smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]Cc3ccccc3OC(F)(F)F)[C@@H](O)[C@H]2O1 ZINC000225512893 291321015 /nfs/dbraw/zinc/32/10/15/291321015.db2.gz UMCAVCFWUUSMSA-ZLJHSHKTSA-N 1 0 432.439 1.875 40 0 biogenic,in-vitro IDABRO CC(=O)NCCNC(=O)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008299033 291319704 /nfs/dbraw/zinc/31/97/04/291319704.db2.gz GGVUMNRVZYUWIY-QFUCXCTJSA-N 1 0 442.589 1.533 40 0 biogenic,in-vitro IDABRO CN1CCN(C(=O)[C@@H]2CCC[C@@H]([NH2+]Cc3cccc4c3OCO4)CN(C)C(=O)C2)CC1 ZINC000225406244 291322414 /nfs/dbraw/zinc/32/24/14/291322414.db2.gz ZPAOLZRGOZXFQI-IEBWSBKVSA-N 1 0 430.549 1.296 40 0 biogenic,in-vitro IDABRO COc1ccccc1N1CCN(C(=O)[C@H]2O[C@H](CC[NH+]3CCC(O)CC3)CC[C@@H]2O)CC1 ZINC000030879108 291325043 /nfs/dbraw/zinc/32/50/43/291325043.db2.gz GMGUCQDAQKYJML-RRPUWOKSSA-N 1 0 447.576 1.099 40 0 biogenic,in-vitro IDABRO Cn1cc(CNC(=O)C[C@@H]2C[C@H]3O[C@H](C[NH2+]Cc4ccccc4Cl)[C@@H](O)[C@H]3O2)cn1 ZINC000225517065 291326686 /nfs/dbraw/zinc/32/66/86/291326686.db2.gz JXYTVZVACUGEOD-MAWREPJSSA-N 1 0 434.924 1.155 40 0 biogenic,in-vitro IDABRO O=C(C[C@@H]1C[C@H]2O[C@H](C[NH2+]Cc3ccccc3C(F)(F)F)[C@@H](O)[C@H]2O1)N1CCOCC1 ZINC000225513971 291326860 /nfs/dbraw/zinc/32/68/60/291326860.db2.gz KPCNPKIGGJAUKV-UZKILMIQSA-N 1 0 444.450 1.330 40 0 biogenic,in-vitro IDABRO O=C(C[C@@H]1C[C@H]2O[C@H](C[NH2+]Cc3cnccc3Cl)[C@@H](O)[C@H]2O1)N1CCC(F)(F)C1 ZINC000225518200 291327200 /nfs/dbraw/zinc/32/72/00/291327200.db2.gz JESNYIJHIQEEIA-UUWMRLDISA-N 1 0 431.867 1.368 40 0 biogenic,in-vitro IDABRO CC(C)OC[C@@H](O)C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000022466055 519772129 /nfs/dbraw/zinc/77/21/29/519772129.db2.gz URFGECLXXFTFAZ-IBGZPJMESA-N 1 0 425.529 1.839 40 0 IDABRO CCOC(=O)C1=C(O)NC(N2CCN(C(=O)c3ccco3)CC2)=[NH+][C@H]1c1ccc(C)cc1 ZINC000020674619 521093135 /nfs/dbraw/zinc/09/31/35/521093135.db2.gz VMVDVPLTEPOZJT-OALUTQOASA-N 1 0 438.484 1.752 40 0 IDABRO CCOC(=O)C1=C(O)NC(N2CCN(C(=O)OCC)CC2)=[NH+][C@@H]1c1ccc(OC)cc1 ZINC000020636933 521278371 /nfs/dbraw/zinc/27/83/71/521278371.db2.gz AHZGAOYLXUFXBJ-IAGOWNOFSA-N 1 0 432.477 1.176 40 0 IDABRO COC[C@H]1CCCN1C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H]([NH2+]Cc3ccc(OC)cc3)CN21 ZINC000020464542 522835774 /nfs/dbraw/zinc/83/57/74/522835774.db2.gz NVYOCVLTZMQKSD-HIUFNZKISA-N 1 0 444.576 1.144 40 0 biogenic,in-vitro IDABRO COc1cccc(NC(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2[N@H+](C)CCc2ccccc2)c1 ZINC000020465811 526191982 /nfs/dbraw/zinc/19/19/82/526191982.db2.gz LFVFFSBLTLMGLQ-CLAROIROSA-N 1 0 429.517 1.480 40 0 biogenic,in-vitro IDABRO OC[C@@H]1O[C@H](C[NH2+]Cc2ccc(F)cc2)[C@H](N2CCN(c3ccc(F)cc3)CC2)[C@@H]1O ZINC000020465411 527600659 /nfs/dbraw/zinc/60/06/59/527600659.db2.gz SNYPKWYYTPTELC-WZYRSQIMSA-N 1 0 433.499 1.366 40 0 biogenic,in-vitro IDABRO C[N@@H+]1[C@@H]2CCN(Cc3ccc(F)cc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1cccnc1 ZINC000022921049 556340623 /nfs/dbraw/zinc/34/06/23/556340623.db2.gz RKASRVSDWAKFRZ-XJUOHMSHSA-N 1 0 439.535 1.690 40 0 biogenic,in-vitro IDABRO C[NH+]1CCN(CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)CC1 ZINC000030756532 556504926 /nfs/dbraw/zinc/50/49/26/556504926.db2.gz OWIRZWGWAPZLDX-UHFFFAOYSA-N 1 0 440.585 1.121 40 0 IDABRO CCS(=O)(=O)N(CC(=O)NCCC[NH+]1CCC(C)CC1)c1ccc2c(c1)OCCO2 ZINC000013668993 556549520 /nfs/dbraw/zinc/54/95/20/556549520.db2.gz AXUZKGKTCKQMCP-UHFFFAOYSA-N 1 0 439.578 1.852 40 0 IDABRO COC(=O)c1cccc(C(=O)N2CC3(C2)C[N@H+](CCc2ccccc2)C[C@@H]2C[C@@H](O)CN23)c1 ZINC000514289253 556625501 /nfs/dbraw/zinc/62/55/01/556625501.db2.gz KIVJNPUTDGGUCK-XZOQPEGZSA-N 1 0 449.551 1.661 40 0 biogenic,in-vitro IDABRO COc1cccc(-c2c3c(ccn(CCCN4CC[NH+](C)CC4)c3=O)nc3ncnn32)c1 ZINC000040398275 556640125 /nfs/dbraw/zinc/64/01/25/556640125.db2.gz QOSCCKKASCACIN-UHFFFAOYSA-N 1 0 433.516 1.752 40 0 IDABRO CC[NH+]1CCN(CC(=O)N(C)[C@@H]2CC[C@@](CNC(C)=O)(c3ccccc3)CC[C@H]2O)CC1 ZINC000257205080 556701551 /nfs/dbraw/zinc/70/15/51/556701551.db2.gz AXODBUFSKOWCJW-VDKIKQQVSA-N 1 0 444.620 1.460 40 0 IDABRO O=C(COc1ccc(C[NH2+]C[C@@]2(O)CCN(c3ccccn3)C2)cc1)N1CCOCC1 ZINC000257290908 556716004 /nfs/dbraw/zinc/71/60/04/556716004.db2.gz QETZXEZOVWHAJD-QHCPKHFHSA-N 1 0 426.517 1.050 40 0 IDABRO O=C(C[N@@H+]1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000019292033 556731726 /nfs/dbraw/zinc/73/17/26/556731726.db2.gz BAFYVYMMJBKAMP-UXHICEINSA-N 1 0 443.592 1.082 40 0 IDABRO CC(C)OCCN1CCN(C(=O)C[N@@H+]2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 ZINC000019450442 556761457 /nfs/dbraw/zinc/76/14/57/556761457.db2.gz CVWXBUVXQBKIRJ-FQEVSTJZSA-N 1 0 445.608 1.328 40 0 IDABRO CCC[NH+]1CCN(C(=O)[C@H](C)N2CC[C@]3(CCC2=O)Nc2cc(C)ccc2C(=O)N3)CC1 ZINC000019503376 556774994 /nfs/dbraw/zinc/77/49/94/556774994.db2.gz RSBGXDFKNPTOBA-MHECFPHRSA-N 1 0 441.576 1.802 40 0 IDABRO CC[NH+](CC)CCN1c2ccccc2C(=O)N[C@@]2(C)CN(C(=O)[C@H]3C[C@@H]3C)C[C@H]2C1=O ZINC000019526387 556784448 /nfs/dbraw/zinc/78/44/48/556784448.db2.gz ZIWOYMXXILCMPL-SXTNBDNLSA-N 1 0 426.561 1.978 40 0 IDABRO CC[NH+](CC)CCN1c2ccccc2C(=O)N[C@@]2(C)CN(C(=O)[C@H]3C[C@H]3C)C[C@H]2C1=O ZINC000019526389 556784467 /nfs/dbraw/zinc/78/44/67/556784467.db2.gz ZIWOYMXXILCMPL-HCWCBTOOSA-N 1 0 426.561 1.978 40 0 IDABRO Cc1c(S(=O)(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)cnn1C ZINC000019553933 556797604 /nfs/dbraw/zinc/79/76/04/556797604.db2.gz YMEJVIXHIDRRHW-QGZVFWFLSA-N 1 0 434.566 1.907 40 0 IDABRO Cc1c(=O)nc2n(c1[C@@H]1CCCN(C(=O)[C@@H]3CC(=O)N(CCC[NH+](C)C)C3)C1)CCC2 ZINC000019554728 556797969 /nfs/dbraw/zinc/79/79/69/556797969.db2.gz ZXJLSXTVVZCPCA-QZTJIDSGSA-N 1 0 429.565 1.004 40 0 IDABRO CCC[NH+]1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)c3n[nH]c(CC)c3C)CC1)C2=O ZINC000019700693 556860153 /nfs/dbraw/zinc/86/01/53/556860153.db2.gz MEKUILGITXUFEG-UHFFFAOYSA-N 1 0 444.580 1.929 40 0 IDABRO CCC[NH+]1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)C[C@@H](C)n3cccn3)CC1)C2=O ZINC000019700691 556860168 /nfs/dbraw/zinc/86/01/68/556860168.db2.gz LHFBQAMTMQXKDQ-GOSISDBHSA-N 1 0 444.580 1.869 40 0 IDABRO CNc1nc(C2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)CC2)nc2c1CCN(C(C)=O)C2 ZINC000019710843 556874637 /nfs/dbraw/zinc/87/46/37/556874637.db2.gz RKWVDUCHWFNLHM-MRXNPFEDSA-N 1 0 444.580 1.097 40 0 IDABRO CNc1nc(C2CC[NH2+]CC2)nc2c1CN(S(=O)(=O)c1cc(F)ccc1OC)CC2 ZINC000019711392 556875738 /nfs/dbraw/zinc/87/57/38/556875738.db2.gz HJKPSPWEKAOIDF-UHFFFAOYSA-N 1 0 435.525 1.880 40 0 IDABRO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373092 556945362 /nfs/dbraw/zinc/94/53/62/556945362.db2.gz FJTKEDWHROHOEC-ZWKOTPCHSA-N 1 0 430.549 1.561 40 0 IDABRO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373093 556945424 /nfs/dbraw/zinc/94/54/24/556945424.db2.gz FJTKEDWHROHOEC-ROUUACIJSA-N 1 0 430.549 1.561 40 0 IDABRO Cc1nc(CCNC(=O)[C@H]2C[N@H+](Cc3cccc(OCCO)c3)CC23CCOCC3)no1 ZINC000585102023 557035673 /nfs/dbraw/zinc/03/56/73/557035673.db2.gz ZHIZAPQGIOMRGH-HXUWFJFHSA-N 1 0 444.532 1.337 40 0 IDABRO C[NH+]1CCN(CCCNC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1 ZINC000022934637 557052130 /nfs/dbraw/zinc/05/21/30/557052130.db2.gz PWUKGJDPVGWNRM-UHFFFAOYSA-N 1 0 430.574 1.882 40 0 IDABRO COc1ccc(S(=O)(=O)NCCN2CC[NH+](C)CC2)cc1C(=O)N1CCC(C)CC1 ZINC000022935240 557052530 /nfs/dbraw/zinc/05/25/30/557052530.db2.gz VDBWHGZFEACESH-UHFFFAOYSA-N 1 0 438.594 1.093 40 0 IDABRO COC(=O)C[C@]12C(=O)NCC[N@H+]1[C@H](c1ccc(C)cc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000102276551 557129306 /nfs/dbraw/zinc/12/93/06/557129306.db2.gz PQMKZDYILXCIJA-QDMVCWPOSA-N 1 0 447.491 1.589 40 0 IDABRO CNC(=O)CN1CC2(CC[NH+](Cc3ccccn3)CC2)COc2ccccc2S1(=O)=O ZINC000096145242 557174355 /nfs/dbraw/zinc/17/43/55/557174355.db2.gz WKZZEPCVABCPKY-UHFFFAOYSA-N 1 0 444.557 1.493 40 0 IDABRO CC(C)CN1Cc2c(C(=O)N3CC[C@H]([NH+](C)C)C3)ncn2-c2ccccc2S1(=O)=O ZINC000096147379 557176972 /nfs/dbraw/zinc/17/69/72/557176972.db2.gz ZFFFVRDBTFJBHE-INIZCTEOSA-N 1 0 431.562 1.809 40 0 IDABRO CC[NH+](CC)CCNC(=O)c1ccc2nnc([C@@H]3CN(c4ncccn4)CCN3C)n2c1 ZINC000096156698 557181756 /nfs/dbraw/zinc/18/17/56/557181756.db2.gz UIGCCBWAKWKBAJ-SFHVURJKSA-N 1 0 437.552 1.084 40 0 IDABRO CCOC(=O)N1CCC([N@@H+]2CCN(C(C)=O)C[C@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585282070 557221330 /nfs/dbraw/zinc/22/13/30/557221330.db2.gz GTMSTSMXRMMKRB-JOCHJYFZSA-N 1 0 437.512 1.721 40 0 IDABRO CCOC(=O)N1CCC([N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(F)c(F)c(F)c3)C2)CC1 ZINC000585282642 557222125 /nfs/dbraw/zinc/22/21/25/557222125.db2.gz MADNATNVFKQIGP-PXNSSMCTSA-N 1 0 432.439 1.901 40 0 IDABRO Cc1ccc2[nH]c(CCC[NH2+]C[C@]3(O)CN(S(=O)(=O)c4ccccc4)C[C@H]3O)nc2c1 ZINC000585291447 557229002 /nfs/dbraw/zinc/22/90/02/557229002.db2.gz PNSHTSFUKLPKPI-IRLDBZIGSA-N 1 0 444.557 1.190 40 0 IDABRO CC[C@@]12C=CC[N@@H+]3CC[C@@]4(c5ccc(OC)cc5N[C@@H]4[C@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000057517753 557253002 /nfs/dbraw/zinc/25/30/02/557253002.db2.gz DMQBJQRBCCUDSL-HKOQEMOESA-N 1 0 442.512 1.617 40 0 IDABRO O=S(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000057611379 557255028 /nfs/dbraw/zinc/25/50/28/557255028.db2.gz LODRYEJATFVXFB-QGZVFWFLSA-N 1 0 427.592 1.766 40 0 IDABRO COCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1C[NH+](C)C ZINC000057773620 557265466 /nfs/dbraw/zinc/26/54/66/557265466.db2.gz KMWATVARLMQEMD-RTWAWAEBSA-N 1 0 425.529 1.712 40 0 IDABRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000022829491 557271208 /nfs/dbraw/zinc/27/12/08/557271208.db2.gz IUHITEVAOGJDSD-UHFFFAOYSA-N 1 0 444.601 1.944 40 0 IDABRO COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCCN1CC[NH+](C)CC1)S(C)(=O)=O ZINC000022829841 557271237 /nfs/dbraw/zinc/27/12/37/557271237.db2.gz UGYZSAZMPRFHMC-HNNXBMFYSA-N 1 0 447.001 1.257 40 0 IDABRO CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)Oc2ccccc21 ZINC000113946539 557380796 /nfs/dbraw/zinc/38/07/96/557380796.db2.gz HOXZWXRNTZPYJQ-OAQYLSRUSA-N 1 0 444.557 1.994 40 0 IDABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ncccn3)CC2)=[NH+][C@H]1c1cccc(Cl)c1 ZINC000013640134 557385178 /nfs/dbraw/zinc/38/51/78/557385178.db2.gz UZFVUFJOAJVKQP-SJORKVTESA-N 1 0 442.907 1.658 40 0 IDABRO COc1ccccc1N(C[C@H](O)CN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000019361185 557499125 /nfs/dbraw/zinc/49/91/25/557499125.db2.gz ASQQCDWLPORCLY-LJQANCHMSA-N 1 0 433.574 1.807 40 0 IDABRO COCCn1nnnc1[C@@H](c1ccc(OC)cc1OC)N1CC[NH+](C2CCCC2)CC1 ZINC000019594001 557506266 /nfs/dbraw/zinc/50/62/66/557506266.db2.gz XEESOSPONBJQFR-OAQYLSRUSA-N 1 0 430.553 1.986 40 0 IDABRO COc1ccc(S(=O)(=O)N(C)CC(=O)NCCC[NH+]2CCCCCC2)cc1OC ZINC000223860292 557521906 /nfs/dbraw/zinc/52/19/06/557521906.db2.gz LFSFFNYTQSRDNM-UHFFFAOYSA-N 1 0 427.567 1.707 40 0 IDABRO C[NH+](C)CCOc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2ccc(F)cc2)cn1 ZINC000225923429 557793015 /nfs/dbraw/zinc/79/30/15/557793015.db2.gz LLECYKLHHPAWAM-UHFFFAOYSA-N 1 0 438.525 1.998 40 0 IDABRO COCCOCC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC000257219349 568674024 /nfs/dbraw/zinc/67/40/24/568674024.db2.gz DGMKFORJIYCWQN-FIXSFTCYSA-N 1 0 433.593 1.255 40 0 IDABRO COc1ccc(CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2c2ccc(CNC(=O)CO)cc2)cc1 ZINC000257221638 568675299 /nfs/dbraw/zinc/67/52/99/568675299.db2.gz DPYHHHVZZLXZEW-FGZHOGPDSA-N 1 0 425.529 1.308 40 0 IDABRO NC(=O)c1ccc(-c2ccc(C3CC[NH+](CC(=O)N4CCC(C(N)=O)CC4)CC3)nc2)cc1 ZINC000257244815 568686155 /nfs/dbraw/zinc/68/61/55/568686155.db2.gz IMXYCSWAEIGJEL-UHFFFAOYSA-N 1 0 449.555 1.751 40 0 IDABRO CNC(=O)c1sc2nccnc2c1C1CC[NH+](C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000257251882 568689684 /nfs/dbraw/zinc/68/96/84/568689684.db2.gz JSRIXKCIUDQOCA-UHFFFAOYSA-N 1 0 437.591 1.654 40 0 IDABRO C[NH+](C)CCOc1cccc(C(=O)N[C@H]2CCC[C@H](n3cnc4c3ncnc4N)[C@H]2O)c1 ZINC000257252875 568689963 /nfs/dbraw/zinc/68/99/63/568689963.db2.gz JWLVGKLVURCTAW-LNLFQRSKSA-N 1 0 439.520 1.233 40 0 IDABRO O=C(c1cccc(OCC[NH+]2CCCC2)c1)N1CC[C@H](O)[C@@H](n2ccc(=O)[nH]c2=O)CC1 ZINC000257258594 568692418 /nfs/dbraw/zinc/69/24/18/568692418.db2.gz KURZZXLTZSTCMW-PMACEKPBSA-N 1 0 442.516 1.262 40 0 IDABRO CCOc1cc(C[N@@H+]2CCC[C@]3(Cc4c([nH]c(=O)[nH]c4=O)O3)CC2)ccc1OCC(N)=O ZINC000257283172 568703713 /nfs/dbraw/zinc/70/37/13/568703713.db2.gz OXAOLSQCUVQEOD-JOCHJYFZSA-N 1 0 444.488 1.510 40 0 IDABRO CN1CCC[N@@H+]([C@H]2CCN(Cc3ccc(C(C)(C)C)cc3OCC(N)=O)CC[C@@H]2O)CC1 ZINC000257286177 568705079 /nfs/dbraw/zinc/70/50/79/568705079.db2.gz PKPCNSVGHBQDFG-VXKWHMMOSA-N 1 0 446.636 1.811 40 0 IDABRO O=C(NC[C@]1(O)CCCN(c2cnccn2)C1)c1cccc(OCC[NH+]2CCCC2)c1 ZINC000257289261 568706479 /nfs/dbraw/zinc/70/64/79/568706479.db2.gz PXVFAYNTEUQMCL-HSZRJFAPSA-N 1 0 425.533 1.713 40 0 IDABRO CNc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ccc(OCC[NH+](C)C)cc3)C2)ncn1 ZINC000257315024 568717776 /nfs/dbraw/zinc/71/77/76/568717776.db2.gz UZOVGXOESPNXDO-QHCPKHFHSA-N 1 0 442.564 1.562 40 0 IDABRO CC(=O)N1CCN([C@H]2CCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC[C@@H]2O)CC1 ZINC000257325064 568722254 /nfs/dbraw/zinc/72/22/54/568722254.db2.gz WRGRIARPZCFPJQ-SFTDATJTSA-N 1 0 429.496 1.345 40 0 IDABRO 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COCC[NH+]1CCC2(CC3(CCN(S(=O)(=O)c4ccccc4)CC3)N(C)C2=O)CC1 ZINC000096262349 557189915 /nfs/dbraw/zinc/18/99/15/557189915.db2.gz IUTLGIIUXGGAJH-UHFFFAOYSA-N 1 0 435.590 1.801 40 0 IDABRO COc1ccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)N2CCN(C)CC2)Cn2ccnc23)cc1 ZINC000096263267 557191101 /nfs/dbraw/zinc/19/11/01/557191101.db2.gz UBDJOCNECYRVGS-OAQYLSRUSA-N 1 0 439.560 1.556 40 0 IDABRO C[NH+](C)CCN1[C@H]2CCN(C(=O)c3cc[nH]n3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096263979 557191627 /nfs/dbraw/zinc/19/16/27/557191627.db2.gz HWYHRILUEZTLDQ-IRXDYDNUSA-N 1 0 433.534 1.028 40 0 IDABRO CC(=O)N1CCN(C[C@]2(O)CC[N@@H+](Cc3ccc(OCc4nccn4C)cc3)C2)CC1 ZINC000585269627 557212340 /nfs/dbraw/zinc/21/23/40/557212340.db2.gz DLFPETOTTPCLOA-HSZRJFAPSA-N 1 0 427.549 1.100 40 0 IDABRO COc1ccc(N(CC(=O)NCCC[NH+]2CCC(C)CC2)S(C)(=O)=O)cc1OC ZINC000010540559 557222183 /nfs/dbraw/zinc/22/21/83/557222183.db2.gz TVVBPWZZLUAHAL-UHFFFAOYSA-N 1 0 427.567 1.708 40 0 IDABRO O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH2+]CCc2ccc3c(c2)OCO3)C1 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CC[NH+](CC)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)cc1OC ZINC000575426428 568865513 /nfs/dbraw/zinc/86/55/13/568865513.db2.gz SVKWYALZQVDVTC-INIZCTEOSA-N 1 0 448.607 1.614 40 0 IDABRO O=S(=O)(c1ccc(F)cc1F)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000224326466 568918437 /nfs/dbraw/zinc/91/84/37/568918437.db2.gz KZLQIEGRLFTNRK-UHFFFAOYSA-N 1 0 425.461 1.102 40 0 IDABRO COc1ccc(/C=C/C(=O)N2CCN(c3cc(N4CCOCC4)cn[nH+]3)CC2)cc1OC ZINC000224320602 568918513 /nfs/dbraw/zinc/91/85/13/568918513.db2.gz DCVQRFXXSNPKEN-GQCTYLIASA-N 1 0 439.516 1.692 40 0 IDABRO CCOc1ccc(S(=O)(=O)N2CCN(c3cn[nH+]c(N4CCOCC4)c3)CC2)cc1 ZINC000224332689 568920984 /nfs/dbraw/zinc/92/09/84/568920984.db2.gz GQMCWHOLSMNONZ-UHFFFAOYSA-N 1 0 433.534 1.223 40 0 IDABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1cn(CC(=O)NC[C@H]2CCCO2)c2ccccc12 ZINC000249700069 569207773 /nfs/dbraw/zinc/20/77/73/569207773.db2.gz XFNASZKKNLWFAK-OYNPSCLESA-N 1 0 426.561 1.576 40 0 IDABRO 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CCC[NH+]1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)Cn3ccnc3CC)CC1)C2=O ZINC000019700695 569231263 /nfs/dbraw/zinc/23/12/63/569231263.db2.gz AXBJKIIMMSWJMN-UHFFFAOYSA-N 1 0 444.580 1.481 40 0 IDABRO C[NH2+]Cc1cc(N(C)C)nc([C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)n1 ZINC000019760891 569237745 /nfs/dbraw/zinc/23/77/45/569237745.db2.gz VOONSQJWURXJJS-MRXNPFEDSA-N 1 0 433.534 1.559 40 0 IDABRO C[NH2+]Cc1cc(N(C)C)nc([C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)n1 ZINC000019760899 569237773 /nfs/dbraw/zinc/23/77/73/569237773.db2.gz TUBSZBHNNHAWPH-GOSISDBHSA-N 1 0 444.561 1.307 40 0 IDABRO O=C1NC[C@@H]2C=CC[C@@H](CCOc3ccccc3C(=O)N3CC[N@H+](CC4CC4)C[C@@H]13)O2 ZINC000253399065 569264798 /nfs/dbraw/zinc/26/47/98/569264798.db2.gz IDTUVKSPCDODJL-ZJOUEHCJSA-N 1 0 425.529 1.835 40 0 IDABRO COCCNC(=O)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CN(C)Cc2ccccc2)nn1 ZINC000008297667 291323282 /nfs/dbraw/zinc/32/32/82/291323282.db2.gz LMEHBIVBZPVUFM-FCEUIQTBSA-N 1 0 426.565 1.383 40 0 biogenic,in-vitro IDABRO 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40 0 IDABRO O=C(NCCN1CCOCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000408592170 555953128 /nfs/dbraw/zinc/95/31/28/555953128.db2.gz KJNOUXPEEHNAFK-HXUWFJFHSA-N 1 0 431.558 1.689 40 0 IDABRO C[C@@H](C(=O)NCC[NH+]1CCCCCC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704881 556110863 /nfs/dbraw/zinc/11/08/63/556110863.db2.gz VBQYROPGFAYKBK-INIZCTEOSA-N 1 0 425.551 1.605 40 0 IDABRO C[N@@H+]1[C@@H]2CCN(Cc3ccc(O)cc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccco1 ZINC000022922578 556341443 /nfs/dbraw/zinc/34/14/43/556341443.db2.gz ZJIYVWWCZMLQJJ-WEYGHZABSA-N 1 0 426.517 1.455 40 0 biogenic,in-vitro IDABRO COC[C@H]1CCCN1C(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2ccc(O)cc2)[N@@H+]1C ZINC000022923605 556341927 /nfs/dbraw/zinc/34/19/27/556341927.db2.gz RDMOORNNVQKDOS-KPYOPSEVSA-N 1 0 444.576 1.183 40 0 biogenic,in-vitro IDABRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000030873094 556514108 /nfs/dbraw/zinc/51/41/08/556514108.db2.gz GKOOSNAZJHGQQZ-UHFFFAOYSA-N 1 0 432.384 1.669 40 0 IDABRO C[C@H](C(=O)NCCC[NH+]1CCCCCC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000013671801 556552317 /nfs/dbraw/zinc/55/23/17/556552317.db2.gz IQHFHSOBUZGQND-QGZVFWFLSA-N 1 0 439.578 1.995 40 0 IDABRO COC(=O)c1cccc(CN2C[C@@H]3C[C@@H](O)CN3C3(C[NH+](C4Cc5ccccc5C4)C3)C2)c1 ZINC000514289482 556623518 /nfs/dbraw/zinc/62/35/18/556623518.db2.gz MCNIPAARHMAPAD-LOSJGSFVSA-N 1 0 447.579 1.946 40 0 biogenic,in-vitro IDABRO COCCOc1cc(C[NH2+][C@@H]2C[C@@H](O)CN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1OC ZINC000257328588 556705498 /nfs/dbraw/zinc/70/54/98/556705498.db2.gz XGIFJCAJXVWKRI-KZNAEPCWSA-N 1 0 440.537 1.541 40 0 IDABRO Cn1ccnc1COc1ccc(C[NH2+][C@@H]2C[C@@H](O)CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1 ZINC000257331855 556705884 /nfs/dbraw/zinc/70/58/84/556705884.db2.gz XUOLMKFPACCSMM-MISYRCLQSA-N 1 0 446.548 1.820 40 0 IDABRO Cc1ccc(C2(C[NH+]3CCC(NC(=O)CN(C)[C@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 ZINC000019208365 556708149 /nfs/dbraw/zinc/70/81/49/556708149.db2.gz OCMPCEKGROOHFY-NRFANRHFSA-N 1 0 433.618 1.726 40 0 IDABRO 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Cc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NCCCN3CCOCC3)cc2c1 ZINC000006408147 556834530 /nfs/dbraw/zinc/83/45/30/556834530.db2.gz KPCTZBBQYNNDFV-UHFFFAOYSA-N 1 0 445.633 1.797 40 0 IDABRO CN(C)c1cc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)nc([C@H]2CCCC[NH2+]2)n1 ZINC000019709868 556871436 /nfs/dbraw/zinc/87/14/36/556871436.db2.gz QJBFYVFOLQQHIE-QGZVFWFLSA-N 1 0 447.561 1.949 40 0 IDABRO CNc1nc([C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)nc2c1CN(C(C)=O)CC2 ZINC000019710464 556873463 /nfs/dbraw/zinc/87/34/63/556873463.db2.gz OQZFKHTXDBNHBR-SFHVURJKSA-N 1 0 428.581 1.861 40 0 IDABRO CNc1nc(C2CC[NH+](C)CC2)nc2c1CN(C(=O)CCN1C(=O)CCCC1=O)CC2 ZINC000019711411 556876004 /nfs/dbraw/zinc/87/60/04/556876004.db2.gz JTOYZDGRXOWKJT-UHFFFAOYSA-N 1 0 428.537 1.141 40 0 IDABRO O=C(C[NH+]1CCCCCC1)N1CCO[C@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 ZINC000019759426 556903162 /nfs/dbraw/zinc/90/31/62/556903162.db2.gz UZIWGGCWBCZZGD-QFIPXVFZSA-N 1 0 440.544 1.733 40 0 IDABRO 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Cn1cnc2c1[C@H](C(=O)N1CCN(c3cc[nH+]cc3)CC1)N(C(=O)c1ccccc1)CC2 ZINC000096147202 557176993 /nfs/dbraw/zinc/17/69/93/557176993.db2.gz XVAVQCYVGGSEQN-JOCHJYFZSA-N 1 0 430.512 1.904 40 0 IDABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]CCSc3nnnn3C)o2)c1 ZINC000022108522 557177884 /nfs/dbraw/zinc/17/78/84/557177884.db2.gz XZFWLXHWUAKRIT-UHFFFAOYSA-N 1 0 431.474 1.925 40 0 IDABRO CC(C)NC(=O)N1CCN(c2ccc3ccc(C(=O)N4CCC[N@H+](C)CC4)cn32)CC1 ZINC000096156032 557180710 /nfs/dbraw/zinc/18/07/10/557180710.db2.gz AVQRUXCCEVAMSM-UHFFFAOYSA-N 1 0 426.565 1.957 40 0 IDABRO Cc1cccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)NC[C@H]2CCCO2)Cn2ccnc23)n1 ZINC000096243776 557187809 /nfs/dbraw/zinc/18/78/09/557187809.db2.gz CTOXFXLGOFBJQT-UXHICEINSA-N 1 0 425.533 1.772 40 0 IDABRO COc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+](C)C)c2ccccc2)cc1OC ZINC000010111427 557203982 /nfs/dbraw/zinc/20/39/82/557203982.db2.gz HCYWZADMLLJCGM-UHFFFAOYSA-N 1 0 435.546 1.967 40 0 IDABRO CC(=O)N[C@@H]1CO[C@@H]2CCC[N@H+](Cc3ccc(OCCOCCO)cc3)[C@@H]2C[C@@]1(C)O ZINC000585270425 557214290 /nfs/dbraw/zinc/21/42/90/557214290.db2.gz WEVNUEXFEKUAEZ-SSGKUCQKSA-N 1 0 436.549 1.083 40 0 IDABRO C[N@H+](Cc1ccc(OCCN2CCOCC2)cc1)C[C@]1(O)CCCN(c2cnccn2)C1 ZINC000585273005 557215446 /nfs/dbraw/zinc/21/54/46/557215446.db2.gz OIWLLQWVHPRUMR-XMMPIXPASA-N 1 0 441.576 1.651 40 0 IDABRO O[C@]1(C[NH2+]Cc2ccc(OCCN3CCOCC3)cc2)CCCN(c2cnccn2)C1 ZINC000585274267 557218429 /nfs/dbraw/zinc/21/84/29/557218429.db2.gz UUCHNKVOSYTTAO-QHCPKHFHSA-N 1 0 427.549 1.309 40 0 IDABRO CC1CC[NH+](CCCNC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)CC1 ZINC000010540877 557222190 /nfs/dbraw/zinc/22/21/90/557222190.db2.gz NRADPUJBMDVZTL-UHFFFAOYSA-N 1 0 425.551 1.462 40 0 IDABRO O=S(=O)(c1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC000585283060 557222437 /nfs/dbraw/zinc/22/24/37/557222437.db2.gz BGJRNYQIWPPBDL-RBUKOAKNSA-N 1 0 444.475 1.982 40 0 IDABRO CCOC(=O)N1CCC(O)(C[N@@H+]2CCOC[C@@](O)(COc3ccc(F)c(C)c3)C2)CC1 ZINC000585283503 557222768 /nfs/dbraw/zinc/22/27/68/557222768.db2.gz RCPJDHHXVDSLTD-JOCHJYFZSA-N 1 0 440.512 1.560 40 0 IDABRO COc1ccc(C[NH2+]C[C@@]2(O)CCN(C(=O)CCc3ccccc3)C[C@@H]2O)c(OC)c1 