+](Cc3cccs3)CC2)Oc2ccccc21 ZINC000096053143 222374802 /nfs/dbraw/zinc/37/48/02/222374802.db2.gz YJZINCUWBXYKKE-QGZVFWFLSA-N 1 0 384.545 4.127 40 0 GIABRO O=C(C[C@H]1CC2(CC[NH+](Cc3nccs3)CC2)c2ccccc21)NCC1CC1 ZINC000096052670 222375541 /nfs/dbraw/zinc/37/55/41/222375541.db2.gz JCJITFMSJHMJHD-SFHVURJKSA-N 1 0 395.572 4.081 40 0 GIABRO O=C(c1cscn1)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4)cc3)C[C@@H]2C1 ZINC000096245489 222402723 /nfs/dbraw/zinc/40/27/23/222402723.db2.gz OYHPIJOLBLGACP-OYRHEFFESA-N 1 0 389.524 4.014 40 0 GIABRO Cc1ccc(CNC(=O)c2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2)cc1 ZINC000408863939 534049028 /nfs/dbraw/zinc/04/90/28/534049028.db2.gz RTHZQVXVGFINPT-UHFFFAOYSA-N 1 0 399.538 4.247 40 0 GIABRO C[C@@]1(O)CC[N@H+](Cc2ccccc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000514289809 560031453 /nfs/dbraw/zinc/03/14/53/560031453.db2.gz HQNJNDKPTCZPAV-SONWIMMPSA-N 1 0 392.543 4.060 40 0 biogenic,in-vitro GIABRO Fc1ccccc1C[N@@H+]1CC[C@H](c2nnc(Cc3c[nH]c4ccccc34)o2)C1 ZINC000049169749 560084147 /nfs/dbraw/zinc/08/41/47/560084147.db2.gz GDSVQDFFKGKNMF-INIZCTEOSA-N 1 0 376.435 4.270 40 0 biogenic,in-vitro GIABRO COc1ccccc1C[N@@H+]1CC[C@H](c2nnc(Cc3c[nH]c4ccccc34)o2)C1 ZINC000049169758 560084221 /nfs/dbraw/zinc/08/42/21/560084221.db2.gz ALMRKJISCFJBKX-KRWDZBQOSA-N 1 0 388.471 4.140 40 0 biogenic,in-vitro GIABRO COC(=O)c1ccc2c(c1)CCN(c1cc(NC3CCCC3)[nH+]c(C(C)C)n1)C2 ZINC000329043025 570214546 /nfs/dbraw/zinc/21/45/46/570214546.db2.gz SPKQYQSBKUUILN-UHFFFAOYSA-N 1 0 394.519 4.304 40 0 GIABRO Cc1cccc(C[N@@H+]2CC[C@@]3(C2)COCc2c(C)nc(-c4ccccc4)nc23)c1 ZINC000096244662 570224233 /nfs/dbraw/zinc/22/42/33/570224233.db2.gz HNYTZJGOPVRFFI-RUZDIDTESA-N 1 0 385.511 4.434 40 0 GIABRO O=C(NCc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000096625597 570231473 /nfs/dbraw/zinc/23/14/73/570231473.db2.gz PDWLYIOJNFNJML-UHFFFAOYSA-N 1 0 394.412 4.373 40 0 GIABRO O=C(Nc1ccc(N2CCCC2)cc1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000096627725 570231536 /nfs/dbraw/zinc/23/15/36/570231536.db2.gz JQJNERCKHSFXES-IBGZPJMESA-N 1 0 381.495 4.277 40 0 GIABRO Cc1cc(OC[C@]2(O)CCC[N@H+](Cc3ccc(O)cc3)C2)cc(C)c1Cl ZINC000585272727 570242330 /nfs/dbraw/zinc/24/23/30/570242330.db2.gz JGONUXSLVRSJJS-NRFANRHFSA-N 1 0 375.896 4.068 40 0 GIABRO Cc1ccc(Cl)c(OC[C@@]2(O)CCC[N@H+](Cc3ccc4[nH]cnc4c3)CC2)c1 ZINC000585274460 570243893 /nfs/dbraw/zinc/24/38/93/570243893.db2.gz XSXIWZHUEYAIBA-JOCHJYFZSA-N 1 0 399.922 4.321 40 0 GIABRO COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)C[N@@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000005478277 570255652 /nfs/dbraw/zinc/25/56/52/570255652.db2.gz IJTCPPUISHYVGE-WNSKOXEYSA-N 1 0 397.519 4.102 40 0 GIABRO O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000585289586 570257223 /nfs/dbraw/zinc/25/72/23/570257223.db2.gz KLEKRGXBMQBTQH-XUVXKRRUSA-N 1 0 380.315 4.487 40 0 GIABRO COc1cccc(-c2noc([C@H]3CC[N@H+](Cc4cccc5cccnc54)C3)n2)c1 ZINC000072369894 570339853 /nfs/dbraw/zinc/33/98/53/570339853.db2.gz HYZHKSCROBPHSZ-IBGZPJMESA-N 1 0 386.455 4.283 40 0 GIABRO COc1cc2c(cc1OCc1ccccc1)[C@@H](Cc1ccc(O)cc1)[NH2+]CC2 ZINC000003847368 570351932 /nfs/dbraw/zinc/35/19/32/570351932.db2.gz VIDAVRHVTLFJEZ-JOCHJYFZSA-N 1 0 375.468 4.409 40 0 GIABRO CC[C@@H](c1nnnn1C(C)(C)CC)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057669821 570367084 /nfs/dbraw/zinc/36/70/84/570367084.db2.gz NSXHWGWHJDYJAZ-KRWDZBQOSA-N 1 0 390.963 4.053 40 0 GIABRO O=C(C[C@H]1CC[NH2+]C[C@H]1F)Nc1nc(C2CC2)c(Cc2ccc(F)cc2)s1 ZINC000685938977 570398474 /nfs/dbraw/zinc/39/84/74/570398474.db2.gz PHAQBQSJYZAIJZ-GDBMZVCRSA-N 1 0 391.487 4.027 40 0 GIABRO COC(=O)c1cn(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c2ccccc12 ZINC000222640077 570418125 /nfs/dbraw/zinc/41/81/25/570418125.db2.gz HMUFFRSKKRBFAY-QGZVFWFLSA-N 1 0 394.446 4.119 40 0 GIABRO COc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1OC ZINC000039772814 570446641 /nfs/dbraw/zinc/44/66/41/570446641.db2.gz LLAOPGXEZCICLB-UHFFFAOYSA-N 1 0 388.895 4.208 40 0 GIABRO COc1ccccc1C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1cccc(F)c1)C2 ZINC000035289821 570455279 /nfs/dbraw/zinc/45/52/79/570455279.db2.gz UZWUFBOWNSSYPQ-SEJPIABJSA-N 1 0 382.479 4.150 40 0 GIABRO COc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)c2ccc(OC)cc2)C3)cc1 ZINC000035289835 570455609 /nfs/dbraw/zinc/45/56/09/570455609.db2.gz XOWDABRQDALNQB-SEJPIABJSA-N 1 0 394.515 4.019 40 0 GIABRO Cc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=S)NCc2ccco2)C3)cc1 ZINC000035291791 570460660 /nfs/dbraw/zinc/46/06/60/570460660.db2.gz YQTFZQJPDBNJHZ-IHWFROFDSA-N 1 0 383.561 4.138 40 0 GIABRO Cc1ccc(C)c(OCCNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000224031847 570495454 /nfs/dbraw/zinc/49/54/54/570495454.db2.gz OMXSFKQXFIWDGK-UHFFFAOYSA-N 1 0 380.532 4.488 40 0 GIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCOc3ccc(Cl)cc3)cc2)C1 ZINC000224333089 570509300 /nfs/dbraw/zinc/50/93/00/570509300.db2.gz HAGCZBGIJQZVLJ-KRWDZBQOSA-N 1 0 386.923 4.381 40 0 GIABRO Cc1cc(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)ccc1Cl ZINC000224515312 570516031 /nfs/dbraw/zinc/51/60/31/570516031.db2.gz RLRHAWAYMYDCIE-QGZVFWFLSA-N 1 0 386.923 4.328 40 0 GIABRO Cc1ccc(O[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c(C)c1 ZINC000224685439 570524290 /nfs/dbraw/zinc/52/42/90/570524290.db2.gz VIAOIXVDPVKQGA-FQEVSTJZSA-N 1 0 380.532 4.373 40 0 GIABRO CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224840827 570533665 /nfs/dbraw/zinc/53/36/65/570533665.db2.gz NNQMBCPHAZJUPN-HSZRJFAPSA-N 1 0 380.532 4.455 40 0 GIABRO CC(C)c1ccc(NC(=S)N2CC[NH+](C3Cc4ccccc4C3)CC2)cc1 ZINC000225211159 570556588 /nfs/dbraw/zinc/55/65/88/570556588.db2.gz WEEIATIEAFYNII-UHFFFAOYSA-N 1 0 379.573 4.292 40 0 GIABRO c1csc(-c2cnc(N3CC[N@H+]4CCCC[C@@H]4C3)nc2-c2nccs2)c1 ZINC000036718970 570568123 /nfs/dbraw/zinc/56/81/23/570568123.db2.gz RHPXMDIASAJPPC-CQSZACIVSA-N 1 0 383.546 4.003 40 0 GIABRO COc1ccc(CN(Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1O ZINC000036740546 570569249 /nfs/dbraw/zinc/56/92/49/570569249.db2.gz DNITVCSXIAOOID-UHFFFAOYSA-N 1 0 383.536 4.107 40 0 GIABRO CC1CC[NH+](CCCOc2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)CC1 ZINC000225590414 570591838 /nfs/dbraw/zinc/59/18/38/570591838.db2.gz NDLMDBGQYGYRLH-UHFFFAOYSA-N 1 0 393.742 4.496 40 0 GIABRO CO[C@]1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@@H]3C)cc2)CCC[C@@H](C)C1 ZINC000225635593 570596750 /nfs/dbraw/zinc/59/67/50/570596750.db2.gz IWICYXUBRAQMIB-SELNLUPBSA-N 1 0 388.552 4.474 40 0 GIABRO CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225692772 570604071 /nfs/dbraw/zinc/60/40/71/570604071.db2.gz GEKFLSCAGRMPAL-XMSQKQJNSA-N 1 0 376.541 4.331 40 0 GIABRO CCO[C@@]1(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCC[C@@H](C)C1 ZINC000225714818 570608013 /nfs/dbraw/zinc/60/80/13/570608013.db2.gz NOOYQPZFNVJIFF-XXBNENTESA-N 1 0 388.552 4.475 40 0 GIABRO FC(F)(F)c1cccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000225742568 570612120 /nfs/dbraw/zinc/61/21/20/570612120.db2.gz JEFZDJCGXXEHEY-UHFFFAOYSA-N 1 0 393.478 4.440 40 0 GIABRO CC(C)[C@@H](c1nnnn1Cc1ccccc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004230370 570624320 /nfs/dbraw/zinc/62/43/20/570624320.db2.gz OADOJOVGDNHLFX-QHCPKHFHSA-N 1 0 389.547 4.373 40 0 GIABRO Cc1ccc(C2(C(=O)Nc3ccc(OCC[NH+](C)C)nc3)CCCCC2)cc1 ZINC000225933210 570634566 /nfs/dbraw/zinc/63/45/66/570634566.db2.gz UXYXJVYREOJVBP-UHFFFAOYSA-N 1 0 381.520 4.171 40 0 GIABRO CCOc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000044851447 570636239 /nfs/dbraw/zinc/63/62/39/570636239.db2.gz FRNXGSWZRQKKPG-UHFFFAOYSA-N 1 0 398.522 4.185 40 0 GIABRO Cc1cc(C)cc(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000044875437 570638156 /nfs/dbraw/zinc/63/81/56/570638156.db2.gz IWANPJYRWNCAEY-FQEVSTJZSA-N 1 0 380.532 4.373 40 0 GIABRO CCOC(=O)c1ccc(C)c(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000044911855 570642328 /nfs/dbraw/zinc/64/23/28/570642328.db2.gz SZHVBUKDGDPLCM-IBGZPJMESA-N 1 0 398.478 4.162 40 0 GIABRO CCOc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000004887930 570642878 /nfs/dbraw/zinc/64/28/78/570642878.db2.gz MDTBONVCLDKIBB-FRIKZZABSA-N 1 0 378.516 4.401 40 0 GIABRO CCOC(=O)c1ccc(C)c(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000044911903 570642952 /nfs/dbraw/zinc/64/29/52/570642952.db2.gz QEHKHNKOOCYBNA-UHFFFAOYSA-N 1 0 398.478 4.162 40 0 GIABRO CCOc1cccc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000044919796 570643429 /nfs/dbraw/zinc/64/34/29/570643429.db2.gz MSEOSIBRMKDENR-UHFFFAOYSA-N 1 0 386.923 4.267 40 0 GIABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(OC)cc1 ZINC000044936359 570644298 /nfs/dbraw/zinc/64/42/98/570644298.db2.gz DLRRHTBCERKYNK-QFIPXVFZSA-N 1 0 384.495 4.314 40 0 GIABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)cc2)CC1 ZINC000044938415 570644884 /nfs/dbraw/zinc/64/48/84/570644884.db2.gz MLRZJGBPCYQLMV-UHFFFAOYSA-N 1 0 391.515 4.298 40 0 GIABRO CCCO[C@](C)(C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000260812508 570707304 /nfs/dbraw/zinc/70/73/04/570707304.db2.gz DOOYCVOGEWQIFB-JPYJTQIMSA-N 1 0 388.552 4.474 40 0 GIABRO CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260814756 570707736 /nfs/dbraw/zinc/70/77/36/570707736.db2.gz NDYPPFRVIJOHAF-XMSQKQJNSA-N 1 0 376.541 4.474 40 0 GIABRO CCCO[C@](C)(CC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260814485 570707770 /nfs/dbraw/zinc/70/77/70/570707770.db2.gz JKMRKYSZZNCFFN-XMSQKQJNSA-N 1 0 376.541 4.474 40 0 GIABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCC2)cc1)c1cc2ccccc2o1 ZINC000006548938 570747258 /nfs/dbraw/zinc/74/72/58/570747258.db2.gz JEWNQWFTAYWJHS-UHFFFAOYSA-N 1 0 379.485 4.155 40 0 GIABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000006629868 570748106 /nfs/dbraw/zinc/74/81/06/570748106.db2.gz