ZINC000585284473 557224266 /nfs/dbraw/zinc/22/42/66/557224266.db2.gz LGBWVLNZZFCJIC-UPVQGACJSA-N 1 0 428.529 1.751 40 0 IDABRO CCOC(=O)N1CCC(O)(C[N@@H+]2CCOC[C@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585286807 557225641 /nfs/dbraw/zinc/22/56/41/557225641.db2.gz IYPBWKDACXJCLQ-NRFANRHFSA-N 1 0 426.485 1.251 40 0 IDABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]CC2CCOCC2)[C@@H]1Cc1ccnc(COc2ccccc2)n1 ZINC000604382070 557236838 /nfs/dbraw/zinc/23/68/38/557236838.db2.gz CAKIDGVOKWZRLC-SSGKUCQKSA-N 1 0 427.545 1.972 40 0 biogenic,in-vitro IDABRO Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccc(N3CC[NH+](C)CC3)cc1)O2 ZINC000113952886 557381147 /nfs/dbraw/zinc/38/11/47/557381147.db2.gz VHKNZCIZCKFISI-NRFANRHFSA-N 1 0 444.557 1.913 40 0 IDABRO CCOC(=O)C1=C(O)NC(N2CCN(C(=O)OCC)CC2)=[NH+][C@@H]1c1cccc(Cl)c1 ZINC000013640113 557384902 /nfs/dbraw/zinc/38/49/02/557384902.db2.gz TWBGQHGVDRMKGX-JKSUJKDBSA-N 1 0 436.896 1.820 40 0 IDABRO COc1ccccc1N(C[C@@H](O)CN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000019362638 557499109 /nfs/dbraw/zinc/49/91/09/557499109.db2.gz ASQQCDWLPORCLY-IBGZPJMESA-N 1 0 433.574 1.807 40 0 IDABRO CC(C)NC(=O)[C@@H]1CN(C(=O)[C@H]([NH3+])Cc2ccccc2)C[C@@]12Cc1ccccc1C(=O)N2 ZINC000019449802 557499323 /nfs/dbraw/zinc/49/93/23/557499323.db2.gz CNHVRDWUQCTIEA-BKSPAHHJSA-N 1 0 434.540 1.264 40 0 IDABRO CCOC(=O)[C@@H]1C([O-])=NC(N2CC[NH+](CC)CC2)=[NH+][C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000019647356 557505408 /nfs/dbraw/zinc/50/54/08/557505408.db2.gz TZXOVXPHTKPZIC-ZWKOTPCHSA-N 1 0 448.520 1.056 40 0 IDABRO COc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(OCC(=O)N3CCOCC3)cc2)cc1 ZINC000585269982 568616792 /nfs/dbraw/zinc/61/67/92/568616792.db2.gz SHCPLMIBXINTHT-FQEVSTJZSA-N 1 0 444.528 1.805 40 0 IDABRO CC(=O)N1CCN(C[C@]2(O)CC[N@H+](Cc3ccc(OCCn4cccn4)cc3)C2)CC1 ZINC000585271307 568617907 /nfs/dbraw/zinc/61/79/07/568617907.db2.gz WAVKTEDGLGPJSH-HSZRJFAPSA-N 1 0 427.549 1.063 40 0 IDABRO C[NH+]1CCC(Cc2cccc(F)c2)(C(=O)NC[C@@]2(O)CCN(c3cnccn3)C2)CC1 ZINC000257220618 568674724 /nfs/dbraw/zinc/67/47/24/568674724.db2.gz DLMJTDXAQBWWMP-QHCPKHFHSA-N 1 0 427.524 1.628 40 0 IDABRO Cn1ccnc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC000257228685 568678362 /nfs/dbraw/zinc/67/83/62/568678362.db2.gz FUVRWMWFAONQJE-HFMPRLQTSA-N 1 0 425.577 1.639 40 0 IDABRO Cc1cc(N2CC[C@@](O)(CN(C)C(=O)COc3ccc(C[NH+]4CCCC4)cc3)C2)ncn1 ZINC000257232638 568680203 /nfs/dbraw/zinc/68/02/03/568680203.db2.gz GLUCRWCQIGSBIK-XMMPIXPASA-N 1 0 439.560 1.859 40 0 IDABRO C[NH+](C)CCOc1ccc(C(=O)N2CC[C@H](O)[C@@H](n3cnc4c3ncnc4N)CC2)cc1 ZINC000257243535 568685547 /nfs/dbraw/zinc/68/55/47/568685547.db2.gz IHKXWCZKKONZHW-ROUUACIJSA-N 1 0 439.520 1.187 40 0 IDABRO Nc1ncnc2c1ncn2[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC[C@@H]1O ZINC000257275671 568700403 /nfs/dbraw/zinc/70/04/03/568700403.db2.gz NQJWOPIEHOUKOY-OALUTQOASA-N 1 0 435.532 1.843 40 0 IDABRO COCC(=O)NCc1cccc([C@H]2C[N@H+](C)C[C@H]2C(=O)NCCc2ccc(OC)cc2)c1 ZINC000257308529 568714816 /nfs/dbraw/zinc/71/48/16/568714816.db2.gz TXCDYMWIRAAJEQ-DHIUTWEWSA-N 1 0 439.556 1.962 40 0 IDABRO COCC(=O)NCc1cccc([C@@H]2C[N@H+](C)C[C@H]2C(=O)NCCc2ccc(OC)cc2)c1 ZINC000257308532 568714935 /nfs/dbraw/zinc/71/49/35/568714935.db2.gz TXCDYMWIRAAJEQ-XZOQPEGZSA-N 1 0 439.556 1.962 40 0 IDABRO CCN(CC)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]([NH+]3CCN(C(C)=O)CC3)[C@@H]2O)c(O)c1 ZINC000257317237 568718854 /nfs/dbraw/zinc/71/88/54/568718854.db2.gz VIXNPCQJGCAZFG-MQSCRBSSSA-N 1 0 446.592 1.804 40 0 IDABRO Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3cccc(OCC[NH+]4CCCC4)c3)C2)ncn1 ZINC000257327221 568723075 /nfs/dbraw/zinc/72/30/75/568723075.db2.gz XANNAZRRSSBSNN-XMMPIXPASA-N 1 0 439.560 1.973 40 0 IDABRO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CC[N@H+](Cc3scnc3C)C2)cs1 ZINC000306124881 568763426 /nfs/dbraw/zinc/76/34/26/568763426.db2.gz CBGPOTYAAVWICK-LJQANCHMSA-N 1 0 430.559 1.531 40 0 IDABRO C[NH+]1CCN(CCCNC(=O)c2nc([C@@H]3CCCN3c3ncccn3)n3ccccc23)CC1 ZINC000306132355 568767219 /nfs/dbraw/zinc/76/72/19/568767219.db2.gz LGGPJGFULBFMJQ-FQEVSTJZSA-N 1 0 448.575 1.833 40 0 IDABRO COc1ncccc1C[N@@H+]1CC[C@]2(Cc3nn(Cc4ccc(F)cc4)c(=O)c(=O)n3C2)C1 ZINC000306133628 568767982 /nfs/dbraw/zinc/76/79/82/568767982.db2.gz MRSQCUPBLAWFST-QHCPKHFHSA-N 1 0 437.475 1.444 40 0 IDABRO COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@]2(CC[N@H+](Cc4cccnc4OC)C2)C3)cc1 ZINC000306134463 568768387 /nfs/dbraw/zinc/76/83/87/568768387.db2.gz NOKLQOXOYHBGGZ-XMMPIXPASA-N 1 0 449.511 1.314 40 0 IDABRO O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@@]1(CC[N@H+](Cc3ccc4c(c3)OCO4)C1)C2 ZINC000306134761 568768771 /nfs/dbraw/zinc/76/87/71/568768771.db2.gz NXMNXYRPECRVSB-DEOSSOPVSA-N 1 0 432.480 1.630 40 0 IDABRO O=c1c(=O)n(Cc2ccccc2)nc2n1C[C@]1(CC[N@H+](Cc3ccc4c(c3)OCO4)C1)C2 ZINC000306134762 568768793 /nfs/dbraw/zinc/76/87/93/568768793.db2.gz NXMNXYRPECRVSB-XMMPIXPASA-N 1 0 432.480 1.630 40 0 IDABRO COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CC[N@H+](Cc4cccc(C)n4)C2)C3)cc1 ZINC000306137376 568769975 /nfs/dbraw/zinc/76/99/75/568769975.db2.gz QURZZZHFIGVFFL-DEOSSOPVSA-N 1 0 433.512 1.614 40 0 IDABRO CS(=O)(=O)N[C@H]1CCN(C(=O)N2CCCC2)C[C@@]12CC[N@H+](Cc1cccs1)C2 ZINC000306142188 568772639 /nfs/dbraw/zinc/77/26/39/568772639.db2.gz WSFWVLNBOFPGAD-HKUYNNGSSA-N 1 0 426.608 1.780 40 0 IDABRO CC[NH+](CC)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1OC ZINC000575420621 568863482 /nfs/dbraw/zinc/86/34/82/568863482.db2.gz DLBAXATXFCPLJY-KRWDZBQOSA-N 1 0 432.608 1.913 40 0 IDABRO O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000224323680 568918459 /nfs/dbraw/zinc/91/84/59/568918459.db2.gz XZDXISXVJBWJNO-UHFFFAOYSA-N 1 0 426.477 1.439 40 0 IDABRO COc1cc(NC(=O)N2CCN(c3cc(N4CCOCC4)cn[nH+]3)CC2)cc(OC)c1 ZINC000224322210 568918472 /nfs/dbraw/zinc/91/84/72/568918472.db2.gz AGDPNMHCXYMYFS-UHFFFAOYSA-N 1 0 428.493 1.685 40 0 IDABRO COc1cc(NC(=O)N2CCN(c3cn[nH+]c(N4CCOCC4)c3)CC2)cc(OC)c1 ZINC000224331044 568920892 /nfs/dbraw/zinc/92/08/92/568920892.db2.gz ZAEVFWRJKDVCHA-UHFFFAOYSA-N 1 0 428.493 1.685 40 0 IDABRO CC(C)NC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2ccccc2)C[C@]12Cc1ccccc1C(=O)N2 ZINC000247968962 569206708 /nfs/dbraw/zinc/20/67/08/569206708.db2.gz CNHVRDWUQCTIEA-STWLZBDKSA-N 1 0 434.540 1.264 40 0 IDABRO CC(C)[NH+]1CCC2(CC1)NC(=O)N(C1CCN(S(=O)(=O)c3ccccc3)CC1)C2=O ZINC000019699525 569230608 /nfs/dbraw/zinc/23/06/08/569230608.db2.gz SQBUKTDBSHUBDX-UHFFFAOYSA-N 1 0 434.562 1.635 40 0 IDABRO CC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)c3ccc4c(c3)OCCO4)C1)C2=O ZINC000019699898 569230850 /nfs/dbraw/zinc/23/08/50/569230850.db2.gz WYWZXUOPENQTBY-QGZVFWFLSA-N 1 0 442.516 1.469 40 0 IDABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)COc3ccccc3)C1)C2=O ZINC000019699976 569231001 /nfs/dbraw/zinc/23/10/01/569231001.db2.gz OFIBPAOPCVBLNR-GOSISDBHSA-N 1 0 428.533 1.853 40 0 IDABRO O=C(C[NH+]1CCCCCC1)N1CCO[C@H](c2c3cccnc3sc2C(=O)NCCO)C1 ZINC000019702957 569232465 /nfs/dbraw/zinc/23/24/65/569232465.db2.gz ZZFCLPCMMDOOBI-KRWDZBQOSA-N 1 0 446.573 1.794 40 0 IDABRO COCCNC(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC000019702952 569232496 /nfs/dbraw/zinc/23/24/96/569232496.db2.gz PZSBVLPIUJBFJZ-INIZCTEOSA-N 1 0 432.546 1.668 40 0 IDABRO CC(=O)N1CCC(C(=O)N2CCC(Cc3c(C[NH+](C)C)cnc4ccnn43)CC2)CC1 ZINC000019704753 569233706 /nfs/dbraw/zinc/23/37/06/569233706.db2.gz LQHHCGDBBZSICA-UHFFFAOYSA-N 1 0 426.565 1.831 40 0 IDABRO CN(C)c1cc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)nc([C@H]2CCC[NH2+]C2)n1 ZINC000019709734 569234745 /nfs/dbraw/zinc/23/47/45/569234745.db2.gz VSWPEYOGBNWTLQ-HNNXBMFYSA-N 1 0 447.561 1.602 40 0 IDABRO O=C1NC[C@H]2O[C@@H](CC[C@@H]2O)CCOc2ccccc2C(=O)N2CC[N@H+](CC3CC3)C[C@@H]12 ZINC000253405631 569265257 /nfs/dbraw/zinc/26/52/57/569265257.db2.gz SUAWASGVWFRIAA-WCCBULMPSA-N 1 0 443.544 1.030 40 0 IDABRO COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]Cc3ccccc3C(F)(F)F)[C@@H](O)[C@H]2O1 ZINC000225515189 291323293 /nfs/dbraw/zinc/32/32/93/291323293.db2.gz ILPWROZSELRZSX-ZLJHSHKTSA-N 1 0 432.439 1.234 40 0 biogenic,in-vitro IDABRO O=C([C@H]1O[C@H](CC[NH+]2CCC(CO)CC2)CC[C@@H]1O)N1CCN(c2ccccc2)CC1 ZINC000067870589 291328158 /nfs/dbraw/zinc/32/81/58/291328158.db2.gz COCVMASYTQKXMC-VABKMULXSA-N 1 0 431.577 1.338 40 0 biogenic,in-vitro IDABRO C[N@H+](CCc1ccccc1)[C@H]1[C@@H](CNC(=O)Nc2ccc(F)cc2F)O[C@@H](CO)[C@H]1O ZINC000020465802 522955733 /nfs/dbraw/zinc/95/57/33/522955733.db2.gz RGZJNPIOFRTFQS-IVAOSVALSA-N 1 0 435.471 1.750 40 0 biogenic,in-vitro IDABRO COCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1([NH2+][C@H]2Cc2c[nH]c3ccccc23)C(=O)Nc2ccccc21 ZINC000020757631 523805192 /nfs/dbraw/zinc/80/51/92/523805192.db2.gz WDTCIIAPTUSGIT-AIFLQVKLSA-N 1 0 444.491 1.777 40 0 IDABRO Cc1ccc(Cl)cc1N(CCCC(=O)NCCCN1CC[NH+](C)CC1)S(C)(=O)=O ZINC000022829899 524728800 /nfs/dbraw/zinc/72/88/00/524728800.db2.gz BBBNTBWVXZRRSK-UHFFFAOYSA-N 1 0 445.029 1.948 40 0 IDABRO C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc[n+](Cc2ccccc2)c1)C(N)=O ZINC000001611503 555705647 /nfs/dbraw/zinc/70/56/47/555705647.db2.gz KQTNXKRURVWGGU-XMSQKQJNSA-O 1 0 431.516 1.354 40 0 IDABRO C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc[n+](Cc2ccccc2)c1)C(N)=O ZINC000001611505 555705679 /nfs/dbraw/zinc/70/56/79/555705679.db2.gz KQTNXKRURVWGGU-GCJKJVERSA-O 1 0 431.516 1.354 40 0 IDABRO CCCCOCCOCCOCC[NH+](CCO)CCOCCOCCOCCCC ZINC000005420245 556052325 /nfs/dbraw/zinc/05/23/25/556052325.db2.gz GGCYMASZAGGKBY-UHFFFAOYSA-N 1 0 437.618 1.981 40 0 IDABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccn3)CC2)=[NH+][C@H]1c1ccc(OC)cc1 ZINC000010385675 556333925 /nfs/dbraw/zinc/33/39/25/556333925.db2.gz RHYJTRBEXXBVFB-PMACEKPBSA-N 1 0 437.500 1.619 40 0 IDABRO COc1ccc(C[NH2+][C@H]2C[C@H]3C(=O)NC[C@@H](CCC(=O)NCc4ccccc4)N3C2)cc1 ZINC000022936803 556450194 /nfs/dbraw/zinc/45/01/94/556450194.db2.gz DEFWQFKEHNVWQS-XJUOHMSHSA-N 1 0 436.556 1.823 40 0 biogenic,in-vitro IDABRO C[NH+](C)CCNC(=O)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000013674180 556553664 /nfs/dbraw/zinc/55/36/64/556553664.db2.gz YIMCAIYBJGXCOU-UHFFFAOYSA-N 1 0 430.574 1.485 40 0 IDABRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000044842627 556668641 /nfs/dbraw/zinc/66/86/41/556668641.db2.gz HRPAVPNXBHIZCG-UHFFFAOYSA-N 1 0 432.384 1.669 40 0 IDABRO C[N@H+](Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@]1(O)CCN(c2ncccn2)C1 ZINC000257324127 556704869 /nfs/dbraw/zinc/70/48/69/556704869.db2.gz WNHBNSRHCOIDGW-XMMPIXPASA-N 1 0 439.560 1.941 40 0 IDABRO Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)c(N2CCN(C(=O)c3ccco3)CC2)n1 ZINC000019134513 556705380 /nfs/dbraw/zinc/70/53/80/556705380.db2.gz VXBUDYGYUHYHQX-GOSISDBHSA-N 1 0 425.533 1.969 40 0 IDABRO Cc1ccc2c(c1)N[C@]1(CCC(=O)N([C@H](C)C(=O)NCC[NH+]3CCCC3)CC1)NC2=O ZINC000019219582 556714108 /nfs/dbraw/zinc/71/41/08/556714108.db2.gz AIUODJDXHFRTNV-UZUQRXQVSA-N 1 0 427.549 1.460 40 0 IDABRO CNc1cc(N2CCC[C@](O)(C[NH2+]Cc3ccc(OCCOCCO)cc3)C2)ncn1 ZINC000257274640 556714193 /nfs/dbraw/zinc/71/41/93/556714193.db2.gz NLYJSXFVRLVTFZ-QFIPXVFZSA-N 1 0 431.537 1.027 40 0 IDABRO COCCOCC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCC(O)CC2)CC1 ZINC000257302144 556717389 /nfs/dbraw/zinc/71/73/89/556717389.db2.gz SBRWHCZLUVVSMK-FIXSFTCYSA-N 1 0 434.577 1.464 40 0 IDABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCN(Cc3ccc(OCc4nccn4C)cc3)C2)CC1 ZINC000257307919 556718116 /nfs/dbraw/zinc/71/81/16/556718116.db2.gz TUSQTYZGLAWCAY-DEOSSOPVSA-N 1 0 441.576 1.536 40 0 IDABRO COc1ccc(C[N@@H+]2CCC[C@H](c3nc4c(c(=O)[nH]3)CN(S(C)(=O)=O)CC4)C2)cc1 ZINC000019555216 556798322 /nfs/dbraw/zinc/79/83/22/556798322.db2.gz ROFOTPLDXVRYBM-INIZCTEOSA-N 1 0 432.546 1.476 40 0 IDABRO COc1ccc(C[N@@H+]2CCc3nc([C@H]4CCCN4S(=O)(=O)N(C)C)[nH]c(=O)c3C2)cc1 ZINC000019583692 556820921 /nfs/dbraw/zinc/82/09/21/556820921.db2.gz JUNCIMXXSAZTPB-LJQANCHMSA-N 1 0 447.561 1.692 40 0 IDABRO CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)[C@H](C)[NH+]3CCCC3)CC1)C2=O ZINC000019699379 556858467 /nfs/dbraw/zinc/85/84/67/556858467.db2.gz GCQMXYNIMBGZJO-KRWDZBQOSA-N 1 0 447.580 1.031 40 0 IDABRO CC(C)[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)c3cc(C4CC4)on3)C1)C2=O ZINC000019699978 556859603 /nfs/dbraw/zinc/85/96/03/556859603.db2.gz UAJWAQTXBKYUQY-MRXNPFEDSA-N 1 0 429.521 1.951 40 0 IDABRO CCC[NH+]1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)[C@H](C)Cn3cccn3)CC1)C2=O ZINC000019700668 556860117 /nfs/dbraw/zinc/86/01/17/556860117.db2.gz OHXSMKVAOBXNRH-GOSISDBHSA-N 1 0 444.580 1.554 40 0 IDABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCN(C(=O)Cc3ccc(OC)cc3)C1)C2=O ZINC000019700810 556860347 /nfs/dbraw/zinc/86/03/47/556860347.db2.gz JRPMJHQDJQVMRC-GOSISDBHSA-N 1 0 428.533 1.635 40 0 IDABRO C[NH+](C)C[C@H]1CCCN(C(=O)Cn2cc(C(=O)NCc3ccc(F)cc3)ccc2=O)C1 ZINC000019751328 556895174 /nfs/dbraw/zinc/89/51/74/556895174.db2.gz FTRMIGLAADUZPW-GOSISDBHSA-N 1 0 428.508 1.718 40 0 IDABRO O=C(Cn1cc(C(=O)NCc2ccc(F)cc2)ccc1=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000019751574 556895482 /nfs/dbraw/zinc/89/54/82/556895482.db2.gz ITKIJMHOXMGURB-HXUWFJFHSA-N 1 0 426.492 1.614 40 0 IDABRO CN(C)S(=O)(=O)N1CCc2nc(C3CC[NH+](Cc4cccs4)CC3)[nH]c(=O)c2C1 ZINC000072399036 556971286 /nfs/dbraw/zinc/97/12/86/556971286.db2.gz KMFQDLLAGLQNHL-UHFFFAOYSA-N 1 0 437.591 1.376 40 0 IDABRO O=C(NCC(F)(F)F)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccnc(N3CCOCC3)c2)C1 ZINC000585108693 557043864 /nfs/dbraw/zinc/04/38/64/557043864.db2.gz APVZHGJJZWXDEU-GVDBMIGSSA-N 1 0 428.455 1.576 40 0 IDABRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)CC1 ZINC000023134323 557067102 /nfs/dbraw/zinc/06/71/02/557067102.db2.gz ZVTNNBXHNYWKMN-UHFFFAOYSA-N 1 0 444.557 1.712 40 0 IDABRO Cc1ccc(C[N@@H+]2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)o1 ZINC000096056167 557167504 /nfs/dbraw/zinc/16/75/04/557167504.db2.gz YLHKRVZGHATVEE-CVDCTZTESA-N 1 0 425.533 1.955 40 0 IDABRO COCC[N@@H+]1CC2(CCN(S(=O)(=O)c3cccc(C)c3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000096144271 557171674 /nfs/dbraw/zinc/17/16/74/557171674.db2.gz KWLFSROAYQHECO-JOCHJYFZSA-N 1 0 435.590 1.576 40 0 IDABRO COc1cc(C[NH2+]CCN2CCOCC2)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000022108270 557177447 /nfs/dbraw/zinc/17/74/47/557177447.db2.gz MZKSJGIAWYESRG-UHFFFAOYSA-N 1 0 438.532 1.980 40 0 IDABRO CCN1CC[C@]2(C[N@H+](CCOC)CC23CCN(S(=O)(=O)c2cccnc2)CC3)C1=O ZINC000096262658 557190023 /nfs/dbraw/zinc/19/00/23/557190023.db2.gz XNNNUHGCFIFDRD-NRFANRHFSA-N 1 0 436.578 1.053 40 0 IDABRO COc1ccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)N2CCN(C)CC2)Cn2ccnc23)cc1 ZINC000096263266 557191086 /nfs/dbraw/zinc/19/10/86/557191086.db2.gz UBDJOCNECYRVGS-NRFANRHFSA-N 1 0 439.560 1.556 40 0 IDABRO O[C@H]1C[N@H+](Cc2ccc(OCCN3CCOCC3)cc2)C[C@@H]1N1CCC(F)(F)CC1 ZINC000585273152 557215525 /nfs/dbraw/zinc/21/55/25/557215525.db2.gz PNRYJLLKEGVYHG-SFTDATJTSA-N 1 0 425.520 1.674 40 0 IDABRO O[C@H]1CC[N@H+](Cc2cccc(OCCn3cncn3)c2)C[C@]1(O)COc1ccc(F)cc1 ZINC000585282027 557221318 /nfs/dbraw/zinc/22/13/18/557221318.db2.gz GAGMAOFXKBQPIR-GOTSBHOMSA-N 1 0 442.491 1.873 40 0 IDABRO O=C1CO[C@H]2C[N@@H+](CC3(O)CCN(c4ccc(F)cc4)CC3)C[C@@H]2N1C1CCOCC1 ZINC000585282961 557222065 /nfs/dbraw/zinc/22/20/65/557222065.db2.gz KNXNYMUKOAYIIA-SFTDATJTSA-N 1 0 433.524 1.248 40 0 IDABRO O=C(c1ccc(Cl)cc1)N1CC[C@](O)(C[NH+]2CCN(c3ccccn3)CC2)[C@@H](O)C1 ZINC000585283053 557222478 /nfs/dbraw/zinc/22/24/78/557222478.db2.gz BAAYHBSTRQLTFF-UGKGYDQZSA-N 1 0 430.936 1.495 40 0 IDABRO COCC(=O)N1CC[N@H+](CC2(O)CCCCC2)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585285011 557224427 /nfs/dbraw/zinc/22/44/27/557224427.db2.gz BKUAYCSGVFLLOG-JOCHJYFZSA-N 1 0 442.503 1.561 40 0 IDABRO COc1ccc(CC[NH2+]C[C@]2(O)CN(C(=O)CCc3ccccc3)CC[C@H]2O)cc1OC ZINC000585286229 557225288 /nfs/dbraw/zinc/22/52/88/557225288.db2.gz PENSEULLGCXMGR-NOZRDPDXSA-N 1 0 442.556 1.793 40 0 IDABRO CCOC(=O)N1CCC(O)(C[N@@H+]2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585286812 557225548 /nfs/dbraw/zinc/22/55/48/557225548.db2.gz IYPBWKDACXJCLQ-OAQYLSRUSA-N 1 0 426.485 1.251 40 0 IDABRO COc1cc(C[NH2+]C[C@]2(O)CN(C(=O)c3ccccc3)CC[C@H]2O)cc(OC)c1OC ZINC000585288964 557226256 /nfs/dbraw/zinc/22/62/56/557226256.db2.gz BNPYIGPGNNCFTB-OFNKIYASSA-N 1 0 430.501 1.440 40 0 IDABRO O=C(Cc1ccccc1)N1CC[C@](O)(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)[C@@H](O)C1 ZINC000585289496 557226682 /nfs/dbraw/zinc/22/66/82/557226682.db2.gz ISXPFIBCCKZSHO-ZCYQVOJMSA-N 1 0 441.547 1.510 40 0 IDABRO COc1ccc(CC[NH2+]C[C@]2(O)CN(C(=O)Cc3ccc(Cl)cc3)C[C@H]2O)cc1OC ZINC000585290734 557227917 /nfs/dbraw/zinc/22/79/17/557227917.db2.gz WBLGBWARAKNGAJ-GGAORHGYSA-N 1 0 448.947 1.666 40 0 IDABRO O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]C2(c3ccccc3)CCOCC2)C1 ZINC000585291187 557228747 /nfs/dbraw/zinc/22/87/47/557228747.db2.gz LJVDFPCBFCAPHM-IRLDBZIGSA-N 1 0 432.542 1.078 40 0 IDABRO CN(C)CC(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1C[NH+](C)C ZINC000057773628 557265436 /nfs/dbraw/zinc/26/54/36/557265436.db2.gz ACRIGBFMNDEZDD-FCHUYYIVSA-N 1 0 438.572 1.627 40 0 IDABRO Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCCN1CC[NH+](C)CC1)S(C)(=O)=O ZINC000022829889 557271076 /nfs/dbraw/zinc/27/10/76/557271076.db2.gz LUHFSLGBDLVPPT-INIZCTEOSA-N 1 0 431.002 1.557 40 0 IDABRO CS(=O)(=O)N1CCC(C2CCN([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)CC1 ZINC000102405590 557301518 /nfs/dbraw/zinc/30/15/18/557301518.db2.gz ZXKZAOOQRNDVJU-LJQANCHMSA-N 1 0 437.537 1.841 40 0 IDABRO CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(F)cc1 ZINC000113946765 557380778 /nfs/dbraw/zinc/38/07/78/557380778.db2.gz JUOMLNCRBMNVRH-UHFFFAOYSA-N 1 0 449.552 1.829 40 0 IDABRO Cc1cc(C)n(CCOc2ccc(C[N@H+]3CC[C@@](O)(CN4CCN(C)CC4)C3)cc2)n1 ZINC000585271353 568618104 /nfs/dbraw/zinc/61/81/04/568618104.db2.gz WVPMLTWIHMUXQR-XMMPIXPASA-N 1 0 427.593 1.763 40 0 IDABRO CC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@H](O)[C@@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC000257201691 568665708 /nfs/dbraw/zinc/66/57/08/568665708.db2.gz AIOZKOCFNJWFML-ZCAIMPEWSA-N 1 0 445.604 1.669 40 0 IDABRO Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CN1CC[C@](O)(C[NH+]2CCN(C)CC2)C1 ZINC000257204118 568667036 /nfs/dbraw/zinc/66/70/36/568667036.db2.gz ATCTXEOXVKGTIP-DEOSSOPVSA-N 1 0 440.592 1.171 40 0 IDABRO C[NH+](C)[C@@H]1CC[C@@]2([C@@H](O)CNS(C)(=O)=O)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O ZINC000257213297 568671255 /nfs/dbraw/zinc/67/12/55/568671255.db2.gz CGYLJHFOWMPERP-OFELHODLSA-N 1 0 426.579 1.073 40 0 IDABRO CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCN1C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000257218464 568673347 /nfs/dbraw/zinc/67/33/47/568673347.db2.gz DDGCVEOALQOQMT-KRWDZBQOSA-N 1 0 441.498 1.984 40 0 IDABRO O=C(CN1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1)Nc1ccccc1N1CCOCC1 ZINC000257220524 568674688 /nfs/dbraw/zinc/67/46/88/568674688.db2.gz DLCUXXYOXRFXOW-NRFANRHFSA-N 1 0 438.519 1.630 40 0 IDABRO COc1ccc(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccc(CNC(=O)CO)cc2)cc1 ZINC000257221640 568675235 /nfs/dbraw/zinc/67/52/35/568675235.db2.gz DPYHHHVZZLXZEW-YADHBBJMSA-N 1 0 425.529 1.308 40 0 IDABRO C[NH+](C)CCOc1cccc(C(=O)N2CC[C@@](C)(O)[C@H](n3cnc4c3ncnc4N)C2)c1 ZINC000257222771 568675393 /nfs/dbraw/zinc/67/53/93/568675393.db2.gz DUQMUPRPPCHUAM-VGOFRKELSA-N 1 0 439.520 1.187 40 0 IDABRO O=C(c1ccc(OCC[NH+]2CCCC2)cc1)N1CC[C@H](O)[C@@H](n2ccc(=O)[nH]c2=O)CC1 ZINC000257233720 568681140 /nfs/dbraw/zinc/68/11/40/568681140.db2.gz GQKYVTMFDPHDSA-PMACEKPBSA-N 1 0 442.516 1.262 40 0 IDABRO C[N@H+](Cc1ccc(C(C)(C)C)cc1OCC(N)=O)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O ZINC000257258610 568692371 /nfs/dbraw/zinc/69/23/71/568692371.db2.gz KUTDOXOXQTWZOV-TXTKFYIRSA-N 1 0 433.593 1.894 40 0 IDABRO COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3cccc(OC)c3)[C@H]([N@H+](C)CCO)[C@H]2O)c1 ZINC000257277610 568701044 /nfs/dbraw/zinc/70/10/44/568701044.db2.gz NYSNXYKVELLFOV-CZYKHXBRSA-N 1 0 430.501 1.307 40 0 IDABRO Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ccc(OCC[NH+](C)C)cc3)C2)ncn1 ZINC000257288217 568705960 /nfs/dbraw/zinc/70/59/60/568705960.db2.gz PTJQUJJDYMQVLY-QHCPKHFHSA-N 1 0 427.549 1.829 40 0 IDABRO Cn1ccc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H]([NH+]3CCC(O)CC3)CC2)n1 ZINC000257297141 568710058 /nfs/dbraw/zinc/71/00/58/568710058.db2.gz RGBWHHZYWYQSID-FIXSFTCYSA-N 1 0 426.561 1.848 40 0 IDABRO NC(=O)CCC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1 ZINC000257323173 568721466 /nfs/dbraw/zinc/72/14/66/568721466.db2.gz WJAGUDCZEYKAPT-CHOVIJNXSA-N 1 0 441.503 1.515 40 0 IDABRO CC(C)Cc1nc2ccccc2n1CC(=O)N1CC[C@H](O)[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC000257333313 568725802 /nfs/dbraw/zinc/72/58/02/568725802.db2.gz YBAYKDASGRAXFU-VXKWHMMOSA-N 1 0 427.593 1.834 40 0 IDABRO Cc1cc(N2CC[C@@](O)(CNC(=O)C3(Cc4ccccc4F)CC[NH+](C)CC3)C2)ncn1 ZINC000257336198 568726820 /nfs/dbraw/zinc/72/68/20/568726820.db2.gz YNMXJXQZNXBBOF-XMMPIXPASA-N 1 0 441.551 1.936 40 0 IDABRO CN(Cc1ccccn1)C(=O)[C@@H]1C[N@H+](CC2CC2)C[C@@]2(CCN(C(=O)[C@H]3CCCO3)C2)O1 ZINC000306125546 568763998 /nfs/dbraw/zinc/76/39/98/568763998.db2.gz CTSJCSGIHQYAFO-ZFGGDYGUSA-N 1 0 442.560 1.301 40 0 IDABRO Cn1cc(C[NH+]2CCC3(Cc4nc5c(c(=O)n4C3)CN(c3ncccn3)CC5)CC2)cn1 ZINC000306129913 568765962 /nfs/dbraw/zinc/76/59/62/568765962.db2.gz IQLULACBMYRELO-UHFFFAOYSA-N 1 0 432.532 1.168 40 0 IDABRO CCCNC(=O)c1nnc2n1CC1(CC[NH+](Cc3ccc4c(c3)OCO4)CC1)COC2 ZINC000306139555 568771229 /nfs/dbraw/zinc/77/12/29/568771229.db2.gz TTYUSQQKHVVEMI-UHFFFAOYSA-N 1 0 427.505 1.959 40 0 IDABRO COc1ncccc1C[N@@H+]1CC[C@@]2(CCn3c2nn(Cc2csc(C)n2)c(=O)c3=O)C1 ZINC000306139519 568771279 /nfs/dbraw/zinc/77/12/79/568771279.db2.gz