UAPNJEQFLZCBRK-UHFFFAOYSA-N 1 0 389.952 4.238 40 0 GIABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)cc1 ZINC000006629888 570748178 /nfs/dbraw/zinc/74/81/78/570748178.db2.gz APLDATPENZCHMJ-UHFFFAOYSA-N 1 0 399.560 4.442 40 0 GIABRO Cc1noc(C)c1-c1cc(C[C@@H]2CC[N@H+](Cc3c[nH]c4ccccc34)C2)ncn1 ZINC000257230565 570764951 /nfs/dbraw/zinc/76/49/51/570764951.db2.gz GCWRCIVOAYAAMF-KRWDZBQOSA-N 1 0 387.487 4.294 40 0 GIABRO CCn1cc(C[NH+]2CCC(c3cccc(Nc4cccc(C)n4)n3)CC2)cn1 ZINC000257248809 570769842 /nfs/dbraw/zinc/76/98/42/570769842.db2.gz JFHKQIBVUATGQP-UHFFFAOYSA-N 1 0 376.508 4.125 40 0 GIABRO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000013674609 570771744 /nfs/dbraw/zinc/77/17/44/570771744.db2.gz GAOOBGXLVBTDDL-INIZCTEOSA-N 1 0 393.380 4.067 40 0 GIABRO C[N@@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cncs1 ZINC000257265780 570772484 /nfs/dbraw/zinc/77/24/84/570772484.db2.gz MAFNSNXMKJMVFT-SLIDZQALSA-N 1 0 395.572 4.232 40 0 GIABRO C[N@H+]1[C@@H]2CCCC[C@@H]3N(C(=O)c4cncs4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257265781 570772675 /nfs/dbraw/zinc/77/26/75/570772675.db2.gz MAFNSNXMKJMVFT-VQYHNWKHSA-N 1 0 395.572 4.232 40 0 GIABRO Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCN(C(=O)c3ccccn3)C2)[nH+]1 ZINC000257301161 570778281 /nfs/dbraw/zinc/77/82/81/570778281.db2.gz RXFVITPOGCNDLF-INIZCTEOSA-N 1 0 376.435 4.297 40 0 GIABRO C[N@@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cc(-c2ccccc2Cl)no1 ZINC000257312482 570779888 /nfs/dbraw/zinc/77/98/88/570779888.db2.gz UODOBFOBNJVLLV-COWZOJLOSA-N 1 0 399.922 4.472 40 0 GIABRO Cc1cnc(C(=O)N2[C@H](c3ccccc3)C[C@@]3(C)[C@@H]2CCCCC[N@H+]3C)cn1 ZINC000257316199 570780268 /nfs/dbraw/zinc/78/02/68/570780268.db2.gz VEOPNXWBYUNCCS-FUDKSRODSA-N 1 0 378.520 4.005 40 0 GIABRO Cc1nc(C)c(C(=O)N2[C@@H]3CCC[C@@H]4[NH2+][C@@H](C[C@@]43C)[C@@H]2Cc2ccccc2)s1 ZINC000257340942 570784652 /nfs/dbraw/zinc/78/46/52/570784652.db2.gz ZIFOWPAWKMCPOO-PYRYHMDCSA-N 1 0 395.572 4.116 40 0 GIABRO O=C(Cc1cccc(O)c1)N1CCC[C@]2(CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000585100830 570928420 /nfs/dbraw/zinc/92/84/20/570928420.db2.gz YFIKZBIXPLBJDW-DEOSSOPVSA-N 1 0 396.506 4.121 40 0 GIABRO C[C@H](c1ccccc1)[N@@H+]1CCOC[C@@]2(CC(=O)N([C@@H](C)c3ccccc3)C2)C1 ZINC000585103577 570929060 /nfs/dbraw/zinc/92/90/60/570929060.db2.gz DMRCQCJPAVDZMB-NMMYMHLASA-N 1 0 378.516 4.060 40 0 GIABRO Clc1cccc(C[N@@H+]2CC[C@]3(CN(Cc4ccccn4)c4cccnc43)C2)c1 ZINC000306133861 570940948 /nfs/dbraw/zinc/94/09/48/570940948.db2.gz MXZNGKODTJSBEM-HSZRJFAPSA-N 1 0 390.918 4.294 40 0 GIABRO Cc1ncc2c(n1)[C@]1(CC[N@H+](Cc3ccc(-c4ccc(Cl)cc4)o3)C1)COC2 ZINC000306135396 570941959 /nfs/dbraw/zinc/94/19/59/570941959.db2.gz OPUBZVXMKSBREC-QFIPXVFZSA-N 1 0 395.890 4.372 40 0 GIABRO CCn1cc(C[NH+]2CCC3(CC2)Oc2ccccc2-c2c3cnn2C(C)C)cn1 ZINC000306136684 570942505 /nfs/dbraw/zinc/94/25/05/570942505.db2.gz QAENRZVYUHZLCW-UHFFFAOYSA-N 1 0 391.519 4.231 40 0 GIABRO COc1ccc(F)cc1-c1ccc2nc([C@H]3CCC[N@@H+](C4CCC4)C3)nn2c1 ZINC000306136366 570942616 /nfs/dbraw/zinc/94/26/16/570942616.db2.gz PRJHNBLRWULAFM-INIZCTEOSA-N 1 0 380.467 4.276 40 0 GIABRO COc1cccc(-c2ccc3nc([C@H]4CCC[N@H+](Cc5ccncc5)C4)nn3c2)c1 ZINC000306137501 570943096 /nfs/dbraw/zinc/94/30/96/570943096.db2.gz QXWWNPPJDBPOTN-NRFANRHFSA-N 1 0 399.498 4.180 40 0 GIABRO O=C(c1ccsc1)N1C[C@]2(CC[N@@H+](Cc3cccc(F)c3)C2)c2ncccc21 ZINC000306143839 570946632 /nfs/dbraw/zinc/94/66/32/570946632.db2.gz YNZUMIJYNPFWPT-JOCHJYFZSA-N 1 0 393.487 4.086 40 0 GIABRO COc1ccc(C[N@@H+]2CC[C@@H](c3cc(-c4ccc(C)cc4)n[nH]3)C2)cc1OC ZINC000019212112 570960907 /nfs/dbraw/zinc/96/09/07/570960907.db2.gz IMKFNCKGSBDQNC-LJQANCHMSA-N 1 0 377.488 4.392 40 0 GIABRO Cc1ccsc1C[N@H+](CCCN1CCOCC1)Cc1cc(F)ccc1F ZINC000019238572 570967974 /nfs/dbraw/zinc/96/79/74/570967974.db2.gz UUALHEOAASEDKX-UHFFFAOYSA-N 1 0 380.504 4.059 40 0 GIABRO OC1(c2ccccc2F)CC[NH+](Cc2c3cccnc3[nH]c2C(F)(F)F)CC1 ZINC000019347961 570978511 /nfs/dbraw/zinc/97/85/11/570978511.db2.gz LYDOJRPMLFEQLU-UHFFFAOYSA-N 1 0 393.384 4.204 40 0 GIABRO O=C(C1CC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3ccccc3F)CC[C@@H]21 ZINC000019349215 570978827 /nfs/dbraw/zinc/97/88/27/570978827.db2.gz CWRNDNJRFGDDPD-ZJOUEHCJSA-N 1 0 384.520 4.114 40 0 GIABRO NC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCC[N@H+](Cc2ccccn2)C1 ZINC000019374146 570981577 /nfs/dbraw/zinc/98/15/77/570981577.db2.gz DURHKMYKZKNRDK-VWLOTQADSA-N 1 0 385.511 4.059 40 0 GIABRO COc1ccc(C2(C[NH+]3CCC(NC(=O)[C@@H]4C[C@@H]4C)CC3)CCCCC2)cc1 ZINC000019495847 570989481 /nfs/dbraw/zinc/98/94/81/570989481.db2.gz WMHWRTFCOBDXBB-PGRDOPGGSA-N 1 0 384.564 4.134 40 0 GIABRO Cc1[nH]c2cccc3c2c1CCN1C(=O)OC2(CC(C)(C)[NH2+]C(C)(C)C2)[C@]31C ZINC000004127009 570992665 /nfs/dbraw/zinc/99/26/65/570992665.db2.gz MMIKFMRJOKJVDU-QFIPXVFZSA-N 1 0 381.520 4.379 40 0 GIABRO Cc1cccc(C[NH+]2CCC(Cc3cccc(-c4cccnc4)c3)(C(N)=O)CC2)c1 ZINC000585166483 570994587 /nfs/dbraw/zinc/99/45/87/570994587.db2.gz FMIXKLAZNDFSJT-UHFFFAOYSA-N 1 0 399.538 4.367 40 0 GIABRO CCN1CC[N@H+](Cc2ccccc2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527761 570998043 /nfs/dbraw/zinc/99/80/43/570998043.db2.gz HCTGDHXYBQFLNH-DEOSSOPVSA-N 1 0 399.538 4.272 40 0 GIABRO Cc1ncsc1-c1nnc([C@@H]2CCC[N@H+](Cc3cccc4cccnc43)C2)o1 ZINC000019562826 571006305 /nfs/dbraw/zinc/00/63/05/571006305.db2.gz HXXJIAKIWZPSKT-QGZVFWFLSA-N 1 0 391.500 4.429 40 0 GIABRO COc1cccc(C[N@@H+](Cc2ccc(N3CCCC3=O)cc2)C[C@@H]2CCCO2)c1 ZINC000019564646 571006806 /nfs/dbraw/zinc/00/68/06/571006806.db2.gz MLVVJFADVZUJJW-QHCPKHFHSA-N 1 0 394.515 4.003 40 0 GIABRO COc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CC[N@@H+](C4CCCC4)C[C@@H]32)c1 ZINC000019566307 571008046 /nfs/dbraw/zinc/00/80/46/571008046.db2.gz RBUZMMMFLVYVHF-WXFUMESZSA-N 1 0 396.575 4.444 40 0 GIABRO Cc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000019568920 571009210 /nfs/dbraw/zinc/00/92/10/571009210.db2.gz GCPGQYKPYDDFJR-CQSZACIVSA-N 1 0 376.382 4.325 40 0 GIABRO Cc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCC[N@H+](Cc2cnc(C)nc2)C1 ZINC000019568938 571009337 /nfs/dbraw/zinc/00/93/37/571009337.db2.gz DOGGOEDFMQCGRT-CQSZACIVSA-N 1 0 391.397 4.028 40 0 GIABRO Cc1cc(C)n(-c2cc(C(=O)N3CCCC[C@H]3CC[NH+]3CCCC3)ccc2F)n1 ZINC000019574634 571011190 /nfs/dbraw/zinc/01/11/90/571011190.db2.gz FUFAYFLJMDUCPI-FQEVSTJZSA-N 1 0 398.526 4.109 40 0 GIABRO COc1cccc(Cc2cc(C)nc(C3CC[NH+](Cc4ccnn4C)CC3)c2)c1 ZINC000019691850 571029731 /nfs/dbraw/zinc/02/97/31/571029731.db2.gz YUUWOXXIZHECFX-UHFFFAOYSA-N 1 0 390.531 4.103 40 0 GIABRO Cc1ccc(C(=O)N[C@@H](NC(=[NH2+])c2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000003109667 817417621 /nfs/dbraw/zinc/41/76/21/817417621.db2.gz GLIVRLLPWIAMNT-MRXNPFEDSA-N 1 0 384.694 4.036 40 0 GIABRO COc1ccc2[nH]cc([C@@H](O)C[N@@H+]3CCC[C@@H](COc4ccccc4F)C3)c2c1 ZINC000019563203 818594598 /nfs/dbraw/zinc/59/45/98/818594598.db2.gz LXLWQXIHUUKAHK-ZHRRBRCNSA-N 1 0 398.478 4.140 40 0 GIABRO CCN(C(C)=O)[C@H]1C[N@H+](Cc2cncn2Cc2ccccc2)C2(C1)CCCCC2 ZINC000019703849 818600933 /nfs/dbraw/zinc/60/09/33/818600933.db2.gz OFAJAGLXPVRXKN-JOCHJYFZSA-N 1 0 394.563 4.077 40 0 GIABRO CC[NH+](CC)[C@@H]1C[C@H](C(C)C)O[C@H](c2ccc(NC(=O)c3cnccn3)cc2)C1 ZINC000019711860 818601819 /nfs/dbraw/zinc/60/18/19/818601819.db2.gz UAXSGOLNDAOCJZ-FCEUIQTBSA-N 1 0 396.535 4.315 40 0 GIABRO CC[N@@H+]1CCC[C@](O)(c2nc(C)c(CCOc3ccc(F)c(F)c3)s2)CC1 ZINC000019705433 818601852 /nfs/dbraw/zinc/60/18/52/818601852.db2.gz OOGNFECQGFEIPU-HXUWFJFHSA-N 1 0 396.503 4.045 40 0 GIABRO COc1ccc2c(c1)c(C[N@@H+]1CC[C@@H]3[C@H]1CCCCN3C(C)=O)cn2C(C)C ZINC000019712483 818602514 /nfs/dbraw/zinc/60/25/14/818602514.db2.gz IUBBNAJZRJIJCA-DHIUTWEWSA-N 1 0 383.536 4.206 40 0 GIABRO Cn1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@H]3NC(=O)CCCC[C@H]32)c2ccccc21 ZINC000019712627 818602629 /nfs/dbraw/zinc/60/26/29/818602629.db2.gz QIPXUMSOFWWVFA-PWWKTKHKSA-N 1 0 387.527 4.205 40 0 GIABRO O[C@]1(c2ccc(F)cc2)CN(c2cccc(C(F)(F)F)c2)C2=[N+]1CCCCC2 ZINC000027525082 820255933 /nfs/dbraw/zinc/25/59/33/820255933.db2.gz ZWRMZSPSNKUCRY-FQEVSTJZSA-N 1 0 393.404 4.495 40 0 GIABRO CCCCc1ccc(NC(=S)N2CC[NH+](C3CCSCC3)CC2)cc1 ZINC000225216266 222671579 /nfs/dbraw/zinc/67/15/79/222671579.db2.gz BGNQNWOCAMPGJF-UHFFFAOYSA-N 1 0 377.623 4.239 40 0 GIABRO CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(CCCCc2ccccc2)c(Cl)c1 ZINC000001716760 212254255 /nfs/dbraw/zinc/25/42/55/212254255.db2.gz QAXPODLPPYVWCB-UHFFFAOYSA-N 1 0 383.927 4.091 40 0 GIABRO CCNc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(C(C)C)[nH+]1 ZINC000329006257 212092236 /nfs/dbraw/zinc/09/22/36/212092236.db2.gz LBIOACADXGSQAV-UHFFFAOYSA-N 1 0 380.414 4.493 40 0 GIABRO COc1ccc(C[N@@H+](Cc2ccc3ncccc3c2)C[C@@H]2CCCO2)cc1OC ZINC000012118238 221153263 /nfs/dbraw/zinc/15/32/63/221153263.db2.gz XUDLKAIHVPRQCZ-NRFANRHFSA-N 1 0 392.499 4.433 40 0 GIABRO COc1cc2c(cc1C[N@H+]1C[C@H]3CCC[C@@H](C1)C3(O)c1ccccn1)CCCC2 ZINC000012135145 221157265 /nfs/dbraw/zinc/15/72/65/221157265.db2.gz SREICTNIAPMCJA-OFFJZUQKSA-N 1 0 392.543 4.089 40 0 GIABRO Cc1cc(C[C@@H]2COC[C@H]2[N@H+](CCc2ccccc2)Cc2ccc(F)cc2)on1 ZINC000012366512 221184542 /nfs/dbraw/zinc/18/45/42/221184542.db2.gz AYDLVYFBARREFZ-ZJSXRUAMSA-N 1 0 394.490 4.425 40 0 GIABRO CC(C)(C)C1CC[NH+](Cc2nc(-c3ccc(-c4ccncn4)cc3)no2)CC1 ZINC000012219836 221169117 /nfs/dbraw/zinc/16/91/17/221169117.db2.gz CEXSKVQIJJDULW-UHFFFAOYSA-N 1 0 377.492 4.452 40 0 GIABRO CC[C@@H](C[NH+]1CCCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(F)cc1 ZINC000012239761 221172399 /nfs/dbraw/zinc/17/23/99/221172399.db2.gz MCWAVATYKZWPLG-SFHVURJKSA-N 1 0 389.540 4.181 40 0 GIABRO CN(C)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+](CC(C)(C)C)C1 ZINC000019082814 221396697 /nfs/dbraw/zinc/39/66/97/221396697.db2.gz MDIIVOORQPBAGA-QHCPKHFHSA-N 1 0 383.536 4.101 40 0 GIABRO CC(C)c1ncc(CN(Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000019453930 221413979 /nfs/dbraw/zinc/41/39/79/221413979.db2.gz