SZFYWAMTTXMANU-OAQYLSRUSA-N 1 0 440.529 1.169 40 0 IDABRO COc1ncccc1C[N@@H+]1CC[C@]2(CCn3c2nn(Cc2csc(C)n2)c(=O)c3=O)C1 ZINC000306139518 568771301 /nfs/dbraw/zinc/77/13/01/568771301.db2.gz SZFYWAMTTXMANU-NRFANRHFSA-N 1 0 440.529 1.169 40 0 IDABRO COc1cccc(C[N@@H+]2CC[C@@]3(CCn4c3nn(Cc3csc(C)n3)c(=O)c4=O)C2)c1 ZINC000306139969 568771534 /nfs/dbraw/zinc/77/15/34/568771534.db2.gz UFOJKALTRPKMQF-JOCHJYFZSA-N 1 0 439.541 1.774 40 0 IDABRO CCOC(=O)CN1c2ccccc2[C@@]2([NH2+][C@@H](C)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)C1=O ZINC000100158850 568841983 /nfs/dbraw/zinc/84/19/83/568841983.db2.gz KSXPGDMDBZILQH-XBZSQVPCSA-N 1 0 433.464 1.589 40 0 IDABRO CCOC(=O)CN1c2ccccc2[C@]2([NH2+][C@@H](C)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)C1=O ZINC000100158853 568842060 /nfs/dbraw/zinc/84/20/60/568842060.db2.gz KSXPGDMDBZILQH-ADPCTKTASA-N 1 0 433.464 1.589 40 0 IDABRO O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000224325172 568918477 /nfs/dbraw/zinc/91/84/77/568918477.db2.gz FERHDPJBBVSVKG-UHFFFAOYSA-N 1 0 439.541 1.977 40 0 IDABRO Cc1cc(C)c(S(=O)(=O)N2CCN(c3cn[nH+]c(N4CCOCC4)c3)CC2)c(C)c1 ZINC000224333232 568921007 /nfs/dbraw/zinc/92/10/07/568921007.db2.gz CAHMIDCPFPTWRU-UHFFFAOYSA-N 1 0 431.562 1.749 40 0 IDABRO O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000224333178 568921093 /nfs/dbraw/zinc/92/10/93/568921093.db2.gz INRWKTPMTZNSBN-UHFFFAOYSA-N 1 0 439.541 1.977 40 0 IDABRO 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40 0 in-man IDABRO COc1c2c(cc3c1C=[N+](N1CCc4cc5c(c(OC)c4[C@@H]1O)OCO5)CC3)OCO2 ZINC000002037187 555728306 /nfs/dbraw/zinc/72/83/06/555728306.db2.gz UOMFYMHHTALLMB-QFIPXVFZSA-N 1 0 427.433 1.613 40 0 IDABRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC[NH+]1CCCCCC1 ZINC000408703222 556107955 /nfs/dbraw/zinc/10/79/55/556107955.db2.gz PWSSIWZFLXAMNQ-UHFFFAOYSA-N 1 0 425.551 1.322 40 0 IDABRO CS(=O)(=O)N(CCCC(=O)NCC[NH+]1CCCCCC1)c1ccc2c(c1)OCO2 ZINC000408704317 556109558 /nfs/dbraw/zinc/10/95/58/556109558.db2.gz LUILBSPPSMQSPH-UHFFFAOYSA-N 1 0 425.551 1.954 40 0 IDABRO COc1ccc(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)cc1C(=O)N1CCOCC1 ZINC000013668294 556548995 /nfs/dbraw/zinc/54/89/95/556548995.db2.gz YZBJPMOUSMNVGK-UHFFFAOYSA-N 1 0 439.578 1.568 40 0 IDABRO Cc1cnn(CC(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H]([NH+]3CCN(C)CC3)CC2)c1 ZINC000257203485 556701376 /nfs/dbraw/zinc/70/13/76/556701376.db2.gz AQHCXQVLIOOUQK-LSQMVHIFSA-N 1 0 439.604 1.797 40 0 IDABRO CN1C[C@H](C(=O)NC[C@]2(c3ccccc3)CC[C@@H](O)[C@H]([NH+]3CCOCC3)CC2)CC1=O ZINC000257321990 556704230 /nfs/dbraw/zinc/70/42/30/556704230.db2.gz WEFDDFCTWURGEN-UMCMBGNQSA-N 1 0 429.561 1.155 40 0 IDABRO O=C(CCCn1cncn1)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1 ZINC000257324172 556704809 /nfs/dbraw/zinc/70/48/09/556704809.db2.gz WNMYKVKTHNEOME-CQOQZXRMSA-N 1 0 441.576 1.748 40 0 IDABRO COCCN1CCN(C(=O)C[N@H+]2C[C@@H](c3ccc(C)cc3)[C@H](c3csnn3)C2)CC1 ZINC000019211997 556709738 /nfs/dbraw/zinc/70/97/38/556709738.db2.gz DLJGOFRVEKVNHO-VQTJNVASSA-N 1 0 429.590 1.820 40 0 IDABRO Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@@H](C)C(=O)NCC[NH+]3CCCC3)CC1)NC2=O ZINC000019219589 556714121 /nfs/dbraw/zinc/71/41/21/556714121.db2.gz AIUODJDXHFRTNV-SBUREZEXSA-N 1 0 427.549 1.460 40 0 IDABRO O=C(COc1ccc(C[NH2+]C[C@]2(O)CCN(c3ccccn3)C2)cc1)N1CCOCC1 ZINC000257290907 556716020 /nfs/dbraw/zinc/71/60/20/556716020.db2.gz QETZXEZOVWHAJD-HSZRJFAPSA-N 1 0 426.517 1.050 40 0 IDABRO COc1ccccc1C[N@@H+]1CCc2nc([C@H]3CCN(C(=O)c4ccn(C)n4)C3)[nH]c(=O)c2C1 ZINC000019290881 556731240 /nfs/dbraw/zinc/73/12/40/556731240.db2.gz SSWRFGHMZICTFA-KRWDZBQOSA-N 1 0 448.527 1.700 40 0 IDABRO NC(=O)C1CC[NH+](CC(=O)N2CCCC[C@@H]2c2nc(-c3ccsc3)cc(=O)[nH]2)CC1 ZINC000019406638 556755098 /nfs/dbraw/zinc/75/50/98/556755098.db2.gz IMQZEASHJRWNCR-QGZVFWFLSA-N 1 0 429.546 1.749 40 0 IDABRO CC(C)[N@H+]1CCc2nc3cc(C(=O)N(C)[C@]4(C)CCS(=O)(=O)C4)ccc3c(=O)n2CC1 ZINC000019448583 556758003 /nfs/dbraw/zinc/75/80/03/556758003.db2.gz KEWMSSZMEIRWCQ-JOCHJYFZSA-N 1 0 446.573 1.312 40 0 IDABRO C[C@@H]1C[N@H+](C)CC[C@@H]1CCc1ccc(NC(=O)Cn2cnc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000019497738 556770206 /nfs/dbraw/zinc/77/02/06/556770206.db2.gz RZXLHGJYWVWKLL-WBVHZDCISA-N 1 0 438.532 1.582 40 0 IDABRO CCC[NH+]1CCN(C(=O)[C@H](C)N2CC[C@@]3(CCC2=O)Nc2cc(C)ccc2C(=O)N3)CC1 ZINC000019503380 556774971 /nfs/dbraw/zinc/77/49/71/556774971.db2.gz RSBGXDFKNPTOBA-UUOWRZLLSA-N 1 0 441.576 1.802 40 0 IDABRO COc1ccccc1C[N@@H+]1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(S(C)(=O)=O)CC3)C1 ZINC000019570357 556810464 /nfs/dbraw/zinc/81/04/64/556810464.db2.gz DFAXTUURYQNJMD-INIZCTEOSA-N 1 0 432.546 1.476 40 0 IDABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@H]2CN1Cc1cn(CC(=O)NC[C@@H]2CCCO2)c2ccccc12 ZINC000019575334 556814687 /nfs/dbraw/zinc/81/46/87/556814687.db2.gz XFNASZKKNLWFAK-PMXSJFBMSA-N 1 0 426.561 1.576 40 0 IDABRO CN1CCN(C(=O)[C@]23CCC[C@H]2[N@H+](Cc2ccc(N4CCOCC4)nc2)CC=CC3)CC1 ZINC000019589778 556824540 /nfs/dbraw/zinc/82/45/40/556824540.db2.gz SMFMGXBDJLBPMF-RCZVLFRGSA-N 1 0 439.604 1.993 40 0 IDABRO C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)COc4ccc5c(c4)OCCO5)C3)[nH]c(=O)c2C1 ZINC000019590243 556825365 /nfs/dbraw/zinc/82/53/65/556825365.db2.gz RYDQCZQDXLAIMU-OAHLLOKOSA-N 1 0 440.500 1.726 40 0 IDABRO CCC(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)C[NH+]3CCCCCC3)C1)C2=O ZINC000019699750 556859674 /nfs/dbraw/zinc/85/96/74/556859674.db2.gz OGYPWYNVPLUOFI-GOSISDBHSA-N 1 0 447.580 1.176 40 0 IDABRO Cn1cc(C[NH+]2CCC(c3cc(C(F)(F)F)c4c(=O)n(C)c(=O)n(C)c4n3)CC2)cn1 ZINC000019744829 556891553 /nfs/dbraw/zinc/89/15/53/556891553.db2.gz LANIDTORPWWYOT-UHFFFAOYSA-N 1 0 436.438 1.764 40 0 IDABRO CN(CCO)C(=O)c1cc([C@@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)nc2ccccc21 ZINC000019759418 556903108 /nfs/dbraw/zinc/90/31/08/556903108.db2.gz XJZVRQMYTOWIEK-NRFANRHFSA-N 1 0 426.517 1.295 40 0 IDABRO CCOC(=O)[C@@H]1CN(C(=O)[C@H]([NH3+])Cc2ccccc2)C[C@]12COc1ccccc1C(=O)N2 ZINC000072334304 556906844 /nfs/dbraw/zinc/90/68/44/556906844.db2.gz YCCCPRQREJUUFK-GLDPYIMESA-N 1 0 437.496 1.139 40 0 IDABRO Cc1cc(-c2cnc(C)nc2C2CC[NH+](CC(=O)N3CCC(C(N)=O)CC3)CC2)on1 ZINC000072334655 556907111 /nfs/dbraw/zinc/90/71/11/556907111.db2.gz PQTOSWFGJLSDDN-UHFFFAOYSA-N 1 0 426.521 1.652 40 0 IDABRO C[NH+]1CCN(CCCNC(=O)[C@H]2C[C@@H]3CC[C@@]2(C)C[C@]32NC(=O)c3cccnc3N2)CC1 ZINC000072342624 556914647 /nfs/dbraw/zinc/91/46/47/556914647.db2.gz OBGJYBUURDAWIC-GOMRNUEMSA-N 1 0 440.592 1.513 40 0 IDABRO Cc1cccnc1C[NH+]1CCC(c2nc3c(c(=O)[nH]2)CN(S(=O)(=O)N(C)C)CC3)CC1 ZINC000072399039 556971296 /nfs/dbraw/zinc/97/12/96/556971296.db2.gz LIBJSNOUPVCMNE-UHFFFAOYSA-N 1 0 446.577 1.017 40 0 IDABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)C1 ZINC000020244406 557002518 /nfs/dbraw/zinc/00/25/18/557002518.db2.gz WYWSGVKVSPCXHQ-IAGOWNOFSA-N 1 0 428.574 1.923 40 0 IDABRO COCCn1nccc1C(=O)NC[C@H]1CCC2(CC[NH+](Cc3cc(C)n[nH]3)CC2)CO1 ZINC000585101329 557034800 /nfs/dbraw/zinc/03/48/00/557034800.db2.gz YQXASRCSIDOBPE-LJQANCHMSA-N 1 0 430.553 1.752 40 0 IDABRO C[NH+](C)CCNC(=O)c1nnc2n1CC[C@]1(CCN(C(=O)Cc3cccc(F)c3)C1)CC2 ZINC000585106792 557041091 /nfs/dbraw/zinc/04/10/91/557041091.db2.gz QLJQRHIJAXEIBB-HSZRJFAPSA-N 1 0 442.539 1.506 40 0 IDABRO COc1ccc(N([C@@H](C)C(=O)NCCCN2CC[NH+](C)CC2)S(C)(=O)=O)cc1Cl ZINC000022934917 557052165 /nfs/dbraw/zinc/05/21/65/557052165.db2.gz YSRZUINKKYPTMH-HNNXBMFYSA-N 1 0 447.001 1.257 40 0 IDABRO 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ZINC000096143580 557170498 /nfs/dbraw/zinc/17/04/98/557170498.db2.gz OMVSVZKPZPXHMV-VQTJNVASSA-N 1 0 441.557 1.220 40 0 IDABRO CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)NC)C1)CCN(S(=O)(=O)c1cccc(OC)c1)CC3 ZINC000096143865 557171308 /nfs/dbraw/zinc/17/13/08/557171308.db2.gz CMFIWQXSDXLRNB-SIKLNZKXSA-N 1 0 435.590 1.944 40 0 IDABRO Cc1cc(C(=O)N2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CC[NH+](C)C)[C@H]3CC2)no1 ZINC000096145925 557175944 /nfs/dbraw/zinc/17/59/44/557175944.db2.gz NHPWGVNAMXRFFG-ROUUACIJSA-N 1 0 448.545 1.601 40 0 IDABRO Cc1cccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)NC[C@@H]2CCCO2)Cn2ccnc23)n1 ZINC000096243773 557187874 /nfs/dbraw/zinc/18/78/74/557187874.db2.gz CTOXFXLGOFBJQT-VQTJNVASSA-N 1 0 425.533 1.772 40 0 IDABRO CCN1CC[C@@]2(C[N@H+](CCOC)CC23CCN(S(=O)(=O)c2cccs2)CC3)C1=O ZINC000096262811 557190478 /nfs/dbraw/zinc/19/04/78/557190478.db2.gz VXBFGLMDBCAJSU-HXUWFJFHSA-N 1 0 441.619 1.720 40 0 IDABRO C[N@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)CCC(N)=O ZINC000585262435 557201825 /nfs/dbraw/zinc/20/18/25/557201825.db2.gz GAJNIMSMKDECDT-VKGYTVAMSA-N 1 0 429.492 1.589 40 0 IDABRO COc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2[NH+]2CCC(O)CC2)cc1 ZINC000585262417 557201961 /nfs/dbraw/zinc/20/19/61/557201961.db2.gz VTPLBSWTFPASCH-LUKWVAJMSA-N 1 0 426.513 1.831 40 0 IDABRO C[N@H+](Cc1ccc(OCCN2CCOCC2)cc1)C[C@@]1(O)CCCN(c2ncccn2)C1 ZINC000585271470 557214710 /nfs/dbraw/zinc/21/47/10/557214710.db2.gz FTTYSIUJALGIKF-DEOSSOPVSA-N 1 0 441.576 1.651 40 0 IDABRO COCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1([NH2+][C@H]2Cc2ccc(O)cc2)C(=O)Nc2ccccc21 ZINC000097514677 557219231 /nfs/dbraw/zinc/21/92/31/557219231.db2.gz NKZXHBWKHXAHSY-AZXNSQLWSA-N 1 0 435.480 1.392 40 0 IDABRO CCOC(=O)N1CCC([N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585282075 557221361 /nfs/dbraw/zinc/22/13/61/557221361.db2.gz GTMSTSMXRMMKRB-QFIPXVFZSA-N 1 0 437.512 1.721 40 0 IDABRO CCOC(=O)N1CCC(O)(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(F)cc(F)c3)C2)CC1 ZINC000585282397 557221576 /nfs/dbraw/zinc/22/15/76/557221576.db2.gz JGPPRIZBZOULJL-RXVVDRJESA-N 1 0 444.475 1.125 40 0 IDABRO CCOC(=O)N1CCC(O)(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3ccc(F)c(C)c3)C2)CC1 ZINC000585282638 557222131 /nfs/dbraw/zinc/22/21/31/557222131.db2.gz LYOUDAIBMVAAIU-UGKGYDQZSA-N 1 0 440.512 1.294 40 0 IDABRO CCOC(=O)N1CCC([N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)CC1 ZINC000585283027 557222455 /nfs/dbraw/zinc/22/24/55/557222455.db2.gz OSTWIYQQDYGELV-HSZRJFAPSA-N 1 0 433.549 1.890 40 0 IDABRO COCC(=O)N1CC[N@H+](CC2(O)CCCCC2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585285015 557224418 /nfs/dbraw/zinc/22/44/18/557224418.db2.gz BKUAYCSGVFLLOG-QFIPXVFZSA-N 1 0 442.503 1.561 40 0 IDABRO O=C1CO[C@H]2C[N@@H+](CC3(O)CCN(c4ccccc4F)CC3)C[C@@H]2N1C1CCOCC1 ZINC000585285243 557224785 /nfs/dbraw/zinc/22/47/85/557224785.db2.gz WTHAOOLVWOGZNU-SFTDATJTSA-N 1 0 433.524 1.248 40 0 IDABRO O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]C2(c3ccc(F)cc3)CCCC2)C1 ZINC000585290518 557227212 /nfs/dbraw/zinc/22/72/12/557227212.db2.gz BZNAAIOBHZFVJC-IRLDBZIGSA-N 1 0 434.533 1.981 40 0 IDABRO COc1ccc(CC[NH2+]C[C@@]2(O)CCN(C(=O)CCc3ccccc3)C[C@@H]2O)cc1OC ZINC000585290231 557227233 /nfs/dbraw/zinc/22/72/33/557227233.db2.gz OZCGSXNORSLWKL-ZCYQVOJMSA-N 1 0 442.556 1.793 40 0 IDABRO Cc1nccn1CCC1CC[NH+](C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)CC1 ZINC000585290751 557228008 /nfs/dbraw/zinc/22/80/08/557228008.db2.gz DRCXDXDUUQNECO-YADHBBJMSA-N 1 0 448.589 1.090 40 0 IDABRO COc1ccc(CC[NH2+]C[C@]2(O)CN(C(=O)CCc3ccccc3)C[C@H]2O)cc1OC ZINC000585291204 557228695 /nfs/dbraw/zinc/22/86/95/557228695.db2.gz LQCNMEBXCQLTLY-VWNXMTODSA-N 1 0 428.529 1.403 40 0 IDABRO COc1ccc(C[NH2+]C[C@]2(O)CN(C(=O)Cc3ccc(Cl)cc3)C[C@H]2O)cc1OC ZINC000585291823 557229364 /nfs/dbraw/zinc/22/93/64/557229364.db2.gz TWIUAQSTXWUSNL-IRLDBZIGSA-N 1 0 434.920 1.624 40 0 IDABRO Cc1cc(=O)cc(C2CC[NH+](C[C@]3(O)CN(S(=O)(=O)c4ccccc4)C[C@H]3O)CC2)[nH]1 ZINC000585292228 557230422 /nfs/dbraw/zinc/23/04/22/557230422.db2.gz YPLQRKIKWFXCBT-YADHBBJMSA-N 1 0 447.557 1.072 40 0 IDABRO COc1ncccc1C[NH2+]C[C@H]1O[C@@H]2C[C@@H](CC(=O)NCc3ccc(F)cc3)O[C@@H]2[C@@H]1O ZINC000604381037 557236074 /nfs/dbraw/zinc/23/60/74/557236074.db2.gz CFKOFVAPPFYODO-UWRIJYQHSA-N 1 0 445.491 1.311 40 0 biogenic,in-vitro IDABRO CC(=O)N1CCC([NH2+][C@@H]2C[C@@H](O)[C@H](CO)[C@H]2Cc2ccnc(-c3cccnc3)n2)CC1 ZINC000604382265 557237018 /nfs/dbraw/zinc/23/70/18/557237018.db2.gz MQAYIINZYPLLCS-GXRSIYKFSA-N 1 0 425.533 1.040 40 0 biogenic,in-vitro IDABRO C[NH+]1CCN(c2ccc(NC(=O)CCN3C(=O)c4ccccc4S3(=O)=O)cc2)CC1 ZINC000219673604 557262140 /nfs/dbraw/zinc/26/21/40/557262140.db2.gz ROMQFNFLLRQSSK-UHFFFAOYSA-N 1 0 428.514 1.612 40 0 IDABRO CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)Oc2ccccc21 ZINC000113946540 557380768 /nfs/dbraw/zinc/38/07/68/557380768.db2.gz HOXZWXRNTZPYJQ-NRFANRHFSA-N 1 0 444.557 1.994 40 0 IDABRO COCCn1nnnc1[C@@H](c1ccc(OC)c(OC)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000019593924 557506161 /nfs/dbraw/zinc/50/61/61/557506161.db2.gz MOTQATUMJDRVFQ-OAQYLSRUSA-N 1 0 430.553 1.986 40 0 IDABRO COCCn1nnnc1[C@H](c1ccc(OC)cc1OC)N1CC[NH+](C2CCCC2)CC1 ZINC000019593999 557506192 /nfs/dbraw/zinc/50/61/92/557506192.db2.gz XEESOSPONBJQFR-NRFANRHFSA-N 1 0 430.553 1.986 40 0 IDABRO COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000223863689 557522047 /nfs/dbraw/zinc/52/20/47/557522047.db2.gz MONWIRMRWMAGAK-UHFFFAOYSA-N 1 0 432.546 1.706 40 0 IDABRO COc1ccc(C[NH2+]C[C@@]2(O)CN(C(=O)CCc3ccccc3)CC[C@@H]2O)c(OC)c1 ZINC000585285674 568619031 /nfs/dbraw/zinc/61/90/31/568619031.db2.gz RSZGVQBVRWGQSV-LADGPHEKSA-N 1 0 428.529 1.751 40 0 IDABRO CCCc1nc2ccccc2n1CC(=O)N[C@H]1CCC[C@H](n2cnc3c2ncnc3N)[C@H]1O ZINC000257202661 568666386 /nfs/dbraw/zinc/66/63/86/568666386.db2.gz AMTYKDSMAKSKSC-WJPUGNRLSA-N 1 0 448.531 1.982 40 0 IDABRO Cc1nonc1CC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC000257205234 568667604 /nfs/dbraw/zinc/66/76/04/568667604.db2.gz AYDMPMSGHBGJRG-FIXSFTCYSA-N 1 0 441.576 1.526 40 0 IDABRO COc1ccc(CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2c2ccc(CNC(=O)CO)cc2)cc1 ZINC000257221639 568675184 /nfs/dbraw/zinc/67/51/84/568675184.db2.gz DPYHHHVZZLXZEW-VXKWHMMOSA-N 1 0 425.529 1.308 40 0 IDABRO CC(=O)N1CCN([C@@H]2CC[C@@H](N(C)C(=O)c3cc(-c4ccccc4F)n[nH]3)[C@H]2O)CC1 ZINC000257227394 568677655 /nfs/dbraw/zinc/67/76/55/568677655.db2.gz FPBSWJWQNFXDHK-NJDAHSKKSA-N 1 0 429.496 1.344 40 0 IDABRO Cc1nc2ccccc2n1CCC(=O)N[C@H]1CCC[C@H](n2cnc3c2ncnc3N)[C@H]1O ZINC000257242896 568684908 /nfs/dbraw/zinc/68/49/08/568684908.db2.gz IEQIROCXSDCKHY-KNBMTAEXSA-N 1 0 434.504 1.728 40 0 IDABRO CS(=O)(=O)N1CCC[C@@]12CCN(CC(=O)Nc1ccc(C(F)(F)F)cc1)C[C@@H]2O ZINC000257256793 568691909 /nfs/dbraw/zinc/69/19/09/568691909.db2.gz KMYQUAJOCQJZHO-RDJZCZTQSA-N 1 0 435.468 1.505 40 0 IDABRO O=C(N[C@@H]1CCC[C@@H](n2ccc(=O)[nH]c2=O)[C@@H]1O)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000257266234 568695833 /nfs/dbraw/zinc/69/58/33/568695833.db2.gz MCBXPSJFXROYHC-SFHLNBCPSA-N 1 0 442.516 1.308 40 0 IDABRO C[N@@H+]1CC[C@@H](O)[C@H]2[C@H](c3ccccc3)CN(C(=O)CCNC(=O)c3cncc(O)c3)[C@@H]2C1 ZINC000257275346 568699941 /nfs/dbraw/zinc/69/99/41/568699941.db2.gz NOYUDDBOSMZFQO-GNXKAVGDSA-N 1 0 438.528 1.214 40 0 IDABRO CC(=O)N1CC[NH+](C[C@]2(O)CCN(CC(=O)Nc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000257286815 568705386 /nfs/dbraw/zinc/70/53/86/568705386.db2.gz PNDWHQLWBLEAMT-LJQANCHMSA-N 1 0 428.455 1.245 40 0 IDABRO CNc1cc(N2CCC[C@](O)(CNC(=O)c3ccc(OCC[NH+](C)C)cc3)C2)ncn1 ZINC000257289019 568706157 /nfs/dbraw/zinc/70/61/57/568706157.db2.gz PWQXMBRSQDMWLB-QFIPXVFZSA-N 1 0 428.537 1.220 40 0 IDABRO COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3ccccc3OC)[C@H]([N@H+](C)CCO)[C@H]2O)c1 ZINC000257291440 568707297 /nfs/dbraw/zinc/70/72/97/568707297.db2.gz QGZDLTJWRDCDDZ-YJMBLLCNSA-N 1 0 430.501 1.307 40 0 IDABRO Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccc(OCC[NH+]4CCCC4)cc3)C2)ncn1 ZINC000257296060 568709596 /nfs/dbraw/zinc/70/95/96/568709596.db2.gz RBBNIASKPBUOCY-DEOSSOPVSA-N 1 0 439.560 1.973 40 0 IDABRO C[NH2+]CCOc1cccc(C(=O)N(C)C[C@]2(O)CCN(c3ccnc4cccnc43)C2)c1 ZINC000257308778 568714926 /nfs/dbraw/zinc/71/49/26/568714926.db2.gz TYBGYPAAWYGJJT-XMMPIXPASA-N 1 0 435.528 1.941 40 0 IDABRO Cc1ccc(CNC(=O)[C@H]2C[N@@H+](C)CC3(CCN(C(=O)c4ccn(C)n4)CC3)O2)cc1 ZINC000306125419 568763750 /nfs/dbraw/zinc/76/37/50/568763750.db2.gz CQBQLBLDKXDXPU-HXUWFJFHSA-N 1 0 425.533 1.350 40 0 IDABRO C[NH+](C)CCNC(=O)[C@@H]1CC[C@H]2CN(Cc3cccnc3)S(=O)(=O)c3ccccc3N21 ZINC000306132876 568767345 /nfs/dbraw/zinc/76/73/45/568767345.db2.gz LVEIUBZZSWTZHG-ICSRJNTNSA-N 1 0 443.573 1.301 40 0 IDABRO C[N@@H+]1C[C@H](C(=O)NCCc2ccccc2)OC2(CCN(C(=O)Cc3ccco3)CC2)C1 ZINC000306135616 568769229 /nfs/dbraw/zinc/76/92/29/568769229.db2.gz OVZNJIVXCQNFDZ-OAQYLSRUSA-N 1 0 425.529 1.873 40 0 IDABRO Cc1nc(Cn2nc3n(c(=O)c2=O)C[C@]2(CC[N@H+](Cc4ccc(F)cc4)C2)C3)cs1 ZINC000306136891 568769619 /nfs/dbraw/zinc/76/96/19/568769619.db2.gz QFZHLESEMFBMBG-OAQYLSRUSA-N 1 0 427.505 1.806 40 0 IDABRO COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@]2(CC[N@H+](Cc4cccc(C)n4)C2)C3)cc1 ZINC000306137377 568770011 /nfs/dbraw/zinc/77/00/11/568770011.db2.gz QURZZZHFIGVFFL-XMMPIXPASA-N 1 0 433.512 1.614 40 0 IDABRO CC[NH+](CC)CCCNC(=O)c1nc([C@@H]2CCCN(S(C)(=O)=O)C2)n2ccccc12 ZINC000306142905 568772930 /nfs/dbraw/zinc/77/29/30/568772930.db2.gz XNVOXHSSEFPUBC-QGZVFWFLSA-N 1 0 435.594 1.935 40 0 IDABRO COc1cc(C(=O)N2CCN(c3cn[nH+]c(N4CCOCC4)c3)CC2)cc(OC)c1OC ZINC000224328504 568918334 /nfs/dbraw/zinc/91/83/34/568918334.db2.gz FYECNSSOLBGHAZ-UHFFFAOYSA-N 1 0 443.504 1.301 40 0 IDABRO COc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)cn[nH+]3)CC2)cc1C ZINC000224325652 568918405 /nfs/dbraw/zinc/91/84/05/568918405.db2.gz LZILJBGYXMYDNZ-UHFFFAOYSA-N 1 0 433.534 1.141 40 0 IDABRO CC[C@]12C=CC[N@@H+]3CC[C@]4(c5ccc(OC)cc5N[C@@H]4[C@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@H]32 ZINC000245229703 569205310 /nfs/dbraw/zinc/20/53/10/569205310.db2.gz DMQBJQRBCCUDSL-BFRWAMQBSA-N 1 0 442.512 1.617 40 0 IDABRO CCC(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)C[N@@H+]3CCCC[C@H]3C)C1)C2=O ZINC000248070598 569207006 /nfs/dbraw/zinc/20/70/06/569207006.db2.gz GDJHDJXXQZMCPA-MSOLQXFVSA-N 1 0 447.580 1.175 40 0 IDABRO COc1ccc(N(CC(=O)NCCC[NH+]2CCCCCC2)S(C)(=O)=O)cc1OC ZINC000010111171 569221168 /nfs/dbraw/zinc/22/11/68/569221168.db2.gz QRANCRHKBCNVHH-UHFFFAOYSA-N 1 0 427.567 1.852 40 0 IDABRO C[C@@H](C(=O)NCCC[NH+]1CCCCC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000010279790 569222066 /nfs/dbraw/zinc/22/20/66/569222066.db2.gz OPNCDLRKRSEPGJ-INIZCTEOSA-N 1 0 425.551 1.605 40 0 IDABRO CC(C)NC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2ccccc2)C[C@@]12Cc1ccccc1C(=O)N2 ZINC000019449798 569226563 /nfs/dbraw/zinc/22/65/63/569226563.db2.gz CNHVRDWUQCTIEA-WATLYSKOSA-N 1 0 434.540 1.264 40 0 IDABRO CN(C)c1cc([C@H]2CC(=O)N(C)C2)nc(C2CCN(C(=O)C[NH+]3CCCCC3)CC2)n1 ZINC000019697517 569229950 /nfs/dbraw/zinc/22/99/50/569229950.db2.gz GYJLQMUMFMDCNG-SFHVURJKSA-N 1 0 428.581 1.680 40 0 IDABRO CC(=O)N1C[C@H](C(=O)N2CCN(c3cnccn3)CC2)[C@@H](c2ccc(C[NH+](C)C)cc2)C1 ZINC000019699208 569230491 /nfs/dbraw/zinc/23/04/91/569230491.db2.gz JRFAGUQIVMXOSQ-YADHBBJMSA-N 1 0 436.560 1.449 40 0 IDABRO CS(=O)(=O)N1CCC[C@@H](N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)C1 ZINC000019699964 569231031 /nfs/dbraw/zinc/23/10/31/569231031.db2.gz UUMHIYTWBNEHBB-GOSISDBHSA-N 1 0 434.562 1.040 40 0 IDABRO Cn1cc2c(n1)[C@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)CN(C(=O)C[NH+](C)C)C2 ZINC000019701252 569231385 /nfs/dbraw/zinc/23/13/85/569231385.db2.gz QCEMYIPWRARRDO-GOSISDBHSA-N 1 0 426.496 1.387 40 0 IDABRO CC1CC[NH+](CC(=O)N2CCO[C@H](c3c4cccnc4sc3C(=O)NCCO)C2)CC1 ZINC000019702948 569232478 /nfs/dbraw/zinc/23/24/78/569232478.db2.gz DVWRPMOUUSMIJE-KRWDZBQOSA-N 1 0 446.573 1.650 40 0 IDABRO CC1CC[NH+](CC(=O)N2CCO[C@@H](c3c4cccnc4sc3C(=O)NCCO)C2)CC1 ZINC000019702947 569232492 /nfs/dbraw/zinc/23/24/92/569232492.db2.gz DVWRPMOUUSMIJE-QGZVFWFLSA-N 1 0 446.573 1.650 40 0 IDABRO Cn1c2nc(N3CC[NH2+]CC3)n(Cc3ccccc3)c2c(=O)n(Cc2ccccc2)c1=O ZINC000008892079 569483409 /nfs/dbraw/zinc/48/34/09/569483409.db2.gz YJVGEBQODAYCPR-UHFFFAOYSA-N 1 0 430.512 1.403 40 0 IDABRO CC(=O)N1CCC([N@H+]2C[C@H]3C[C@H](Cn4c3ccc(NC(=O)c3cnccn3)c4=O)C2)CC1 ZINC000004259171 291319690 /nfs/dbraw/zinc/31/96/90/291319690.db2.gz PZODWNWBLLMFHY-DLBZAZTESA-N 1 0 436.516 1.321 40 0 biogenic,in-vitro IDABRO C[NH+](C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C(=S)NC[C@H]1CCCO1 ZINC000006198569 193892240 /nfs/dbraw/zinc/89/22/40/193892240.db2.gz HMKGVTVTQIDOGH-QGZVFWFLSA-N 1 0 446.573 1.716 40 0 IDABRO CN(c1ccc(C(=O)NCCCN2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000022829654 523635358 /nfs/dbraw/zinc/63/53/58/523635358.db2.gz ZOBAEMBEZPEUDR-UHFFFAOYSA-N 1 0 430.574 1.879 40 0 IDABRO CN1[C@@H]2CC[N@@H+](C3CCOCC3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccc(F)cc1 ZINC000035442403 524030897 /nfs/dbraw/zinc/03/08/97/524030897.db2.gz GIIMQAASKXTJKF-VWPQPMDRSA-N 1 0 432.540 1.274 40 0 biogenic,in-vitro IDABRO C[C@@H](c1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@@]21c2ccccc2NC1=O ZINC000020760326 526091749 /nfs/dbraw/zinc/09/17/49/526091749.db2.gz XKLVJEDXEYQMDS-BHPHKFCNSA-N 1 0 432.480 1.434 40 0 IDABRO COc1cccc(C(=O)NCC[NH2+]CCNC(=O)c2cccc(OC)c2OC)c1OC ZINC000005759917 556065078 /nfs/dbraw/zinc/06/50/78/556065078.db2.gz XJOIWEPUXWDDGP-UHFFFAOYSA-N 1 0 431.489 1.470 40 0 IDABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccn3)CC2)=[NH+][C@H]1c1ccc(OC)cc1 ZINC000010385670 556333904 /nfs/dbraw/zinc/33/39/04/556333904.db2.gz RHYJTRBEXXBVFB-UXHICEINSA-N 1 0 437.500 1.619 40 0 IDABRO CN(C)c1cc(N2CCC[C@](O)(C[NH2+]Cc3cccc(CN4CCOCC4)c3)C2)ncn1 ZINC000257226852 556708674 /nfs/dbraw/zinc/70/86/74/556708674.db2.gz FMLBLYNBEKMACX-DEOSSOPVSA-N 1 0 440.592 1.496 40 0 IDABRO CN1C[C@H](C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H]([NH+]3CCN(C)CC3)CC2)CC1=O ZINC000257250840 556711740 /nfs/dbraw/zinc/71/17/40/556711740.db2.gz JOFMUPNFEGVFIQ-AXJZPPOTSA-N 1 0 442.604 1.070 40 0 IDABRO Cc1ccc2c(c1)N[C@]1(CCC(=O)N([C@@H](C)C(=O)NCC[NH+]3CCCC3)CC1)NC2=O ZINC000019219584 