LZFYBXNOQNWFQE-UHFFFAOYSA-N 1 0 381.568 4.306 40 0 GIABRO Cc1cc(C[N@@H+]2Cc3ccccc3C3(CCN(c4cnccn4)CC3)C2)oc1C ZINC000096242560 136185524 /nfs/dbraw/zinc/18/55/24/136185524.db2.gz DPPFCUTUAXZYII-UHFFFAOYSA-N 1 0 388.515 4.240 40 0 GIABRO CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038854420 221885759 /nfs/dbraw/zinc/88/57/59/221885759.db2.gz ADJYZJYJNJFAPO-UHFFFAOYSA-N 1 0 393.531 4.453 40 0 GIABRO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000060320515 222059946 /nfs/dbraw/zinc/05/99/46/222059946.db2.gz DVDUWEIFWYQCGZ-UHFFFAOYSA-N 1 0 383.330 4.186 40 0 GIABRO COc1cc2c(cc1OC)[C@@H](C)[N@@H+]([C@@H]1CCCN(C/C=C/c3ccco3)C1)CC2 ZINC000072342496 222231660 /nfs/dbraw/zinc/23/16/60/222231660.db2.gz FSMFKTXHTIZVEI-QEMYPZFLSA-N 1 0 396.531 4.394 40 0 GIABRO COc1ccc(C[N@@H+]2CCC[C@H](c3nc(N)ncc3-c3ccc(F)cc3)C2)cc1 ZINC000072345902 222233312 /nfs/dbraw/zinc/23/33/12/222233312.db2.gz TZRIAGSSDBEOEM-SFHVURJKSA-N 1 0 392.478 4.253 40 0 GIABRO O=C(C[N@H+]1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1)N1CCCC1 ZINC000072348772 222235562 /nfs/dbraw/zinc/23/55/62/222235562.db2.gz NMMMRMMXBCZEKB-GOSISDBHSA-N 1 0 383.923 4.204 40 0 GIABRO CCn1ccnc1C[N@@H+]1CCCCC[C@H]1Cc1c2ccccc2sc1C(N)=O ZINC000072370700 222240677 /nfs/dbraw/zinc/24/06/77/222240677.db2.gz ZKSJAYCYMMHYBL-INIZCTEOSA-N 1 0 396.560 4.204 40 0 GIABRO COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCC[N@@H+]1CC1CC1 ZINC000072370437 222241209 /nfs/dbraw/zinc/24/12/09/222241209.db2.gz JNWVBGHGNXEPSK-KRWDZBQOSA-N 1 0 386.561 4.085 40 0 GIABRO c1ccc(OCCn2nc(C3CC[NH+](C4CCCC4)CC3)c3nccnc32)cc1 ZINC000072395852 222251470 /nfs/dbraw/zinc/25/14/70/222251470.db2.gz CXNNULQMIYCVNK-UHFFFAOYSA-N 1 0 391.519 4.027 40 0 GIABRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000078578676 222296460 /nfs/dbraw/zinc/29/64/60/222296460.db2.gz DJHHKBVTPHPIEM-UHFFFAOYSA-N 1 0 380.532 4.387 40 0 GIABRO Cc1ccc(-c2cnc3n2CCN(C)C32CC[NH+](Cc3cccs3)CC2)cc1 ZINC000096037078 222372664 /nfs/dbraw/zinc/37/26/64/222372664.db2.gz OLEICOMJWMMBNT-UHFFFAOYSA-N 1 0 392.572 4.357 40 0 GIABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccncc3)CC2)c2ccccc21)NC1CCC1 ZINC000096052768 222374683 /nfs/dbraw/zinc/37/46/83/222374683.db2.gz PZOYXRAWJLFDHG-FQEVSTJZSA-N 1 0 389.543 4.162 40 0 GIABRO COc1ccc(C[NH+]2CCC(c3nc4ccc(-c5ccncc5)cn4n3)CC2)cc1 ZINC000096038249 222375463 /nfs/dbraw/zinc/37/54/63/222375463.db2.gz LCOOKPIBMOGXNR-UHFFFAOYSA-N 1 0 399.498 4.180 40 0 GIABRO CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)[N@H+](CC2CCCC2)CC[C@@]1(C)O ZINC000514290015 560030661 /nfs/dbraw/zinc/03/06/61/560030661.db2.gz UZPRWGCIQSVXOD-JAXLGGSGSA-N 1 0 392.609 4.357 40 0 biogenic,in-vitro GIABRO CC(C)C[C@@H]1[NH2+][C@H](C(=O)NCc2ccc(F)cc2)Cc2c[nH]c3cccc1c23 ZINC000049171390 560084330 /nfs/dbraw/zinc/08/43/30/560084330.db2.gz NIQNTRSPPORWBS-SFTDATJTSA-N 1 0 379.479 4.225 40 0 biogenic,in-vitro GIABRO Cc1cccc(CNc2n[nH]c3nc([C@@H]4CCC[N@H+](CC(C)(C)C)C4)ccc23)n1 ZINC000019742888 570212812 /nfs/dbraw/zinc/21/28/12/570212812.db2.gz WUYLATMZXMORSV-QGZVFWFLSA-N 1 0 392.551 4.499 40 0 GIABRO CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000020457803 570259506 /nfs/dbraw/zinc/25/95/06/570259506.db2.gz ZJRUAQABZHUPSE-GOSISDBHSA-N 1 0 393.531 4.309 40 0 GIABRO O=C(NCCC[NH+]1CCCCC1)c1ccc(OCCSc2ccccc2)cc1 ZINC000020495863 570264389 /nfs/dbraw/zinc/26/43/89/570264389.db2.gz YWOAILUPWKPHBD-UHFFFAOYSA-N 1 0 398.572 4.464 40 0 GIABRO CC[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc(OC)cc1 ZINC000044936233 570322593 /nfs/dbraw/zinc/32/25/93/570322593.db2.gz ARYQIIRDHCXNGX-UGKGYDQZSA-N 1 0 384.495 4.314 40 0 GIABRO CCC(=O)N(CCC[NH+](CC)CC)c1nc(-c2ccc(OC)cc2)cs1 ZINC000004169394 570360831 /nfs/dbraw/zinc/36/08/31/570360831.db2.gz DSVAEUVJFBSGOZ-UHFFFAOYSA-N 1 0 375.538 4.294 40 0 GIABRO CC(C)(C)c1ccccc1OCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024115682 570379235 /nfs/dbraw/zinc/37/92/35/570379235.db2.gz FBJBOGUZSYVHMA-UHFFFAOYSA-N 1 0 380.532 4.275 40 0 GIABRO O=C(C[C@@H]1CC[NH2+]C[C@H]1F)N[C@H](c1ccccc1)c1cccc2ccccc21 ZINC000685938969 570398650 /nfs/dbraw/zinc/39/86/50/570398650.db2.gz DGEHNJCIHSVLCF-BPUDTRNYSA-N 1 0 376.475 4.383 40 0 GIABRO CCOc1ccccc1CCCNC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000039762880 570446115 /nfs/dbraw/zinc/44/61/15/570446115.db2.gz OQNMNAUKMPXUDK-UHFFFAOYSA-N 1 0 394.559 4.355 40 0 GIABRO CC[NH+](CC)C(COC(=O)Nc1ccccc1)COC(=O)Nc1ccccc1 ZINC000005649710 570450305 /nfs/dbraw/zinc/45/03/05/570450305.db2.gz PVQIFGIKZVJZTB-UHFFFAOYSA-N 1 0 385.464 4.194 40 0 GIABRO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(NC(=S)Nc2ccccc2C)C3)cc1 ZINC000035291747 570460556 /nfs/dbraw/zinc/46/05/56/570460556.db2.gz NDJRDINZLOPMIJ-IHWFROFDSA-N 1 0 395.572 4.486 40 0 GIABRO O=C(Nc1nnc(SCC[NH+]2CCCCC2)s1)c1ccc(Cl)cc1 ZINC000035316089 570469860 /nfs/dbraw/zinc/46/98/60/570469860.db2.gz MHXNYRMKQJKSAC-UHFFFAOYSA-N 1 0 382.942 4.022 40 0 GIABRO CC[C@@]1(c2ccc(-[n+]3c(C)cc(-c4ccccc4)cc3C)cc2)CCC(=O)NC1=O ZINC000006791530 570493374 /nfs/dbraw/zinc/49/33/74/570493374.db2.gz NSOWFYZXROQOAP-SANMLTNESA-O 1 0 399.514 4.332 40 0 GIABRO CC1CC[NH+](Cc2ccc(C(=O)NCCOc3ccccc3Cl)cc2)CC1 ZINC000224330979 570509437 /nfs/dbraw/zinc/50/94/37/570509437.db2.gz GJQDSCNCKRFGSE-UHFFFAOYSA-N 1 0 386.923 4.381 40 0 GIABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)C1(c2ccccc2)CCOCC1 ZINC000032766689 570514015 /nfs/dbraw/zinc/51/40/15/570514015.db2.gz RMMNYGKBURUFHN-UHFFFAOYSA-N 1 0 392.543 4.037 40 0 GIABRO Cc1cccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000224536262 570517191 /nfs/dbraw/zinc/51/71/91/570517191.db2.gz FYKPPGWXVQOEJI-UHFFFAOYSA-N 1 0 386.923 4.056 40 0 GIABRO O=C(CSCc1ccc(Cl)cc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224591299 570519469 /nfs/dbraw/zinc/51/94/69/570519469.db2.gz BXELZSYAHGMMQJ-UHFFFAOYSA-N 1 0 388.964 4.485 40 0 GIABRO CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224624227 570521115 /nfs/dbraw/zinc/52/11/15/570521115.db2.gz BFKHUSXUDAVQKM-NRFANRHFSA-N 1 0 386.923 4.410 40 0 GIABRO CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224624975 570521303 /nfs/dbraw/zinc/52/13/03/570521303.db2.gz WHVXOSOMOGMCQQ-JOCHJYFZSA-N 1 0 380.532 4.373 40 0 GIABRO CCc1ccc(O[C@H](CC)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000224636113 570521478 /nfs/dbraw/zinc/52/14/78/570521478.db2.gz RHCJJUQIVBARDE-HSZRJFAPSA-N 1 0 380.532 4.319 40 0 GIABRO CCc1ccc(O[C@H](CC)C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000224800483 570531276 /nfs/dbraw/zinc/53/12/76/570531276.db2.gz IUKHOAPKQQQAPY-HSZRJFAPSA-N 1 0 380.532 4.319 40 0 GIABRO CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224836781 570533278 /nfs/dbraw/zinc/53/32/78/570533278.db2.gz BPPDSOMBSPDVSZ-HSZRJFAPSA-N 1 0 380.532 4.455 40 0 GIABRO CCOc1ccc(NC(=S)NC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000225231474 570558051 /nfs/dbraw/zinc/55/80/51/570558051.db2.gz VXIUSSGUEWIHCR-UHFFFAOYSA-N 1 0 375.563 4.098 40 0 GIABRO COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000225326468 570564874 /nfs/dbraw/zinc/56/48/74/570564874.db2.gz GGJOEQZCEKHFEN-MSOLQXFVSA-N 1 0 396.531 4.427 40 0 GIABRO C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)C1 ZINC000036741210 570569482 /nfs/dbraw/zinc/56/94/82/570569482.db2.gz CIHOOYRCGOLJIW-HXOBKFHXSA-N 1 0 396.506 4.184 40 0 GIABRO COC(=O)c1cccc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c1C ZINC000038858231 570588187 /nfs/dbraw/zinc/58/81/87/570588187.db2.gz BIQWBLUVNCLWIU-UHFFFAOYSA-N 1 0 380.488 4.410 40 0 GIABRO CC1CC[NH+](CCCOc2ccc(NC(=O)C(C)(C)Br)cc2)CC1 ZINC000225594975 570592254 /nfs/dbraw/zinc/59/22/54/570592254.db2.gz CAXLDXVMBHICON-UHFFFAOYSA-N 1 0 397.357 4.299 40 0 GIABRO CCCO[C@@](C)(C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000225672072 570601111 /nfs/dbraw/zinc/60/11/11/570601111.db2.gz ISRBTBSKIKDXRL-WZONZLPQSA-N 1 0 388.552 4.331 40 0 GIABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=S)Nc2cccc(Br)c2)C1 ZINC000225726909 570609092 /nfs/dbraw/zinc/60/90/92/570609092.db2.gz BRVVBCNCPAKKHJ-KBPBESRZSA-N 1 0 384.387 4.104 40 0 GIABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=S)Nc2ccc(Br)cc2)C1 ZINC000225726995 570609753 /nfs/dbraw/zinc/60/97/53/570609753.db2.gz STZXYVIICJINEN-KBPBESRZSA-N 1 0 384.387 4.104 40 0 GIABRO Cc1cc(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1Br ZINC000225728190 570609778 /nfs/dbraw/zinc/60/97/78/570609778.db2.gz JXHQWLOOAUFRCS-OKILXGFUSA-N 1 0 398.414 4.412 40 0 GIABRO Cc1nccn1-c1ccc(CNC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 ZINC000225753190 570613320 /nfs/dbraw/zinc/61/33/20/570613320.db2.gz TVSGSYNUDDCWFG-KRWDZBQOSA-N 1 0 389.499 4.143 40 0 GIABRO CCOc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000044851429 570636296 /nfs/dbraw/zinc/63/62/96/570636296.db2.gz TVLHBXYYFMFJKS-UHFFFAOYSA-N 1 0 394.559 4.355 40 0 GIABRO CCOC(=O)c1cccc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000044911526 570642391 /nfs/dbraw/zinc/64/23/91/570642391.db2.gz DWKLHSMCUCNUNT-UHFFFAOYSA-N 1 0 380.488 4.492 40 0 GIABRO CCOc1ccccc1CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044919952 570643395 /nfs/dbraw/zinc/64/33/95/570643395.db2.gz CTYMRIQNGDGGKM-IBGZPJMESA-N 1 0 386.923 4.267 40 0 GIABRO COc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000044933143 570643862 /nfs/dbraw/zinc/64/38/62/570643862.db2.gz TULIAJBVIRCGBA-QFBILLFUSA-N 1 0 386.923 4.438 40 0 GIABRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000045593597 570647645 /nfs/dbraw/zinc/64/76/45/570647645.db2.gz CKFILLJQRSEOSX-OAHLLOKOSA-N 1 0 389.952 4.211 40 0 GIABRO COc1ccc2cc(C[N@@H+](Cc3sccc3C)C[C@@H](C)O)c(OC)nc2c1 ZINC000057810266 570703805 /nfs/dbraw/zinc/70/38/05/570703805.db2.gz IOOWUNDSDDDEEI-OAHLLOKOSA-N 1 0 386.517 4.005 40 0 GIABRO COC1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@H](C)C3)cc2)CCC(C)CC1 ZINC000260816736 570707704 /nfs/dbraw/zinc/70/77/04/570707704.db2.gz PCLTUTSTDSKXKE-KPRXVCGWSA-N 1 0 388.552 4.331 40 0 GIABRO Cc1cnc(C(=O)N2CC[C@@H](c3cc(Nc4cccc(F)c4)cc(C)[nH+]3)C2)cn1 ZINC000257217574 570762212 /nfs/dbraw/zinc/76/22/12/570762212.db2.gz CZOBWDVHJYMQGI-MRXNPFEDSA-N 1 0 391.450 4.001 40 0 GIABRO Cc1ccccc1-c1noc([C@H]2CC[N@H+](Cc3cc4c(cc3Cl)OCO4)C2)n1 ZINC000257238837 570767406 /nfs/dbraw/zinc/76/74/06/570767406.db2.gz HMSPNMZWHJNTHN-AWEZNQCLSA-N 1 0 397.862 4.417 40 0 GIABRO O=C1CCCC[C@]2(C[N@@H+](Cc3ccc4[nH]ccc4c3)C[C@H]2c2cccc(F)c2)N1 ZINC000257277800 570774515 /nfs/dbraw/zinc/77/45/15/570774515.db2.gz NZKYMFWVYIVQBW-XUZZJYLKSA-N 1 0 391.490 4.335 40 0 GIABRO Cc1cccnc1C[NH+]1CCC2(CC(Nc3cc(C(F)(F)F)ncn3)C2)CC1 ZINC000585103839 570929509 /nfs/dbraw/zinc/92/95/09/570929509.db2.gz RZISJPWOQMELJH-UHFFFAOYSA-N 1 0 391.441 4.056 40 0 GIABRO Cc1ccc(CC(=O)N2CCC3(CC2)C[N@H+](C(C)C)Cc2ccccc23)cc1 ZINC000585105723 570932494 /nfs/dbraw/zinc/93/24/94/570932494.db2.gz CQCMJLFPWHCSNL-UHFFFAOYSA-N 1 0 376.544 4.322 40 0 GIABRO Cc1nc2c(n1C(C)C)CN(Cc1ccc(Cl)cc1)CC21CC[NH+](C)CC1 ZINC000306128405 570938149 /nfs/dbraw/zinc/93/81/49/570938149.db2.gz GZMWINPATKJSHD-UHFFFAOYSA-N 1 0 386.971 4.405 40 0 GIABRO COc1ccc(C[N@@H+]2CC[C@]3(C2)Cn2c(-c4cccc(C)c4)cnc2CO3)cc1 ZINC000306128930 570938662 /nfs/dbraw/zinc/93/86/62/570938662.db2.gz HOPYPVHPRIRCPL-DEOSSOPVSA-N 1 0 389.499 4.042 40 0 GIABRO Cc1ccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccc(F)cc4)C2)OC3)cc1 ZINC000306130781 570939242 /nfs/dbraw/zinc/93/92/42/570939242.db2.gz JPFNYXZCDJTZJU-QHCPKHFHSA-N 1 0 377.463 4.173 40 0 GIABRO Cc1ccc(C[N@@H+]2CC[C@]3(CN(C(=O)c4ccsc4)c4cccnc43)C2)s1 ZINC000306132723 570940267 /nfs/dbraw/zinc/94/02/67/570940267.db2.gz LQILQEPBYKZMOW-OAQYLSRUSA-N 1 0 395.553 4.317 40 0 GIABRO Cc1nc2c(n1C(C)C)CN(Cc1ccccn1)CC21CC[NH+](CC(C)C)CC1 ZINC000306133478 570940887 /nfs/dbraw/zinc/94/08/87/570940887.db2.gz MMWBCJHILNSHDE-UHFFFAOYSA-N 1 0 395.595 4.173 40 0 GIABRO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@H+](Cc5ccoc5)C4)nn3c2)c1 ZINC000306133484 570941094 /nfs/dbraw/zinc/94/10/94/570941094.db2.gz MMZCVNMIPRQYMZ-HXUWFJFHSA-N 1 0 388.471 4.378 40 0 GIABRO c1cc(C[N@@H+]2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cs1 ZINC000306138227 570943268 /nfs/dbraw/zinc/94/32/68/570943268.db2.gz RSSGXEVUMGLWGY-IBGZPJMESA-N 1 0 375.501 4.232 40 0 GIABRO COc1cccc(-c2ccc3nc([C@@H]4CCC[N@H+](Cc5ccncc5)C4)nn3c2)c1 ZINC000306137502 570943287 /nfs/dbraw/zinc/94/32/87/570943287.db2.gz QXWWNPPJDBPOTN-OAQYLSRUSA-N 1 0 399.498 4.180 40 0 GIABRO COc1ccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccc(C)s4)C2)OC3)cc1 ZINC000306138451 570943842 /nfs/dbraw/zinc/94/38/42/570943842.db2.gz RXUDDJMDCVYHNA-JOCHJYFZSA-N 1 0 395.528 4.104 40 0 GIABRO COc1ccc(C[N@@H+]2CC[C@]3(C2)Cn2c(-c4ccc(C)cc4)cnc2CO3)cc1 ZINC000306144155 570946578 /nfs/dbraw/zinc/94/65/78/570946578.db2.gz YXWUIISTLWHBKK-DEOSSOPVSA-N 1 0 389.499 4.042 40 0 GIABRO CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CC[N@@H+]2Cc1cccc(C)n1 ZINC000019236302 570966222 /nfs/dbraw/zinc/96/62/22/570966222.db2.gz VHTRRBDEZNFZGO-WXFUMESZSA-N 1 0 377.532 4.149 40 0 GIABRO Cc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](C1)[C@H](c1ccsc1)CN2C(=O)C1CC1 ZINC000019237250 570966804 /nfs/dbraw/zinc/96/68/04/570966804.db2.gz XLFYOZINLGYXOK-FKBYEOEOSA-N 1 0 380.557 4.283 40 0 GIABRO COc1cc(C[NH2+][C@@H](Cc2ccsc2)c2ncccc2C)cc2c1OCO2 ZINC000019237635 570967453 /nfs/dbraw/zinc/96/74/53/570967453.db2.gz QKFBXFCISPJMHI-KRWDZBQOSA-N 1 0 382.485 4.262 40 0 GIABRO Cc1ccsc1C[N@H+](CCCN1CCOCC1)Cc1cccc2ncccc12 ZINC000019238582 570967747 /nfs/dbraw/zinc/96/77/47/570967747.db2.gz BHEUKVXHELYZHD-UHFFFAOYSA-N 1 0 395.572 4.329 40 0 GIABRO [NH3+][C@H]1CCc2nc(-c3ccncc3)nc(Nc3cccc(C(F)(F)F)c3)c2C1 ZINC000019330749 570975098 /nfs/dbraw/zinc/97/50/98/570975098.db2.gz VVBCQITZYZRPSU-AWEZNQCLSA-N 1 0 385.393 4.117 40 0 GIABRO O=C(NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCC2)CC1)c1cscn1 ZINC000019332846 570975533 /nfs/dbraw/zinc/97/55/33/570975533.db2.gz QFVGLZNERSGVFW-UHFFFAOYSA-N 1 0 389.952 4.113 40 0 GIABRO COc1ccc(C[C@H](C(=O)OC2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c2ccccc2)cc1 ZINC000004492142 570975975 /nfs/dbraw/zinc/97/59/75/570975975.db2.gz GNHPJGJHBNDLTI-KFPISFJZSA-N 1 0 381.516 4.436 40 0 GIABRO C[NH+]1CCN([C@@H](c2c3ccccc3n(O)c2-c2ccccc2)c2ccccn2)CC1 ZINC000019368225 570980201 /nfs/dbraw/zinc/98/02/01/570980201.db2.gz KSPPFVMBFSONKS-RUZDIDTESA-N 1 0 398.510 4.277 40 0 GIABRO COc1ccccc1C[NH+]1CCC([C@H](NC(=O)CC(C)C)c2ccccn2)CC1 ZINC000019446706 570984201 /nfs/dbraw/zinc/98/42/01/570984201.db2.gz HDRWJRMWSHECFX-DEOSSOPVSA-N 1 0 395.547 4.206 40 0 GIABRO CC(C)CC(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000019446700 570984317 /nfs/dbraw/zinc/98/43/17/570984317.db2.gz URTHDCIJVHOKLV-QHCPKHFHSA-N 1 0 383.511 4.336 40 0 GIABRO CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](CC2CC2)C1 ZINC000019448927 570984843 /nfs/dbraw/zinc/98/48/43/570984843.db2.gz BMAUVIDVHDFHMH-RUZDIDTESA-N 1 0 391.559 4.308 40 0 GIABRO COc1ccccc1-c1ccc(C[NH+]2CCC(N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000019497386 570989964 /nfs/dbraw/zinc/98/99/64/570989964.db2.gz VCPMNXIKEUVYHL-PMACEKPBSA-N 1 0 394.559 4.436 40 0 GIABRO CCc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3C3CCSCC3)cc2n1 ZINC000019522329 570995064 /nfs/dbraw/zinc/99/50/64/570995064.db2.gz CZEMGAWBWRQKSX-HNNXBMFYSA-N 1 0 384.471 4.343 40 0 GIABRO CCCCCCOc1ccc(N2C(=O)C[C@@H]([N@H+]3C[C@@H]4CC=CC[C@@H]4C3)C2=O)cc1 ZINC000100226850 570995541 /nfs/dbraw/zinc/99/55/41/570995541.db2.gz QPMCHOOYPAUDMX-XQBPLPMBSA-N 1 0 396.531 4.176 40 0 GIABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cnn(C2CCCCC2)c1)Cc1cccnc1 ZINC000019527195 570997761 /nfs/dbraw/zinc/99/77/61/570997761.db2.gz NMRCFIOMKNYVKO-HSZRJFAPSA-N 1 0 381.568 4.270 40 0 GIABRO Cc1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]CCc3ccccc3Cl)cc12 ZINC000019565312 571007351 /nfs/dbraw/zinc/00/73/51/571007351.db2.gz QNZCAGQPWKBZHE-UHFFFAOYSA-N 1 0 392.890 4.008 40 0 GIABRO COC(=O)Cn1cc(C[NH2+]C2(c3ccccc3OC)CCCC2)c2ccccc21 ZINC000019569195 571009220 /nfs/dbraw/zinc/00/92/20/571009220.db2.gz ONSWLLHGLZFCKK-UHFFFAOYSA-N 1 0 392.499 4.382 40 0 GIABRO Cc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000019568935 571009368 /nfs/dbraw/zinc/00/93/68/571009368.db2.gz SVNKSIKXPCARBP-AWEZNQCLSA-N 1 0 376.382 4.325 40 0 GIABRO COc1ccc(CN(CC[NH+](C)C)Cc2cccs2)cc1Br ZINC000019582536 571013667 /nfs/dbraw/zinc/01/36/67/571013667.db2.gz JWBXJIJMJPFKFU-UHFFFAOYSA-N 1 0 383.355 4.083 40 0 GIABRO C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)c1cc(C2CC2)on1 ZINC000019590191 571017177 /nfs/dbraw/zinc/01/71/77/571017177.db2.gz UMTNRRLRPXBHBQ-SYYKKAFVSA-N 1 0 379.504 4.035 40 0 GIABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H]2c2cc(-c3cncnc3)cc(C)n2)cc1 ZINC000019691051 571029157 /nfs/dbraw/zinc/02/91/57/571029157.db2.gz DGLGMSYSCOBRRX-QHCPKHFHSA-N 1 0 387.487 4.143 40 0 GIABRO Cc1cc(Cc2cccc(F)c2)cc(C2CC[NH+](Cc3ccnn3C)CC2)n1 ZINC000019691852 571029635 /nfs/dbraw/zinc/02/96/35/571029635.db2.gz LOCDNNFJZUUAHB-UHFFFAOYSA-N 1 0 378.495 4.233 40 0 GIABRO CNC(=O)C1(Cc2ccccc2-c2ccncc2)CC[NH+](Cc2ccccc2)CC1 ZINC000019700195 818600169 /nfs/dbraw/zinc/60/01/69/818600169.db2.gz SNGSBFHJMIWWOK-UHFFFAOYSA-N 1 0 399.538 4.320 40 0 GIABRO O=C(CCc1ccc(Cl)cc1Cl)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000225379135 231034330 /nfs/dbraw/zinc/03/43/30/231034330.db2.gz QVJYNODXMZULOW-UHFFFAOYSA-N 1 0 391.342 4.491 40 0 GIABRO CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224787703 222662855 /nfs/dbraw/zinc/66/28/55/222662855.db2.gz BBOCFWQYODEGBO-NRFANRHFSA-N 1 0 386.923 4.410 40 0 GIABRO CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225606935 222686284 /nfs/dbraw/zinc/68/62/84/222686284.db2.gz KGBOAEKYMOGINX-DNVFCKCGSA-N 1 0 390.568 4.433 40 0 GIABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=S)Nc2cccc(Br)c2)C1 ZINC000225726855 222692580 /nfs/dbraw/zinc/69/25/80/222692580.db2.gz BRVVBCNCPAKKHJ-ZIAGYGMSSA-N 1 0 384.387 4.104 40 0 GIABRO CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225730892 222692980 /nfs/dbraw/zinc/69/29/80/222692980.db2.gz OMQCSKDHNDBDHX-JOCHJYFZSA-N 1 0 376.541 4.475 40 0 GIABRO Cc1ccc2nc(-c3ccc(-c4ccccc4)cc3)c(CN3CC[NH2+]CC3)n2c1 ZINC000022464787 212153790 /nfs/dbraw/zinc/15/37/90/212153790.db2.gz SVEIUMNPBJYNBG-UHFFFAOYSA-N 1 0 382.511 4.382 40 0 GIABRO Cn1c(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@@H]32)cc2ccccc21 ZINC000257198541 212139614 /nfs/dbraw/zinc/13/96/14/212139614.db2.gz BZWKNVPOTFOSOP-JXKFMYIUSA-N 1 0 389.543 4.214 40 0 GIABRO CCOc1cc(/C=C/c2cccc[n+]2C)ccc1OCC(=O)Nc1ccccc1 ZINC000005002329 220810053 /nfs/dbraw/zinc/81/00/53/220810053.db2.gz YTFFAJIBMLYUBA-WYMLVPIESA-O 1 0 389.475 4.098 40 0 GIABRO C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000010281899 221099951 /nfs/dbraw/zinc/09/99/51/221099951.db2.gz OQGBWPPGABATAM-QGZVFWFLSA-N 1 0 386.923 4.410 40 0 GIABRO Clc1cc2c(cc1C[NH+]1CCC(c3n[nH]cc3-c3ccncc3)CC1)OCO2 ZINC000012115967 221151779 /nfs/dbraw/zinc/15/17/79/221151779.db2.gz KSHMRMAUPXKCDZ-UHFFFAOYSA-N 1 0 396.878 4.233 40 0 GIABRO Cc1ccccc1C1(O)CC[NH+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000012292342 221175985 /nfs/dbraw/zinc/17/59/85/221175985.db2.gz PYDDBPPFPHBPHT-LJQANCHMSA-N 1 0 380.315 4.319 40 0 GIABRO Cc1ccc(C2(O)CC[NH+](Cc3ccc(OCc4ccccn4)cc3)CC2)cc1 ZINC000012292780 221176016 /nfs/dbraw/zinc/17/60/16/221176016.db2.gz UGGHQJYCCJJCAM-UHFFFAOYSA-N 1 0 388.511 4.453 40 0 GIABRO Cc1ccnn1CC[NH2+]Cc1cc(-c2cccc(F)c2)cnc1-c1ccncc1 ZINC000012337345 221183873 /nfs/dbraw/zinc/18/38/73/221183873.db2.gz TUQUKGCJSCYGMJ-UHFFFAOYSA-N 1 0 387.462 4.244 40 0 GIABRO Cc1noc(-c2cnc(NC3CC[NH+](C(C)C)CC3)nc2-c2ccco2)c1C ZINC000012186823 221163943 /nfs/dbraw/zinc/16/39/43/221163943.db2.gz JZUWLPXFISTUNA-UHFFFAOYSA-N 1 0 381.480 4.293 