556714043 /nfs/dbraw/zinc/71/40/43/556714043.db2.gz AIUODJDXHFRTNV-GAJHUEQPSA-N 1 0 427.549 1.460 40 0 IDABRO CNc1cc(N2CCC[C@](O)(C[NH2+]Cc3cccc(CN4CCOCC4)c3)C2)ncn1 ZINC000257281264 556714840 /nfs/dbraw/zinc/71/48/40/556714840.db2.gz OOIZHYUQGVXRAF-QHCPKHFHSA-N 1 0 426.565 1.472 40 0 IDABRO Cn1nc(-c2ccc(F)cc2)cc1C[NH+]1CCC(NC(=O)CN2CCN(C)CC2)CC1 ZINC000019288908 556728815 /nfs/dbraw/zinc/72/88/15/556728815.db2.gz QCVOJMBRKKFORL-UHFFFAOYSA-N 1 0 428.556 1.554 40 0 IDABRO COc1cccc([C@@H]2C[N@H+](Cc3cnc(N4CCOCC4)nc3)C[C@]23CCCC(=O)N3)c1 ZINC000019566075 556806527 /nfs/dbraw/zinc/80/65/27/556806527.db2.gz DPTOVNFJVNTXTA-XUZZJYLKSA-N 1 0 437.544 1.960 40 0 IDABRO CS(=O)(=O)N1CCc2nc([C@H]3CCC[N@H+](Cc4ccc(F)c(F)c4)C3)[nH]c(=O)c2C1 ZINC000019572717 556813072 /nfs/dbraw/zinc/81/30/72/556813072.db2.gz ZBFPUTNAWUUPGF-AWEZNQCLSA-N 1 0 438.500 1.745 40 0 IDABRO CN(C)C(=O)[C@H]1C[N@H+](CCOc2ccccc2F)C[C@@]12COc1ccccc1C(=O)N2 ZINC000019581122 556819390 /nfs/dbraw/zinc/81/93/90/556819390.db2.gz RFIVXDYXXJNHAK-UZUQRXQVSA-N 1 0 427.476 1.786 40 0 IDABRO CN(C)S(=O)(=O)N1CCc2nc([C@@H]3CCC[N@H+](Cc4ccccc4F)C3)[nH]c(=O)c2C1 ZINC000019583790 556821406 /nfs/dbraw/zinc/82/14/06/556821406.db2.gz UNPMIDJAMHECJG-MRXNPFEDSA-N 1 0 449.552 1.453 40 0 IDABRO Cc1ccc2cc(CN(CC[NH+](C)C)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2c1 ZINC000006409555 556834917 /nfs/dbraw/zinc/83/49/17/556834917.db2.gz IFNZADPHWXZAEI-UHFFFAOYSA-N 1 0 445.633 1.797 40 0 IDABRO CN(Cc1ccc([C@H]2C[N@H+](C)C[C@@H]2C(N)=O)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000019698773 556857767 /nfs/dbraw/zinc/85/77/67/556857767.db2.gz VQUYGMMINHAMMQ-MOPGFXCFSA-N 1 0 445.541 1.409 40 0 IDABRO COc1ccc(F)cc1S(=O)(=O)N(C)Cc1ccc([C@H]2C[N@H+](C)C[C@@H]2C(N)=O)cc1 ZINC000019698774 556857960 /nfs/dbraw/zinc/85/79/60/556857960.db2.gz LQJBEQLAXVABNJ-MSOLQXFVSA-N 1 0 435.521 1.786 40 0 IDABRO CCC(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)C[NH+]3CCCCCC3)C1)C2=O ZINC000019699751 556859761 /nfs/dbraw/zinc/85/97/61/556859761.db2.gz OGYPWYNVPLUOFI-SFHVURJKSA-N 1 0 447.580 1.176 40 0 IDABRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC(c2ccc(C(=O)N3CCOCC3)cn2)CC1 ZINC000019705783 556863325 /nfs/dbraw/zinc/86/33/25/556863325.db2.gz LKXIZGKWAAHDRW-GOSISDBHSA-N 1 0 430.549 1.228 40 0 IDABRO CN(C)c1cc([C@@H]2CCC[NH2+]C2)nc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)n1 ZINC000019709967 556871648 /nfs/dbraw/zinc/87/16/48/556871648.db2.gz NOHHGQZZOCJBJB-OAHLLOKOSA-N 1 0 447.561 1.602 40 0 IDABRO Cn1cc(C(=O)NCc2ccc(F)cc2)c(CC2CC[NH+](CC(=O)N3CCC3)CC2)n1 ZINC000019756637 556900372 /nfs/dbraw/zinc/90/03/72/556900372.db2.gz DOGCYGQERWTCET-UHFFFAOYSA-N 1 0 427.524 1.976 40 0 IDABRO COCCNC(=O)c1cc([C@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)nc2ccccc21 ZINC000019759363 556902992 /nfs/dbraw/zinc/90/29/92/556902992.db2.gz AXPOEMWXFPYJDC-OAQYLSRUSA-N 1 0 426.517 1.607 40 0 IDABRO COc1cccc(CNC(=O)c2cnc([C@H]3CCCN(C(=O)C[NH+](C)C)C3)nc2C)c1 ZINC000019763553 556908259 /nfs/dbraw/zinc/90/82/59/556908259.db2.gz YRFQNGGBPFDWHU-SFHVURJKSA-N 1 0 425.533 1.991 40 0 IDABRO Cc1nc([C@H]2CCCCN2CC(=O)N2CCC([NH+]3CCCCC3)CC2)ncc1C(N)=O ZINC000019764505 556908973 /nfs/dbraw/zinc/90/89/73/556908973.db2.gz GLYAQLVCMVPTKY-HXUWFJFHSA-N 1 0 428.581 1.888 40 0 IDABRO CC[NH+]1CCN(CCNC(=O)[C@H]2C[C@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3O2)CC1 ZINC000072339110 556911300 /nfs/dbraw/zinc/91/13/00/556911300.db2.gz PUGIRCRHHJYSCK-OMANQYLTSA-N 1 0 426.561 1.695 40 0 IDABRO CC(=O)N1CCC[C@@H](c2ccccc2CC2(C(N)=O)CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000072380178 556957844 /nfs/dbraw/zinc/95/78/44/556957844.db2.gz HLYTVLJNVNGDJM-HXUWFJFHSA-N 1 0 428.577 1.611 40 0 IDABRO CCOc1ncc([C@]2(O)CC[C@H]3C[N@H+](Cc4cnc(N(C)C)nc4)C[C@H]32)c(OCC)n1 ZINC000072392649 556963954 /nfs/dbraw/zinc/96/39/54/556963954.db2.gz LJPIXWPHQBMWNV-AQOAWAETSA-N 1 0 428.537 1.860 40 0 IDABRO C[NH+]1CCN(CCCNC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)CC1 ZINC000020037581 556970449 /nfs/dbraw/zinc/97/04/49/556970449.db2.gz AVHUYOYRPGSOBF-UHFFFAOYSA-N 1 0 446.548 1.755 40 0 IDABRO NC(=O)C1CCN(C(=O)[C@H]2C[N@H+](Cc3cccc(OCCO)c3)CC23CCOCC3)CC1 ZINC000585101975 557035758 /nfs/dbraw/zinc/03/57/58/557035758.db2.gz NQXLIVYDDMJADM-OAQYLSRUSA-N 1 0 445.560 1.010 40 0 IDABRO Cc1noc(C)c1C(=O)N1CC[C@@]2(C1)CCc1nnc(C(=O)NCC[NH+](C)C)n1CC2 ZINC000585106770 557041176 /nfs/dbraw/zinc/04/11/76/557041176.db2.gz DWDPWXVSFHHZOW-NRFANRHFSA-N 1 0 429.525 1.043 40 0 IDABRO Cc1noc(C)c1C(=O)N1CCO[C@]2(C1)C(=O)N(CC[NH+](C)C)C[C@H]2c1ccccc1 ZINC000585107000 557041476 /nfs/dbraw/zinc/04/14/76/557041476.db2.gz NONIVOJFEUNZHJ-CVDCTZTESA-N 1 0 426.517 1.690 40 0 IDABRO COc1ccc([C@@H]2CC(=O)c3c(C)nc(N4CCN(CCO)CC4)nc3C2)c(OC)c1 ZINC000021123175 557135292 /nfs/dbraw/zinc/13/52/92/557135292.db2.gz IAVLNTNAGOVYCK-INIZCTEOSA-N 1 0 426.517 1.829 40 0 IDABRO C[NH+](C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NC[C@H]1CCCO1 ZINC000006198577 557150333 /nfs/dbraw/zinc/15/03/33/557150333.db2.gz WDKMWWJAYFRUHV-MRXNPFEDSA-N 1 0 432.546 1.674 40 0 IDABRO C[NH+](C)C1CCN(C(=O)c2cn(-c3nc(CN4CCOCC4)c4ccccn43)cn2)CC1 ZINC000096155549 557180080 /nfs/dbraw/zinc/18/00/80/557180080.db2.gz NENVEGJAIBFZTF-UHFFFAOYSA-N 1 0 437.548 1.518 40 0 IDABRO CN(C)C(=O)N1CCN(c2ccc3ccc(C(=O)N4CCC([NH+](C)C)CC4)cn32)CC1 ZINC000096156048 557180813 /nfs/dbraw/zinc/18/08/13/557180813.db2.gz LFVPRYLYHTXFQB-UHFFFAOYSA-N 1 0 426.565 1.909 40 0 IDABRO COc1cccc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2[NH+]2CCC(O)CC2)c1 ZINC000585262423 557201902 /nfs/dbraw/zinc/20/19/02/557201902.db2.gz XMYFKCUGVHXCSH-LUKWVAJMSA-N 1 0 444.503 1.970 40 0 IDABRO C[N@H+](Cc1ccc(OCCN2CCOCC2)cc1)C[C@]1(O)CCCN(c2ncccn2)C1 ZINC000585271473 557213453 /nfs/dbraw/zinc/21/34/53/557213453.db2.gz FTTYSIUJALGIKF-XMMPIXPASA-N 1 0 441.576 1.651 40 0 IDABRO COCC(=O)N1CC[N@H+](CC2(O)CCCCC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585282154 557221309 /nfs/dbraw/zinc/22/13/09/557221309.db2.gz HPUSYWZFSSVRMF-DEOSSOPVSA-N 1 0 434.577 1.899 40 0 IDABRO CN(C)C(=O)[C@@H]1CN(S(C)(=O)=O)CC[N@H+](C[C@@]2(O)CC[C@H](c3ccccc3)CC2)C1 ZINC000585282322 557221597 /nfs/dbraw/zinc/22/15/97/557221597.db2.gz DMKSSUHGPHNCJQ-JAXLGGSGSA-N 1 0 437.606 1.357 40 0 IDABRO COc1ccc(OC)c(N(CC(=O)NCCC[NH+]2CCC(C)CC2)S(C)(=O)=O)c1 ZINC000010540557 557222181 /nfs/dbraw/zinc/22/21/81/557222181.db2.gz KVIXOEYYRJOXJN-UHFFFAOYSA-N 1 0 427.567 1.708 40 0 IDABRO CCOC(=O)N1CCC(O)(C[N@@H+]2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585283768 557223194 /nfs/dbraw/zinc/22/31/94/557223194.db2.gz UNXDENWGWFURKI-OAQYLSRUSA-N 1 0 444.475 1.390 40 0 IDABRO O=C(c1ccc(Cl)cc1)N1CC[C@](O)(C[NH2+]CCc2ccc3c(c2)OCO3)[C@@H](O)C1 ZINC000585284486 557224229 /nfs/dbraw/zinc/22/42/29/557224229.db2.gz LHJAXLUJCVWPDC-UNMCSNQZSA-N 1 0 432.904 1.839 40 0 IDABRO COCC(=O)N1CC[N@H+](CC2(O)CCCC2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585284732 557224480 /nfs/dbraw/zinc/22/44/80/557224480.db2.gz ZMTBPDQXJBOLPO-NRFANRHFSA-N 1 0 428.476 1.170 40 0 IDABRO CC(C)(CN1CCCCCC1)[NH2+]C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O ZINC000585289476 557226540 /nfs/dbraw/zinc/22/65/40/557226540.db2.gz HUBZTYXFIXADKO-CTNGQTDRSA-N 1 0 425.595 1.027 40 0 IDABRO COc1ccc(CC[NH2+]C[C@@]2(O)CCN(C(=O)Cc3ccccc3)C[C@@H]2O)cc1OC ZINC000585291018 557228331 /nfs/dbraw/zinc/22/83/31/557228331.db2.gz ZJPBTCOVHZNDEY-UPVQGACJSA-N 1 0 428.529 1.403 40 0 IDABRO COCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1C[NH+](C)C ZINC000057773624 557265420 /nfs/dbraw/zinc/26/54/20/557265420.db2.gz KMWATVARLMQEMD-SFTDATJTSA-N 1 0 425.529 1.712 40 0 IDABRO C[NH+]1CCN(CCCNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)CC1 ZINC000022829620 557271165 /nfs/dbraw/zinc/27/11/65/557271165.db2.gz SEXQGGMHVWZLBP-UHFFFAOYSA-N 1 0 437.393 1.513 40 0 IDABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ncccn3)CC2)=[NH+][C@@H]1c1cccc(Cl)c1 ZINC000013640130 557384813 /nfs/dbraw/zinc/38/48/13/557384813.db2.gz UZFVUFJOAJVKQP-IAGOWNOFSA-N 1 0 442.907 1.658 40 0 IDABRO COCCn1nnnc1[C@H](c1ccc(OC)c(OC)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000019593923 557506181 /nfs/dbraw/zinc/50/61/81/557506181.db2.gz MOTQATUMJDRVFQ-NRFANRHFSA-N 1 0 430.553 1.986 40 0 IDABRO CC[C@@]12C=CC[N@@H+]3CC[C@@]4(c5ccc(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1C(C)=O)[C@@H]32 ZINC000098181785 557839666 /nfs/dbraw/zinc/83/96/66/557839666.db2.gz PRAVTXPSWIMKTH-KXSDHGPUSA-N 1 0 440.540 1.915 40 0 IDABRO CCOc1cc(C[N@@H+]2CC[C@](O)(CN3CCOCC3)C2)ccc1OCCN1CCOCC1 ZINC000585270869 568617532 /nfs/dbraw/zinc/61/75/32/568617532.db2.gz CAVGYPBLPWQSJB-DEOSSOPVSA-N 1 0 449.592 1.065 40 0 IDABRO O=C(NC[C@]1(O)C[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@H]1O)c1ccccn1 ZINC000585271262 568617766 /nfs/dbraw/zinc/61/77/66/568617766.db2.gz VRFVKVQZHCPPHJ-VWNXMTODSA-N 1 0 434.496 1.393 40 0 IDABRO CC(=O)N1CCN([C@H]2CCN(C(=O)c3cc(-c4ccc(F)cc4)n(C)n3)CC[C@@H]2O)CC1 ZINC000257213782 568671427 /nfs/dbraw/zinc/67/14/27/568671427.db2.gz CJBCRVITTOILIR-UNMCSNQZSA-N 1 0 443.523 1.356 40 0 IDABRO Cc1cc(N2CC[C@](O)(CN(C)C(=O)COc3ccc(C[NH+]4CCCC4)cc3)C2)ncn1 ZINC000257232637 568680436 /nfs/dbraw/zinc/68/04/36/568680436.db2.gz GLUCRWCQIGSBIK-DEOSSOPVSA-N 1 0 439.560 1.859 40 0 IDABRO CNc1nc([C@H]2CCN(C(=O)CN3CCc4ccccc4C3)C2)nc2c1CCN(C(C)=O)C2 ZINC000257256791 568691739 /nfs/dbraw/zinc/69/17/39/568691739.db2.gz KMXXLQYXDILQDE-FQEVSTJZSA-N 1 0 448.571 1.797 40 0 IDABRO CN1CCN(C(=O)C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]2Oc2ccccc2)CC1 ZINC000257258717 568692665 /nfs/dbraw/zinc/69/26/65/568692665.db2.gz KVFCLPJMOZBPRY-GMAHTHKFSA-N 1 0 442.604 1.788 40 0 IDABRO Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3cccc(OCC[NH3+])c3)C2)c2cnccc2n1 ZINC000257278100 568701492 /nfs/dbraw/zinc/70/14/92/568701492.db2.gz OAUFLALJYWHRDY-XMMPIXPASA-N 1 0 435.528 1.989 40 0 IDABRO O=C1CNC(=O)C2(CC[NH+](Cc3ncccc3F)CC2)C/C=C/C[C@H]2COCC[C@H]2N1 ZINC000257282690 568703283 /nfs/dbraw/zinc/70/32/83/568703283.db2.gz OUVDYFNUOQMCLI-IZMBPXMOSA-N 1 0 430.524 1.790 40 0 IDABRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@H](O)[C@@H](n2ccc(=O)[nH]c2=O)CC1 ZINC000257290295 568706770 /nfs/dbraw/zinc/70/67/70/568706770.db2.gz QCIFPVZZMUQDBE-PMACEKPBSA-N 1 0 426.517 1.773 40 0 IDABRO Cc1cc(-c2nccn2C)nc(CC2CC[NH+](C3CCN(S(C)(=O)=O)CC3)CC2)n1 ZINC000257291559 568707430 /nfs/dbraw/zinc/70/74/30/568707430.db2.gz QHNNKMQMGAFCST-UHFFFAOYSA-N 1 0 432.594 1.864 40 0 IDABRO O=C(CN1CCOCC1)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1 ZINC000257308391 568714855 /nfs/dbraw/zinc/71/48/55/568714855.db2.gz TWOLTRWCSYBWHM-CQOQZXRMSA-N 1 0 431.577 1.009 40 0 IDABRO COCC(=O)NCc1ccc([C@@H]2C[N@H+](C)C[C@H]2C(=O)NCCc2ccc(OC)cc2)cc1 ZINC000257316775 568718543 /nfs/dbraw/zinc/71/85/43/568718543.db2.gz VGYQFTZMINLPFS-XZOQPEGZSA-N 1 0 439.556 1.962 40 0 IDABRO CN1CC[NH+](C[C@@]2(O)CCN(CC(=O)Nc3ccc(Oc4cccnc4)cc3)C2)CC1 ZINC000257330416 568724451 /nfs/dbraw/zinc/72/44/51/568724451.db2.gz XOHDGSWUOHIHPG-QHCPKHFHSA-N 1 0 425.533 1.497 40 0 IDABRO Nc1ncnc2c1ncn2[C@H]1CCC[C@H](NC(=O)c2cccc(OCCC[NH3+])c2)[C@@H]1O ZINC000257339980 568728487 /nfs/dbraw/zinc/72/84/87/568728487.db2.gz ZEACJIVFMYLJFH-BQFCYCMXSA-N 1 0 425.493 1.021 40 0 IDABRO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CC[N@@H+](Cc3cnn(C(C)C)c3)C2)cs1 ZINC000306123361 568762754 /nfs/dbraw/zinc/76/27/54/568762754.db2.gz AKYSGPMEUKTPDO-OAQYLSRUSA-N 1 0 441.561 1.543 40 0 IDABRO CN(C)C(=O)N1CCC[C@H]1c1nc(C(=O)NCCCN2CC[NH+](C)CC2)c2ccccn21 ZINC000306126260 568764159 /nfs/dbraw/zinc/76/41/59/568764159.db2.gz DQZVLBVQHRKCFC-IBGZPJMESA-N 1 0 441.580 1.520 40 0 IDABRO Cn1nccc1C(=O)N1CCC2(CC1)C[N@H+](C)C[C@@H](C(=O)NCc1ccc(F)cc1)O2 ZINC000306126734 568764503 /nfs/dbraw/zinc/76/45/03/568764503.db2.gz FDSJNNJHHOORFA-IBGZPJMESA-N 1 0 429.496 1.181 40 0 IDABRO COc1cccc(NC(=O)[C@@H]2C[N@H+](C)CC3(CCN(C(=O)c4ccn(C)n4)CC3)O2)c1 ZINC000306130051 568766145 /nfs/dbraw/zinc/76/61/45/568766145.db2.gz IVBZLQJIFCXLNC-IBGZPJMESA-N 1 0 427.505 1.373 40 0 IDABRO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CC[N@H+](Cc3ccc(F)cc3)C2)cs1 ZINC000306135418 568769059 /nfs/dbraw/zinc/76/90/59/568769059.db2.gz OQCKTFLHNDCUJC-OAQYLSRUSA-N 1 0 427.505 1.905 40 0 IDABRO CCOC(=O)CN1c2ccccc2[C@@]2([NH2+][C@@H](C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O ZINC000100166530 568842726 /nfs/dbraw/zinc/84/27/26/568842726.db2.gz RXSJDMJKDUSMSN-NKARXJIESA-N 1 0 447.491 1.585 40 0 IDABRO CCOc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)cn[nH+]3)CC2)cc1 ZINC000224324448 568918383 /nfs/dbraw/zinc/91/83/83/568918383.db2.gz GKSJCRUKHTYPLU-UHFFFAOYSA-N 1 0 433.534 1.223 40 0 IDABRO O=c1ccc2ncc(=O)n3c2n1C[C@@H]3CN1CCC([NH2+]Cc2cc3c(cn2)OCCC3)CC1 ZINC000223227887 569177373 /nfs/dbraw/zinc/17/73/73/569177373.db2.gz PZFAZQUREQIODZ-IBGZPJMESA-N 1 0 448.527 1.087 40 0 IDABRO CC[C@]12C=CC[N@@H+]3CC[C@]4(c5ccc(OC)cc5N[C@@H]4[C@](O)(C(=O)OC)[C@H]1OC(C)=O)[C@H]32 ZINC000245229705 569205256 /nfs/dbraw/zinc/20/52/56/569205256.db2.gz DMQBJQRBCCUDSL-QDARVCMOSA-N 1 0 442.512 1.617 40 0 IDABRO C[C@@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1cn(CC(=O)NC[C@H]2CCCO2)c2ccccc12 ZINC000249700060 569207735 /nfs/dbraw/zinc/20/77/35/569207735.db2.gz XFNASZKKNLWFAK-CWJKEVGVSA-N 1 0 426.561 1.576 40 0 IDABRO C[C@H](C(=O)NCCC[NH+]1CCCCC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000010279806 569222085 /nfs/dbraw/zinc/22/20/85/569222085.db2.gz OPNCDLRKRSEPGJ-MRXNPFEDSA-N 1 0 425.551 1.605 40 0 IDABRO O=C([C@@H]1CCCO1)N1CCC[C@@H](N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)C1 ZINC000019699876 569230838 /nfs/dbraw/zinc/23/08/38/569230838.db2.gz KPRUKWZIOZFJHS-UXHICEINSA-N 1 0 440.544 1.743 40 0 IDABRO CS(=O)(=O)N1CCC[C@H](N2C(=O)NC3(CC[NH+](CCc4ccccc4)CC3)C2=O)C1 ZINC000019699965 569231038 /nfs/dbraw/zinc/23/10/38/569231038.db2.gz UUMHIYTWBNEHBB-SFHVURJKSA-N 1 0 434.562 1.040 40 0 IDABRO CCC[NH+]1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)c3cnc(C)cn3)CC1)C2=O ZINC000019700671 569231155 /nfs/dbraw/zinc/23/11/55/569231155.db2.gz IYGKEANGGYPERP-UHFFFAOYSA-N 1 0 428.537 1.434 40 0 IDABRO Cn1cc2c(n1)[C@@H](C(=O)NCCc1c[nH]c3ccc(F)cc13)CN(C(=O)C[NH+](C)C)C2 ZINC000019701253 569231353 /nfs/dbraw/zinc/23/13/53/569231353.db2.gz QCEMYIPWRARRDO-SFHVURJKSA-N 1 0 426.496 1.387 40 0 IDABRO CN(CCO)C(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)C[NH+]2CCCCC2)CCO1 ZINC000019702946 569232549 /nfs/dbraw/zinc/23/25/49/569232549.db2.gz GSOYFBYFXUKCHU-QGZVFWFLSA-N 1 0 446.573 1.746 40 0 IDABRO CN(C)c1cc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019760361 569237711 /nfs/dbraw/zinc/23/77/11/569237711.db2.gz UIJLEMZLNYAUBN-INIZCTEOSA-N 1 0 433.534 1.559 40 0 IDABRO CC(C)[N@@H+]1CC[C@@H]2[C@H]1C(=O)NC[C@H](CCC(=O)N1CCN(c3ccccc3)CC1)N2C ZINC000035442443 519688755 /nfs/dbraw/zinc/68/87/55/519688755.db2.gz BVXUZVKDYZLQIW-XJUOHMSHSA-N 1 0 427.593 1.397 40 0 biogenic,in-vitro IDABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccn3)CC2)=[NH+][C@H]1c1ccc(F)cc1 ZINC000020801334 521093595 /nfs/dbraw/zinc/09/35/95/521093595.db2.gz UFCFSQHKQPUTPT-OALUTQOASA-N 1 0 425.464 1.749 40 0 IDABRO COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CC[N@@H+]3C3CCOCC3)N2C)cc1 ZINC000035442414 524048380 /nfs/dbraw/zinc/04/83/80/524048380.db2.gz DEHYVHWLVUOPJN-WPYKKVEZSA-N 1 0 444.576 1.144 40 0 biogenic,in-vitro IDABRO COc1ccc(CNC(=O)CC[C@@H]2CNC(=O)[C@@H]3C[C@H]([NH2+]Cc4ccccc4)CN32)cc1 ZINC000035442268 524048549 /nfs/dbraw/zinc/04/85/49/524048549.db2.gz FLHFJTFDNLYYJG-XJUOHMSHSA-N 1 0 436.556 1.823 40 0 biogenic,in-vitro IDABRO CSCC[C@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]12 ZINC000015973369 525600133 /nfs/dbraw/zinc/60/01/33/525600133.db2.gz RHYOENXZKCWYKI-COXOKUMDSA-N 1 0 449.960 1.993 40 0 IDABRO COc1c2c(cc3c1C=[N+](N1CCc4cc5c(c(OC)c4[C@H]1O)OCO5)CC3)OCO2 ZINC000002037186 555728386 /nfs/dbraw/zinc/72/83/86/555728386.db2.gz UOMFYMHHTALLMB-JOCHJYFZSA-N 1 0 427.433 1.613 40 0 IDABRO CN1CCC([N@@H+]2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)NCc2ccc(F)cc2)N3C)CC1 ZINC000022922794 556341297 /nfs/dbraw/zinc/34/12/97/556341297.db2.gz NYCKATYKMNRHMG-XJUOHMSHSA-N 1 0 445.583 1.189 40 0 biogenic,in-vitro IDABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)C1 ZINC000030861817 556511329 /nfs/dbraw/zinc/51/13/29/556511329.db2.gz FMUMBLCYBFHAJI-OALUTQOASA-N 1 0 437.606 1.946 40 0 IDABRO COc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+](C)C)c2ccc(C)cc2)cc1OC ZINC000013647272 556544164 /nfs/dbraw/zinc/54/41/64/556544164.db2.gz NZXULRZDRHLOAL-UHFFFAOYSA-N 1 0 435.546 1.885 40 0 IDABRO COc1ccc(S(=O)(=O)NCCC[NH+]2CCCCCC2)cc1C(=O)N1CCOCC1 ZINC000013668750 556549231 /nfs/dbraw/zinc/54/92/31/556549231.db2.gz RGFFBDZQRLYFRL-UHFFFAOYSA-N 1 0 439.578 1.712 40 0 IDABRO CC(C)c1ccc2c(c1)OCC[C@@H]1CC[C@H](O)[C@@H](CNC(=O)[C@@H]3C[C@@H](C[NH2+]3)NC2=O)O1 ZINC000514287438 556624283 /nfs/dbraw/zinc/62/42/83/556624283.db2.gz CATQCMLAAWSLQD-HKWIXDGRSA-N 1 0 431.533 1.078 40 0 IDABRO COC(=O)c1cccc(C(=O)N2CC3(C2)C[N@H+](Cc2ccccc2)C[C@H]2C[C@@H](O)CN23)c1 ZINC000514288453 556624615 /nfs/dbraw/zinc/62/46/15/556624615.db2.gz AGMFNGGUXOBIJE-FGZHOGPDSA-N 1 0 435.524 1.619 40 0 biogenic,in-vitro IDABRO O=C(C[NH+]1CCCCCC1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C(=O)C1CC1)C2 ZINC000019014939 556692041 /nfs/dbraw/zinc/69/20/41/556692041.db2.gz PVPPGAIRRURJPV-FQEVSTJZSA-N 1 0 441.576 1.994 40 0 IDABRO Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)c(=O)n1C ZINC000019131675 556704386 /nfs/dbraw/zinc/70/43/86/556704386.db2.gz PVMINSODWYSLPI-IBGZPJMESA-N 1 0 425.533 1.911 40 0 IDABRO Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)c(=O)n1C ZINC000019131679 556704432 /nfs/dbraw/zinc/70/44/32/556704432.db2.gz PVMINSODWYSLPI-LJQANCHMSA-N 1 0 425.533 1.911 40 0 IDABRO CNc1cc(N2CCC[C@](O)(C[NH2+]Cc3ccc(OC)c(OCCOC)c3)C2)ncn1 ZINC000257248525 556711479 /nfs/dbraw/zinc/71/14/79/556711479.db2.gz JEAMJJJFTPQYOZ-QFIPXVFZSA-N 1 0 431.537 1.673 40 0 IDABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCN(Cc3cccc(CN4CCOCC4)c3)C2)CC1 ZINC000257264531 556712999 /nfs/dbraw/zinc/71/29/99/556712999.db2.gz LUVXQJNTLOLYKN-XMMPIXPASA-N 1 0 430.593 1.056 40 0 IDABRO CNc1cc(N2CCC[C@@](O)(C[NH2+]Cc3ccc(OCCOCCO)cc3)C2)ncn1 ZINC000257274639 556714070 /nfs/dbraw/zinc/71/40/70/556714070.db2.gz NLYJSXFVRLVTFZ-JOCHJYFZSA-N 1 0 431.537 1.027 40 0 IDABRO O=C(c1ccc(F)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN(CCO)CC1 ZINC000019372512 556749216 /nfs/dbraw/zinc/74/92/16/556749216.db2.gz GEMQBQGHFLCOLR-DHIUTWEWSA-N 1 0 439.531 1.893 40 0 IDABRO O=C(CN1CC2(CCC([NH+]3CCOCC3)CC2)Oc2ccccc2C1=O)N1CCOCC1 ZINC000019374594 556751117 /nfs/dbraw/zinc/75/11/17/556751117.db2.gz SLPLHJYMCLPQRH-UHFFFAOYSA-N 1 0 443.544 1.394 40 0 IDABRO C[C@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1Cc1cn(CC(=O)NC[C@@H]2CCCO2)c2ccccc12 ZINC000019576007 556814968 /nfs/dbraw/zinc/81/49/68/556814968.db2.gz XFNASZKKNLWFAK-KCLUMXDGSA-N 1 0 426.561 1.576 40 0 IDABRO Cc1c(C[N@@H+]2CCNC(=O)[C@@H](Cc3ccc(-c4ccccc4)cc3)C2)c(=O)n(C)c(=O)n1C ZINC000019577095 556815250 /nfs/dbraw/zinc/81/52/50/556815250.db2.gz ZYTHLCSBBKUKAA-QFIPXVFZSA-N 1 0 446.551 1.850 40 0 IDABRO CN(C)S(=O)(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019583669 556820936 /nfs/dbraw/zinc/82/09/36/556820936.db2.gz SLRUEWCPNPXBIH-AWEZNQCLSA-N 1 0 437.591 1.788 40 0 IDABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCN(C(=O)c3ccc4c(c3)OCCO4)C1)C2=O ZINC000019700766 556860174 /nfs/dbraw/zinc/86/01/74/556860174.db2.gz DZVUFJYRBRMWGS-QGZVFWFLSA-N 1 0 442.516 1.469 40 0 IDABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCN(C(=O)Cn3ccnc3C(C)C)C1)C2=O ZINC000019700744 556860206 /nfs/dbraw/zinc/86/02/06/556860206.db2.gz ISXDEAFMORCNRO-KRWDZBQOSA-N 1 0 430.553 1.404 40 0 IDABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCN(C(=O)c3ccc4c(c3)OCCO4)C1)C2=O ZINC000019700767 556860220 /nfs/dbraw/zinc/86/02/20/556860220.db2.gz DZVUFJYRBRMWGS-KRWDZBQOSA-N 1 0 442.516 1.469 40 0 IDABRO CCC[NH+]1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)c3cc(C4CC4)n[nH]3)CC1)C2=O ZINC000019700687 556860278 /nfs/dbraw/zinc/86/02/78/556860278.db2.gz MGGYTSKSRTUILF-UHFFFAOYSA-N 1 0 442.564 1.936 40 0 IDABRO CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)[C@H](C)C[NH+]1CCOCC1)CC2 ZINC000019711386 556875740 /nfs/dbraw/zinc/87/57/40/556875740.db2.gz QYGROEFACCYQJA-MRXNPFEDSA-N 1 0 444.580 1.097 40 0 IDABRO CC(C)[NH+]1CCC(NC(=O)c2ccc(=O)n(CC(=O)NCc3ccc(F)cc3)c2)CC1 ZINC000019750852 556894811 /nfs/dbraw/zinc/89/48/11/556894811.db2.gz MDLRWQIYXIVOKI-UHFFFAOYSA-N 1 0 428.508 1.906 40 0 IDABRO CC(C)[NH+]1CCC(NC(=O)Cn2cc(C(=O)NCc3ccc(F)cc3)ccc2=O)CC1 ZINC000019751337 556895206 /nfs/dbraw/zinc/89/52/06/556895206.db2.gz QJXAAGAGDSERNS-UHFFFAOYSA-N 1 0 428.508 1.906 40 0 IDABRO Cn1cc(C(=O)NCc2ccccc2)c(CC2CC[NH+](CC(=O)N3CCNC3=O)CC2)n1 ZINC000019756418 556900153 /nfs/dbraw/zinc/90/01/53/556900153.db2.gz ANESLBMVQBUAEV-UHFFFAOYSA-N 1 0 438.532 1.156 40 0 IDABRO Cn1cc(C(=O)NCc2ccccn2)c(CC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC000019759052 556902576 /nfs/dbraw/zinc/90/25/76/556902576.db2.gz DVQMOXBSIXZKCE-UHFFFAOYSA-N 1 0 438.576 1.868 40 0 IDABRO COCCNC(=O)c1cc([C@@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)nc2ccccc21 ZINC000019759361 556902896 /nfs/dbraw/zinc/90/28/96/556902896.db2.gz AXPOEMWXFPYJDC-NRFANRHFSA-N 1 0 426.517 1.607 40 0 IDABRO CN(CCO)C(=O)c1cc([C@H]2CN(C(=O)C[NH+]3CCCCC3)CCO2)nc2ccccc21 ZINC000019759412 556903033 /nfs/dbraw/zinc/90/30/33/556903033.db2.gz WTHSWKHSNAKMFV-JOCHJYFZSA-N 1 0 440.544 1.685 40 0 IDABRO O=C(NC[C@@H]1CCCO1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12COc1ccccc1C(=O)N2 ZINC000072334429 556907039 /nfs/dbraw/zinc/90/70/39/556907039.db2.gz ZHMMOKRGUCBQTB-OWHZGTRUSA-N 1 0 435.524 1.975 40 0 IDABRO CC(C)(C)NC(=O)[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2)C[C@]12Cc1ccccc1C(=O)N2 ZINC000072334481 556907164 /nfs/dbraw/zinc/90/71/64/556907164.db2.gz YWIIGFOOFJEYHX-WZOHSFFVSA-N 1 0 434.540 1.784 40 0 IDABRO COC(=O)[C@@]1(CC(=O)N2CCOCC2)C(=O)C[C@@H]2CC[C@H]1[N@H+]2Cc1cccc(OC)c1 ZINC000072340219 556912017 /nfs/dbraw/zinc/91/20/17/556912017.db2.gz ZDWOERGMCZMBSD-GEQKSPFYSA-N 1 0 430.501 1.409 40 0 IDABRO COc1ncc(C[N@@H+]2C[C@H](C(=O)NCCc3noc(C)n3)C3(C2)CCOCC3)cc1C ZINC000585101903 557035106 /nfs/dbraw/zinc/03/51/06/557035106.db2.gz IRLBTWLIFNVNAD-GOSISDBHSA-N 1 0 429.521 1.678 40 0 IDABRO CN(Cc1ncccn1)C(=O)[C@H]1C[N@H+](Cc2cccc(OCCO)c2)CC12CCOCC2 ZINC000585102006 557035495 /nfs/dbraw/zinc/03/54/95/557035495.db2.gz VXSIHCJEMWKEBQ-OAQYLSRUSA-N 1 0 440.544 1.735 40 0 IDABRO CN(Cc1ncccn1)C(=O)[C@@H]1C[N@H+](Cc2cccc(OCCO)c2)CC12CCOCC2 ZINC000585102005 557035773 /nfs/dbraw/zinc/03/57/73/557035773.db2.gz VXSIHCJEMWKEBQ-NRFANRHFSA-N 1 0 440.544 1.735 40 0 IDABRO C[C@@H](c1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1([NH2+][C@H]2CCC(N)=O)c2ccccc2NC1=O ZINC000103506636 557138392 /nfs/dbraw/zinc/13/83/92/557138392.db2.gz XKLVJEDXEYQMDS-IOYYBREXSA-N 1 0 432.480 1.434 40 0 IDABRO COc1ncccc1C[NH+]1CCC2(CC1)O[C@@H](C(=O)NC[C@@H]1CCCO1)Cn1ccnc12 ZINC000096243777 557187758 /nfs/dbraw/zinc/18/77/58/557187758.db2.gz HQOGRSZWJUJREE-RBUKOAKNSA-N 1 0 441.532 1.472 40 0 IDABRO Cn1cc(C[N@@H+]2C[C@@H]3CN(C(=O)N4CCCC4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 ZINC000096251506 557188941 /nfs/dbraw/zinc/18/89/41/557188941.db2.gz PBLBCDOWUXGGEK-OFNKIYASSA-N 1 0 444.580 1.009 40 0 IDABRO CC(C)NC(=O)N1CC[C@@H](c2nnc3ccc(C(=O)N4CCC([NH+](C)C)CC4)cn32)C1 ZINC000096267585 557193100 /nfs/dbraw/zinc/19/31/00/557193100.db2.gz MYWXHMJSZBAAQQ-MRXNPFEDSA-N 1 0 427.553 1.803 40 0 IDABRO O=C(COc1ccc(C[NH2+]C[C@]2(O)CCN(c3ccc(F)cn3)C2)cc1)N1CCOCC1 ZINC000585270434 557214254 /nfs/dbraw/zinc/21/42/54/557214254.db2.gz JUODSHWQGKCMLX-HSZRJFAPSA-N 1 0 444.507 1.189 40 0 IDABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccn3)CC2)=[NH+][C@@H]1c1ccc(OC)cc1 ZINC000010385687 557218626 /nfs/dbraw/zinc/21/86/26/557218626.db2.gz RHYJTRBEXXBVFB-VQTJNVASSA-N 1 0 437.500 1.619 40 0 IDABRO CN(C)C(=O)[C@H]1CN(S(C)(=O)=O)CC[N@H+](C[C@@]2(O)CC[C@H](c3ccccc3)CC2)C1 ZINC000585282324 557221642 /nfs/dbraw/zinc/22/16/42/557221642.db2.gz DMKSSUHGPHNCJQ-SJBKTWHCSA-N 1 0 437.606 1.357 40 0 IDABRO CCOC(=O)N1CCC([N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)CC1 ZINC000585283028 557222296 /nfs/dbraw/zinc/22/22/96/557222296.db2.gz OSTWIYQQDYGELV-QHCPKHFHSA-N 1 0 433.549 1.890 40 0 IDABRO CCOC(=O)N1CCC(O)(C[N@@H+]2CCOC[C@@](O)(COc3cc(F)cc(F)c3)C2)CC1 ZINC000585283202 557222739 /nfs/dbraw/zinc/22/27/39/557222739.db2.gz QZYPKRZCMHPBDQ-OAQYLSRUSA-N 1 0 444.475 1.390 40 0 IDABRO Cc1cccc(N2CCC(O)(C[N@@H+]3C[C@@H]4OCC(=O)N(C5CCOCC5)[C@H]4C3)CC2)c1 ZINC000585284687 557224139 /nfs/dbraw/zinc/22/41/39/557224139.db2.gz VEXZADPCQRZZDC-VXKWHMMOSA-N 1 0 429.561 1.417 40 0 IDABRO CCOC(=O)N1CCC(O)(C[N@@H+]2[C@@H](CNC(C)=O)C[C@]3(C)[C@H]2CCCC[C@]3(C)O)CC1 ZINC000585285070 557225005 /nfs/dbraw/zinc/22/50/05/557225005.db2.gz VTWBTODYQNHUCY-CZAYHTPWSA-N 1 0 439.597 1.880 40 0 IDABRO C[N@H+](C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O)CC12CC3CC(CC(C3)C1)C2 ZINC000585290757 557227880 /nfs/dbraw/zinc/22/78/80/557227880.db2.gz DRWQLAKSHRMRQL-YPRJBKHQSA-N 1 0 434.602 1.931 40 0 IDABRO O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]Cc2nc3cc(Cl)ccc3[nH]2)C1 ZINC000585290823 557228374 /nfs/dbraw/zinc/22/83/74/557228374.db2.gz FZPIHERZHCOGIS-MJGOQNOKSA-N 1 0 436.921 1.102 40 0 IDABRO COc1ccc(C[NH2+]C[C@]2(O)CN(C(=O)Cc3ccc(Cl)cc3)C[C@H]2O)c(OC)c1 ZINC000585291885 557228986 /nfs/dbraw/zinc/22/89/86/557228986.db2.gz UXHGJYXKSLNHKM-IRLDBZIGSA-N 1 0 434.920 1.624 40 0 IDABRO COc1cc(C[NH2+]C[C@]2(O)CN(C(=O)CCc3ccccc3)C[C@H]2O)cc(OC)c1OC ZINC000585292001 557229893 /nfs/dbraw/zinc/22/98/93/557229893.db2.gz WNMUZKBGCHTVPI-QPPBQGQZSA-N 1 0 444.528 1.369 40 0 IDABRO O=C(C[C@@H]1C[C@H]2O[C@H](C[NH2+]Cc3ccncc3F)[C@@H](O)[C@H]2O1)NCc1ccc(F)cc1 ZINC000604380990 557236247 /nfs/dbraw/zinc/23/62/47/557236247.db2.gz AHEVTKVNQUONTD-ZNSCVOQBSA-N 1 0 433.455 1.442 40 0 biogenic,in-vitro IDABRO C[NH+](C)CC(=O)N1CCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@@H+](C1CCOCC1)CC3 ZINC000100234231 557252376 /nfs/dbraw/zinc/25/23/76/557252376.db2.gz SJQNCEIQYUKNBQ-LJQANCHMSA-N 1 0 428.537 1.197 40 0 IDABRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)CC1 ZINC000113948484 557380773 /nfs/dbraw/zinc/38/07/73/557380773.db2.gz URFBNSYYQCMCIY-FQEVSTJZSA-N 1 0 430.530 1.604 40 0 IDABRO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCN(S(C)(=O)=O)c4ccccc4O3)cc2)CC1 ZINC000222750755 557382910 /nfs/dbraw/zinc/38/29/10/557382910.db2.gz MAQJDAVFBWQDCX-NRFANRHFSA-N 1 0 444.557 1.994 40 0 IDABRO CCOC(=O)C1=C(O)NC(N2CCN(C(=O)OCC)CC2)=[NH+][C@H]1c1cccc(Cl)c1 ZINC000013640115 557384804 /nfs/dbraw/zinc/38/48/04/557384804.db2.gz TWBGQHGVDRMKGX-CVEARBPZSA-N 1 0 436.896 1.820 40 0 IDABRO O=C1Nc2ccccc2[C@@]12[NH2+][C@@H](Cc1ccccc1)[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]12 ZINC000016026497 557469084 /nfs/dbraw/zinc/46/90/84/557469084.db2.gz QWTPFGWYUWQUJX-XDDGOCGTSA-N 1 0 431.492 1.829 40 0 IDABRO CCOC(=O)[C@@H]1C([O-])=NC(N2CC[NH+](CC)CC2)=[NH+][C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000019647362 557505348 /nfs/dbraw/zinc/50/53/48/557505348.db2.gz TZXOVXPHTKPZIC-ROUUACIJSA-N 1 0 448.520 1.056 40 0 IDABRO C[NH+]1CCN(c2ccc(NC(=O)CN(Cc3ccccc3F)S(C)(=O)=O)cc2)CC1 ZINC000225476989 557727309 /nfs/dbraw/zinc/72/73/09/557727309.db2.gz CGVJPKIOKLQKAV-UHFFFAOYSA-N 1 0 434.537 1.978 40 0 IDABRO C[NH+](C)CCOc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2ccccc2F)cn1 ZINC000225922906 557792759 /nfs/dbraw/zinc/79/27/59/557792759.db2.gz IDIZZXLTOJYGHY-UHFFFAOYSA-N 1 0 438.525 1.998 40 0 IDABRO CC(C)NC(=O)N1CCC[C@@H](O)[C@H](NC(=O)c2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000015672140 560230314 /nfs/dbraw/zinc/23/03/14/560230314.db2.gz JKVSLYWMSCRINH-NHCUHLMSSA-N 1 0 432.565 1.834 40 0 biogenic,in-vitro IDABRO Cc1cc(N2CCN([C@H]3C[NH2+][C@@H](C(=O)N4CCSC4)C3)CC2)n(-c2ccccc2)n1 ZINC000095561221 563182341 /nfs/dbraw/zinc/18/23/41/563182341.db2.gz WGRQANOPCQRCME-WOJBJXKFSA-N 1 0 426.590 1.566 40 0 IDABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCN(Cc3ccc(OCCn4cccn4)cc3)C2)CC1 ZINC000585269999 568616780 /nfs/dbraw/zinc/61/67/80/568616780.db2.gz AIFUZQQJURRMDF-DEOSSOPVSA-N 1 0 441.576 1.499 40 0 IDABRO COc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc(OCC(=O)N3CCOCC3)cc2)cc1 ZINC000585270268 568616903 /nfs/dbraw/zinc/61/69/03/568616903.db2.gz SHCPLMIBXINTHT-HXUWFJFHSA-N 1 0 444.528 1.805 40 0 IDABRO Cc1cc(N2CC[C@](O)(C[NH2+]Cc3ccc(OCCN4CCOCC4)cc3)C2)ncn1 ZINC000585274386 568618445 /nfs/dbraw/zinc/61/84/45/568618445.db2.gz VUXLPYAVQUCMSB-QHCPKHFHSA-N 1 0 427.549 1.227 40 0 IDABRO COc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2N2CCOCC2)cc1 ZINC000257202740 568666491 /nfs/dbraw/zinc/66/64/91/568666491.db2.gz ANEMVVGGVOXADA-CZYKHXBRSA-N 1 0 430.476 1.846 40 0 IDABRO O=C(CN1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1)Nc1ccccc1N1CCOCC1 ZINC000257220525 568674782 /nfs/dbraw/zinc/67/47/82/568674782.db2.gz DLCUXXYOXRFXOW-OAQYLSRUSA-N 1 0 438.519 1.630 40 0 IDABRO Cc1ccc2nccc(N3CC[C@@](O)(CN(C)C(=O)c4ccc(OCC[NH3+])cc4)C3)c2n1 ZINC000257225038 568676303 /nfs/dbraw/zinc/67/63/03/568676303.db2.gz FENUVDLJVGZONV-XMMPIXPASA-N 1 0 435.528 1.989 40 0 IDABRO Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3cccc(OCC[NH3+])c3)C2)c2cnccc2n1 ZINC000257278099 568701345 /nfs/dbraw/zinc/70/13/45/568701345.db2.gz OAUFLALJYWHRDY-DEOSSOPVSA-N 1 0 435.528 1.989 40 0 IDABRO Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccc(OCC[NH+]4CCCC4)cc3)C2)ncn1 ZINC000257296061 568709633 /nfs/dbraw/zinc/70/96/33/568709633.db2.gz RBBNIASKPBUOCY-XMMPIXPASA-N 1 0 439.560 1.973 40 0 IDABRO Cn1cnc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H]([NH+]3CCN(C)CC3)CC2)c1 ZINC000257325401 568722532 /nfs/dbraw/zinc/72/25/32/568722532.db2.gz WSUNGZABABQXLD-FIXSFTCYSA-N 1 0 425.577 1.639 40 0 IDABRO COc1ccc(C[N@@H+]2CC[C@@]3(CCn4c3nn(Cc3csc(C)n3)c(=O)c4=O)C2)cc1 ZINC000306123984 568763049 /nfs/dbraw/zinc/76/30/49/568763049.db2.gz BCFLDSSVRSZCIE-JOCHJYFZSA-N 1 0 439.541 1.774 40 0 IDABRO Cn1nccc1C(=O)N1CCC2(CC1)C[N@H+](C)C[C@H](C(=O)NCc1ccc(F)cc1)O2 ZINC000306126735 568764511 /nfs/dbraw/zinc/76/45/11/568764511.db2.gz FDSJNNJHHOORFA-LJQANCHMSA-N 1 0 429.496 1.181 40 0 IDABRO CN(C)C(=O)C[NH+]1CCC2(Cc3nc4c(c(=O)n3C2)CN(C(=O)c2ccccc2)CC4)CC1 ZINC000306127328 568764701 /nfs/dbraw/zinc/76/47/01/568764701.db2.gz FVVUAEQPTWVPRL-UHFFFAOYSA-N 1 0 449.555 1.168 40 0 IDABRO COc1ccccc1C[N@@H+]1CC[C@@]2(CCn3c2nn(Cc2csc(C)n2)c(=O)c3=O)C1 ZINC000306130942 568766484 /nfs/dbraw/zinc/76/64/84/568766484.db2.gz JSZGQWHECQQSGO-JOCHJYFZSA-N 1 0 439.541 1.774 40 0 IDABRO Cc1noc(C)c1C[NH+]1CCC2(CCn3c2nc2c(c3=O)CN(S(C)(=O)=O)CC2)CC1 ZINC000306133287 568767624 /nfs/dbraw/zinc/76/76/24/568767624.db2.gz MHQGKTCEJPKXLU-UHFFFAOYSA-N 1 0 447.561 1.103 40 0 IDABRO Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2C[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]32)cc1 ZINC000306141158 568771926 /nfs/dbraw/zinc/77/19/26/568771926.db2.gz VMTFRXJMPOIACG-OALUTQOASA-N 1 0 432.480 1.720 40 0 IDABRO CN1CCn2c(C(=O)N3CCOCC3)nnc2C12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000306143640 568773431 /nfs/dbraw/zinc/77/34/31/568773431.db2.gz YHNIQGCEICKXLR-UHFFFAOYSA-N 1 0 428.512 1.326 40 0 IDABRO CC[NH+](CC)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(OC)ccc1OC ZINC000575420775 568863000 /nfs/dbraw/zinc/86/30/00/568863000.db2.gz DYHZCFFQAOOYRC-MRXNPFEDSA-N 1 0 448.607 1.614 40 0 IDABRO Cc1cc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)cn[nH+]3)CC2)cc1C ZINC000224325332 568918665 /nfs/dbraw/zinc/91/86/65/568918665.db2.gz VBIACCUSLZPMRK-UHFFFAOYSA-N 1 0 431.562 1.749 40 0 IDABRO O=C(CCc1nc2ccccc2c(=O)[nH]1)NCC[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000524731560 569188626 /nfs/dbraw/zinc/18/86/26/569188626.db2.gz BSQQUWMOHZIHOC-DLBZAZTESA-N 1 0 433.512 1.665 40 0 IDABRO CCS(=O)(=O)N1CCC[C@@H](N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)C1 ZINC000019699399 569230464 /nfs/dbraw/zinc/23/04/64/569230464.db2.gz HBHNNYZOADDLAM-GOSISDBHSA-N 1 0 434.562 1.387 40 0 IDABRO O=C([C@H]1CCCO1)N1CCC[C@H](N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)C1 ZINC000019699879 569230878 /nfs/dbraw/zinc/23/08/78/569230878.db2.gz KPRUKWZIOZFJHS-VQTJNVASSA-N 1 0 440.544 1.743 40 0 IDABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)COc3ccccc3)C1)C2=O ZINC000019699977 569231000 /nfs/dbraw/zinc/23/10/00/569231000.db2.gz OFIBPAOPCVBLNR-SFHVURJKSA-N 1 0 428.533 1.853 40 0 IDABRO CNc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)nc([C@H]2CCC[NH2+]C2)n1 ZINC000019709584 569234698 /nfs/dbraw/zinc/23/46/98/569234698.db2.gz GEOWKFUZESYIFP-HNNXBMFYSA-N 1 0 444.561 1.691 40 0 IDABRO CNc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000019709583 569234775 /nfs/dbraw/zinc/23/47/75/569234775.db2.gz GEOWKFUZESYIFP-OAHLLOKOSA-N 1 0 444.561 1.691 40 0 IDABRO CC(=O)N1CCC([N@@H+]2CCN3[C@H](CN(S(=O)(=O)c4ccccc4)CC3(C)C)C2)CC1 ZINC000253398747 291319700 /nfs/dbraw/zinc/31/97/00/291319700.db2.gz HKADITUSHXXALY-FQEVSTJZSA-N 1 0 434.606 1.467 40 0 biogenic,in-vitro IDABRO O=C(N[C@H]1CCN2C(=O)c3cc(Br)ccc3NC(=O)[C@@H]2C1)C1CC[NH2+]CC1 ZINC000003840478 291327714 /nfs/dbraw/zinc/32/77/14/291327714.db2.gz MEGOUYZPXWWEED-BBRMVZONSA-N 1 0 435.322 1.490 40 0 biogenic,in-vitro IDABRO CCOC(=O)C[C@@H]1CCN(C(=O)Cc2ccccc2)C[C@@H]1CC[N@@H+]1CCC[C@H]1C(N)=O ZINC000020462798 520853458 /nfs/dbraw/zinc/85/34/58/520853458.db2.gz TYSRCCUVCIPABN-ACRUOGEOSA-N 1 0 429.561 1.987 40 0 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IDABRO COCCn1nccc1C(=O)NC[C@@H]1CCC2(CC[NH+](Cc3nccn3C)CC2)CO1 ZINC000585101162 557034786 /nfs/dbraw/zinc/03/47/86/557034786.db2.gz KLVDUFAEMVURTA-SFHVURJKSA-N 1 0 430.553 1.454 40 0 IDABRO Cc1cnc(CNC(=O)[C@@H]2C[N@H+](Cc3cccc(OCCO)c3)CC23CCOCC3)nc1 ZINC000585101863 557035227 /nfs/dbraw/zinc/03/52/27/557035227.db2.gz HEFQZIKSPZJZOZ-NRFANRHFSA-N 1 0 440.544 1.701 40 0 IDABRO COc1ccc(S(=O)(=O)NCCCN2CC[NH+](C)CC2)cc1C(=O)N1CCCCC1 ZINC000022933896 557051708 /nfs/dbraw/zinc/05/17/08/557051708.db2.gz FUSGEJWMUIITOJ-UHFFFAOYSA-N 1 0 438.594 1.237 40 0 IDABRO CC[NH+](CC)CCCNC(=S)N(CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000006193104 557148054 /nfs/dbraw/zinc/14/80/54/557148054.db2.gz RENLYIGVONPEEV-UHFFFAOYSA-N 1 0 448.589 1.700 40 0 IDABRO COC(=O)C[C@]12C(=O)NCC[N@H+]1[C@@H](c1ccc(C)cc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000216598241 557148933 /nfs/dbraw/zinc/14/89/33/557148933.db2.gz PQMKZDYILXCIJA-HSGJQSDISA-N 1 0 447.491 1.589 40 0 IDABRO CNC(=O)CN1CC2(CC[NH+](Cc3ccco3)CC2)COc2ccccc2S1(=O)=O ZINC000096037190 557164509 /nfs/dbraw/zinc/16/45/09/557164509.db2.gz AXCKQHYLUAENSS-UHFFFAOYSA-N 1 0 433.530 1.691 40 0 IDABRO COCC[N@@H+]1CC2(CCN(S(=O)(=O)c3cccc(C)c3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000096144272 557171742 /nfs/dbraw/zinc/17/17/42/557171742.db2.gz KWLFSROAYQHECO-QFIPXVFZSA-N 1 0 435.590 1.576 40 0 IDABRO CC(C)CN1Cc2c(C(=O)N3CC[C@@H]([NH+](C)C)C3)ncn2-c2ccccc2S1(=O)=O ZINC000096147380 557176908 /nfs/dbraw/zinc/17/69/08/557176908.db2.gz ZFFFVRDBTFJBHE-MRXNPFEDSA-N 1 0 431.562 1.809 40 0 IDABRO Cn1cc(-c2cnc(N3CCOCC3)nc2)cc1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000096147582 557177580 /nfs/dbraw/zinc/17/75/80/557177580.db2.gz AZXVZDGSSVVKKK-UHFFFAOYSA-N 1 0 433.516 1.676 40 0 IDABRO CC(C)c1ccc(S(=O)(=O)N2CC[C@]3(CC(C(=O)NCC[NH+]4CCCC4)=NO3)C2)cc1 ZINC000096225590 557184256 /nfs/dbraw/zinc/18/42/56/557184256.db2.gz NOYFLRMQDYDJFC-QFIPXVFZSA-N 1 0 448.589 1.932 40 0 IDABRO Cc1cccc(C[NH+]2CCC3(CC2)O[C@@H](C(=O)NC[C@H]2CCCO2)Cn2ccnc23)n1 ZINC000096243775 557187845 /nfs/dbraw/zinc/18/78/45/557187845.db2.gz CTOXFXLGOFBJQT-WOJBJXKFSA-N 1 0 425.533 1.772 40 0 IDABRO CCN1CC[C@]2(C[N@H+](CCOC)CC23CCN(S(=O)(=O)c2cccs2)CC3)C1=O ZINC000096262810 557190358 /nfs/dbraw/zinc/19/03/58/557190358.db2.gz VXBFGLMDBCAJSU-FQEVSTJZSA-N 1 0 441.619 1.720 40 0 IDABRO C[NH+](C)CCN1[C@H]2CCN(c3ncc(F)cn3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096263967 557191601 /nfs/dbraw/zinc/19/16/01/557191601.db2.gz KXWGEGMSTJJTMN-IRXDYDNUSA-N 1 0 435.525 1.598 40 0 IDABRO CC(C)NC(=O)N1CC[C@H](c2nnc3ccc(C(=O)N4CCC([NH+](C)C)CC4)cn32)C1 ZINC000096267584 557193201 /nfs/dbraw/zinc/19/32/01/557193201.db2.gz MYWXHMJSZBAAQQ-INIZCTEOSA-N 1 0 427.553 1.803 40 0 IDABRO COc1ccc(N(CC(=O)NCCC[NH+]2CCCCCC2)S(C)(=O)=O)c(OC)c1 ZINC000010111169 557203764 /nfs/dbraw/zinc/20/37/64/557203764.db2.gz RHRZHPCIYDUVAG-UHFFFAOYSA-N 1 0 427.567 1.852 40 0 IDABRO CCS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCCC1)c1ccc2c(c1)OCCO2 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/nfs/dbraw/zinc/23/02/80/557230280.db2.gz ZUECNDZRMXEHDU-YADHBBJMSA-N 1 0 431.558 1.133 40 0 IDABRO O=C(C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3Cc4ccccc4C3)[C@@H](O)[C@H]2O1)NCc1ccc(F)cc1 ZINC000604381790 557236515 /nfs/dbraw/zinc/23/65/15/557236515.db2.gz ONZWZZHIWWKCGE-YQSOIZMPSA-N 1 0 440.515 1.875 40 0 biogenic,in-vitro IDABRO CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000113936534 557379415 /nfs/dbraw/zinc/37/94/15/557379415.db2.gz AUVQMAZNSUECLR-UHFFFAOYSA-N 1 0 431.562 1.690 40 0 IDABRO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)N3CC[NH+](CC)CC3)cc2c1 ZINC000019973328 557511663 /nfs/dbraw/zinc/51/16/63/557511663.db2.gz SJAKSCMDWDORCP-FQEVSTJZSA-N 1 0 441.536 1.287 40 0 IDABRO CC[NH+]1CCN([C@@H](c2nnnn2C(C)(C)C)c2cc3cc4c(cc3[nH]c2=O)OCO4)CC1 ZINC000019973378 557511701 /nfs/dbraw/zinc/51/17/01/557511701.db2.gz BODHQKZWRCTZIK-LJQANCHMSA-N 1 0 439.520 1.725 40 0 IDABRO COC(=O)C[C@]12C(=O)NCC[N@H+]1[C@H](c1ccc(C)cc1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000019960831 557511719 /nfs/dbraw/zinc/51/17/19/557511719.db2.gz PQMKZDYILXCIJA-HULNYRCFSA-N 1 0 447.491 1.589 40 0 IDABRO CCOC(=O)[C@H]1C([O-])=NC(N2CC[NH+](CC)CC2)=[NH+][C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000054435628 557541429 /nfs/dbraw/zinc/54/14/29/557541429.db2.gz TZXOVXPHTKPZIC-MSOLQXFVSA-N 1 0 448.520 1.056 40 0 IDABRO COc1ccc(S(=O)(=O)N(C)CC(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000224056156 557552670 /nfs/dbraw/zinc/55/26/70/557552670.db2.gz QRVGJZDGTUWYLK-UHFFFAOYSA-N 1 0 431.558 1.880 40 0 IDABRO COCCNC(=S)NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCN(c2ccccc2)CC1 ZINC000008636247 565101520 /nfs/dbraw/zinc/10/15/20/565101520.db2.gz DFIGAIACRAZAFY-JAXLGGSGSA-N 1 0 431.650 1.630 40 0 biogenic,in-vitro IDABRO CN1CCN(C[C@]2(O)CC[N@H+](Cc3ccc(OCCCN4CCCC4=O)cc3)C2)CC1 ZINC000585270647 568617030 /nfs/dbraw/zinc/61/70/30/568617030.db2.gz OAKHALHNVQMWBG-XMMPIXPASA-N 1 0 430.593 1.262 40 0 IDABRO C[N@H+](Cc1ccc(OCCN2CCOCC2)cc1)C[C@@]1(O)CCN(c2ncccn2)C1 ZINC000585270793 568617216 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CCOC(=O)C1=C(O)NC(N2CCN(C(=O)OCC)CC2)=[NH+][C@H]1c1ccc(OC)cc1 ZINC000020636939 521280729 /nfs/dbraw/zinc/28/07/29/521280729.db2.gz AHZGAOYLXUFXBJ-SJORKVTESA-N 1 0 432.477 1.176 40 0 IDABRO COC[C@H]1CCC[N@@H+]1[C@H]1[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)O[C@@H](CO)[C@H]1O ZINC000020465285 522834757 /nfs/dbraw/zinc/83/47/57/522834757.db2.gz NYZLWUBNXZPBIS-DFBDCSAJSA-N 1 0 432.439 1.035 40 0 biogenic,in-vitro IDABRO C[N@H+](CCc1ccccn1)[C@H]1[C@@H](CNC(=O)Nc2cccc(Cl)c2)O[C@@H](CO)[C@H]1O ZINC000020465899 522965480 /nfs/dbraw/zinc/96/54/80/522965480.db2.gz QDOBHIQBNNACQA-FUMNGEBKSA-N 1 0 434.924 1.520 40 0 biogenic,in-vitro IDABRO COc1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)NCc2ccco2)[N@@H+]3C)cc1 ZINC000035442362 524037683 /nfs/dbraw/zinc/03/76/83/524037683.db2.gz RLKQHLQOIKYZHQ-ZEYPLWLESA-N 1 0 440.544 1.758 40 0 biogenic,in-vitro IDABRO COc1ccc(CNC(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc2cc(CN3CCOCC3)on2)cc1 ZINC000020504025 524054526 /nfs/dbraw/zinc/05/45/26/524054526.db2.gz IIVJNQQNIFHPMS-PMACEKPBSA-N 1 0 442.560 1.990 40 0 biogenic,in-vitro IDABRO COc1cccc([C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H](C(N)=O)C3)C[C@H]2c2csnn2)c1 ZINC000012163122 524120769 /nfs/dbraw/zinc/12/07/69/524120769.db2.gz OETLOGFGTYUCDC-BPQIPLTHSA-N 1 0 429.546 1.454 40 0 IDABRO OCc1ccc(CN[C@@H]2[C@H]3CO[C@H](O3)[C@H]([NH+]3CCC(Cc4ccccc4)CC3)[C@H]2O)o1 ZINC000012483435 527633033 /nfs/dbraw/zinc/63/30/33/527633033.db2.gz IPKUJUNCJHVHQN-ZSXJVMONSA-N 1 0 428.529 1.669 40 0 biogenic,in-vitro IDABRO O[C@@H](COC[C@@H]1COc2ccccc2O1)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022030652 527658685 /nfs/dbraw/zinc/65/86/85/527658685.db2.gz GUHDTWDLNKNVAW-WOJBJXKFSA-N 1 0 442.512 1.750 40 0 IDABRO C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc[n+](Cc2ccccc2)c1)C(N)=O ZINC000001611502 555705717 /nfs/dbraw/zinc/70/57/17/555705717.db2.gz KQTNXKRURVWGGU-PGRDOPGGSA-O 1 0 431.516 1.354 40 0 IDABRO Cc1ccc(S(=O)(=O)Nc2cc3c(cc2N2CC[NH+](C)CC2)n(C)c(=O)n3C)cc1 ZINC000408535917 555756867 /nfs/dbraw/zinc/75/68/67/555756867.db2.gz UQEFVMDAYHPUEF-UHFFFAOYSA-N 1 0 429.546 1.738 40 0 IDABRO COc1ccc(OC)c(N(CC(=O)NCC[NH+](C)C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000010111545 556325855 /nfs/dbraw/zinc/32/58/55/556325855.db2.gz CTCABFKNKFICNE-UHFFFAOYSA-N 1 0 435.546 1.885 40 0 IDABRO C[N@@H+]1[C@@H]2CCN(Cc3ccc(O)cc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccccc1 ZINC000022922978 556341250 /nfs/dbraw/zinc/34/12/50/556341250.db2.gz HXHXZVZAHNTHJV-FJIJXJHWSA-N 1 0 436.556 1.862 40 0 biogenic,in-vitro IDABRO COc1ccc(S(=O)(=O)NCCC[NH+]2CCCCC2)cc1C(=O)N1CCOCC1 ZINC000013646262 556543890 /nfs/dbraw/zinc/54/38/90/556543890.db2.gz QVAVMXBAGJCZMV-UHFFFAOYSA-N 1 0 425.551 1.322 40 0 IDABRO C[C@H](C(=O)NCCC[NH+]1CCC(C)CC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000013648506 556544769 /nfs/dbraw/zinc/54/47/69/556544769.db2.gz ASAAXWAXRCEPEK-QGZVFWFLSA-N 1 0 439.578 1.851 40 0 IDABRO C[C@@H](C(=O)NCCC[NH+]1CCC(C)CC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000013648510 556544816 /nfs/dbraw/zinc/54/48/16/556544816.db2.gz ASAAXWAXRCEPEK-KRWDZBQOSA-N 1 0 439.578 1.851 40 0 IDABRO CCS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCCC1)c1ccc2c(c1)OCO2 ZINC000013668306 556548942 /nfs/dbraw/zinc/54/89/42/556548942.db2.gz OFABUBIVHOQSIS-UHFFFAOYSA-N 1 0 425.551 1.954 40 0 IDABRO C[C@H]([NH2+][C@H]1CCS(=O)(=O)C1)C(=O)N(C)Cc1nc(C2CC2)ncc1-c1ccccn1 ZINC000019077460 556694949 /nfs/dbraw/zinc/69/49/49/556694949.db2.gz INQWAPWCJAPJKZ-HOCLYGCPSA-N 1 0 429.546 1.540 40 0 IDABRO O=C1CCCN1CCCOc1ccc(C[NH2+]C[C@]2(O)CCCN(c3ncccn3)C2)cc1 ZINC000257228380 556708901 /nfs/dbraw/zinc/70/89/01/556708901.db2.gz FTOURYDLFZORCM-XMMPIXPASA-N 1 0 439.560 1.989 40 0 IDABRO CNc1cc(N2CCC[C@@](O)(C[NH2+]Cc3ccc(OC)c(OCCOC)c3)C2)ncn1 ZINC000257248524 556711239 /nfs/dbraw/zinc/71/12/39/556711239.db2.gz JEAMJJJFTPQYOZ-JOCHJYFZSA-N 1 0 431.537 1.673 40 0 IDABRO O=C(C[NH+]1CCCC1)N[C@@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccc(F)cc1 ZINC000019332524 556737625 /nfs/dbraw/zinc/73/76/25/556737625.db2.gz YHOYQVWIKCDLKO-IBGZPJMESA-N 1 0 429.496 1.241 40 0 IDABRO CC(C)[NH+]1CCN(C(=O)CN2CC[C@@]3(CCC2=O)Nc2ccc(Cl)cc2C(=O)N3)CC1 ZINC000019447983 556757233 /nfs/dbraw/zinc/75/72/33/556757233.db2.gz BJUAIJPSJFYNGX-QFIPXVFZSA-N 1 0 447.967 1.757 40 0 IDABRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)CCc2ccncc2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019583338 556820787 /nfs/dbraw/zinc/82/07/87/556820787.db2.gz DBLLOCRTUDBPHQ-WOJBJXKFSA-N 1 0 444.605 1.621 40 0 IDABRO COc1cccc(CNC(=O)c2cnc([C@@H]3CCCN(C(=O)C[NH+](C)C)C3)nc2C)c1 ZINC000019763551 556908200 /nfs/dbraw/zinc/90/82/00/556908200.db2.gz YRFQNGGBPFDWHU-GOSISDBHSA-N 1 0 425.533 1.991 40 0 IDABRO Cc1nc([C@@H]2CCCCN2CC(=O)N2CCC([NH+]3CCCCC3)CC2)ncc1C(N)=O ZINC000019764503 556909071 /nfs/dbraw/zinc/90/90/71/556909071.db2.gz GLYAQLVCMVPTKY-FQEVSTJZSA-N 1 0 428.581 1.888 