40 0 GIABRO CCOc1ccccc1C[NH+]1CCC(n2c3cc(Cl)ccc3oc2=O)CC1 ZINC000012184751 221164368 /nfs/dbraw/zinc/16/43/68/221164368.db2.gz MKCTUHQSYONCFI-UHFFFAOYSA-N 1 0 386.879 4.484 40 0 GIABRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)c(C)c1 ZINC000012239716 221171611 /nfs/dbraw/zinc/17/16/11/221171611.db2.gz XYXSWTGRILSBKP-IBGZPJMESA-N 1 0 385.577 4.268 40 0 GIABRO Cc1cc(C)n(-c2cccc(C[NH+]3CCC(O)(c4ccccc4F)CC3)c2)n1 ZINC000012240476 221171989 /nfs/dbraw/zinc/17/19/89/221171989.db2.gz LSQIFVPUWNFYGJ-UHFFFAOYSA-N 1 0 379.479 4.112 40 0 GIABRO CC1CC[NH+](C[C@H](O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)CC1 ZINC000012291316 221174239 /nfs/dbraw/zinc/17/42/39/221174239.db2.gz JSLHANLLQDHECK-QHCPKHFHSA-N 1 0 396.506 4.184 40 0 GIABRO Cc1cc2nc(C3CC[NH+](Cc4ccc(O)cc4)CC3)cc(C(F)(F)F)n2n1 ZINC000013226845 221264269 /nfs/dbraw/zinc/26/42/69/221264269.db2.gz ASKPFNYZXQPNSG-UHFFFAOYSA-N 1 0 390.409 4.142 40 0 GIABRO COc1cc(CN(Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1 ZINC000013992626 221295245 /nfs/dbraw/zinc/29/52/45/221295245.db2.gz XWEZMNKIVNPSNH-UHFFFAOYSA-N 1 0 397.563 4.410 40 0 GIABRO O=S(=O)(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc(Cl)ccc1Cl ZINC000015335988 221335292 /nfs/dbraw/zinc/33/52/92/221335292.db2.gz IKZFNVJCLCIZHW-UHFFFAOYSA-N 1 0 399.343 4.068 40 0 GIABRO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 ZINC000019014401 221393413 /nfs/dbraw/zinc/39/34/13/221393413.db2.gz BDBIMRNMQQDODP-NFNYSAHWSA-N 1 0 387.478 4.084 40 0 GIABRO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000019081873 221395857 /nfs/dbraw/zinc/39/58/57/221395857.db2.gz KRKFTHKVXUPRMG-WIYYLYMNSA-N 1 0 383.511 4.336 40 0 GIABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000019081955 221397076 /nfs/dbraw/zinc/39/70/76/221397076.db2.gz JPPYRTFLYWLVLC-RXVVDRJESA-N 1 0 383.511 4.336 40 0 GIABRO Cc1cc2nc(C3CC[NH+](Cc4cccc(C(F)(F)F)c4)CC3)cc(N)n2n1 ZINC000019129420 221397894 /nfs/dbraw/zinc/39/78/94/221397894.db2.gz DOBTXYVQVNWGDR-UHFFFAOYSA-N 1 0 389.425 4.018 40 0 GIABRO Cc1cccc(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1C ZINC000033223182 221777757 /nfs/dbraw/zinc/77/77/57/221777757.db2.gz PFNKQURLMYTEQL-HXUWFJFHSA-N 1 0 380.532 4.373 40 0 GIABRO Cc1cccc(C[NH+]2CCC(C(=O)NCc3ccc(OC(C)C)cc3)CC2)c1 ZINC000044932213 221958619 /nfs/dbraw/zinc/95/86/19/221958619.db2.gz WCWRGHDSVPMQLE-UHFFFAOYSA-N 1 0 380.532 4.311 40 0 GIABRO COc1ccc(C2(C(=O)Nc3ccc(OCC[NH+](C)C)cc3)CCCCC2)cc1 ZINC000065735278 222135949 /nfs/dbraw/zinc/13/59/49/222135949.db2.gz FAOHDDDMVHQXCB-UHFFFAOYSA-N 1 0 396.531 4.476 40 0 GIABRO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000072344790 222233779 /nfs/dbraw/zinc/23/37/79/222233779.db2.gz LJRHYITURAQAQH-SFHVURJKSA-N 1 0 394.544 4.123 40 0 GIABRO O=C(C[N@H+]1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1)N1CCCCC1 ZINC000072348712 222234273 /nfs/dbraw/zinc/23/42/73/222234273.db2.gz WJEMDLQZBWQCRM-FQEVSTJZSA-N 1 0 395.522 4.003 40 0 GIABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2cccc(Cc3cccc(C)c3)n2)C1 ZINC000072348758 222235101 /nfs/dbraw/zinc/23/51/01/222235101.db2.gz DSHFNVPNZKRIKI-OAQYLSRUSA-N 1 0 379.548 4.029 40 0 GIABRO NC(=O)c1cccc(-c2cccc([C@@H]3CCC[N@H+](CCc4ccccc4)C3)n2)c1 ZINC000072348690 222235382 /nfs/dbraw/zinc/23/53/82/222235382.db2.gz MKODFCDEBCDALS-JOCHJYFZSA-N 1 0 385.511 4.270 40 0 GIABRO COc1cccc(-c2noc([C@@H]3CC[N@H+](Cc4ccc5ccccc5n4)C3)n2)c1 ZINC000072369891 222241473 /nfs/dbraw/zinc/24/14/73/222241473.db2.gz FRNUGLUWGZHCGL-GOSISDBHSA-N 1 0 386.455 4.283 40 0 GIABRO CCc1nccn1-c1cccc([C@H]2CCC[N@H+](Cc3ccc(OC)cc3)C2)n1 ZINC000072379122 222245568 /nfs/dbraw/zinc/24/55/68/222245568.db2.gz KNBPVFLXYWMHFN-IBGZPJMESA-N 1 0 376.504 4.218 40 0 GIABRO CN1CCn2c(-c3ccccc3)cnc2C12CC[NH+](Cc1ccsc1)CC2 ZINC000096036979 222372368 /nfs/dbraw/zinc/37/23/68/222372368.db2.gz SKJCGQGJUXARHU-UHFFFAOYSA-N 1 0 378.545 4.048 40 0 GIABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccco3)CC2)Oc2ccccc21)N1CCCC1 ZINC000096053204 222374735 /nfs/dbraw/zinc/37/47/35/222374735.db2.gz ICIGOOSUXTVDQU-IBGZPJMESA-N 1 0 394.515 4.193 40 0 GIABRO CCN(CC)C(=O)C[C@H]1CC2(CC[NH+](Cc3ccoc3)CC2)Oc2ccccc21 ZINC000096053463 222374783 /nfs/dbraw/zinc/37/47/83/222374783.db2.gz NIRVKHMHXPFQGQ-FQEVSTJZSA-N 1 0 396.531 4.439 40 0 GIABRO CC(C)NC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccco3)CC2)Oc2ccccc21 ZINC000096053305 222375802 /nfs/dbraw/zinc/37/58/02/222375802.db2.gz SEGUSSCNIWUZNM-GOSISDBHSA-N 1 0 382.504 4.095 40 0 GIABRO Cn1cnc2c1cc(C1CC[NH+](CC3CCCCC3)CC1)nc2N1CCCC1 ZINC000096155578 222393942 /nfs/dbraw/zinc/39/39/42/222393942.db2.gz VMBIWEMNBPAVOQ-UHFFFAOYSA-N 1 0 381.568 4.328 40 0 GIABRO COc1ccc(Cl)cc1C(=O)N1CCC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408613601 533835994 /nfs/dbraw/zinc/83/59/94/533835994.db2.gz YRVWVZBFXPERER-IBGZPJMESA-N 1 0 384.907 4.012 40 0 GIABRO CC(C)c1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(NC2CCCCC2)[nH+]1 ZINC000329011489 519833108 /nfs/dbraw/zinc/83/31/08/519833108.db2.gz MFJUDUAJKUADJO-QGZVFWFLSA-N 1 0 394.563 4.383 40 0 GIABRO Cc1nc(-c2ccco2)cc([C@H]2CN3CC[C@H]2C[C@@H]3C[NH2+]C2CCCCC2)n1 ZINC000039960779 560085876 /nfs/dbraw/zinc/08/58/76/560085876.db2.gz GRSHYFFVINLNHN-SXLOBPIMSA-N 1 0 380.536 4.145 40 0 biogenic,in-vitro GIABRO Nc1ncnc2nc([C@H]3CCC[N@H+](Cc4ccccc4)C3)cc(C(F)(F)F)c12 ZINC000019743011 570212521 /nfs/dbraw/zinc/21/25/21/570212521.db2.gz RKYJKBCLEGVUDI-AWEZNQCLSA-N 1 0 387.409 4.005 40 0 GIABRO O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC000096245468 570224202 /nfs/dbraw/zinc/22/42/02/570224202.db2.gz QMUVPSDUWGLZLP-HDICACEKSA-N 1 0 389.326 4.126 40 0 GIABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)C1 ZINC000019933291 570231161 /nfs/dbraw/zinc/23/11/61/570231161.db2.gz HHFBZNQFCWSMTF-IBGZPJMESA-N 1 0 395.522 4.020 40 0 GIABRO COc1cccc2cc(C(=O)NCc3ccccc3C[NH+]3CCCCC3)oc21 ZINC000097255768 570240012 /nfs/dbraw/zinc/24/00/12/570240012.db2.gz BZMFODVAFIEDMI-UHFFFAOYSA-N 1 0 378.472 4.357 40 0 GIABRO Cc1ccccc1[C@H]1C[N@H+](Cc2cc(-c3ccccc3)cs2)[C@H](CO)[C@@H]1O ZINC000585295193 570275298 /nfs/dbraw/zinc/27/52/98/570275298.db2.gz PFISETHFTVLNOF-DNVJHFABSA-N 1 0 379.525 4.045 40 0 GIABRO COc1ccc(CN(C)C(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1OC ZINC000022519724 570319736 /nfs/dbraw/zinc/31/97/36/570319736.db2.gz WSWNSAPYJUAPNL-GOSISDBHSA-N 1 0 396.531 4.208 40 0 GIABRO CN(CCCNC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000219411353 570359764 /nfs/dbraw/zinc/35/97/64/570359764.db2.gz WOGXBUAQVPKRLL-UHFFFAOYSA-N 1 0 399.966 4.195 40 0 GIABRO O=C(NCc1nc(-c2ccccc2)no1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000219963960 570378971 /nfs/dbraw/zinc/37/89/71/570378971.db2.gz DCOHXIDWOSTMHP-UHFFFAOYSA-N 1 0 390.487 4.043 40 0 GIABRO C[NH+]1CCC(Oc2ccc(NC(=O)COc3ccccc3C(C)(C)C)cc2)CC1 ZINC000222803992 570426752 /nfs/dbraw/zinc/42/67/52/570426752.db2.gz UMYGSIDNZAQWDJ-UHFFFAOYSA-N 1 0 396.531 4.475 40 0 GIABRO CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cc[nH+]cc1 ZINC000222953748 570432899 /nfs/dbraw/zinc/43/28/99/570432899.db2.gz VJNNCOVPVGRPQM-UXHICEINSA-N 1 0 377.517 4.040 40 0 GIABRO CCSc1nnc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)s1 ZINC000223002224 570436682 /nfs/dbraw/zinc/43/66/82/570436682.db2.gz ZFXZJVASVYCHLG-CYBMUJFWSA-N 1 0 376.551 4.134 40 0 GIABRO C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2F)CC1)c1ccc2c(c1)CCC2 ZINC000223225371 570451005 /nfs/dbraw/zinc/45/10/05/570451005.db2.gz DSGFSVYRHYPZEN-QGZVFWFLSA-N 1 0 380.507 4.404 40 0 GIABRO C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2F)CC1)c1ccc2c(c1)CCC2 ZINC000223225437 570451052 /nfs/dbraw/zinc/45/10/52/570451052.db2.gz DSGFSVYRHYPZEN-KRWDZBQOSA-N 1 0 380.507 4.404 40 0 GIABRO Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653121608 570464716 /nfs/dbraw/zinc/46/47/16/570464716.db2.gz ZXCWNDSPGXIVKR-ROUUACIJSA-N 1 0 392.478 4.157 40 0 GIABRO CC(C)(C)c1ccc(OCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000224094980 570498378 /nfs/dbraw/zinc/49/83/78/570498378.db2.gz ARQCDGGKQJDMEG-UHFFFAOYSA-N 1 0 380.532 4.389 40 0 GIABRO CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224624181 570521102 /nfs/dbraw/zinc/52/11/02/570521102.db2.gz BFKHUSXUDAVQKM-OAQYLSRUSA-N 1 0 386.923 4.410 40 0 GIABRO CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224624396 570521242 /nfs/dbraw/zinc/52/12/42/570521242.db2.gz RRVQFEIARMLURY-HSZRJFAPSA-N 1 0 380.532 4.373 40 0 GIABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc(Br)cc1 ZINC000224643351 570522238 /nfs/dbraw/zinc/52/22/38/570522238.db2.gz XPYDXBDDXLXNAV-UHFFFAOYSA-N 1 0 387.321 4.365 40 0 GIABRO CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224685969 570524452 /nfs/dbraw/zinc/52/44/52/570524452.db2.gz YBUAUQXBWPBWJU-QHCPKHFHSA-N 1 0 380.532 4.455 40 0 GIABRO Fc1ccc(NC(=S)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC000033889273 570529749 /nfs/dbraw/zinc/52/97/49/570529749.db2.gz QDUXNYYNRFYEGY-XWDORNJCSA-N 1 0 385.552 4.418 40 0 GIABRO CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224837563 570533160 /nfs/dbraw/zinc/53/31/60/570533160.db2.gz PDCSQPYOUZBDOW-QHCPKHFHSA-N 1 0 396.531 4.155 40 0 GIABRO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cc[nH+]cc2)N1C1CCCC1 ZINC000225008456 570543123 /nfs/dbraw/zinc/54/31/23/570543123.db2.gz UNDOXZXZNXCDMJ-NHCUHLMSSA-N 1 0 389.528 4.182 40 0 GIABRO Fc1ccc(NC(=S)NC2CC[NH+](Cc3cccs3)CC2)cc1Cl ZINC000225230742 570558163 /nfs/dbraw/zinc/55/81/63/570558163.db2.gz JLUYCTCJWWJYML-UHFFFAOYSA-N 1 0 383.945 4.492 40 0 GIABRO C[NH+]1CCN(c2ccc(NC(=O)CCc3c(Cl)cccc3Cl)cc2)CC1 ZINC000225362416 570567512 /nfs/dbraw/zinc/56/75/12/570567512.db2.gz DTVJTNNUUFSVDB-UHFFFAOYSA-N 1 0 392.330 4.317 40 0 GIABRO COc1cccc(OC)c1CN(Cc1ccccn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000036740491 570568896 /nfs/dbraw/zinc/56/88/96/570568896.db2.gz DNGJJZYHCMGVBY-UHFFFAOYSA-N 1 0 397.563 4.410 40 0 GIABRO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c(OC)c1 ZINC000038834636 570585909 /nfs/dbraw/zinc/58/59/09/570585909.db2.gz LLNYQYIQPIFVEO-MRXNPFEDSA-N 1 0 388.895 4.208 40 0 GIABRO O=C(c1ccc(C[NH+]2CCCCCC2)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000038850804 570587803 /nfs/dbraw/zinc/58/78/03/570587803.db2.gz DNBSAGYGHYPMTH-UHFFFAOYSA-N 1 0 391.559 4.021 40 0 GIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(Br)cc1 ZINC000225580765 570590906 /nfs/dbraw/zinc/59/09/06/570590906.db2.gz VIHFVTBVGTZOEW-INIZCTEOSA-N 1 0 384.387 4.390 40 0 GIABRO CCOC(=O)c1ccc(C)c(NC(=S)NCCC[N@@H+]2CCCC[C@@H]2CC)c1 ZINC000225582893 570590837 /nfs/dbraw/zinc/59/08/37/570590837.db2.gz BPZLRJJLVIASQI-SFHVURJKSA-N 1 0 391.581 4.113 40 0 GIABRO CCC[C@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225611686 570593731 /nfs/dbraw/zinc/59/37/31/570593731.db2.gz KFEQPNZZPGPXTK-HMFYCAOWSA-N 1 0 376.541 4.187 40 0 GIABRO CO[C@]1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225635511 570596783 /nfs/dbraw/zinc/59/67/83/570596783.db2.gz PBHMGWBUHIJJRX-DNVFCKCGSA-N 1 0 388.552 4.331 40 0 GIABRO CCCO[C@]1(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CCC[C@H](C)C1 ZINC000225663607 570599607 /nfs/dbraw/zinc/59/96/07/570599607.db2.gz BYRUINFSXVJVRO-PGRDOPGGSA-N 1 0 376.541 4.331 40 0 GIABRO CCCO[C@@](C)(C(=O)Nc1ccc(OCCC[NH+](CC)CC)cc1)C1CC1 ZINC000225672485 570601646 /nfs/dbraw/zinc/60/16/46/570601646.db2.gz WXXRSSPGUHRKQX-JOCHJYFZSA-N 1 0 376.541 4.331 40 0 GIABRO CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000225692702 570604218 /nfs/dbraw/zinc/60/42/18/570604218.db2.gz UVFBFMXAIXUDBA-JOCHJYFZSA-N 1 0 376.541 4.331 40 0 GIABRO CCO[C@]1(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCC[C@H](C)C1 ZINC000225714904 570607866 /nfs/dbraw/zinc/60/78/66/570607866.db2.gz NOOYQPZFNVJIFF-WMZHIEFXSA-N 1 0 388.552 4.475 40 0 GIABRO CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000225730278 570610244 /nfs/dbraw/zinc/61/02/44/570610244.db2.gz DBOSKRQTHVLREE-QFIPXVFZSA-N 1 0 376.541 4.331 40 0 GIABRO CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000225738452 570611380 /nfs/dbraw/zinc/61/13/80/570611380.db2.gz HZEDPYWWLXQQDQ-JOCHJYFZSA-N 1 0 376.541 4.475 40 0 GIABRO C[C@H]1Cc2cc(C[N@H+](CCCn3ccnc3)Cc3ccccc3F)ccc2O1 ZINC000043277865 570626734 /nfs/dbraw/zinc/62/67/34/570626734.db2.gz IFWBOHUNBMDNKM-SFHVURJKSA-N 1 0 379.479 4.438 40 0 GIABRO Cc1ccccc1C[NH+]1CCC(C(=O)N[C@H](C)COc2ccccc2C)CC1 ZINC000044852547 570635945 /nfs/dbraw/zinc/63/59/45/570635945.db2.gz VUXGONXKCIIHIP-HXUWFJFHSA-N 1 0 380.532 4.099 40 0 GIABRO O=C(CCCOc1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872185 570637521 /nfs/dbraw/zinc/63/75/21/570637521.db2.gz NMKSBNVUEUBKEY-UHFFFAOYSA-N 1 0 386.923 4.411 40 0 GIABRO Cc1cc(OCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)ccc1Cl ZINC000044874981 570637620 /nfs/dbraw/zinc/63/76/20/570637620.db2.gz FNJNCABNLLVKBL-UHFFFAOYSA-N 1 0 386.923 4.330 40 0 GIABRO COc1ccccc1CCCNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000044906712 570641850 /nfs/dbraw/zinc/64/18/50/570641850.db2.gz KWRKHDHILSYTQH-LJQANCHMSA-N 1 0 380.532 4.290 40 0 GIABRO O=C(NCCCc1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044906471 570641925 /nfs/dbraw/zinc/64/19/25/570641925.db2.gz BQSDCLTZGGACHC-IBGZPJMESA-N 1 0 388.914 4.440 40 0 GIABRO CCOc1ccccc1CNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000044920049 570643440 /nfs/dbraw/zinc/64/34/40/570643440.db2.gz CADHUHLKQFGHLI-UHFFFAOYSA-N 1 0 386.923 4.267 40 0 GIABRO C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000045593593 570647704 /nfs/dbraw/zinc/64/77/04/570647704.db2.gz CKFILLJQRSEOSX-HNNXBMFYSA-N 1 0 389.952 4.211 40 0 GIABRO Cc1cc(NC(=S)NCCC[N@H+]2CCC[C@H](C)C2)ccc1Br ZINC000260737695 570700650 /nfs/dbraw/zinc/70/06/50/570700650.db2.gz NHIWLKWIWLRYSQ-ZDUSSCGKSA-N 1 0 384.387 4.166 40 0 GIABRO Oc1ccc(-c2n[nH]cc2C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)cc1 ZINC000057811159 570704551 /nfs/dbraw/zinc/70/45/51/570704551.db2.gz LGHPRDJYWANGFT-OAQYLSRUSA-N 1 0 381.451 4.103 40 0 GIABRO CCCO[C@@](C)(C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000260812509 570707244 /nfs/dbraw/zinc/70/72/44/570707244.db2.gz DOOYCVOGEWQIFB-WZONZLPQSA-N 1 0 388.552 4.474 40 0 GIABRO CO[C@]1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000260816732 570707340 /nfs/dbraw/zinc/70/73/40/570707340.db2.gz PBHMGWBUHIJJRX-SELNLUPBSA-N 1 0 388.552 4.331 40 0 GIABRO Cc1ccc(OCCNC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1C ZINC000260850776 570711316 /nfs/dbraw/zinc/71/13/16/570711316.db2.gz QSEBTIAEKIWTNZ-SFHVURJKSA-N 1 0 380.532 4.344 40 0 GIABRO O=C(Nc1cc(CCC2CC[NH+](C3CCCC3)CC2)ccn1)c1ccccn1 ZINC000257253808 570770564 /nfs/dbraw/zinc/77/05/64/570770564.db2.gz KAJHGBLAXJPFOS-UHFFFAOYSA-N 1 0 378.520 4.316 40 0 GIABRO COc1ccc(/C=C(/C(=O)NCCC[NH+]2CCC(C)CC2)c2ccccc2)cc1 ZINC000013673780 570771407 /nfs/dbraw/zinc/77/14/07/570771407.db2.gz OMZYXWYRHGCDTI-LYBHJNIJSA-N 1 0 392.543 4.474 40 0 GIABRO Cc1nc([C@@H]2CCC[N@H+](CC3CC3)C2)nc(C)c1CC(=O)Nc1ccc(F)cc1 ZINC000257260167 570771491 /nfs/dbraw/zinc/77/14/91/570771491.db2.gz LBPKZOKPJXOKEJ-GOSISDBHSA-N 1 0 396.510 4.003 40 0 GIABRO COc1ccccc1OCc1cc([C@H]2CC[N@H+](Cc3ccc(F)cc3)C2)n[nH]1 ZINC000257267975 570773052 /nfs/dbraw/zinc/77/30/52/570773052.db2.gz MJTDCZIJGFFTPQ-KRWDZBQOSA-N 1 0 381.451 4.126 40 0 GIABRO Cc1ncoc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@H+](C)[C@H]2Cc1ccccc1 ZINC000257274530 570773825 /nfs/dbraw/zinc/77/38/25/570773825.db2.gz NLLXVQXQISMDPE-NABGWTBKSA-N 1 0 393.531 4.072 40 0 GIABRO Cc1nc(Cc2ccccc2)sc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[N@@H+]2C ZINC000257296007 570777404 /nfs/dbraw/zinc/77/74/04/570777404.db2.gz RAUUXGZCDOLNMC-XWQURZDVSA-N 1 0 395.572 4.130 40 0 GIABRO COc1cccc(C(=O)N2CCCCC[C@H]3[NH2+][C@H](Cc4ccccc4)C[C@@H]32)c1 ZINC000019712946 570820972 /nfs/dbraw/zinc/82/09/72/570820972.db2.gz BTHKULKWHNEOJC-MZYLBHOOSA-N 1 0 378.516 4.053 40 0 GIABRO Cc1noc(C)c1C(=O)N1CCC[C@]2(CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100351 570924574 /nfs/dbraw/zinc/92/45/74/570924574.db2.gz FGCVKIGSLZGKOR-QFIPXVFZSA-N 1 0 385.483 4.091 40 0 GIABRO Cc1nc(COCC[C@@H]2CCOC23CC[NH+](Cc2cccs2)CC3)cs1 ZINC000585105211 570934513 /nfs/dbraw/zinc/93/45/13/570934513.db2.gz QICZQIKGJJCURX-QGZVFWFLSA-N 1 0 392.590 4.491 40 0 GIABRO Cn1cc2c(n1)C1(CC[NH+](Cc3ccccc3)CC1)CN(Cc1cccs1)C2 ZINC000306130488 570939381 /nfs/dbraw/zinc/93/93/81/570939381.db2.gz JHUDNUOKRZIEGT-UHFFFAOYSA-N 1 0 392.572 4.031 40 0 GIABRO Cc1nc2c(n1C(C)C)CN(Cc1cccnc1)CC21CC[NH+](CC(C)C)CC1 ZINC000306131360 570939933 /nfs/dbraw/zinc/93/99/33/570939933.db2.gz KCKNRYLJDYRRJT-UHFFFAOYSA-N 1 0 395.595 4.173 40 0 GIABRO c1ccc(CNc2ccc3nc([C@@H]4CCC[N@H+](Cc5ccccn5)C4)nn3c2)cc1 ZINC000306135365 570941999 /nfs/dbraw/zinc/94/19/99/570941999.db2.gz OORKYKDYVIYWOY-HXUWFJFHSA-N 1 0 398.514 4.116 40 0 GIABRO Cc1cccc(C[N@@H+]2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306135818 570942062 /nfs/dbraw/zinc/94/20/62/570942062.db2.gz PBWYXVGEWYJISM-QFIPXVFZSA-N 1 0 383.499 4.479 40 0 GIABRO COc1ccc(-c2cnc3n2C[C@H]2C[N@@H+](Cc4ccc(F)cc4)C[C@H]2C3)cc1 ZINC000306136528 570942901 /nfs/dbraw/zinc/94/29/01/570942901.db2.gz PVZCCAZHIHVDPR-RTBURBONSA-N 1 0 377.463 4.002 40 0 GIABRO Fc1ccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccccc4F)C2)OC3)cc1 ZINC000306139217 570944410 /nfs/dbraw/zinc/94/44/10/570944410.db2.gz SSICULXSHNCWRX-QFIPXVFZSA-N 1 0 381.426 4.003 40 0 GIABRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(-c4ccc(C)cc4)cnc2CO3)cc1 ZINC000306144156 570946507 /nfs/dbraw/zinc/94/65/07/570946507.db2.gz YXWUIISTLWHBKK-XMMPIXPASA-N 1 0 389.499 4.042 40 0 GIABRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C3CC3)[C@H]2c2ccc(C)s2)cc1 ZINC000019217354 570962409 /nfs/dbraw/zinc/96/24/09/570962409.db2.gz SEWXAUZQBDLCHP-TZIWHRDSSA-N 1 0 384.545 4.297 40 0 GIABRO Cc1c(C[N@H+]2C[C@H]3[C@H](CC[C@]3(O)c3ccc(C)cn3)C2)c2cc(C)ccc2n1C ZINC000019220354 570962673 /nfs/dbraw/zinc/96/26/73/570962673.db2.gz NTWIQRAHOAGHNT-RZTXVSJASA-N 1 0 389.543 4.228 40 0 GIABRO NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](Cc2ccccc2)C1 ZINC000019371925 570980971 /nfs/dbraw/zinc/98/09/71/570980971.db2.gz XTRMLNVUZKHIMN-VWLOTQADSA-N 1 0 385.511 4.059 40 0 GIABRO O=C(N[C@H](c1ccccn1)C1CC[NH+](Cc2ccc(F)cc2)CC1)C1CCC1 ZINC000019400826 570982645 /nfs/dbraw/zinc/98/26/45/570982645.db2.gz DDROFRCJUZCVPF-QFIPXVFZSA-N 1 0 381.495 4.090 40 0 GIABRO O=C(c1ccncc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](C3CCCCC3)CC[C@@H]21 ZINC000019405000 570983254 /nfs/dbraw/zinc/98/32/54/570983254.db2.gz NUAVZRRGZHPGER-FKBYEOEOSA-N 1 0 395.572 4.406 40 0 GIABRO CC(C)CC(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000019446690 570984370 /nfs/dbraw/zinc/98/43/70/570984370.db2.gz VZRBLQNPOUBTCJ-HSZRJFAPSA-N 1 0 383.511 4.336 40 0 GIABRO CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CC[N@@H+](CC[C@H](C)c1ccccc1)C2 ZINC000019455716 570987119 /nfs/dbraw/zinc/98/71/19/570987119.db2.gz HFGXBFDUGQTWPA-MBSDFSHPSA-N 1 0 392.547 4.102 40 0 GIABRO COc1ccc(C2(C[NH+]3CCC(NC(=O)[C@@H]4C[C@H]4C)CC3)CCCCC2)cc1 ZINC000019495849 570989408 /nfs/dbraw/zinc/98/94/08/570989408.db2.gz WMHWRTFCOBDXBB-XMSQKQJNSA-N 1 0 384.564 4.134 40 0 GIABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cnn(C2CCCCC2)c1)Cc1cccnc1 ZINC000019527196 570997637 /nfs/dbraw/zinc/99/76/37/570997637.db2.gz NMRCFIOMKNYVKO-QHCPKHFHSA-N 1 0 381.568 4.270 40 0 GIABRO Cc1ncsc1-c1nc(NC2CC[NH+](C)CC2)ncc1-c1ccc(F)cc1 ZINC000019562378 571005889 /nfs/dbraw/zinc/00/58/89/571005889.db2.gz MEYBIJQYWCJUED-UHFFFAOYSA-N 1 0 383.496 4.221 40 0 GIABRO Cc1cc([C@H](O)C[NH+]2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)c(C)s1 ZINC000019567838 571008862 /nfs/dbraw/zinc/00/88/62/571008862.db2.gz ZPBVWWLJPIATIQ-GOSISDBHSA-N 1 0 399.478 4.401 40 0 