40 0 IDABRO COc1c(C[NH+]2CCC(c3ccc(C(=O)N4CCOCC4)c(N)n3)CC2)c(C)nn1C ZINC000019765807 556910748 /nfs/dbraw/zinc/91/07/48/556910748.db2.gz DPQJKSPPEAFKTI-UHFFFAOYSA-N 1 0 428.537 1.566 40 0 IDABRO CC(=O)N1CCC[C@H](c2ccccc2CC2(C(N)=O)CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000072380177 556957947 /nfs/dbraw/zinc/95/79/47/556957947.db2.gz HLYTVLJNVNGDJM-FQEVSTJZSA-N 1 0 428.577 1.611 40 0 IDABRO Cc1cnc(CNC(=O)[C@H]2C[N@H+](Cc3cccc(OCCO)c3)CC23CCOCC3)nc1 ZINC000585101866 557035136 /nfs/dbraw/zinc/03/51/36/557035136.db2.gz HEFQZIKSPZJZOZ-OAQYLSRUSA-N 1 0 440.544 1.701 40 0 IDABRO O=C(NCC(F)(F)F)[C@@H]1C[N@H+](Cc2ccnc(N3CCOCC3)c2)CC12CCOCC2 ZINC000585101808 557035138 /nfs/dbraw/zinc/03/51/38/557035138.db2.gz ANGWQEMCCDPBLL-KRWDZBQOSA-N 1 0 442.482 1.825 40 0 IDABRO Cc1nc(CCNC(=O)[C@@H]2C[N@H+](Cc3cccc(OCCO)c3)CC23CCOCC3)no1 ZINC000585102021 557035737 /nfs/dbraw/zinc/03/57/37/557035737.db2.gz ZHIZAPQGIOMRGH-FQEVSTJZSA-N 1 0 444.532 1.337 40 0 IDABRO Cc1noc(C)c1C(=O)N1CCO[C@]2(C1)C(=O)N(CC[NH+](C)C)C[C@@H]2c1ccccc1 ZINC000585107002 557041496 /nfs/dbraw/zinc/04/14/96/557041496.db2.gz NONIVOJFEUNZHJ-XXBNENTESA-N 1 0 426.517 1.690 40 0 IDABRO C[NH+]1CCN(CCCNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)CC1 ZINC000022933448 557051028 /nfs/dbraw/zinc/05/10/28/557051028.db2.gz ICMMWUUBEUXCNM-UHFFFAOYSA-N 1 0 437.393 1.513 40 0 IDABRO CN(C)C(=O)c1sc2nccnc2c1[C@H]1CC[N@@H+](C2CCN(S(C)(=O)=O)CC2)C1 ZINC000585182356 557138513 /nfs/dbraw/zinc/13/85/13/557138513.db2.gz DVCYTDDHRIZQPM-ZDUSSCGKSA-N 1 0 437.591 1.606 40 0 IDABRO CC[NH+](CC)CCNC(=O)c1ccc2nnc([C@H]3CN(c4ncccn4)CCN3C)n2c1 ZINC000096156699 557181831 /nfs/dbraw/zinc/18/18/31/557181831.db2.gz UIGCCBWAKWKBAJ-GOSISDBHSA-N 1 0 437.552 1.084 40 0 IDABRO COc1ncccc1C[NH+]1CCC2(CC1)O[C@H](C(=O)NC[C@@H]1CCCO1)Cn1ccnc12 ZINC000096243778 557187881 /nfs/dbraw/zinc/18/78/81/557187881.db2.gz HQOGRSZWJUJREE-OALUTQOASA-N 1 0 441.532 1.472 40 0 IDABRO COc1ncccc1C[NH+]1CCC2(CC1)O[C@@H](C(=O)NC[C@H]1CCCO1)Cn1ccnc12 ZINC000096243779 557187927 /nfs/dbraw/zinc/18/79/27/557187927.db2.gz HQOGRSZWJUJREE-RTBURBONSA-N 1 0 441.532 1.472 40 0 IDABRO COc1cccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(OCC(=O)N3CCOCC3)cc2)c1 ZINC000585269797 557213797 /nfs/dbraw/zinc/21/37/97/557213797.db2.gz KDUMQNVLMNQFPO-FQEVSTJZSA-N 1 0 444.528 1.805 40 0 IDABRO COCC(=O)N1CC[N@H+](CC2(O)CCCCC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585282157 557221651 /nfs/dbraw/zinc/22/16/51/557221651.db2.gz HPUSYWZFSSVRMF-XMMPIXPASA-N 1 0 434.577 1.899 40 0 IDABRO CCOC(=O)N1CCC(O)(C[NH2+]C[C@@]2(O)CCN(c3ccnc4cccnc43)C2)CC1 ZINC000585282815 557222042 /nfs/dbraw/zinc/22/20/42/557222042.db2.gz IABIGAPBNUBBMY-QFIPXVFZSA-N 1 0 429.521 1.144 40 0 IDABRO COc1cc(C[NH2+]C[C@@]2(O)CN(C(=O)CCc3ccccc3)CC[C@@H]2O)cc(OC)c1 ZINC000585283272 557222726 /nfs/dbraw/zinc/22/27/26/557222726.db2.gz DVJAEVKMMKYQMY-LADGPHEKSA-N 1 0 428.529 1.751 40 0 IDABRO COCC(=O)N1CC[N@H+](CC2(O)CCCC2)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585284735 557224606 /nfs/dbraw/zinc/22/46/06/557224606.db2.gz ZMTBPDQXJBOLPO-OAQYLSRUSA-N 1 0 428.476 1.170 40 0 IDABRO C[N@H+](Cc1cccc2ncccc12)C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O ZINC000585290805 557228286 /nfs/dbraw/zinc/22/82/86/557228286.db2.gz FXEWWJORYCAPOF-YADHBBJMSA-N 1 0 427.526 1.463 40 0 IDABRO O=C(C[C@H]1C[C@H]2O[C@H](C[NH2+]Cc3cnccc3Cl)[C@@H](O)[C@H]2O1)NCc1ccc(F)cc1 ZINC000604381656 557236357 /nfs/dbraw/zinc/23/63/57/557236357.db2.gz JPTLQBBHSBSQBD-NLXHMFRLSA-N 1 0 449.910 1.956 40 0 biogenic,in-vitro IDABRO COc1ccc(CNC(=O)C[C@@H]2C[C@H]3O[C@H](C[NH2+]Cc4ncccc4C)[C@@H](O)[C@H]3O2)cc1 ZINC000604381849 557236439 /nfs/dbraw/zinc/23/64/39/557236439.db2.gz RLTYBJVUWUOSDV-ZQDRWKGSSA-N 1 0 441.528 1.481 40 0 biogenic,in-vitro IDABRO COc1ccccc1C[NH2+]C[C@H]1O[C@@H]2C[C@@H](CC(=O)NCc3ccc(F)cc3)O[C@@H]2[C@@H]1O ZINC000604381969 557236856 /nfs/dbraw/zinc/23/68/56/557236856.db2.gz XCXSIFHATKOLSA-ZQDRWKGSSA-N 1 0 444.503 1.916 40 0 biogenic,in-vitro IDABRO C[NH+](C)CC(=O)N1CCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@@H+](C1CCOCC1)CC3 ZINC000100234233 557252285 /nfs/dbraw/zinc/25/22/85/557252285.db2.gz SJQNCEIQYUKNBQ-IBGZPJMESA-N 1 0 428.537 1.197 40 0 IDABRO CCOC(=O)C1=C(O)NC(N2CCN(C(=O)OCC)CC2)=[NH+][C@@H]1c1cccc(Cl)c1 ZINC000013640111 557384875 /nfs/dbraw/zinc/38/48/75/557384875.db2.gz TWBGQHGVDRMKGX-HZPDHXFCSA-N 1 0 436.896 1.820 40 0 IDABRO CCC[NH+]1CCN([C@@H](c2nnnn2CCOC)c2cc3c(C)cc(C)cc3[nH]c2=O)CC1 ZINC000019503405 557500346 /nfs/dbraw/zinc/50/03/46/557500346.db2.gz DEEXNOSHTUZNBI-OAQYLSRUSA-N 1 0 439.564 1.895 40 0 IDABRO CCOC(=O)N1CCC(O)(C[N@@H+]2CCOC[C@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585287786 568619427 /nfs/dbraw/zinc/61/94/27/568619427.db2.gz ROQHHAMOWZEZJT-NRFANRHFSA-N 1 0 426.485 1.251 40 0 IDABRO CN(C(=O)OC(C)(C)C)[C@@H]1C[C@@H](O)[C@](O)(C[NH+]2CCN(c3ccccc3)CC2)[C@@H](O)C1 ZINC000257204366 568667291 /nfs/dbraw/zinc/66/72/91/568667291.db2.gz AUFGTEUXVBYDCJ-CFXOPZKNSA-N 1 0 435.565 1.291 40 0 IDABRO Cc1cc(N2CC[C@](O)(CNC(=O)C3(Cc4cccc(F)c4)CC[NH+](C)CC3)C2)ncn1 ZINC000257216489 568672833 /nfs/dbraw/zinc/67/28/33/568672833.db2.gz CUSJOCHXODLSRT-DEOSSOPVSA-N 1 0 441.551 1.936 40 0 IDABRO Cc1cc(N2CC[C@@](O)(CNC(=O)C3(Cc4cccc(F)c4)CC[NH+](C)CC3)C2)ncn1 ZINC000257216490 568672860 /nfs/dbraw/zinc/67/28/60/568672860.db2.gz CUSJOCHXODLSRT-XMMPIXPASA-N 1 0 441.551 1.936 40 0 IDABRO Cn1c(=O)cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4[N@H+](C)[C@H]3Cc2ccccc2)n(C)c1=O ZINC000257226230 568676838 /nfs/dbraw/zinc/67/68/38/568676838.db2.gz FJSCRBIWSOTJEB-GWNKNSFXSA-N 1 0 436.556 1.783 40 0 IDABRO CC[NH+]1CCN(CC(=O)N2CCC(COc3ccc(Cl)cc3)(CC(N)=O)CC2)CC1 ZINC000257265643 568695625 /nfs/dbraw/zinc/69/56/25/568695625.db2.gz LZRQOPFBDJNIRP-UHFFFAOYSA-N 1 0 436.984 1.841 40 0 IDABRO COc1ccc(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2cccc(CNC(=O)CO)c2)cc1 ZINC000257282081 568702934 /nfs/dbraw/zinc/70/29/34/568702934.db2.gz OSGHYQRHDKZVJY-YADHBBJMSA-N 1 0 425.529 1.308 40 0 IDABRO Cc1cnn(CC(=O)NC[C@]2(c3ccccc3)CC[C@@H](O)[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000257287931 568705663 /nfs/dbraw/zinc/70/56/63/568705663.db2.gz PSCCYROQKRQVJV-CQOQZXRMSA-N 1 0 426.561 1.881 40 0 IDABRO Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3ccc(OCC[NH+](C)C)cc3)C2)ncn1 ZINC000257288216 568705897 /nfs/dbraw/zinc/70/58/97/568705897.db2.gz PTJQUJJDYMQVLY-HSZRJFAPSA-N 1 0 427.549 1.829 40 0 IDABRO Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccc(OCC[NH3+])cc3)C2)c2cnccc2n1 ZINC000257291255 568707328 /nfs/dbraw/zinc/70/73/28/568707328.db2.gz QGGNKNNZEFVCAZ-XMMPIXPASA-N 1 0 435.528 1.989 40 0 IDABRO CN(C(=O)c1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O ZINC000257292140 568707535 /nfs/dbraw/zinc/70/75/35/568707535.db2.gz QKEMSICBZGERNJ-DNVJHFABSA-N 1 0 431.577 1.847 40 0 IDABRO Cc1cn([C@H]2CCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)CC[C@@H]2O)c(=O)[nH]c1=O ZINC000257295067 568708999 /nfs/dbraw/zinc/70/89/99/568708999.db2.gz QWWCREQYGJVRNG-PMACEKPBSA-N 1 0 426.517 1.691 40 0 IDABRO CN1CCN(C(=O)C[C@H]2CN(C(=O)C[NH+](C)C)CC[C@@H]2Oc2ccc(Cl)cc2)CC1 ZINC000257297076 568710017 /nfs/dbraw/zinc/71/00/17/568710017.db2.gz RFSFNSKJSFOJIS-PXNSSMCTSA-N 1 0 436.984 1.662 40 0 IDABRO CNc1nc([C@H]2CC[NH2+]C2)nc2c1CCN(S(=O)(=O)c1cc(C)c(OC)cc1C)C2 ZINC000257301769 568712227 /nfs/dbraw/zinc/71/22/27/568712227.db2.gz RZWKTLYBTAUPNP-HNNXBMFYSA-N 1 0 431.562 1.968 40 0 IDABRO COCC(=O)NCc1ccc([C@H]2C[N@H+](C)C[C@@H]2C(=O)NCCc2ccc(OC)cc2)cc1 ZINC000257316774 568718609 /nfs/dbraw/zinc/71/86/09/568718609.db2.gz VGYQFTZMINLPFS-PKTZIBPZSA-N 1 0 439.556 1.962 40 0 IDABRO CN(CC1(O)CCN(c2ccnc3cccnc32)CC1)C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000257341512 568729218 /nfs/dbraw/zinc/72/92/18/568729218.db2.gz ZKRGSVGFEUHFMC-IBGZPJMESA-N 1 0 435.528 1.695 40 0 IDABRO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CC[N@@H+](Cc3cnn(C(C)C)c3)C2)cs1 ZINC000306123360 568762583 /nfs/dbraw/zinc/76/25/83/568762583.db2.gz AKYSGPMEUKTPDO-NRFANRHFSA-N 1 0 441.561 1.543 40 0 IDABRO CN(C)C(=O)N1CCC[C@@H]1c1nc(C(=O)NCCCN2CC[NH+](C)CC2)c2ccccn21 ZINC000306126261 568764210 /nfs/dbraw/zinc/76/42/10/568764210.db2.gz DQZVLBVQHRKCFC-LJQANCHMSA-N 1 0 441.580 1.520 40 0 IDABRO O=C1CCCN1C[C@H]1CC[C@]2(COCC[N@H+](Cc3ccccc3N3CCOCC3)C2)O1 ZINC000306130923 568766399 /nfs/dbraw/zinc/76/63/99/568766399.db2.gz JSTFAAKNGCUWMG-QPPBQGQZSA-N 1 0 429.561 1.896 40 0 IDABRO C[NH+](C)CCNC(=O)[C@@H]1CC[C@@H]2CN(Cc3cccnc3)S(=O)(=O)c3ccccc3N21 ZINC000306132877 568767353 /nfs/dbraw/zinc/76/73/53/568767353.db2.gz LVEIUBZZSWTZHG-QUCCMNQESA-N 1 0 443.573 1.301 40 0 IDABRO Cc1ccc(C(=O)N2CCC3(CCc4nnc(C(=O)NCC[NH+](C)C)n4C3)CC2)s1 ZINC000306143998 568773758 /nfs/dbraw/zinc/77/37/58/568773758.db2.gz YSYWWFMBLDVARX-UHFFFAOYSA-N 1 0 430.578 1.808 40 0 IDABRO O=C(CNC(=O)c1ccccc1)NC[C@H]1CC[C@H](C(=O)NCCCN2CCOCC2)CC1 ZINC000101450322 568837759 /nfs/dbraw/zinc/83/77/59/568837759.db2.gz UGQCWTLZVDPDNI-TYKWCNGQSA-N 1 0 444.576 1.178 40 0 IDABRO CCOC(=O)CN1c2ccccc2[C@]2([NH2+][C@@H](C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O ZINC000100166535 568842763 /nfs/dbraw/zinc/84/27/63/568842763.db2.gz RXSJDMJKDUSMSN-HLNFGFGFSA-N 1 0 447.491 1.585 40 0 IDABRO COc1cc(C(=O)N2CCN(c3cc(N4CCOCC4)cn[nH+]3)CC2)cc(OC)c1OC ZINC000224317784 568917796 /nfs/dbraw/zinc/91/77/96/568917796.db2.gz HLJNPVDGPVQEOS-UHFFFAOYSA-N 1 0 443.504 1.301 40 0 IDABRO COc1ccc(C)cc1S(=O)(=O)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000224333619 568920912 /nfs/dbraw/zinc/92/09/12/568920912.db2.gz YCBQOMCOVYTTHB-UHFFFAOYSA-N 1 0 433.534 1.141 40 0 IDABRO CCC(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)C[N@@H+]3CCCC[C@H]3C)C1)C2=O ZINC000248070603 569206989 /nfs/dbraw/zinc/20/69/89/569206989.db2.gz GDJHDJXXQZMCPA-QZTJIDSGSA-N 1 0 447.580 1.175 40 0 IDABRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000010111302 569221151 /nfs/dbraw/zinc/22/11/51/569221151.db2.gz CYYGFROAELSLJG-UHFFFAOYSA-N 1 0 439.578 1.712 40 0 IDABRO CCS(=O)(=O)N1CCC(N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699441 569230572 /nfs/dbraw/zinc/23/05/72/569230572.db2.gz KCWLSDLEUWFUMO-UHFFFAOYSA-N 1 0 434.562 1.387 40 0 IDABRO O=C([C@H]1CCCO1)N1CCC(N2C(=O)NC3(CC[NH+](Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699457 569230631 /nfs/dbraw/zinc/23/06/31/569230631.db2.gz CIPRBZOIOUNUOT-HXUWFJFHSA-N 1 0 440.544 1.743 40 0 IDABRO CC(=O)Nc1ccc(C[NH2+][C@@H]2CO[C@H](CNS(=O)(=O)c3ccc(C)cc3)[C@H]2O)cc1 ZINC000077264774 291320019 /nfs/dbraw/zinc/32/00/19/291320019.db2.gz BSQRNABSMFSYAP-NJYVYQBISA-N 1 0 433.530 1.150 40 0 biogenic,in-vitro IDABRO CN1CCN(Cc2nc(C3(O)CCN(C(=O)COc4ccccc4)CC3)cs2)CC1 ZINC000225473166 291322404 /nfs/dbraw/zinc/32/24/04/291322404.db2.gz RTQFOKWMOQNMHG-UHFFFAOYSA-N 1 0 430.574 1.780 40 0 biogenic,in-vitro IDABRO CC[N@@H+]1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC(C)=O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@@H]32)[C@@H]14 ZINC000030726613 291321454 /nfs/dbraw/zinc/32/14/54/291321454.db2.gz ZEBMMHUDQRRILP-YNLINXDKSA-N 1 0 449.588 1.448 40 0 biogenic,in-vitro IDABRO COc1cccc(C[NH2+]C[C@]2(COc3ccc(S(C)(=O)=O)cc3)C[C@@H](O)[C@@H](O)C2)c1 ZINC000107430511 291324973 /nfs/dbraw/zinc/32/49/73/291324973.db2.gz FOVLZXXJMDZBLT-ZBYYUNFXSA-N 1 0 435.542 1.769 40 0 biogenic,in-vitro IDABRO COc1cccc(C[NH2+]C[C@H]2O[C@H](Cc3cc(CN4CCOCC4)on3)CC[C@@H]2O)c1 ZINC000077263503 291324977 /nfs/dbraw/zinc/32/49/77/291324977.db2.gz YOOKRMUWDSGOJW-ACIOBRDBSA-N 1 0 431.533 1.756 40 0 biogenic,in-vitro IDABRO COCCNC(=S)NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000008635651 291323629 /nfs/dbraw/zinc/32/36/29/291323629.db2.gz PVKMWOKJRARHSN-CNNODRBYSA-N 1 0 449.640 1.769 40 0 biogenic,in-vitro IDABRO COc1ccc(CNC(=O)[C@@H]2CCC[C@@H]([NH2+]Cc3nccn3C)CN(C)C(=O)C2)cc1 ZINC000096113458 291324458 /nfs/dbraw/zinc/32/44/58/291324458.db2.gz WMQBFFLMCRIERL-RTBURBONSA-N 1 0 427.549 1.852 40 0 biogenic,in-vitro IDABRO COc1ccc(CNC(=O)C[C@@H]2C[C@H]3O[C@H](C[NH2+]Cc4ccc(F)cc4)[C@@H](O)[C@H]3O2)cc1 ZINC000225512662 291324477 /nfs/dbraw/zinc/32/44/77/291324477.db2.gz BKDIXJYYROZDDX-CNSORXHKSA-N 1 0 444.503 1.916 40 0 biogenic,in-vitro IDABRO COCC[N@@H+]1C[C@@H]2C(=O)N(C)C3(CCN(S(=O)(=O)c4cccc(F)c4)CC3)[C@@H]2C1 ZINC000096262228 193945394 /nfs/dbraw/zinc/94/53/94/193945394.db2.gz BCVBHRAHKSKBGD-ZWKOTPCHSA-N 1 0 425.526 1.015 40 0 IDABRO CCOC(=O)CN1c2ccccc2[C@@]2([NH2+][C@@H](C)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O ZINC000012413342 520779629 /nfs/dbraw/zinc/77/96/29/520779629.db2.gz RXSJDMJKDUSMSN-VMRKBNOCSA-N 1 0 447.491 1.585 40 0 IDABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccn3)CC2)=[NH+][C@H]1c1ccc(F)cc1 ZINC000020801331 521280808 /nfs/dbraw/zinc/28/08/08/521280808.db2.gz UFCFSQHKQPUTPT-MOPGFXCFSA-N 1 0 425.464 1.749 40 0 IDABRO CC[NH+]1CCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000020803096 521673689 /nfs/dbraw/zinc/67/36/89/521673689.db2.gz IQNCUEXCNHVERX-HXUWFJFHSA-N 1 0 429.565 1.103 40 0 IDABRO CSCC[C@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000008996070 556239447 /nfs/dbraw/zinc/23/94/47/556239447.db2.gz RHYOENXZKCWYKI-MKUROCSXSA-N 1 0 449.960 1.993 40 0 IDABRO C[N@@H+]1[C@@H]2CCN(Cc3ccc(O)cc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1cccs1 ZINC000022923084 556341435 /nfs/dbraw/zinc/34/14/35/556341435.db2.gz UCURGINBTDCZID-WEYGHZABSA-N 1 0 442.585 1.923 40 0 biogenic,in-vitro IDABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)C1 ZINC000030861805 556511348 /nfs/dbraw/zinc/51/13/48/556511348.db2.gz FMUMBLCYBFHAJI-KDURUIRLSA-N 1 0 437.606 1.946 40 0 IDABRO C[NH+](C)CCCNC(=O)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000013669558 556550458 /nfs/dbraw/zinc/55/04/58/556550458.db2.gz ZMXWHLZADWRZTK-UHFFFAOYSA-N 1 0 444.601 1.875 40 0 IDABRO O=C1CCCN1CCCOc1ccc(C[NH2+]C[C@@]2(O)CCCN(c3ncccn3)C2)cc1 ZINC000257228379 556708888 /nfs/dbraw/zinc/70/88/88/556708888.db2.gz FTOURYDLFZORCM-DEOSSOPVSA-N 1 0 439.560 1.989 40 0 IDABRO CC[NH+]1CCN(CC(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](NC(C)=O)CC2)CC1 ZINC000257243941 556710648 /nfs/dbraw/zinc/71/06/48/556710648.db2.gz IJFFOUAXGUCNSU-FIXSFTCYSA-N 1 0 430.593 1.118 40 0 IDABRO Cc1cc(N2CCC[C@@](O)(CNC(=O)COc3ccc(C[NH+]4CCCC4)cc3)C2)ncn1 ZINC000257248570 556711214 /nfs/dbraw/zinc/71/12/14/556711214.db2.gz JEGMUJCNPNVMLQ-XMMPIXPASA-N 1 0 439.560 1.907 40 0 IDABRO Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@H](C)C(=O)NCC[NH+]3CCCC3)CC1)NC2=O ZINC000019219587 556714069 /nfs/dbraw/zinc/71/40/69/556714069.db2.gz AIUODJDXHFRTNV-HXOBKFHXSA-N 1 0 427.549 1.460 40 0 IDABRO Cn1ccc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H]([NH+]3CCN(C)CC3)CC2)n1 ZINC000257286560 556715694 /nfs/dbraw/zinc/71/56/94/556715694.db2.gz PMADNPJLBPNIOO-FIXSFTCYSA-N 1 0 425.577 1.639 40 0 IDABRO Cc1ccc2oc(=O)n(CC(=O)N3CCC[C@@H](c4nc5c(c(=O)[nH]4)C[N@H+](C)CC5)C3)c2c1 ZINC000019221420 556715758 /nfs/dbraw/zinc/71/57/58/556715758.db2.gz ANKXLUMADPDLGT-OAHLLOKOSA-N 1 0 437.500 1.380 40 0 IDABRO C[N@H+](Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@]1(O)CCN(c2ccccn2)C1 ZINC000257297428 556717171 /nfs/dbraw/zinc/71/71/71/556717171.db2.gz RHFDHPWYABPTAU-XMMPIXPASA-N 1 0 440.544 1.392 40 0 IDABRO CCS(=O)(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccc(OC)cc2)CC3)C1 ZINC000019520255 556776069 /nfs/dbraw/zinc/77/60/69/556776069.db2.gz OGGWXFQSGQMBEW-MRXNPFEDSA-N 1 0 432.546 1.888 40 0 IDABRO CCn1cc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](c3ccnc(N4CCCC4)n3)C2)c(C)n1 ZINC000019524671 556782074 /nfs/dbraw/zinc/78/20/74/556782074.db2.gz KRKIOFDHEZUPIU-QZTJIDSGSA-N 1 0 447.609 1.568 40 0 IDABRO CC[NH+](CC)CCN1c2ccccc2C(=O)N[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3C)C[C@H]2C1=O ZINC000019526388 556784560 /nfs/dbraw/zinc/78/45/60/556784560.db2.gz ZIWOYMXXILCMPL-BKJGLDIHSA-N 1 0 426.561 1.978 40 0 IDABRO CC[NH+](CC)CCN1c2ccccc2C(=O)N[C@@]2(C)CN(C(=O)[C@@H]3C[C@@H]3C)C[C@H]2C1=O ZINC000019526386 556784604 /nfs/dbraw/zinc/78/46/04/556784604.db2.gz ZIWOYMXXILCMPL-DOGKRZLPSA-N 1 0 426.561 1.978 40 0 IDABRO CC[N@@H+]1CCC[C@H]1CNC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1cc(C)ccc1O2 ZINC000019527232 556785313 /nfs/dbraw/zinc/78/53/13/556785313.db2.gz FLEBKTDYCMBGPX-SBUREZEXSA-N 1 0 428.533 1.427 40 0 IDABRO Cc1sc2ncn(CC3(O)CCN(C(=O)[C@H](C)C[NH+]4CCOCC4)CC3)c(=O)c2c1C ZINC000019561292 556802551 /nfs/dbraw/zinc/80/25/51/556802551.db2.gz JQMKILZNOJWZPL-OAHLLOKOSA-N 1 0 448.589 1.397 40 0 IDABRO Cc1c(C[N@@H+]2CCNC(=O)[C@H](Cc3ccc(-c4ccccc4)cc3)C2)c(=O)n(C)c(=O)n1C ZINC000019577097 556815152 /nfs/dbraw/zinc/81/51/52/556815152.db2.gz ZYTHLCSBBKUKAA-JOCHJYFZSA-N 1 0 446.551 1.850 40 0 IDABRO C[NH+](C)CCN1CCN(CC(=O)N2C[C@@H](c3ccccc3)[C@H](c3csnn3)C2)CC1 ZINC000019582859 556820376 /nfs/dbraw/zinc/82/03/76/556820376.db2.gz SPHASHXOCFBEDF-VQTJNVASSA-N 1 0 428.606 1.427 40 0 IDABRO COCCOc1ccc(C[N@@H+]2CCc3nc(N4CCOCC4)[nH]c(=O)c3CC2)cc1OC ZINC000019593762 556830104 /nfs/dbraw/zinc/83/01/04/556830104.db2.gz VXKJRIJYIPCIOP-UHFFFAOYSA-N 1 0 444.532 1.653 40 0 IDABRO CCC(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)C[N@@H+]3CCCC[C@@H]3C)C1)C2=O ZINC000019699748 556859633 /nfs/dbraw/zinc/85/96/33/556859633.db2.gz GDJHDJXXQZMCPA-ZWKOTPCHSA-N 1 0 447.580 1.175 40 0 IDABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCN(S(=O)(=O)c3ccc(C)cc3)C1)C2=O ZINC000019700775 556860215 /nfs/dbraw/zinc/86/02/15/556860215.db2.gz JHQQZJUELSAXKS-KRWDZBQOSA-N 1 0 434.562 1.554 40 0 IDABRO CCC[NH+]1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)c3snnc3CC)CC1)C2=O ZINC000019700762 556860225 /nfs/dbraw/zinc/86/02/25/556860225.db2.gz KVBQZXGURLLEKO-UHFFFAOYSA-N 1 0 448.593 1.749 40 0 IDABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCN(C(=O)c3n[nH]c4c3CCCCC4)C1)C2=O ZINC000019700804 556860358 /nfs/dbraw/zinc/86/03/58/556860358.db2.gz UCVTZLZCORDMPY-MRXNPFEDSA-N 1 0 442.564 1.690 40 0 IDABRO CN(C)c1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)C(=O)C[NH+](C)C)n1 ZINC000019700812 556860431 /nfs/dbraw/zinc/86/04/31/556860431.db2.gz KMYJIHNILCPSGN-HNNXBMFYSA-N 1 0 428.512 1.722 40 0 IDABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCN(S(=O)(=O)c3ccc(C)c(C)c3)C1)C2=O ZINC000019700798 556860439 /nfs/dbraw/zinc/86/04/39/556860439.db2.gz FAQINVVHCDECTP-GOSISDBHSA-N 1 0 448.589 1.863 40 0 IDABRO CC1(C)C=C(CC(=O)N2CCc3nc(N)c(C(=O)N4CCOCC4)cc3C2)CC(C)(C)[NH2+]1 ZINC000019701104 556861177 /nfs/dbraw/zinc/86/11/77/556861177.db2.gz WGQVIWXJEAUSPK-UHFFFAOYSA-N 1 0 441.576 1.888 40 0 IDABRO CNc1cc(CN(C)C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)nc(C2CC[NH2+]CC2)n1 ZINC000019710116 556871811 /nfs/dbraw/zinc/87/18/11/556871811.db2.gz CPTZFVNQYDWZSD-IBGZPJMESA-N 1 0 436.560 1.992 40 0 IDABRO Cc1cc(NC(=O)Cn2cc(C(=O)N3CCC[C@@H](C[NH+]4CCCC4)C3)ccc2=O)no1 ZINC000019751008 556894981 /nfs/dbraw/zinc/89/49/81/556894981.db2.gz IDLLHQWVLQAQTL-KRWDZBQOSA-N 1 0 427.505 1.731 40 0 IDABRO Cc1cc(NC(=O)Cn2cc(C(=O)N3CCC[C@H](C[NH+]4CCCC4)C3)ccc2=O)no1 ZINC000019751011 556894991 /nfs/dbraw/zinc/89/49/91/556894991.db2.gz IDLLHQWVLQAQTL-QGZVFWFLSA-N 1 0 427.505 1.731 40 0 IDABRO CN(CCO)C(=O)c1cc([C@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)nc2ccccc21 ZINC000019759420 556903048 /nfs/dbraw/zinc/90/30/48/556903048.db2.gz XJZVRQMYTOWIEK-OAQYLSRUSA-N 1 0 426.517 1.295 40 0 IDABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)N1CC[C@@]2(CCC1=O)Nc1cc(C)ccc1C(=O)N2 ZINC000072327947 556904921 /nfs/dbraw/zinc/90/49/21/556904921.db2.gz SJWMRANMENYLPN-GGUMNFRJSA-N 1 0 441.576 1.848 40 0 IDABRO C[NH+]1CCN(CCCNC(=O)[C@H]2C[C@H]3CC[C@]2(C)C[C@]32NC(=O)c3cccnc3N2)CC1 ZINC000072342625 556914676 /nfs/dbraw/zinc/91/46/76/556914676.db2.gz OBGJYBUURDAWIC-WRGFRKCQSA-N 1 0 440.592 1.513 40 0 IDABRO COc1ncc(C[N@@H+]2C[C@@H](C(=O)NCCc3noc(C)n3)C3(C2)CCOCC3)cc1C ZINC000585101908 557035163 /nfs/dbraw/zinc/03/51/63/557035163.db2.gz IRLBTWLIFNVNAD-SFHVURJKSA-N 1 0 429.521 1.678 40 0 IDABRO Cc1nc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(C(=O)c2ncn(C)n2)C3)cs1 ZINC000585102871 557036639 /nfs/dbraw/zinc/03/66/39/557036639.db2.gz LNEVURIQTSZXEP-LAUBAEHRSA-N 1 0 430.578 1.971 40 0 IDABRO Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000022829928 557043934 /nfs/dbraw/zinc/04/39/34/557043934.db2.gz IWTXPHXPOAKVGL-UHFFFAOYSA-N 1 0 436.622 1.927 40 0 IDABRO CN(c1ccccc1C(=O)NCCCN1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1 ZINC000022933779 557051718 /nfs/dbraw/zinc/05/17/18/557051718.db2.gz MJIIDJPEPCGGHC-UHFFFAOYSA-N 1 0 430.574 1.879 40 0 IDABRO CC[NH+](CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NCCOC ZINC000006193397 557148460 /nfs/dbraw/zinc/14/84/60/557148460.db2.gz XMPDFRUQQSIQQX-UHFFFAOYSA-N 1 0 434.562 1.922 40 0 IDABRO COCCNC(=S)N(CCC[NH+](C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000006198453 557150046 /nfs/dbraw/zinc/15/00/46/557150046.db2.gz KDOWEHHDVHXSTE-UHFFFAOYSA-N 1 0 434.562 1.574 40 0 IDABRO CNC(=O)CN1CC2(CC[NH+](Cc3ccc(C)o3)CC2)COc2ccccc2S1(=O)=O ZINC000096037194 557164487 /nfs/dbraw/zinc/16/44/87/557164487.db2.gz MCJWRNJRFWIMSE-UHFFFAOYSA-N 1 0 447.557 2.000 40 0 IDABRO CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)NC)C1)CCN(S(=O)(=O)c1ccc(OC)cc1)CC3 ZINC000096143866 557171209 /nfs/dbraw/zinc/17/12/09/557171209.db2.gz DAALWIFWMIHBQR-SIKLNZKXSA-N 1 0 435.590 1.944 40 0 IDABRO C[NH+](C)CC(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(Cc3cccnc3)[C@H]2CC1 ZINC000096145884 557176089 /nfs/dbraw/zinc/17/60/89/557176089.db2.gz GQYQKEYSFHYVAY-OALUTQOASA-N 1 0 444.557 1.586 40 0 IDABRO Cn1cccc1C(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC[NH+](C)C)[C@H]2CC1 ZINC000096145913 557176104 /nfs/dbraw/zinc/17/61/04/557176104.db2.gz MQOLLMARJDSWKW-HKUYNNGSSA-N 1 0 446.573 1.643 40 0 IDABRO CC(C)n1c2c(nc1C(=O)N1CCC([NH+]3CCCCC3)CC1)CN(S(C)(=O)=O)CC2 ZINC000096147141 557176928 /nfs/dbraw/zinc/17/69/28/557176928.db2.gz KLGVRTYDRHIWCT-UHFFFAOYSA-N 