GIABRO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+]1CCC[C@@H](Cn2ccnc2C)C1 ZINC000019659063 571025017 /nfs/dbraw/zinc/02/50/17/571025017.db2.gz QNGWKNYKJHDECJ-OAQYLSRUSA-N 1 0 377.536 4.215 40 0 GIABRO Cc1noc(C)c1COc1ccc(C[NH+]2CCC(Cn3ccnc3C)CC2)cc1 ZINC000019715497 571037190 /nfs/dbraw/zinc/03/71/90/571037190.db2.gz IEWKAJUUZMXHCN-UHFFFAOYSA-N 1 0 394.519 4.288 40 0 GIABRO CC(C)Oc1ccc(C[N@@H+]2CC[C@H](c3c4cccnc4sc3C(N)=O)C2)cc1 ZINC000019702567 818600718 /nfs/dbraw/zinc/60/07/18/818600718.db2.gz BJZHYLHWVKQVBK-INIZCTEOSA-N 1 0 395.528 4.172 40 0 GIABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@@H](c2cc(COc3ccccc3)[nH]n2)C1 ZINC000019704375 818601502 /nfs/dbraw/zinc/60/15/02/818601502.db2.gz ONJMTGZHJOOONH-LJQANCHMSA-N 1 0 393.535 4.372 40 0 GIABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@H](c2cc(COc3ccccc3)[nH]n2)C1 ZINC000019704376 818601785 /nfs/dbraw/zinc/60/17/85/818601785.db2.gz ONJMTGZHJOOONH-IBGZPJMESA-N 1 0 393.535 4.372 40 0 GIABRO O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1cccc(F)c1)C[N@@H+]2Cc1ccc(F)c(F)c1 ZINC000019712328 818602420 /nfs/dbraw/zinc/60/24/20/818602420.db2.gz KSZBKNQOXRKWIN-WEYGHZABSA-N 1 0 388.433 4.131 40 0 GIABRO COc1ccccc1-c1ccc(C[N@@H+]2CCCC[C@@H]3[C@H]2CCN3C(C)=O)cc1 ZINC000019712522 818602454 /nfs/dbraw/zinc/60/24/54/818602454.db2.gz VNZDMCNUDQBWJC-DHIUTWEWSA-N 1 0 378.516 4.338 40 0 GIABRO Cc1nc(C)c(C(=O)N2[C@H](Cc3ccccc3)C[C@H]3[C@H]2CCCCC[N@H+]3C)s1 ZINC000019712918 818603254 /nfs/dbraw/zinc/60/32/54/818603254.db2.gz BRBTWJFUJVMYEW-NJYVYQBISA-N 1 0 397.588 4.460 40 0 GIABRO Cc1nc(CC(=O)N2[C@H](c3ccccc3)C[C@]3(C)[NH2+]CCCCC[C@H]23)cs1 ZINC000019713511 818603340 /nfs/dbraw/zinc/60/33/40/818603340.db2.gz FLNHNACKHHEOPU-ONTIZHBOSA-N 1 0 383.561 4.259 40 0 GIABRO CCCC[C@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000225618620 222686566 /nfs/dbraw/zinc/68/65/66/222686566.db2.gz ZRAHWDNVMPWOAJ-QFIPXVFZSA-N 1 0 376.541 4.331 40 0 GIABRO CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225618917 222686834 /nfs/dbraw/zinc/68/68/34/222686834.db2.gz GNTBARDQRCIOOE-JOCHJYFZSA-N 1 0 376.541 4.475 40 0 GIABRO CCO[C@@]1(C(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)CCC[C@H](C)C1 ZINC000225714624 222692921 /nfs/dbraw/zinc/69/29/21/222692921.db2.gz YWINJQFPQLDMKL-AVRDEDQJSA-N 1 0 376.541 4.331 40 0 GIABRO Cn1cc(C[NH+]2CCC(c3cncc(Nc4ccccn4)n3)CC2)c2ccccc21 ZINC000257279793 222768573 /nfs/dbraw/zinc/76/85/73/222768573.db2.gz OIEXBUWMLIKTFZ-UHFFFAOYSA-N 1 0 398.514 4.487 40 0 GIABRO c1nc2c(n1CC1CC1)C1(CC[NH+](Cc3ccccn3)CC1)Oc1ccccc1-2 ZINC000306125650 222795228 /nfs/dbraw/zinc/79/52/28/222795228.db2.gz CWXDENOLLBGTJG-UHFFFAOYSA-N 1 0 386.499 4.239 40 0 GIABRO c1csc(C[N@@H+]2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306134000 222798950 /nfs/dbraw/zinc/79/89/50/222798950.db2.gz NBKZYTRYLIXLLK-SFHVURJKSA-N 1 0 375.501 4.232 40 0 GIABRO COc1cc2cc(-c3cc(OC)c(OC)c(OC)c3)c3c(c2cc1OC)C[NH2+]C3 ZINC000001740637 212254222 /nfs/dbraw/zinc/25/42/22/212254222.db2.gz AECCJUJXNOJGBB-UHFFFAOYSA-N 1 0 395.455 4.153 40 0 in-vivo GIABRO CC1CC[NH+](C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)c2cccc(F)c2)CC1 ZINC000012291551 221175076 /nfs/dbraw/zinc/17/50/76/221175076.db2.gz ADWMWGGIFXIUCY-HSZRJFAPSA-N 1 0 396.506 4.184 40 0 GIABRO COc1ccccc1C1(O)CC[NH+](C[C@@H](O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000012292267 221175550 /nfs/dbraw/zinc/17/55/50/221175550.db2.gz NFKJCWGYZJEMCH-OAQYLSRUSA-N 1 0 383.532 4.010 40 0 GIABRO COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccc(OC(C)C)c2)cc1 ZINC000012293181 221175612 /nfs/dbraw/zinc/17/56/12/221175612.db2.gz KCTBQQXIRGFLJW-SVGJNIJCSA-N 1 0 381.516 4.497 40 0 GIABRO O[C@H](C[NH+]1CCC2(CC1)C[C@H](O)c1ccc3ccccc3c1O2)c1ccccc1 ZINC000012293367 221175713 /nfs/dbraw/zinc/17/57/13/221175713.db2.gz MBPVCSLHIRXDDK-XZOQPEGZSA-N 1 0 389.495 4.224 40 0 GIABRO Cc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(Cl)cc3)CC1)O2 ZINC000012329817 221182137 /nfs/dbraw/zinc/18/21/37/221182137.db2.gz PNAIPXYJYHICDW-PMACEKPBSA-N 1 0 387.907 4.033 40 0 GIABRO COc1cc(C)c(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)cc1OC ZINC000012345416 221183455 /nfs/dbraw/zinc/18/34/55/221183455.db2.gz SCPIFXXNLRNOGF-NHJWOMDBSA-N 1 0 385.479 4.166 40 0 GIABRO COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc(OC)c(OC)cc2C)cc1 ZINC000012345408 221183501 /nfs/dbraw/zinc/18/35/01/221183501.db2.gz NLTCMKPUGAGDDB-VXMMSVGHSA-N 1 0 397.515 4.035 40 0 GIABRO Cc1ccc(C[NH+]2CCC(O)(Cn3ccc4nc(Cl)ccc43)CC2)s1 ZINC000012337938 221183851 /nfs/dbraw/zinc/18/38/51/221183851.db2.gz SBCPTDDOGUKMAT-UHFFFAOYSA-N 1 0 375.925 4.087 40 0 GIABRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC(O)(c2ccc(C)cc2)CC1 ZINC000012344524 221183891 /nfs/dbraw/zinc/18/38/91/221183891.db2.gz TWRZVBODJPNKAR-UHFFFAOYSA-N 1 0 393.506 4.420 40 0 GIABRO COc1ccc(CN(Cc2cnn(C)c2C)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000012186548 221163718 /nfs/dbraw/zinc/16/37/18/221163718.db2.gz QGTKZSGFAILGTD-UHFFFAOYSA-N 1 0 384.568 4.049 40 0 GIABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000012219478 221169251 /nfs/dbraw/zinc/16/92/51/221169251.db2.gz YURWOMKNUMAKDS-UHFFFAOYSA-N 1 0 377.463 4.001 40 0 GIABRO O=C(CSCc1c(Cl)cccc1Cl)NCCC[NH+]1CCCCC1 ZINC000013645953 221279155 /nfs/dbraw/zinc/27/91/55/221279155.db2.gz YHGAJOMUMGAGSM-UHFFFAOYSA-N 1 0 375.365 4.219 40 0 GIABRO Cc1cc2c(cc1CN(Cc1ccncc1)C1CC(C)(C)[NH2+]C(C)(C)C1)OCO2 ZINC000013992730 221295328 /nfs/dbraw/zinc/29/53/28/221295328.db2.gz OPDIOFNMINXHHX-UHFFFAOYSA-N 1 0 395.547 4.430 40 0 GIABRO COC(=O)c1ccc(CN(Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000013992685 221296109 /nfs/dbraw/zinc/29/61/09/221296109.db2.gz KFKLHUYTJGCNPN-UHFFFAOYSA-N 1 0 395.547 4.180 40 0 GIABRO COc1cc(CN(Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1 ZINC000013992691 221296289 /nfs/dbraw/zinc/29/62/89/221296289.db2.gz BBZHTYNBVJYRPZ-UHFFFAOYSA-N 1 0 397.563 4.410 40 0 GIABRO CC(C)NC(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccc(C(C)(C)C)cc2)on1 ZINC000015673730 221339297 /nfs/dbraw/zinc/33/92/97/221339297.db2.gz NZXKMWWANNMNKJ-OALUTQOASA-N 1 0 397.563 4.322 40 0 biogenic,in-vitro GIABRO Cc1cc(C(F)(F)F)n2nc([C@@H]3CC[N@H+](Cc4ccccc4F)C3)cc2n1 ZINC000019117142 221396159 /nfs/dbraw/zinc/39/61/59/221396159.db2.gz FBVVNIFPZQZTFR-CQSZACIVSA-N 1 0 378.373 4.185 40 0 GIABRO Cc1nc([C@H]2CCCC[N@H+]2CC(C)C)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019764911 221451767 /nfs/dbraw/zinc/45/17/67/221451767.db2.gz QNMGCMQJVITXDI-HXUWFJFHSA-N 1 0 384.499 4.037 40 0 GIABRO CC(C)Oc1ccc(CCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000044916537 221958314 /nfs/dbraw/zinc/95/83/14/221958314.db2.gz JFGGWOZLQXQQFD-UHFFFAOYSA-N 1 0 380.532 4.432 40 0 GIABRO C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000043744354 221950070 /nfs/dbraw/zinc/95/00/70/221950070.db2.gz NMJASIOPLDLLSA-KRWDZBQOSA-N 1 0 386.923 4.410 40 0 GIABRO CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872980 221955630 /nfs/dbraw/zinc/95/56/30/221955630.db2.gz OILQDRVPNWROMF-JOCHJYFZSA-N 1 0 380.532 4.373 40 0 GIABRO COc1cc2c(cc1C[NH+]1CCC(c3cc4ncc(C)nc4[nH]3)CC1)CCC2 ZINC000057774893 222036649 /nfs/dbraw/zinc/03/66/49/222036649.db2.gz WYIXNUMXWRENRB-UHFFFAOYSA-N 1 0 376.504 4.143 40 0 GIABRO COc1ccccc1C[N@@H+]1CCC[C@H]([C@@H](NC(=O)CC(C)C)c2ccccn2)C1 ZINC000072330381 222228755 /nfs/dbraw/zinc/22/87/55/222228755.db2.gz OWBSAKCTQZGDKT-GBXCKJPGSA-N 1 0 395.547 4.206 40 0 GIABRO O=C(C[NH+]1CCCC1)N1CCC(c2cccc(Cc3ccccc3Cl)n2)CC1 ZINC000072349735 222236088 /nfs/dbraw/zinc/23/60/88/222236088.db2.gz WVVFYOQNDTVWCJ-UHFFFAOYSA-N 1 0 397.950 4.128 40 0 GIABRO CNc1ncccc1C[N@@H+]1CCC[C@H]1c1cccc(Cc2cccc(OC)c2)n1 ZINC000072358225 222239954 /nfs/dbraw/zinc/23/99/54/222239954.db2.gz BGAWZMNNCKVFKY-QHCPKHFHSA-N 1 0 388.515 4.455 40 0 GIABRO CCn1cc(C[N@@H+]2CCC[C@@H]2c2cccc(Nc3cccc(C)n3)n2)c(C)n1 ZINC000072375411 222243494 /nfs/dbraw/zinc/24/34/94/222243494.db2.gz BTUMVXXSVRFGDH-HXUWFJFHSA-N 1 0 376.508 4.391 40 0 GIABRO CCc1nccn1-c1cccc([C@@H]2CCC[N@@H+]2CCOc2ccc(F)cc2)n1 ZINC000072379223 222245292 /nfs/dbraw/zinc/24/52/92/222245292.db2.gz LAIIGWLQTUBAQA-FQEVSTJZSA-N 1 0 380.467 4.185 40 0 GIABRO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CCc2ccc(Br)cc2)C1 ZINC000089212705 222327813 /nfs/dbraw/zinc/32/78/13/222327813.db2.gz HBFMRIMVTMFVLR-MRXNPFEDSA-N 1 0 397.357 4.228 40 0 GIABRO CCN1CCn2c(-c3ccccc3)cnc2C12CC[NH+](Cc1cccs1)CC2 ZINC000096037027 222373417 /nfs/dbraw/zinc/37/34/17/222373417.db2.gz KORGYXBRUXMIPX-UHFFFAOYSA-N 1 0 392.572 4.438 40 0 GIABRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@@H](CC(=O)N(C)C)c2ccccc2O3)s1 ZINC000096053156 222374690 /nfs/dbraw/zinc/37/46/90/222374690.db2.gz LFFIFESIRNWHAP-GOSISDBHSA-N 1 0 398.572 4.436 40 0 GIABRO COc1ccc(C[NH+]2CCC3(CCN(C(=O)c4ccsc4)CC3)CC2)cc1 ZINC000096047274 222374699 /nfs/dbraw/zinc/37/46/99/222374699.db2.gz REZHBHJJLOAFBG-UHFFFAOYSA-N 1 0 384.545 4.275 40 0 GIABRO CC(C)CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccco3)CC2)Oc2ccccc21 ZINC000096053504 222374824 /nfs/dbraw/zinc/37/48/24/222374824.db2.gz VOFYJOWDOPTSLX-LJQANCHMSA-N 1 0 396.531 4.343 40 0 GIABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccco3)CC2)Oc2ccccc21)NC1CCC1 ZINC000096053375 222375739 /nfs/dbraw/zinc/37/57/39/222375739.db2.gz FFLNYKROIJCXGE-GOSISDBHSA-N 1 0 394.515 4.239 40 0 GIABRO Cc1ccccc1C[N@@H+]1CCC[C@@]12CCN(C(=O)Cc1ccc(Cl)cc1)C2 ZINC000096071060 222376027 /nfs/dbraw/zinc/37/60/27/222376027.db2.gz JQOUSPMWDPSMLC-QHCPKHFHSA-N 1 0 382.935 4.458 40 0 GIABRO COc1ccc(C[NH+]2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)cc1 ZINC000096100274 222379756 /nfs/dbraw/zinc/37/97/56/222379756.db2.gz BRVHEBBFCGDFHL-QHCPKHFHSA-N 1 0 390.527 4.271 40 0 GIABRO Fc1cccc(-c2ccc3nc(C4CC[NH+](Cc5cccnc5)CC4)nn3c2)c1 ZINC000096155760 222392491 /nfs/dbraw/zinc/39/24/91/222392491.db2.gz VWMGOKMSJJIBTR-UHFFFAOYSA-N 1 0 