1 0 437.610 1.872 40 0 IDABRO Cc1cccc(C[NH+]2CCC3(CC2)O[C@H](C(=O)NC[C@@H]2CCCO2)Cn2ccnc23)n1 ZINC000096243774 557187912 /nfs/dbraw/zinc/18/79/12/557187912.db2.gz CTOXFXLGOFBJQT-PMACEKPBSA-N 1 0 425.533 1.772 40 0 IDABRO CC(C)CC(=O)N1CCC[C@]2(C(=O)N3CCOCC3)C[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC000096251504 557189017 /nfs/dbraw/zinc/18/90/17/557189017.db2.gz PEYLDDYHPFPTCR-OFNKIYASSA-N 1 0 431.581 1.366 40 0 IDABRO CN1C(=O)[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C12CCN(S(=O)(=O)c1ccccc1)CC2 ZINC000096262260 557189694 /nfs/dbraw/zinc/18/96/94/557189694.db2.gz JVVHBTOOHMAFNA-LEWJYISDSA-N 1 0 440.569 1.825 40 0 IDABRO COc1cccc(N2CCC(O)(C[N@@H+]3CC[C@@H]4[C@H](C3)CCCCN4CC(N)=O)CC2)c1 ZINC000585282576 557221530 /nfs/dbraw/zinc/22/15/30/557221530.db2.gz HERVPCIFENRWQD-SIKLNZKXSA-N 1 0 430.593 1.688 40 0 IDABRO Cc1ccc(N2CCC(O)(C[N@@H+]3C[C@@H]4OCC(=O)N(C5CCOCC5)[C@H]4C3)CC2)cc1 ZINC000585284503 557224184 /nfs/dbraw/zinc/22/41/84/557224184.db2.gz SRURFNBTFUJMQB-VXKWHMMOSA-N 1 0 429.561 1.417 40 0 IDABRO CC(=O)N1CCC(O)(C[N@@H+]2CCOC[C@](O)(COc3ccc(F)c(Cl)c3)C2)CC1 ZINC000585284777 557224566 /nfs/dbraw/zinc/22/45/66/557224566.db2.gz ZWSHRSWSAXYFHK-FQEVSTJZSA-N 1 0 430.904 1.295 40 0 IDABRO O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000585289457 557226611 /nfs/dbraw/zinc/22/66/11/557226611.db2.gz GWUZZUQJRILKST-PKTZIBPZSA-N 1 0 430.570 1.738 40 0 IDABRO Cc1cc(C)c(C)c(OCCC[NH2+]C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)c1 ZINC000585289774 557226649 /nfs/dbraw/zinc/22/66/49/557226649.db2.gz JYTHZIBXYZAFHR-PKTZIBPZSA-N 1 0 448.585 1.767 40 0 IDABRO O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC000585290643 557227974 /nfs/dbraw/zinc/22/79/74/557227974.db2.gz RXBRVMDUGVOADL-MSOLQXFVSA-N 1 0 430.448 1.592 40 0 IDABRO O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000585291100 557228366 /nfs/dbraw/zinc/22/83/66/557228366.db2.gz KDSBROYBONYKQP-RSXGOPAZSA-N 1 0 437.584 1.808 40 0 IDABRO O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CN2CC[NH+](C3CCCCCC3)CC2)C1 ZINC000585292224 557230408 /nfs/dbraw/zinc/23/04/08/557230408.db2.gz YLWGUVKVNZPYEW-YADHBBJMSA-N 1 0 437.606 1.123 40 0 IDABRO OC[C@H]1[C@H](O)C[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)[C@@H]1Cc1ccnc(-c2cccnc2)n1 ZINC000604382116 557236804 /nfs/dbraw/zinc/23/68/04/557236804.db2.gz FJBDKSHVCAUUBQ-XRXFAXGQSA-N 1 0 434.496 1.958 40 0 biogenic,in-vitro IDABRO COc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC3CC[NH+](C)CC3)Oc3ccccc32)cc1 ZINC000219403904 557242825 /nfs/dbraw/zinc/24/28/25/557242825.db2.gz VKLYTHCUCBAXIO-OAQYLSRUSA-N 1 0 445.541 1.862 40 0 IDABRO CN(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1C[NH+](C)C ZINC000057773635 557265307 /nfs/dbraw/zinc/26/53/07/557265307.db2.gz ACRIGBFMNDEZDD-YADHBBJMSA-N 1 0 438.572 1.627 40 0 IDABRO CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1F ZINC000113947652 557380809 /nfs/dbraw/zinc/38/08/09/557380809.db2.gz SAMIIUHTXFWCDU-UHFFFAOYSA-N 1 0 449.552 1.829 40 0 IDABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ncccn3)CC2)=[NH+][C@H]1c1cccc(Cl)c1 ZINC000013640136 557385184 /nfs/dbraw/zinc/38/51/84/557385184.db2.gz UZFVUFJOAJVKQP-IRXDYDNUSA-N 1 0 442.907 1.658 40 0 IDABRO CCC[NH+]1CCN([C@H](c2nnnn2CCOC)c2cc3c(C)cc(C)cc3[nH]c2=O)CC1 ZINC000019503407 557500398 /nfs/dbraw/zinc/50/03/98/557500398.db2.gz DEEXNOSHTUZNBI-NRFANRHFSA-N 1 0 439.564 1.895 40 0 IDABRO COc1ccc(S(=O)(=O)N(C)CC(=O)NCCC[NH+]2CCC(C)CC2)cc1OC ZINC000225193069 557698383 /nfs/dbraw/zinc/69/83/83/557698383.db2.gz XSECLVABYQJHPI-UHFFFAOYSA-N 1 0 427.567 1.563 40 0 IDABRO OCCOCCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1 ZINC000585269975 568616767 /nfs/dbraw/zinc/61/67/67/568616767.db2.gz 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C[N@H+](Cc1ccccc1)[C@H]1[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)O[C@@H](CO)[C@H]1O ZINC000030879711 291322410 /nfs/dbraw/zinc/32/24/10/291322410.db2.gz LIOVIZSJOAXEFB-FUMNGEBKSA-N 1 0 440.949 1.240 40 0 biogenic,in-vitro IDABRO O=C(C[C@@H]1C[C@H]2O[C@H](C[NH2+]Cc3ccccc3Cl)[C@@H](O)[C@H]2O1)N1CCC(F)(F)C1 ZINC000225518497 291327164 /nfs/dbraw/zinc/32/71/64/291327164.db2.gz ATARGYCPZKVKCF-ZLJHSHKTSA-N 1 0 430.879 1.973 40 0 biogenic,in-vitro IDABRO CCN1CC[C@@]2(C[N@H+](CCOC)CC23CCN(S(=O)(=O)c2cccnc2)CC3)C1=O ZINC000096262659 193945903 /nfs/dbraw/zinc/94/59/03/193945903.db2.gz XNNNUHGCFIFDRD-OAQYLSRUSA-N 1 0 436.578 1.053 40 0 IDABRO CC(C)[C@H](NC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000022048441 519820564 /nfs/dbraw/zinc/82/05/64/519820564.db2.gz GSNVZVQZHGDMFF-CMOCDZPBSA-N 1 0 426.561 1.728 40 0 in-vitro IDABRO CCOC(=O)C1=C(O)NC(N2CCN(C(=O)c3ccco3)CC2)=[NH+][C@@H]1c1ccc(C)cc1 ZINC000020674613 521093806 /nfs/dbraw/zinc/09/38/06/521093806.db2.gz VMVDVPLTEPOZJT-RBUKOAKNSA-N 1 0 438.484 1.752 40 0 IDABRO CCCc1nn(C)c2c1nc(-c1cc(C(=O)CN3CC[NH2+]CC3)ccc1OCC)[nH]c2=O ZINC000022056090 521557028 /nfs/dbraw/zinc/55/70/28/521557028.db2.gz WEOQBTNHLQVMQF-UHFFFAOYSA-N 1 0 438.532 1.763 40 0 in-vitro IDABRO CN(C)c1cc([C@@H]2CC(=O)N(C)C2)nc(CN(C)C(=O)C2C[NH+](Cc3ccccc3)C2)n1 ZINC000072352034 522120404 /nfs/dbraw/zinc/12/04/04/522120404.db2.gz FRCQKWNYVBKENN-GOSISDBHSA-N 1 0 436.560 1.579 40 0 IDABRO COc1ccccc1C[NH2+][C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCN(c3ccccc3)CC2)[C@H]1O ZINC000020463857 524490712 /nfs/dbraw/zinc/49/07/12/524490712.db2.gz YFFXZPROGILHJP-ZSXJVMONSA-N 1 0 425.529 1.460 40 0 biogenic,in-vitro IDABRO C[C@H](C(=O)NCC[NH+]1CCCCCC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704882 556110978 /nfs/dbraw/zinc/11/09/78/556110978.db2.gz VBQYROPGFAYKBK-MRXNPFEDSA-N 1 0 425.551 1.605 40 0 IDABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)C1 ZINC000030861799 556511306 /nfs/dbraw/zinc/51/13/06/556511306.db2.gz 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IDABRO C[N@H+](Cc1ccc(OCCN2CCOCC2)cc1)C[C@@]1(O)CCCN(c2cnccn2)C1 ZINC000585273003 557215491 /nfs/dbraw/zinc/21/54/91/557215491.db2.gz OIWLLQWVHPRUMR-DEOSSOPVSA-N 1 0 441.576 1.651 40 0 IDABRO COc1cc(C[NH2+]C[C@@]2(O)CCN(c3ccccn3)C2)ccc1OCCN1CCOCC1 ZINC000585274175 557218029 /nfs/dbraw/zinc/21/80/29/557218029.db2.gz UFZXAWXIXYCKNE-DEOSSOPVSA-N 1 0 442.560 1.532 40 0 IDABRO COCCCN1C(=O)[C@H]2[C@@H](Cc3ccc(O)cc3)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O ZINC000097514678 557219221 /nfs/dbraw/zinc/21/92/21/557219221.db2.gz NKZXHBWKHXAHSY-KCOOYEKVSA-N 1 0 435.480 1.392 40 0 IDABRO COc1ccc(N(CC(=O)NCCC[NH+]2CCC(C)CC2)S(C)(=O)=O)c(OC)c1 ZINC000010540553 557222207 /nfs/dbraw/zinc/22/22/07/557222207.db2.gz FPKWOEUTPWKXEC-UHFFFAOYSA-N 1 0 427.567 1.708 40 0 IDABRO COCC(=O)N1CC[N@@H+](C2CCN(C(C)=O)CC2)C[C@](O)(COc2ccc(C)c(C)c2)C1 ZINC000585283033 557222517 /nfs/dbraw/zinc/22/25/17/557222517.db2.gz OTBMTLRYGADYHJ-XMMPIXPASA-N 1 0 447.576 1.215 40 0 IDABRO CCOC(=O)N1CCC(O)(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(F)ccc3F)C2)CC1 ZINC000585283158 557222779 /nfs/dbraw/zinc/22/27/79/557222779.db2.gz QLLMJTLAOWHKRB-RXVVDRJESA-N 1 0 444.475 1.125 40 0 IDABRO O=C(CCc1ccccc1)N1CC[C@](O)(C[NH2+]CCc2ccc3c(c2)OCO3)[C@@H](O)C1 ZINC000585285624 557224999 /nfs/dbraw/zinc/22/49/99/557224999.db2.gz RCJGZRBBBPWDCT-UPVQGACJSA-N 1 0 426.513 1.505 40 0 IDABRO COc1cccc(C(C)(C)C[NH2+]C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)c1 ZINC000585289076 557226624 /nfs/dbraw/zinc/22/66/24/557226624.db2.gz CWZMNPNWPJFMOS-IRLDBZIGSA-N 1 0 434.558 1.359 40 0 IDABRO COc1ccc(C[NH2+]C[C@@]2(O)CCN(C(=O)CCc3ccccc3)C[C@@H]2O)cc1OC ZINC000585290335 557227252 /nfs/dbraw/zinc/22/72/52/557227252.db2.gz QKCNTTHEBMFZAD-UPVQGACJSA-N 1 0 428.529 1.751 40 0 IDABRO O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]CC2(c3ccccc3Cl)CC2)C1 ZINC000585290601 557227893 /nfs/dbraw/zinc/22/78/93/557227893.db2.gz DENPYNIMIFBNJP-CTNGQTDRSA-N 1 0 436.961 1.758 40 0 IDABRO C[NH+]1CCN(CCCNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)CC1 ZINC000022829455 557271138 /nfs/dbraw/zinc/27/11/38/557271138.db2.gz CKWYUAHHGURYPV-UHFFFAOYSA-N 1 0 448.564 1.775 40 0 IDABRO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)CC1 ZINC000113948487 557380677 /nfs/dbraw/zinc/38/06/77/557380677.db2.gz URFBNSYYQCMCIY-HXUWFJFHSA-N 1 0 430.530 1.604 40 0 IDABRO C[NH+]1CCC(NC(=O)[C@@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)CC1 ZINC000113946433 557380733 /nfs/dbraw/zinc/38/07/33/557380733.db2.gz GKSBZMFTAVRCCZ-NRFANRHFSA-N 1 0 429.542 1.994 40 0 IDABRO CCOC(=O)C1=C(O)NC(N2CCN(C(=O)OCC)CC2)=[NH+][C@H]1c1cccc(Cl)c1 ZINC000013640117 557384931 /nfs/dbraw/zinc/38/49/31/557384931.db2.gz TWBGQHGVDRMKGX-HOTGVXAUSA-N 1 0 436.896 1.820 40 0 IDABRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCC[NH+]1CCCC1 ZINC000224264073 557582444 /nfs/dbraw/zinc/58/24/44/557582444.db2.gz FRRYZFLKWSAJTI-UHFFFAOYSA-N 1 0 439.578 1.251 40 0 IDABRO CS(=O)(=O)N(CCCC(=O)NCCC[NH+]1CCCC1)c1ccc2c(c1)OCCO2 ZINC000224266721 557583098 /nfs/dbraw/zinc/58/30/98/557583098.db2.gz YBDOCQFCZYBEJQ-UHFFFAOYSA-N 1 0 425.551 1.606 40 0 IDABRO COc1ccc(S(=O)(=O)N(C)CC(=O)NCCC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000260836860 557860055 /nfs/dbraw/zinc/86/00/55/557860055.db2.gz AODCZLZCTHITKV-INIZCTEOSA-N 1 0 427.567 1.563 40 0 IDABRO Cn1ccnc1COc1ccc(C[N@@H+]2C[C@H](O)C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C2)cc1 ZINC000585271097 568617538 /nfs/dbraw/zinc/61/75/38/568617538.db2.gz QSRZZDRMWOXMQL-MISYRCLQSA-N 1 0 446.548 1.820 40 0 IDABRO Cc1cc(C)n(CCOc2ccc(C[N@H+]3CC[C@](O)(CN4CCN(C)CC4)C3)cc2)n1 ZINC000585271349 568618010 /nfs/dbraw/zinc/61/80/10/568618010.db2.gz WVPMLTWIHMUXQR-DEOSSOPVSA-N 1 0 427.593 1.763 40 0 IDABRO O=C(CN1CCOCC1)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCC(O)CC2)CC1 ZINC000257209769 568669786 /nfs/dbraw/zinc/66/97/86/568669786.db2.gz BRVAOWCHLIKGNN-LSQMVHIFSA-N 1 0 445.604 1.133 40 0 IDABRO Cn1c(=O)cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[NH2+][C@@H]3Cc2ccccc2)n(C)c1=O ZINC000257258685 568692346 /nfs/dbraw/zinc/69/23/46/568692346.db2.gz KVCDXXNPXPAOCH-VAPFZHLKSA-N 1 0 436.556 1.831 40 0 IDABRO Cc1cc(N2CC[C@@](O)(CNC(=O)COc3ccc(C[NH+]4CCCC4)cc3)C2)ncn1 ZINC000257272450 568698901 /nfs/dbraw/zinc/69/89/01/568698901.db2.gz NCLSWEKHFJKCTN-HSZRJFAPSA-N 1 0 425.533 1.517 40 0 IDABRO CNc1cc(N2CCC[C@@](O)(CNC(=O)c3ccc(OCC[NH+](C)C)cc3)C2)ncn1 ZINC000257289018 568706171 /nfs/dbraw/zinc/70/61/71/568706171.db2.gz PWQXMBRSQDMWLB-JOCHJYFZSA-N 1 0 428.537 1.220 40 0 IDABRO Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)CCC(=O)N2CCNC(=O)C2(C)C)n1 ZINC000257303047 568712371 /nfs/dbraw/zinc/71/23/71/568712371.db2.gz SFOGWYSBSCIJOC-SFHVURJKSA-N 1 0 438.532 1.756 40 0 IDABRO COc1ccc(NC(C)=O)c(NC(=O)CN2CC[C@](O)(C[NH+]3CCC(F)(F)CC3)C2)c1 ZINC000257307631 568714508 /nfs/dbraw/zinc/71/45/08/568714508.db2.gz SZORCKCEFVUXBL-FQEVSTJZSA-N 1 0 440.491 1.760 40 0 IDABRO NC(=O)[C@]1(c2ccccn2)CCC[N@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000257314216 568717329 /nfs/dbraw/zinc/71/73/29/568717329.db2.gz 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CCOC(=O)C1=C(O)NC(N2CCN(c3ccccn3)CC2)=[NH+][C@@H]1c1ccc(F)cc1 ZINC000020801323 521280759 /nfs/dbraw/zinc/28/07/59/521280759.db2.gz UFCFSQHKQPUTPT-RTBURBONSA-N 1 0 425.464 1.749 40 0 IDABRO C[NH+]1CCN(CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)CC1 ZINC000022529398 523896812 /nfs/dbraw/zinc/89/68/12/523896812.db2.gz NWZFRHNNGJBGEV-UHFFFAOYSA-N 1 0 440.585 1.121 40 0 IDABRO OC[C@@H]1O[C@H](C[NH2+]Cc2cccc(Cl)c2)[C@H](N2CCN(c3ccccc3)CC2)[C@@H]1O ZINC000020464908 527600847 /nfs/dbraw/zinc/60/08/47/527600847.db2.gz QPGLYZWIFVQKIW-WZYRSQIMSA-N 1 0 431.964 1.741 40 0 biogenic,in-vitro IDABRO CN(C)C(=O)c1nc(CNC(=O)C[NH3+])n(-c2ccc(Cl)cc2C(=O)c2ccccc2)n1 ZINC000001591479 555704878 /nfs/dbraw/zinc/70/48/78/555704878.db2.gz PJYXYQHKKWCODE-UHFFFAOYSA-N 1 0 440.891 1.428 40 0 IDABRO CCOC(=O)C(CC[NH+]1CCC2(CC1)C(=O)N(C)CN2c1ccccc1)C(=O)OCC ZINC000001641800 555707904 /nfs/dbraw/zinc/70/79/04/555707904.db2.gz WRXQBADSHWKVSI-UHFFFAOYSA-N 1 0 431.533 1.890 40 0 IDABRO COc1ccc(N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000010111358 556325596 /nfs/dbraw/zinc/32/55/96/556325596.db2.gz MZZNUNBEIIJXFE-UHFFFAOYSA-N 1 0 435.546 1.967 40 0 IDABRO Cn1c(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)N2CCCC2)[N@@H+]3C)nc2ccccc21 ZINC000022920882 556340195 /nfs/dbraw/zinc/34/01/95/556340195.db2.gz JWQPKUNTTXYKGJ-WGGBDISSSA-N 1 0 438.576 1.349 40 0 biogenic,in-vitro IDABRO COc1ccc(N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)c2ccccc2)cc1OC ZINC000013646790 556543888 /nfs/dbraw/zinc/54/38/88/556543888.db2.gz RBDJACPNLZWKAN-UHFFFAOYSA-N 1 0 435.546 1.967 40 0 IDABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCCCC1)c1ccc2c(c1)OCCO2 ZINC000013668230 556548937 /nfs/dbraw/zinc/54/89/37/556548937.db2.gz DXECPZUMOYEUGJ-UHFFFAOYSA-N 1 0 425.551 1.606 40 0 IDABRO C[C@@H](C(=O)NCCC[NH+]1CCCCCC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000013671804 556552348 /nfs/dbraw/zinc/55/23/48/556552348.db2.gz IQHFHSOBUZGQND-KRWDZBQOSA-N 1 0 439.578 1.995 40 0 IDABRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000013672588 556553035 /nfs/dbraw/zinc/55/30/35/556553035.db2.gz NOWQRAQZLHKVPD-UHFFFAOYSA-N 1 0 439.578 1.568 40 0 IDABRO COC(=O)c1cccc(C(=O)N2CC3(C2)C[N@H+](Cc2ccccc2)C[C@@H]2C[C@@H](O)CN23)c1 ZINC000514288452 556624751 /nfs/dbraw/zinc/62/47/51/556624751.db2.gz AGMFNGGUXOBIJE-FCHUYYIVSA-N 1 0 435.524 1.619 40 0 biogenic,in-vitro IDABRO Cc1ccc(C2(C[NH+]3CCC(NC(=O)CN(C)[C@@H]4CCS(=O)(=O)C4)CC3)CC2)cc1 ZINC000019208362 556708178 /nfs/dbraw/zinc/70/81/78/556708178.db2.gz OCMPCEKGROOHFY-OAQYLSRUSA-N 1 0 433.618 1.726 40 0 IDABRO CN(C)c1cc(N2CCC[C@@](O)(C[NH2+]Cc3cccc(CN4CCOCC4)c3)C2)ncn1 ZINC000257226853 556708510 /nfs/dbraw/zinc/70/85/10/556708510.db2.gz FMLBLYNBEKMACX-XMMPIXPASA-N 1 0 440.592 1.496 40 0 IDABRO COc1cc(C[N@@H+]2CCc3nc(N4CCOCC4)[nH]c(=O)c3CC2)cc(OC)c1OC ZINC000019549890 556795081 /nfs/dbraw/zinc/79/50/81/556795081.db2.gz CFTCBHASJHIAGY-UHFFFAOYSA-N 1 0 430.505 1.645 40 0 IDABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc4c(c(=O)[nH]3)CN(S(C)(=O)=O)CC4)C2)cc1 ZINC000019555213 556798289 /nfs/dbraw/zinc/79/82/89/556798289.db2.gz ROFOTPLDXVRYBM-MRXNPFEDSA-N 1 0 432.546 1.476 40 0 IDABRO CN(C)S(=O)(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cccs2)CC3)C1 ZINC000019583667 556820864 /nfs/dbraw/zinc/82/08/64/556820864.db2.gz SLRUEWCPNPXBIH-CQSZACIVSA-N 1 0 437.591 1.788 40 0 IDABRO CN(C)S(=O)(=O)N1CCc2nc([C@H]3CCC[N@H+](Cc4ccccc4F)C3)[nH]c(=O)c2C1 ZINC000019583793 556821289 /nfs/dbraw/zinc/82/12/89/556821289.db2.gz UNPMIDJAMHECJG-INIZCTEOSA-N 1 0 449.552 1.453 40 0 IDABRO CN(C)S(=O)(=O)N1CCc2nc([C@H]3CCC[N@H+](C[C@H]4CC=CCC4)C3)[nH]c(=O)c2C1 ZINC000019583780 556821446 /nfs/dbraw/zinc/82/14/46/556821446.db2.gz FHVUGNNLWAADPR-IRXDYDNUSA-N 1 0 435.594 1.882 40 0 IDABRO CN(Cc1ccc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3CC2)o1)S(C)(=O)=O ZINC000019586437 556823159 /nfs/dbraw/zinc/82/31/59/556823159.db2.gz MGIXUMYWOWBUNN-UHFFFAOYSA-N 1 0 443.529 1.417 40 0 IDABRO CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)C[NH+]3CCCCC3)C1)C2=O ZINC000019699581 556859059 /nfs/dbraw/zinc/85/90/59/556859059.db2.gz MHKKCDIKTGTGDU-SFHVURJKSA-N 1 0 447.580 1.032 40 0 IDABRO CCC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCN(C(=O)c3n[nH]c4c3CCCCC4)C1)C2=O ZINC000019700805 556860391 /nfs/dbraw/zinc/86/03/91/556860391.db2.gz UCVTZLZCORDMPY-INIZCTEOSA-N 1 0 442.564 1.690 40 0 IDABRO CN(C)c1cc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)nc([C@@H]2CCCC[NH2+]2)n1 ZINC000019709867 556871327 /nfs/dbraw/zinc/87/13/27/556871327.db2.gz QJBFYVFOLQQHIE-KRWDZBQOSA-N 1 0 447.561 1.949 40 0 IDABRO CN(C)c1cc([C@H]2CCC[NH2+]C2)nc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)n1 ZINC000019709968 556871626 /nfs/dbraw/zinc/87/16/26/556871626.db2.gz NOHHGQZZOCJBJB-HNNXBMFYSA-N 1 0 447.561 1.602 40 0 IDABRO C[NH+](C)C[C@@H]1CCCN(C(=O)Cn2cc(C(=O)NCc3ccc(F)cc3)ccc2=O)C1 ZINC000019751326 556895237 /nfs/dbraw/zinc/89/52/37/556895237.db2.gz FTRMIGLAADUZPW-SFHVURJKSA-N 1 0 428.508 1.718 40 0 IDABRO O=C(C[NH+]1CCCCCC1)N1CCO[C@@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 ZINC000019759428 556903085 /nfs/dbraw/zinc/90/30/85/556903085.db2.gz UZIWGGCWBCZZGD-JOCHJYFZSA-N 1 0 440.544 1.733 40 0 IDABRO Cn1c(=O)c2c(C(F)(F)F)cc([C@H]3CCCN3C(=O)C[NH+]3CCCC3)nc2n(C)c1=O ZINC000072374582 556948556 /nfs/dbraw/zinc/94/85/56/556948556.db2.gz UICQQDQGPSRLOR-CQSZACIVSA-N 1 0 439.438 1.410 40 0 IDABRO CN(C)S(=O)(=O)N1CCc2nc([C@H]3CCC[N@H+](C[C@@H]4CC=CCC4)C3)[nH]c(=O)c2C1 ZINC000257225792 556983513 /nfs/dbraw/zinc/98/35/13/556983513.db2.gz FHVUGNNLWAADPR-SJORKVTESA-N 1 0 435.594 1.882 40 0 IDABRO COCCn1nccc1C(=O)NC[C@@H]1CCC2(CC[NH+](Cc3cc(C)n[nH]3)CC2)CO1 ZINC000585101328 557034844 /nfs/dbraw/zinc/03/48/44/557034844.db2.gz YQXASRCSIDOBPE-IBGZPJMESA-N 1 0 430.553 1.752 40 0 IDABRO NC(=O)C1CCN(C(=O)[C@@H]2C[N@H+](Cc3cccc(OCCO)c3)CC23CCOCC3)CC1 ZINC000585101970 557035501 /nfs/dbraw/zinc/03/55/01/557035501.db2.gz NQXLIVYDDMJADM-NRFANRHFSA-N 1 0 445.560 1.010 40 0 IDABRO COc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](CCC(C)C)C[C@@H]23)cc1 ZINC000585106075 557039603 /nfs/dbraw/zinc/03/96/03/557039603.db2.gz IZPNWYGPJCYKQC-UXHICEINSA-N 1 0 435.590 1.942 40 0 IDABRO COc1ncc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NCCc3cn(C)cn3)C2)cc1C ZINC000585109153 557044311 /nfs/dbraw/zinc/04/43/11/557044311.db2.gz AXIXQBQOWKGWPX-NRSPTQNISA-N 1 0 427.549 1.718 40 0 IDABRO C[NH+]1CCN(CCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1 ZINC000022935203 557052607 /nfs/dbraw/zinc/05/26/07/557052607.db2.gz XFPNVCIPRMJDST-UHFFFAOYSA-N 1 0 428.986 1.492 40 0 IDABRO CN(C)C(=O)c1sc2nccnc2c1[C@@H]1CC[N@@H+](C2CCN(S(C)(=O)=O)CC2)C1 ZINC000585182355 557138474 /nfs/dbraw/zinc/13/84/74/557138474.db2.gz DVCYTDDHRIZQPM-CYBMUJFWSA-N 1 0 437.591 1.606 40 0 IDABRO COC(=O)C[C@@]12C(=O)NCC[N@H+]1[C@@H](c1ccccc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000216598096 557148920 /nfs/dbraw/zinc/14/89/20/557148920.db2.gz LDYIHPBPQXJLCA-MTXNFPGFSA-N 1 0 433.464 1.281 40 0 IDABRO CC(C)c1ccc(S(=O)(=O)N2CC[C@@]3(CC(C(=O)NCC[NH+]4CCCC4)=NO3)C2)cc1 ZINC000096225591 557184284 /nfs/dbraw/zinc/18/42/84/557184284.db2.gz NOYFLRMQDYDJFC-JOCHJYFZSA-N 1 0 448.589 1.932 40 0 IDABRO COc1ncccc1C[NH+]1CCC2(CC1)O[C@H](C(=O)NC[C@H]1CCCO1)Cn1ccnc12 ZINC000096243780 557187919 /nfs/dbraw/zinc/18/79/19/557187919.db2.gz HQOGRSZWJUJREE-MOPGFXCFSA-N 1 0 441.532 1.472 40 0 IDABRO C[NH+](C)CCN1[C@H]2CCN(C(=O)c3ccc[nH]3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096263971 557191711 /nfs/dbraw/zinc/19/17/11/557191711.db2.gz YTOJHEWETLJBDE-ROUUACIJSA-N 1 0 432.546 1.633 40 0 IDABRO C[NH+](C)CCN1[C@H]2CCN(C(=O)c3cnccn3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096263978 557191752 /nfs/dbraw/zinc/19/17/52/557191752.db2.gz VJZJXNVFGTXRFL-ROUUACIJSA-N 1 0 445.545 1.095 40 0 IDABRO COc1cccc(N2CCC(O)(C[N@@H+]3C[C@@H]4OCC(=O)N(C5CCOCC5)[C@H]4C3)CC2)c1 ZINC000585282287 557221557 /nfs/dbraw/zinc/22/15/57/557221557.db2.gz CSSOUSSUUUMNLS-VXKWHMMOSA-N 1 0 445.560 1.117 40 0 IDABRO CCOC(=O)N1CCC(O)(C[NH2+]C[C@]2(O)CCN(c3ccnc4cccnc43)C2)CC1 ZINC000585282805 557222086 /nfs/dbraw/zinc/22/20/86/557222086.db2.gz IABIGAPBNUBBMY-JOCHJYFZSA-N 1 0 429.521 1.144 40 0 IDABRO O=C(Cc1ccccc1)N1CC[C@@H](O)[C@](O)(C[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000585285645 557224988 /nfs/dbraw/zinc/22/49/88/557224988.db2.gz LMTDRSZLSSTORW-RSXGOPAZSA-N 1 0 437.584 1.808 40 0 IDABRO Cc1ccccc1OC1CC[NH+](C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)CC1 ZINC000585290214 557227304 /nfs/dbraw/zinc/22/73/04/557227304.db2.gz OQQSHQIRAHYIJK-PKTZIBPZSA-N 1 0 446.569 1.635 40 0 IDABRO COCC(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1C[NH+](C)C ZINC000057773616 557265338 /nfs/dbraw/zinc/26/53/38/557265338.db2.gz KMWATVARLMQEMD-NHCUHLMSSA-N 1 0 425.529 1.712 40 0 IDABRO COCC(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1C[NH+](C)C ZINC000057773617 557265506 /nfs/dbraw/zinc/26/55/06/557265506.db2.gz KMWATVARLMQEMD-LEWJYISDSA-N 1 0 425.529 1.712 40 0 IDABRO C[NH+]1CCN(CCCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)CC1 ZINC000022829396 557271008 /nfs/dbraw/zinc/27/10/08/557271008.db2.gz PKLWPIQHQBKTBD-UHFFFAOYSA-N 1 0 430.574 1.636 40 0 IDABRO Cc1cccc(N(CC(=O)NCCCN2CC[NH+](C)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000022829404 557271017 /nfs/dbraw/zinc/27/10/17/557271017.db2.gz FNIYBBBXZQVQQK-UHFFFAOYSA-N 1 0 444.601 1.944 40 0 IDABRO Cc1ccc(C(=O)NCCCN2CC[NH+](C)CC2)cc1S(=O)(=O)N1CCCCCC1 ZINC000022829867 557271028 /nfs/dbraw/zinc/27/10/28/557271028.db2.gz FRHDDXFPULUSQK-UHFFFAOYSA-N 1 0 436.622 1.927 40 0 IDABRO Cc1ccccc1N(CC(=O)NCCCN1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1 ZINC000022829400 557271066 /nfs/dbraw/zinc/27/10/66/557271066.db2.gz YFDPDTOOUYBZHT-UHFFFAOYSA-N 1 0 444.601 1.944 40 0 IDABRO C[NH+]1CCN(CCCNC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)CC1 ZINC000022829685 557271185 /nfs/dbraw/zinc/27/11/85/557271185.db2.gz UZYAZUZYAJLIQX-UHFFFAOYSA-N 1 0 437.393 1.513 40 0 IDABRO C[NH+]1CCN(CCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000022829459 557271177 /nfs/dbraw/zinc/27/11/77/557271177.db2.gz SHNVJEXXVSPABG-UHFFFAOYSA-N 1 0 448.564 1.775 40 0 IDABRO CC(C)N1CC[N@H+](CC2CC2)C[C@H]1c1nnc2ccc(C(=O)N3CCN(C)CC3)cn21 ZINC000107189625 557335995 /nfs/dbraw/zinc/33/59/95/557335995.db2.gz FACAXFZHRCCRFN-FQEVSTJZSA-N 1 0 425.581 1.594 40 0 IDABRO COc1ccc(CC(=O)N2CC[N@H+](Cc3ccccc3)C[C@](O)(Cn3cncn3)C2)cc1 ZINC000072354486 557387425 /nfs/dbraw/zinc/38/74/25/557387425.db2.gz TUWDRZPYNZNVNP-XMMPIXPASA-N 1 0 435.528 1.605 40 0 IDABRO CCOc1cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc(Cl)c1OCC(N)=O ZINC000016688340 557475466 /nfs/dbraw/zinc/47/54/66/557475466.db2.gz HARCFTPQMSJVEH-UHFFFAOYSA-N 1 0 441.937 1.583 40 0 IDABRO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)N3CC[NH+](CC)CC3)cc2c1 