387.462 4.310 40 0 GIABRO O=C(C[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21)Nc1cccc2cnccc21 ZINC000096156850 222393952 /nfs/dbraw/zinc/39/39/52/222393952.db2.gz DXNHBQRBCFHMMJ-SFHVURJKSA-N 1 0 387.483 4.252 40 0 GIABRO Cc1ccc(C2(C(=O)Nc3ccc(OCCC[NH+](C)C)cc3)CCOCC2)cc1 ZINC000110306817 222515242 /nfs/dbraw/zinc/51/52/42/222515242.db2.gz GABDEOJLCBDXNA-UHFFFAOYSA-N 1 0 396.531 4.012 40 0 GIABRO O=C(c1ccccc1Br)N1CCC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408605827 534748220 /nfs/dbraw/zinc/74/82/20/534748220.db2.gz GVSLXJQFBCTSEP-GOSISDBHSA-N 1 0 399.332 4.112 40 0 GIABRO CC[NH+]1CCN(c2c3c(nc4cc(-c5cccc(Cl)c5)nn42)CCCC3)CC1 ZINC000004980778 535743334 /nfs/dbraw/zinc/74/33/34/535743334.db2.gz VZDNGQJDHVWWIK-UHFFFAOYSA-N 1 0 395.938 4.070 40 0 GIABRO C[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000105686846 536422032 /nfs/dbraw/zinc/42/20/32/536422032.db2.gz UAWYZGSRYABFGS-VGOFMYFVSA-N 1 0 377.532 4.388 40 0 GIABRO CC(C)c1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(NC2CCCCC2)[nH+]1 ZINC000329011488 570212247 /nfs/dbraw/zinc/21/22/47/570212247.db2.gz MFJUDUAJKUADJO-KRWDZBQOSA-N 1 0 394.563 4.383 40 0 GIABRO COc1ccc([C@H]2CCCN2C(=O)CC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000019748242 570214253 /nfs/dbraw/zinc/21/42/53/570214253.db2.gz DAQUHURBUFKBJY-HSZRJFAPSA-N 1 0 393.531 4.056 40 0 GIABRO Cc1cccc(C[N@@H+]2CC[C@]3(C2)COCc2c(C)nc(-c4ccccc4)nc23)c1 ZINC000096244663 570224267 /nfs/dbraw/zinc/22/42/67/570224267.db2.gz HNYTZJGOPVRFFI-VWLOTQADSA-N 1 0 385.511 4.434 40 0 GIABRO CCn1ncc(C[N@@H+]2CCC[C@H](c3cccc(Nc4ncc(C)s4)n3)C2)c1C ZINC000585262718 570230072 /nfs/dbraw/zinc/23/00/72/570230072.db2.gz XSFJNBQLONPBKG-KRWDZBQOSA-N 1 0 396.564 4.495 40 0 GIABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)C1 ZINC000020104293 570239771 /nfs/dbraw/zinc/23/97/71/570239771.db2.gz MPLMSIYUUIHLQX-LJQANCHMSA-N 1 0 395.522 4.020 40 0 GIABRO O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000585290097 570257896 /nfs/dbraw/zinc/25/78/96/570257896.db2.gz RWIVWNGKLVJDBI-XUVXKRRUSA-N 1 0 380.315 4.487 40 0 GIABRO Cc1cc(OC[C@]2(O)COCC[N@@H+]([C@H]3CC[C@H](C(C)(C)C)CC3)C2)ccc1F ZINC000585287544 570258629 /nfs/dbraw/zinc/25/86/29/570258629.db2.gz OEPPLCYXPUVWAI-DNVFCKCGSA-N 1 0 393.543 4.181 40 0 GIABRO COc1cccc(-c2noc([C@H]3CC[N@H+](Cc4ccc5ncccc5c4)C3)n2)c1 ZINC000072369900 570339762 /nfs/dbraw/zinc/33/97/62/570339762.db2.gz KWGDUAWYJQYBAH-IBGZPJMESA-N 1 0 386.455 4.283 40 0 GIABRO COc1cccc(-c2noc([C@@H]3CC[N@H+](Cc4ccnc5ccccc45)C3)n2)c1 ZINC000072369905 570340036 /nfs/dbraw/zinc/34/00/36/570340036.db2.gz MBCSQTJNLDYDEB-GOSISDBHSA-N 1 0 386.455 4.283 40 0 GIABRO COc1ccccc1OCCc1cc([C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH]n1 ZINC000072371191 570340062 /nfs/dbraw/zinc/34/00/62/570340062.db2.gz ORFSXAAJCIBGBU-LJQANCHMSA-N 1 0 377.488 4.029 40 0 GIABRO C[NH+]1CCN(c2ccc(NC(=O)CCSc3ccc(Cl)cc3)cc2)CC1 ZINC000023134548 570346142 /nfs/dbraw/zinc/34/61/42/570346142.db2.gz HJGMQFVAFIIWLF-UHFFFAOYSA-N 1 0 389.952 4.213 40 0 GIABRO O=C(CN1CC[NH+](C2CCCCC2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000022586039 570348313 /nfs/dbraw/zinc/34/83/13/570348313.db2.gz OKBOJMWPZWLTNW-UHFFFAOYSA-N 1 0 393.531 4.368 40 0 GIABRO CC(C)(C)[NH2+]C[C@H](O)c1cc(OC(=O)C(C)(C)C)cc(OC(=O)C(C)(C)C)c1 ZINC000003623546 570348824 /nfs/dbraw/zinc/34/88/24/570348824.db2.gz VJJOKWOJJZKXNV-KRWDZBQOSA-N 1 0 393.524 4.011 40 0 in-man GIABRO CC[C@H](c1nnnn1C(C)(C)CC)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057669822 570367101 /nfs/dbraw/zinc/36/71/01/570367101.db2.gz NSXHWGWHJDYJAZ-QGZVFWFLSA-N 1 0 390.963 4.053 40 0 GIABRO COc1cc(CNc2[nH+]cc(-c3ccc(Br)cc3)n2C)ccc1O ZINC000000819081 570413123 /nfs/dbraw/zinc/41/31/23/570413123.db2.gz LRORTBBLKCSELQ-UHFFFAOYSA-N 1 0 388.265 4.176 40 0 GIABRO COC(=O)c1cn(C(=O)C2CC[NH+](Cc3ccccc3C)CC2)c2ccccc12 ZINC000222624712 570417331 /nfs/dbraw/zinc/41/73/31/570417331.db2.gz XTBGOGDYNKQSNJ-UHFFFAOYSA-N 1 0 390.483 4.289 40 0 GIABRO COC(=O)c1cn(C(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c2ccccc12 ZINC000222640147 570418268 /nfs/dbraw/zinc/41/82/68/570418268.db2.gz HMUFFRSKKRBFAY-KRWDZBQOSA-N 1 0 394.446 4.119 40 0 GIABRO O=C(Nc1cccc(Br)c1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039763198 570445992 /nfs/dbraw/zinc/44/59/92/570445992.db2.gz XRMCILYDORIUMQ-UHFFFAOYSA-N 1 0 391.284 4.439 40 0 GIABRO CCOc1ccccc1CCCNC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039750321 570447410 /nfs/dbraw/zinc/44/74/10/570447410.db2.gz QJZZUCRHOSZOSR-UHFFFAOYSA-N 1 0 398.522 4.185 40 0 GIABRO COc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2OC)cc1 ZINC000035289814 570455460 /nfs/dbraw/zinc/45/54/60/570455460.db2.gz IXFVKFLUZIIHDJ-SEJPIABJSA-N 1 0 394.515 4.019 40 0 GIABRO Cc1cccc(CNc2cc(-c3ccccc3)nc(NCCC[NH+](C)C)n2)c1 ZINC000242934680 570457096 /nfs/dbraw/zinc/45/70/96/570457096.db2.gz GZXILTJWWAHPEA-UHFFFAOYSA-N 1 0 375.520 4.428 40 0 GIABRO Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653121607 570464820 /nfs/dbraw/zinc/46/48/20/570464820.db2.gz ZXCWNDSPGXIVKR-QZTJIDSGSA-N 1 0 392.478 4.157 40 0 GIABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3nnc(-c4ccccc4)s3)CC2)c1 ZINC000223874755 570488500 /nfs/dbraw/zinc/48/85/00/570488500.db2.gz GHEFOHPAGDXDED-UHFFFAOYSA-N 1 0 392.528 4.364 40 0 GIABRO CC(C)c1ccccc1OCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000139008856 570492424 /nfs/dbraw/zinc/49/24/24/570492424.db2.gz ANXDMMYGBCPDPB-UHFFFAOYSA-N 1 0 380.532 4.491 40 0 GIABRO Cc1ccc(C)c(OCCNC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000224020669 570495047 /nfs/dbraw/zinc/49/50/47/570495047.db2.gz RBWSXUHTVOUVQZ-LJQANCHMSA-N 1 0 380.532 4.344 40 0 GIABRO CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000030866265 570499944 /nfs/dbraw/zinc/49/99/44/570499944.db2.gz UIQWFEHYMMBADH-SELNLUPBSA-N 1 0 382.548 4.481 40 0 GIABRO CCOc1ccc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1Cl ZINC000224419963 570512786 /nfs/dbraw/zinc/51/27/86/570512786.db2.gz CGRFZANVVJVIPH-UHFFFAOYSA-N 1 0 388.895 4.464 40 0 GIABRO CCc1ccc(O[C@@H](CC)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000224636072 570521517 /nfs/dbraw/zinc/52/15/17/570521517.db2.gz RHCJJUQIVBARDE-QHCPKHFHSA-N 1 0 380.532 4.319 40 0 GIABRO CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224787145 570530820 /nfs/dbraw/zinc/53/08/20/570530820.db2.gz AIQPPODSNVCAHK-IBGZPJMESA-N 1 0 380.532 4.490 40 0 GIABRO CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224837519 570533183 /nfs/dbraw/zinc/53/31/83/570533183.db2.gz PDCSQPYOUZBDOW-HSZRJFAPSA-N 1 0 396.531 4.155 40 0 GIABRO Cc1ccc(O[C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1C ZINC000224840344 570533416 /nfs/dbraw/zinc/53/34/16/570533416.db2.gz RTQYKOXPGJQMAE-HXUWFJFHSA-N 1 0 380.532 4.373 40 0 GIABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(N4CCCC4)cc3)CC2)c1 ZINC000224926372 570538139 /nfs/dbraw/zinc/53/81/39/570538139.db2.gz MBGTZCKMNAUDLH-UHFFFAOYSA-N 1 0 377.532 4.446 40 0 GIABRO CC1(C)CC(N(Cc2ccc3c(c2)CCO3)Cc2ccccn2)CC(C)(C)[NH2+]1 ZINC000036740511 570569532 /nfs/dbraw/zinc/56/95/32/570569532.db2.gz ZPLUWGDDMAAGON-UHFFFAOYSA-N 1 0 379.548 4.328 40 0 GIABRO COc1ccc(OC)c(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000038834761 570586360 /nfs/dbraw/zinc/58/63/60/570586360.db2.gz MJHNNPGKCBPEGG-MRXNPFEDSA-N 1 0 388.895 4.208 40 0 GIABRO CC1CC[NH+](Cc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)CC1 ZINC000038851377 570587821 /nfs/dbraw/zinc/58/78/21/570587821.db2.gz CMALRZIDMSPPBM-UHFFFAOYSA-N 1 0 395.522 4.020 40 0 GIABRO COC(=O)c1cccc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1C ZINC000038858234 570588262 /nfs/dbraw/zinc/58/82/62/570588262.db2.gz WPDKWRDFVACFTC-UHFFFAOYSA-N 1 0 380.488 4.266 40 0 GIABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cccc(Br)c1 ZINC000225580684 570590814 /nfs/dbraw/zinc/59/08/14/570590814.db2.gz MAOODCIUJXMZBY-INIZCTEOSA-N 1 0 384.387 4.390 40 0 GIABRO CCOC(=O)c1ccc(NC(=S)NCCC[N@@H+]2CCCC[C@@H]2CC)c(C)c1 ZINC000225582951 570590959 /nfs/dbraw/zinc/59/09/59/570590959.db2.gz NIFJEFNTIXAGHB-SFHVURJKSA-N 1 0 391.581 4.113 40 0 GIABRO C[C@@H]1C[C@H](C)C[N@@H+](CCOc2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)C1 ZINC000225590075 570591766 /nfs/dbraw/zinc/59/17/66/570591766.db2.gz WFCQXAGVPCWBLJ-BETUJISGSA-N 1 0 393.742 4.352 40 0 GIABRO C[C@@H]1CCCC[N@@H+]1CCOc1ccc(NC(=O)C(C)(C)Br)cc1 ZINC000225594528 570592353 /nfs/dbraw/zinc/59/23/53/570592353.db2.gz BXQRSWBPEKHTIH-CQSZACIVSA-N 1 0 383.330 4.052 40 0 GIABRO CO[C@@]1(C(=O)Nc2ccc(OCC[NH+]3CCC(C)CC3)cc2)CCC[C@@H](C)C1 ZINC000225635350 570596866 /nfs/dbraw/zinc/59/68/66/570596866.db2.gz CBQJPURPEFSDTG-XXBNENTESA-N 1 0 388.552 4.331 40 0 GIABRO CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000225698898 570604978 /nfs/dbraw/zinc/60/49/78/570604978.db2.gz ZQQKSBLKFARXBS-JOCHJYFZSA-N 1 0 376.541 4.475 40 0 GIABRO CCO[C@@](C)(C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000225723614 570609286 /nfs/dbraw/zinc/60/92/86/570609286.db2.gz DQENGGJDUZDQRN-IEGUWTFLSA-N 1 0 388.552 4.187 40 0 GIABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=S)Nc2cccc(Br)c2)C1 ZINC000225726883 570609390 /nfs/dbraw/zinc/60/93/90/570609390.db2.gz BRVVBCNCPAKKHJ-OKILXGFUSA-N 1 0 384.387 4.104 40 0 GIABRO Fc1ccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)cc1Cl ZINC000225743110 570612141 /nfs/dbraw/zinc/61/21/41/570612141.db2.gz JMCOFBNPHQZZFI-UHFFFAOYSA-N 1 0 377.916 4.214 40 0 GIABRO COc1ccc(CCCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1OC ZINC000044851784 570636127 /nfs/dbraw/zinc/63/61/27/570636127.db2.gz MYEQGTHFEAHMEI-UHFFFAOYSA-N 1 0 396.531 4.052 40 0 GIABRO CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875295 570637618 /nfs/dbraw/zinc/63/76/18/570637618.db2.gz AXRDOEPQBNLORC-JOCHJYFZSA-N 1 0 380.532 4.455 40 0 GIABRO 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