ZINC000020082365 557515238 /nfs/dbraw/zinc/51/52/38/557515238.db2.gz YIRKCVXVIRCUHZ-FQEVSTJZSA-N 1 0 425.537 1.450 40 0 IDABRO CN(c1ccc(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1)S(C)(=O)=O ZINC000223841862 557519634 /nfs/dbraw/zinc/51/96/34/557519634.db2.gz LFYHMFAEAFMNII-UHFFFAOYSA-N 1 0 432.546 1.852 40 0 IDABRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000225563914 557743037 /nfs/dbraw/zinc/74/30/37/557743037.db2.gz LFBAVNHOSNAQQW-UHFFFAOYSA-N 1 0 443.569 1.886 40 0 IDABRO O=S(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000005763573 562944648 /nfs/dbraw/zinc/94/46/48/562944648.db2.gz LODRYEJATFVXFB-KRWDZBQOSA-N 1 0 427.592 1.766 40 0 IDABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCN(Cc3ccc(OCCn4cccn4)cc3)C2)CC1 ZINC000585270001 568616707 /nfs/dbraw/zinc/61/67/07/568616707.db2.gz AIFUZQQJURRMDF-XMMPIXPASA-N 1 0 441.576 1.499 40 0 IDABRO CC(=O)N1CCN(C[C@@]2(O)CC[N@H+](Cc3ccc(OCCn4cccn4)cc3)C2)CC1 ZINC000585271310 568618159 /nfs/dbraw/zinc/61/81/59/568618159.db2.gz WAVKTEDGLGPJSH-QHCPKHFHSA-N 1 0 427.549 1.063 40 0 IDABRO C[NH+]1CCC(Cc2cccc(F)c2)(C(=O)NC[C@]2(O)CCN(c3cnccn3)C2)CC1 ZINC000257220617 568674587 /nfs/dbraw/zinc/67/45/87/568674587.db2.gz DLMJTDXAQBWWMP-HSZRJFAPSA-N 1 0 427.524 1.628 40 0 IDABRO Nc1ncnc2c1ncn2[C@@H]1CCCC[C@H](NC(=O)c2ccc(OCCC[NH3+])cc2)[C@H]1O ZINC000257237260 568682472 /nfs/dbraw/zinc/68/24/72/568682472.db2.gz HFTXEEHUODAHEC-YQVWRLOYSA-N 1 0 439.520 1.411 40 0 IDABRO COc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(OC)c3)[C@H](O)[C@H]2[N@H+](C)CCO)cc1 ZINC000257239095 568683554 /nfs/dbraw/zinc/68/35/54/568683554.db2.gz HNXXEPUHOPSKKQ-CZYKHXBRSA-N 1 0 430.501 1.307 40 0 IDABRO Cc1cn([C@H]2CN(C(=O)C3(Cc4ccccc4F)CC[NH+](C)CC3)C[C@@H]2O)c(=O)[nH]c1=O ZINC000257247781 568687638 /nfs/dbraw/zinc/68/76/38/568687638.db2.gz JAMFWMAGHMUTMV-OALUTQOASA-N 1 0 444.507 1.095 40 0 IDABRO Cc1cn([C@H]2CN(C(=O)c3ccc(OCC[NH+]4CCCCC4)cc3)C[C@@H]2O)c(=O)[nH]c1=O ZINC000257260742 568693621 /nfs/dbraw/zinc/69/36/21/568693621.db2.gz LEDNEFMXJSSPAE-PMACEKPBSA-N 1 0 442.516 1.180 40 0 IDABRO Cn1cc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H]([NH+]3CCC(O)CC3)CC2)cn1 ZINC000257277763 568701189 /nfs/dbraw/zinc/70/11/89/568701189.db2.gz NZGJZNANGPUVHI-FIXSFTCYSA-N 1 0 426.561 1.848 40 0 IDABRO CCOc1cc(C[N@@H+]2CCC[C@@]3(Cc4c([nH]c(=O)[nH]c4=O)O3)CC2)ccc1OCC(N)=O ZINC000257283173 568703542 /nfs/dbraw/zinc/70/35/42/568703542.db2.gz OXAOLSQCUVQEOD-QFIPXVFZSA-N 1 0 444.488 1.510 40 0 IDABRO Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccc(OCC[NH3+])cc3)C2)c2cnccc2n1 ZINC000257291254 568707428 /nfs/dbraw/zinc/70/74/28/568707428.db2.gz QGGNKNNZEFVCAZ-DEOSSOPVSA-N 1 0 435.528 1.989 40 0 IDABRO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)n1 ZINC000257334591 568726200 /nfs/dbraw/zinc/72/62/00/568726200.db2.gz YGPBMTOBZSLAGG-LJQANCHMSA-N 1 0 438.532 1.304 40 0 IDABRO CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)n1 ZINC000257334590 568726216 /nfs/dbraw/zinc/72/62/16/568726216.db2.gz YGPBMTOBZSLAGG-IBGZPJMESA-N 1 0 438.532 1.304 40 0 IDABRO Cc1ccc2nccc(N3CC[C@@](O)(CN(C)C(=O)c4cccc(OCC[NH3+])c4)C3)c2n1 ZINC000257340745 568728949 /nfs/dbraw/zinc/72/89/49/568728949.db2.gz ZHIZWJHLQQKHDJ-XMMPIXPASA-N 1 0 435.528 1.989 40 0 IDABRO CN(Cc1ccccn1)C(=O)[C@@H]1C[N@H+](CC2CC2)C[C@]2(CCN(C(=O)[C@H]3CCCO3)C2)O1 ZINC000306125544 568763994 /nfs/dbraw/zinc/76/39/94/568763994.db2.gz CTSJCSGIHQYAFO-DPLHUUCSSA-N 1 0 442.560 1.301 40 0 IDABRO O=c1c(=O)n(C2CCCC2)nc2n1C[C@@]1(CC[N@H+](Cc3ccc4c(c3)OCO4)C1)OC2 ZINC000306135762 568769184 /nfs/dbraw/zinc/76/91/84/568769184.db2.gz OZZRQLLLIMIQAU-QFIPXVFZSA-N 1 0 426.473 1.424 40 0 IDABRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)N1CC[C@]2(CCC1=O)Nc1cc(C)ccc1C(=O)N2 ZINC000248339224 569207626 /nfs/dbraw/zinc/20/76/26/569207626.db2.gz SJWMRANMENYLPN-HOOSLVGPSA-N 1 0 441.576 1.848 40 0 IDABRO COc1ccc(N(CC(=O)NCC[NH+](C)C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000010111544 569221177 /nfs/dbraw/zinc/22/11/77/569221177.db2.gz VXVUXOZZPUGGMR-UHFFFAOYSA-N 1 0 435.546 1.885 40 0 IDABRO CC(C)C[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(S(=O)(=O)c3ccccc3)C1)C2=O ZINC000019699789 569230907 /nfs/dbraw/zinc/23/09/07/569230907.db2.gz BVUJHONZTLMRRV-SFHVURJKSA-N 1 0 448.589 1.882 40 0 IDABRO O=C(C[NH+]1CCCCCC1)N1CCO[C@@H](c2c3cccnc3sc2C(=O)NCCO)C1 ZINC000019702958 569232636 /nfs/dbraw/zinc/23/26/36/569232636.db2.gz ZZFCLPCMMDOOBI-QGZVFWFLSA-N 1 0 446.573 1.794 40 0 IDABRO Cc1ccc2oc(=O)n(CC(=O)N(C)Cc3cc(N(C)C)nc([C@H]4CCC[NH2+]C4)n3)c2c1 ZINC000019709671 569234790 /nfs/dbraw/zinc/23/47/90/569234790.db2.gz OIECWDOOBGVDBB-INIZCTEOSA-N 1 0 438.532 1.885 40 0 IDABRO COC(=O)C[C@]12C(=O)NCC[N@H+]1[C@H](c1ccccc1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000019960819 569240214 /nfs/dbraw/zinc/24/02/14/569240214.db2.gz LDYIHPBPQXJLCA-KTIHBUSBSA-N 1 0 433.464 1.281 40 0 IDABRO CC(=O)N1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NC(=O)c5cnccn5)c43)C2)CC1 ZINC000008300423 291319692 /nfs/dbraw/zinc/31/96/92/291319692.db2.gz QMSPLPAIYWRCTD-DLBZAZTESA-N 1 0 436.516 1.321 40 0 biogenic,in-vitro IDABRO COc1ccccc1C[NH2+]C[C@H]1O[C@@H]2C[C@@H](CC(=O)N3CCC(F)(F)C3)O[C@@H]2[C@@H]1O ZINC000225518544 291325032 /nfs/dbraw/zinc/32/50/32/291325032.db2.gz TUJYZIIONNAISJ-UZKILMIQSA-N 1 0 426.460 1.328 40 0 biogenic,in-vitro IDABRO CC(C)OC[C@H](O)C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000022466049 519774236 /nfs/dbraw/zinc/77/42/36/519774236.db2.gz URFGECLXXFTFAZ-LJQANCHMSA-N 1 0 425.529 1.839 40 0 IDABRO CCOC(=O)C[C@@H]1CCN(C(=O)COc2ccccc2)C[C@@H]1CC[N@@H+]1CCC[C@H]1C(N)=O ZINC000020462793 520854280 /nfs/dbraw/zinc/85/42/80/520854280.db2.gz JLBLMISBOLMBLE-ZJOUEHCJSA-N 1 0 445.560 1.823 40 0 biogenic,in-vitro IDABRO CCOC(=O)C1=C(O)NC(N2CCN(C(=O)OCC)CC2)=[NH+][C@@H]1c1ccc(OC)cc1 ZINC000020636937 521092687 /nfs/dbraw/zinc/09/26/87/521092687.db2.gz AHZGAOYLXUFXBJ-DLBZAZTESA-N 1 0 432.477 1.176 40 0 IDABRO CN(C)c1ccc(C(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2[N@H+](C)CCc2ccccc2)cc1 ZINC000020465773 522149736 /nfs/dbraw/zinc/14/97/36/522149736.db2.gz BXHRPRORXMTHAC-WZYRSQIMSA-N 1 0 427.545 1.146 40 0 biogenic,in-vitro IDABRO COc1cc(C[NH2+]CCCSc2nnnn2-c2ccccc2)ccc1OCC(N)=O ZINC000022108871 522450211 /nfs/dbraw/zinc/45/02/11/522450211.db2.gz FEJZUYVAEDWNBM-UHFFFAOYSA-N 1 0 428.518 1.807 40 0 IDABRO COCCN1C(=O)[C@H]2[C@@H](Cc3c[nH]c4ccccc34)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O ZINC000020757627 523806914 /nfs/dbraw/zinc/80/69/14/523806914.db2.gz WDTCIIAPTUSGIT-IZZGNVEXSA-N 1 0 444.491 1.777 40 0 IDABRO C[C@@H](c1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@]21c2ccccc2NC1=O ZINC000035365991 526091702 /nfs/dbraw/zinc/09/17/02/526091702.db2.gz XKLVJEDXEYQMDS-TVUBOINASA-N 1 0 432.480 1.434 40 0 IDABRO NC(=O)C1CCN([C@H]2[C@@H]3OC[C@@H](O3)[C@@H]([NH2+]Cc3ccc(-c4ccccc4)cc3)[C@@H]2O)CC1 ZINC000020463883 526858149 /nfs/dbraw/zinc/85/81/49/526858149.db2.gz FZTQRIIDSYCUEZ-COWNTTACSA-N 1 0 437.540 1.494 40 0 biogenic,in-vitro IDABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)C1 ZINC000030867854 556512830 /nfs/dbraw/zinc/51/28/30/556512830.db2.gz XRLZFFGOGOSEFX-IAGOWNOFSA-N 1 0 428.574 1.923 40 0 IDABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)C1 ZINC000030867861 556512846 /nfs/dbraw/zinc/51/28/46/556512846.db2.gz XRLZFFGOGOSEFX-CALCHBBNSA-N 1 0 428.574 1.923 40 0 IDABRO C[NH+](C)CCCNC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O ZINC000013670147 556551013 /nfs/dbraw/zinc/55/10/13/556551013.db2.gz BIILSELLSWFVOP-UHFFFAOYSA-N 1 0 439.319 1.125 40 0 IDABRO CC(=O)N1CCC([N@@H+]2CCN3[C@H](CN(C(=O)c4ccc(Cl)cc4)C[C@@]3(C)CO)C2)CC1 ZINC000514289525 556623982 /nfs/dbraw/zinc/62/39/82/556623982.db2.gz NFVJDVQKKSFOBM-GMAHTHKFSA-N 1 0 448.995 1.544 40 0 biogenic,in-vitro IDABRO COc1ccccc1-c1c2c(ccn(CCCN3CC[NH+](C)CC3)c2=O)nc2ncnn21 ZINC000040398207 556640108 /nfs/dbraw/zinc/64/01/08/556640108.db2.gz GJUZSVFIXDUJNF-UHFFFAOYSA-N 1 0 433.516 1.752 40 0 IDABRO Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCCN3CC[NH+](C)CC3)CC2)cc1 ZINC000044847480 556669920 /nfs/dbraw/zinc/66/99/20/556669920.db2.gz AZWZYWBWEMZJKI-UHFFFAOYSA-N 1 0 436.622 1.291 40 0 IDABRO C[C@@H]([NH2+][C@@H]1CCS(=O)(=O)C1)C(=O)N(C)Cc1nc(C2CC2)ncc1-c1ccccn1 ZINC000019077445 556694877 /nfs/dbraw/zinc/69/48/77/556694877.db2.gz INQWAPWCJAPJKZ-GDBMZVCRSA-N 1 0 429.546 1.540 40 0 IDABRO CN1C[C@@H](C(=O)NC[C@]2(c3ccccc3)CC[C@@H](O)[C@H]([NH+]3CCOCC3)CC2)CC1=O ZINC000257321989 556704234 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IDABRO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccn3)CC2)=[NH+][C@@H]1c1ccc(OC)cc1 ZINC000010385681 556333887 /nfs/dbraw/zinc/33/38/87/556333887.db2.gz RHYJTRBEXXBVFB-WOJBJXKFSA-N 1 0 437.500 1.619 40 0 IDABRO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H]([NH2+]Cc3ccc(CO)o3)CN21)N1CCc2ccccc21 ZINC000022936729 556455124 /nfs/dbraw/zinc/45/51/24/556455124.db2.gz FRIAXLRMRSBFFT-SVMVAKDDSA-N 1 0 438.528 1.172 40 0 biogenic,in-vitro IDABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)C1 ZINC000030867870 556512849 /nfs/dbraw/zinc/51/28/49/556512849.db2.gz XRLZFFGOGOSEFX-IRXDYDNUSA-N 1 0 428.574 1.923 40 0 IDABRO O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4ccccc41)CC[C@@H]3O)[N@@H+](C1CCC1)C2 ZINC000514287668 556624438 /nfs/dbraw/zinc/62/44/38/556624438.db2.gz XBWHGJGOLIQYCD-VGRNTABGSA-N 1 0 443.544 1.219 40 0 IDABRO COC(=O)c1cccc(C(=O)N2C[C@@H]3C[C@@H](O)CN3C3(C[NH+](C4CCCCC4)C3)C2)c1 ZINC000514288753 556625114 /nfs/dbraw/zinc/62/51/14/556625114.db2.gz DORIBPHARVMBSB-LEWJYISDSA-N 1 0 427.545 1.751 40 0 biogenic,in-vitro IDABRO COC(=O)c1cccc(C(=O)N2CC3(C2)C[N@H+](CCc2ccccc2)C[C@H]2C[C@@H](O)CN23)c1 ZINC000514289252 556625516 /nfs/dbraw/zinc/62/55/16/556625516.db2.gz KIVJNPUTDGGUCK-DHIUTWEWSA-N 1 0 449.551 1.661 40 0 biogenic,in-vitro IDABRO C[C@@H]([NH2+][C@H]1CCS(=O)(=O)C1)C(=O)N(C)Cc1nc(C2CC2)ncc1-c1ccccn1 ZINC000019077455 556694933 /nfs/dbraw/zinc/69/49/33/556694933.db2.gz INQWAPWCJAPJKZ-ZBFHGGJFSA-N 1 0 429.546 1.540 40 0 IDABRO Cc1cc(N2CC[C@@](O)(C[NH2+]Cc3ccc(OCCCN4CCCC4=O)cc3)C2)ncn1 ZINC000257203677 556701611 /nfs/dbraw/zinc/70/16/11/556701611.db2.gz ARBVABCFIATGKZ-XMMPIXPASA-N 1 0 439.560 1.907 40 0 IDABRO Cn1nccc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC000257326378 556705235 /nfs/dbraw/zinc/70/52/35/556705235.db2.gz WWZOTXSQPDUGAI-SSPYTLHUSA-N 1 0 425.577 1.639 40 0 IDABRO CN1CCC[N@@H+]([C@H]2CCN(Cc3cc(C(C)(C)C)ccc3OCC(N)=O)CC[C@@H]2O)CC1 ZINC000257332889 556705897 /nfs/dbraw/zinc/70/58/97/556705897.db2.gz XZFJGBDULBAXAT-VXKWHMMOSA-N 1 0 446.636 1.811 40 0 IDABRO COCCOc1cc(C[N@@H+]2CCC[C@H]3OC[C@@H](NC(C)=O)[C@](C)(O)C[C@H]32)ccc1OC ZINC000257220331 556707530 /nfs/dbraw/zinc/70/75/30/556707530.db2.gz DKKLONUPHSDHFE-DAVBRLECSA-N 1 0 436.549 1.729 40 0 IDABRO CN1CC[NH+]([C@H]2CC[C@](CNC(=O)Cn3ccnc3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257257583 556712406 /nfs/dbraw/zinc/71/24/06/556712406.db2.gz KQGPRYXZOJRRBP-FIXSFTCYSA-N 1 0 425.577 1.488 40 0 IDABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCN(Cc3cccc(CN4CCOCC4)c3)C2)CC1 ZINC000257264530 556713111 /nfs/dbraw/zinc/71/31/11/556713111.db2.gz LUVXQJNTLOLYKN-DEOSSOPVSA-N 1 0 430.593 1.056 40 0 IDABRO O=C(COc1ccc(C[NH+]2CCCC2)cc1)NC[C@]1(O)CCCN(c2cnccn2)C1 ZINC000257279728 556714940 /nfs/dbraw/zinc/71/49/40/556714940.db2.gz OHXSOSOBYZGKQR-HSZRJFAPSA-N 1 0 425.533 1.599 40 0 IDABRO Cc1ccc2oc(=O)n(CC(=O)N3CCC[C@H](c4nc5c(c(=O)[nH]4)C[N@H+](C)CC5)C3)c2c1 ZINC000019221423 556715784 /nfs/dbraw/zinc/71/57/84/556715784.db2.gz ANKXLUMADPDLGT-HNNXBMFYSA-N 1 0 437.500 1.380 40 0 IDABRO CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]([NH2+]Cc2cccc(CN3CCOCC3)c2)[C@H](O)C1 ZINC000257289803 556715949 /nfs/dbraw/zinc/71/59/49/556715949.db2.gz QAGNSCJDTXBIIR-NJDAHSKKSA-N 1 0 435.565 1.340 40 0 IDABRO COc1cc(CN2CC[C@](O)(C[NH+]3CCN(c4ccccc4)CC3)C2)ccc1OCCO ZINC000257290675 556715970 /nfs/dbraw/zinc/71/59/70/556715970.db2.gz QDWSPZDRRIOMKL-VWLOTQADSA-N 1 0 441.572 1.825 40 0 IDABRO C[N@H+](Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@@]1(O)CCN(c2ccccn2)C1 ZINC000257297427 556716940 /nfs/dbraw/zinc/71/69/40/556716940.db2.gz RHFDHPWYABPTAU-DEOSSOPVSA-N 1 0 440.544 1.392 40 0 IDABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCN(Cc3ccc(OCc4nccn4C)cc3)C2)CC1 ZINC000257307920 556718203 /nfs/dbraw/zinc/71/82/03/556718203.db2.gz TUSQTYZGLAWCAY-XMMPIXPASA-N 1 0 441.576 1.536 40 0 IDABRO COc1ccc([C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 ZINC000019285460 556727523 /nfs/dbraw/zinc/72/75/23/556727523.db2.gz IUTYZXNRQHVAQO-ORYQWCPZSA-N 1 0 440.544 1.765 40 0 IDABRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC(c2cc3nc(N(C)C)ncc3c(=O)[nH]2)CC1 ZINC000019456242 556765595 /nfs/dbraw/zinc/76/55/95/556765595.db2.gz SCDHZEZXSSBWID-OAHLLOKOSA-N 1 0 428.537 1.058 40 0 IDABRO CCC[NH+]1CCN(C(=O)CN2CC[C@@]3(CCC2=O)Nc2ccc(Cl)cc2C(=O)N3)CC1 ZINC000019503395 556775062 /nfs/dbraw/zinc/77/50/62/556775062.db2.gz QFNGGBNTISENMQ-QFIPXVFZSA-N 1 0 447.967 1.758 40 0 IDABRO CCS(=O)(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccc(OC)cc2)CC3)C1 ZINC000019520256 556776088 /nfs/dbraw/zinc/77/60/88/556776088.db2.gz OGGWXFQSGQMBEW-INIZCTEOSA-N 1 0 432.546 1.888 40 0 IDABRO CCOC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 ZINC000019530598 556791389 /nfs/dbraw/zinc/79/13/89/556791389.db2.gz WFLFNNVOUSSOAL-KRWDZBQOSA-N 1 0 431.537 1.060 40 0 IDABRO CCOCCN1CCN(C(=O)C[NH+]2CCC(c3cc(=O)n4c(n3)CCCCC4)CC2)CC1 ZINC000019531068 556791593 /nfs/dbraw/zinc/79/15/93/556791593.db2.gz CZXMWMFLLVZEFG-UHFFFAOYSA-N 1 0 445.608 1.330 40 0 IDABRO Cc1c(S(=O)(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)cnn1C ZINC000019553931 556797525 /nfs/dbraw/zinc/79/75/25/556797525.db2.gz YMEJVIXHIDRRHW-KRWDZBQOSA-N 1 0 434.566 1.907 40 0 IDABRO Cc1sc2ncn(CC3(O)CCN(C(=O)[C@@H](C)C[NH+]4CCOCC4)CC3)c(=O)c2c1C ZINC000019561289 556802468 /nfs/dbraw/zinc/80/24/68/556802468.db2.gz JQMKILZNOJWZPL-HNNXBMFYSA-N 1 0 448.589 1.397 40 0 IDABRO COc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCCN4S(=O)(=O)N(C)C)[nH]c(=O)c3C2)cc1 ZINC000019583689 556821030 /nfs/dbraw/zinc/82/10/30/556821030.db2.gz JUNCIMXXSAZTPB-IBGZPJMESA-N 1 0 447.561 1.692 40 0 IDABRO CCC(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)C[N@@H+]3CCCC[C@@H]3C)C1)C2=O ZINC000019699749 556859702 /nfs/dbraw/zinc/85/97/02/556859702.db2.gz GDJHDJXXQZMCPA-ROUUACIJSA-N 1 0 447.580 1.175 40 0 IDABRO CCC[NH+]1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)Cc3c(C)n[nH]c3C)CC1)C2=O ZINC000019700690 556860270 /nfs/dbraw/zinc/86/02/70/556860270.db2.gz JOUWHHQFDNXRAB-UHFFFAOYSA-N 1 0 444.580 1.604 40 0 IDABRO CNc1nc([C@@H]2CCCN(S(=O)(=O)c3cc(F)ccc3OC)C2)nc2c1C[NH2+]CC2 ZINC000019710578 556874027 /nfs/dbraw/zinc/87/40/27/556874027.db2.gz ZPVGOUBWFSYPFA-CYBMUJFWSA-N 1 0 435.525 1.880 40 0 IDABRO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCc2c(=O)[nH]c(N3CCOCC3)nc2C1 ZINC000072346915 556918032 /nfs/dbraw/zinc/91/80/32/556918032.db2.gz WUGSOKQARWZVLH-UHFFFAOYSA-N 1 0 437.544 1.791 40 0 IDABRO O=C(Cn1ccc(=O)[nH]c1=O)NC1CC[NH+](CC2(c3cccc(F)c3)CCCC2)CC1 ZINC000072393442 556964758 /nfs/dbraw/zinc/96/47/58/556964758.db2.gz DGYXGWQGBBQSTH-UHFFFAOYSA-N 1 0 428.508 1.768 40 0 IDABRO O=C(C[N@@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000257205697 556980080 /nfs/dbraw/zinc/98/00/80/556980080.db2.gz BAFYVYMMJBKAMP-VQTJNVASSA-N 1 0 443.592 1.082 40 0 IDABRO O=C(NCC1CCOCC1)[C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccnc(N3CCOCC3)c2)C1 ZINC000585108749 557044401 /nfs/dbraw/zinc/04/44/01/557044401.db2.gz VAFSTHKDOWCKGA-BHDDXSALSA-N 1 0 444.576 1.440 40 0 IDABRO COc1ccc(N([C@H](C)C(=O)NCCCN2CC[NH+](C)CC2)S(C)(=O)=O)cc1Cl ZINC000022934921 557052095 /nfs/dbraw/zinc/05/20/95/557052095.db2.gz YSRZUINKKYPTMH-OAHLLOKOSA-N 1 0 447.001 1.257 40 0 IDABRO Cn1cc(C[N@@H+]2C[C@@H]3CN(Cc4ccoc4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 ZINC000096056187 557167415 /nfs/dbraw/zinc/16/74/15/557167415.db2.gz ATGOJXBQLLBZRT-GMAHTHKFSA-N 1 0 427.549 1.586 40 0 IDABRO CNC(=O)CN1CC2(CC[NH+](Cc3ccoc3)CC2)COc2ccccc2S1(=O)=O ZINC000096062654 557167914 /nfs/dbraw/zinc/16/79/14/557167914.db2.gz QEBKNSBHYCXCED-UHFFFAOYSA-N 1 0 433.530 1.691 40 0 IDABRO COCC[N@@H+]1C[C@@H]2C(=O)N(C)C3(CCN(S(=O)(=O)c4ccc(F)cc4)CC3)[C@@H]2C1 ZINC000096143546 557170504 /nfs/dbraw/zinc/17/05/04/557170504.db2.gz CROFWCJWDBGNDM-ZWKOTPCHSA-N 1 0 425.526 1.015 40 0 IDABRO COc1ccc(S(=O)(=O)N2CCC3(CC[C@@]4(C(=O)N(C)C)C[N@H+](C)C[C@@H]34)CC2)cc1 ZINC000096143848 557171063 /nfs/dbraw/zinc/17/10/63/557171063.db2.gz ANVSFKCYBCCXLU-SIKLNZKXSA-N 1 0 435.590 1.896 40 0 IDABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]CCNC(=O)c3nonc3N)o2)c1 ZINC000022108536 557177946 /nfs/dbraw/zinc/17/79/46/557177946.db2.gz NZRZSTAKOYYXJG-UHFFFAOYSA-N 1 0 443.416 1.005 40 0 IDABRO C[NH+](C)C1CCN(C(=O)C2=NO[C@@]3(CCN(S(=O)(=O)c4cccs4)C3)C2)CC1 ZINC000096225675 557184635 /nfs/dbraw/zinc/18/46/35/557184635.db2.gz JCMHIWBXRIEYPZ-SFHVURJKSA-N 1 0 426.564 1.210 40 0 IDABRO C[NH+](C)CCN1[C@H]2CCN(C(=O)[C@H]3CCCO3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096263972 557191703 /nfs/dbraw/zinc/19/17/03/557191703.db2.gz QKNYXJCNXMFSEF-JENIJYKNSA-N 1 0 437.562 1.170 40 0 IDABRO COc1ccc(OC)c(N(CC(=O)NCCC[NH+]2CCCCCC2)S(C)(=O)=O)c1 ZINC000010111170 557203777 /nfs/dbraw/zinc/20/37/77/557203777.db2.gz BEVWSIUCDKADOU-UHFFFAOYSA-N 1 0 427.567 1.852 40 0 IDABRO C[NH+](C)CCCNC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 ZINC000010111465 557204033 /nfs/dbraw/zinc/20/40/33/557204033.db2.gz XYSWJDNJYJCCFX-UHFFFAOYSA-N 1 0 433.530 1.721 40 0 IDABRO COc1cc(C[NH2+]C[C@]2(O)CCN(c3ccccn3)C2)ccc1OCCN1CCOCC1 ZINC000585274180 557218360 /nfs/dbraw/zinc/21/83/60/557218360.db2.gz UFZXAWXIXYCKNE-XMMPIXPASA-N 1 0 442.560 1.532 40 0 IDABRO O=S(=O)(c1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000585283095 557222410 /nfs/dbraw/zinc/22/24/10/557222410.db2.gz BOWDDDZBQVWPMJ-RBUKOAKNSA-N 1 0 444.475 1.982 40 0 IDABRO CCOC(=O)N1CCC(O)(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)CC1 ZINC000585284351 557224167 /nfs/dbraw/zinc/22/41/67/557224167.db2.gz XBPVXFKBHCAWON-RXVVDRJESA-N 1 0 442.940 1.500 40 0 IDABRO O=C(Cc1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(C[NH2+]CCc2ccc3c(c2)OCO3)C1 ZINC000585285253 557225009 /nfs/dbraw/zinc/22/50/09/557225009.db2.gz PTYJAZUOUCGCQX-JTHBVZDNSA-N 1 0 446.931 1.768 40 0 IDABRO O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000585290578 557227848 /nfs/dbraw/zinc/22/78/48/557227848.db2.gz CXWDUXDQVXRJQR-RTWAWAEBSA-N 1 0 447.488 1.367 40 0 IDABRO O=S(=O)(c1ccccc1)N1CC[C@@H](O)[C@](O)(C[NH2+]CCc2c[nH]c3ccccc23)C1 ZINC000585290684 557227873 /nfs/dbraw/zinc/22/78/73/557227873.db2.gz SZMDXPQQHUNGLK-YADHBBJMSA-N 1 0 429.542 1.487 40 0 IDABRO O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(C[NH2+]CCc2ccc3c(c2)OCO3)C1 ZINC000585291827 557229345 /nfs/dbraw/zinc/22/93/45/557229345.db2.gz TYNIZDPSSIVJOQ-IRLDBZIGSA-N 1 0 432.904 1.378 40 0 IDABRO O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]CCSc2c[nH]c3ccccc23)C1 ZINC000585292142 557230417 /nfs/dbraw/zinc/23/04/17/557230417.db2.gz XBAOAYFZJUSONT-RTWAWAEBSA-N 1 0 447.582 1.646 40 0 IDABRO Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCCCN1CC[NH+](C)CC1)S(C)(=O)=O ZINC000022829894 557271217 /nfs/dbraw/zinc/27/12/17/557271217.db2.gz LUHFSLGBDLVPPT-MRXNPFEDSA-N 1 0 431.002 1.557 40 0 IDABRO CC[NH+]1CCN([C@H](c2nnnn2C(C)(C)C)c2cc3cc4c(cc3[nH]c2=O)OCO4)CC1 ZINC000019973379 557511713 /nfs/dbraw/zinc/51/17/13/557511713.db2.gz BODHQKZWRCTZIK-IBGZPJMESA-N 1 0 439.520 1.725 40 0 IDABRO CS(=O)(=O)Nc1ccc(CC[NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000026249181 563029931 /nfs/dbraw/zinc/02/99/31/563029931.db2.gz JITIJIUDNAYXKK-UHFFFAOYSA-N 1 0 427.548 1.641 40 0 IDABRO Cc1cc(N2CC[C@@](O)(C[N@H+](C)Cc3ccc(OCCN4CCOCC4)cc3)C2)ncn1 ZINC000585271647 568616737 /nfs/dbraw/zinc/61/67/37/568616737.db2.gz GKALAPXXBNZOPU-XMMPIXPASA-N 1 0 441.576 1.569 40 0 IDABRO CCOc1cc(C[N@@H+]2CC[C@@](O)(CN3CCOCC3)C2)ccc1OCCN1CCOCC1 ZINC000585270880 568617698 /nfs/dbraw/zinc/61/76/98/568617698.db2.gz CAVGYPBLPWQSJB-XMMPIXPASA-N 1 0 449.592 1.065 40 0 IDABRO Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CN1CC[C@@](O)(C[NH+]2CCN(C)CC2)C1 ZINC000257204119 568667002 /nfs/dbraw/zinc/66/70/02/568667002.db2.gz ATCTXEOXVKGTIP-XMMPIXPASA-N 1 0 440.592 1.171 40 0 IDABRO COc1ccc(CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2c2cccc(CNC(=O)CO)c2)cc1 ZINC000257282080 568702978 /nfs/dbraw/zinc/70/29/78/568702978.db2.gz OSGHYQRHDKZVJY-VXKWHMMOSA-N 1 0 425.529 1.308 40 0 IDABRO C[NH2+]CCOc1cccc(C(=O)N(C)C[C@@]2(O)CCN(c3ccnc4cccnc43)C2)c1 ZINC000257308777 568714923 /nfs/dbraw/zinc/71/49/23/568714923.db2.gz TYBGYPAAWYGJJT-DEOSSOPVSA-N 1 0 435.528 1.941 40 0 IDABRO NC(=O)[C@@]1(c2ccccn2)CCC[N@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000257314217 568717320 /nfs/dbraw/zinc/71/73/20/568717320.db2.gz UVVXJUONXAFNHN-QHCPKHFHSA-N 1 0 425.508 1.388 40 0 IDABRO CNc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3cccc(OCC[NH+](C)C)c3)C2)ncn1 ZINC000257328131 568723320 /nfs/dbraw/zinc/72/33/20/568723320.db2.gz XEHPRCPAJALFBE-HSZRJFAPSA-N 1 0 442.564 1.562 40 0 IDABRO Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CC[N@H+](Cc3scnc3C)C2)cs1 ZINC000306124880 568763555 /nfs/dbraw/zinc/76/35/55/568763555.db2.gz CBGPOTYAAVWICK-IBGZPJMESA-N 1 0 430.559 1.531 40 0 IDABRO CN(Cc1ccccn1)C(=O)[C@@H]1C[N@H+](CC2CC2)C[C@]2(CCN(C(=O)[C@@H]3CCCO3)C2)O1 ZINC000306125545 568764010 /nfs/dbraw/zinc/76/40/10/568764010.db2.gz CTSJCSGIHQYAFO-HFMPRLQTSA-N 1 0 442.560 1.301 40 0 IDABRO C[NH+](C)CCNC(=O)[C@H]1CC[C@@H]2CN(Cc3cccnc3)S(=O)(=O)c3ccccc3N21 ZINC000306132878 568767303 /nfs/dbraw/zinc/76/73/03/568767303.db2.gz LVEIUBZZSWTZHG-UYAOXDASSA-N 1 0 443.573 1.301 40 0 IDABRO 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