smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]([C@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC[C@@H](C)C[N@@H+]1C ZINC000255260714 291392655 /nfs/dbraw/zinc/39/26/55/291392655.db2.gz QFHXSIDXKCKLAC-PPCQHUCNSA-N 1 0 429.689 5.264 1 0 IKAFRO O=C(CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Cl)cc1Cl ZINC000028647002 132225978 /nfs/dbraw/zinc/22/59/78/132225978.db2.gz GUIKIIGNEJCFOI-UHFFFAOYSA-N 1 0 426.775 5.188 1 0 IKAFRO Clc1ccc([C@H](Cc2ccccc2)c2c(Cl)nc(N3CC[NH2+]CC3)nc2Cl)cc1 ZINC000001654583 132246174 /nfs/dbraw/zinc/24/61/74/132246174.db2.gz BTPBUQKJMHWWNF-SFHVURJKSA-N 1 0 447.797 5.221 1 0 IKAFRO CC(C)(C)[C@H]1CCCC2=C1[NH2+]N(c1nc(-c3ccc(F)cc3)cs1)[C@]2(O)C(F)(F)F ZINC000035999491 518976370 /nfs/dbraw/zinc/97/63/70/518976370.db2.gz KKBBMOZXYZHLCD-BXTJHSDWSA-N 1 0 441.494 5.839 2 0 IKAFRO COc1cccc(-c2cnc(-c3ccncc3)nc2C2CC[NH+](Cc3ccco3)CC2)c1 ZINC000012148749 525715048 /nfs/dbraw/zinc/71/50/48/525715048.db2.gz UQDQMNVXRABRSU-UHFFFAOYSA-N 1 0 426.520 5.187 1 0 IKAFRO Fc1ccc(C(OCC[NH+]2CCN(C/C=C\c3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000022812816 526326483 /nfs/dbraw/zinc/32/64/83/526326483.db2.gz DASHZBBQOARCMQ-DAXSKMNVSA-N 1 0 448.557 5.402 1 0 IKAFRO O=C(c1cc(-c2ccccc2)c(N2CCCCC2)s1)N1CCC([NH+]2CCCCC2)CC1 ZINC000020597680 526590527 /nfs/dbraw/zinc/59/05/27/526590527.db2.gz FXOSMKINNWAIMF-UHFFFAOYSA-N 1 0 437.653 5.496 1 0 IKAFRO CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)C[n+]1c2ccccc2n(C)c1COc1ccccc1 ZINC000003878734 555950574 /nfs/dbraw/zinc/95/05/74/555950574.db2.gz HACNGQQLOZYIEB-UWDQQESISA-N 1 0 435.588 5.049 1 0 IKAFRO CC(=O)CCCCCCCCCC[C@H]1CC[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H](C)[NH2+]1 ZINC000208003230 560044299 /nfs/dbraw/zinc/04/42/99/560044299.db2.gz DYQQVJOMOHCUIP-XNITYEHGSA-N 1 0 443.628 5.948 1 0 biogenic,in-vitro IKAFRO C[C@@H]([C@@H]1CC[C@H]2[C@H](C[C@@H]3[C@H]2CC(=O)[C@@H]2C[C@@H](O)CC[C@]32C)[C@H]1C)[C@H]1CC[C@H](C)C[N@@H+]1C ZINC000070454192 560048458 /nfs/dbraw/zinc/04/84/58/560048458.db2.gz UBMXONPUBFQLKA-GXMPBRITSA-N 1 0 429.689 5.408 1 0 biogenic,in-vitro IKAFRO CCCCC[C@H]1C[C@H]2[C@H]([NH2+]C)[C@@H]3CC[C@@]45[C@@H](O)C[C@]6(C)CCC[C@@](O)(C6)[C@@]4(C[C@@]25C1)C3 ZINC000085547525 560072335 /nfs/dbraw/zinc/07/23/35/560072335.db2.gz WATQMGWBXQSJKU-AUGCUXKKSA-N 1 0 429.689 5.434 1 0 biogenic,in-vitro IKAFRO O=C(NCCCC[N@@H+]1CCN2c3ccccc3CC[C@H]2C1)c1ccc(-c2ccccc2)cc1 ZINC000001554009 562922928 /nfs/dbraw/zinc/92/29/28/562922928.db2.gz VPTSFCYJNNWWFV-MHZLTWQESA-N 1 0 439.603 5.001 1 0 IKAFRO COc1ccc2c(c1)OC[C@H](c1ccccc1)[C@H]2c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000001719403 562924478 /nfs/dbraw/zinc/92/44/78/562924478.db2.gz SKXCQODDFFKXHF-IAPPQJPRSA-N 1 0 429.560 5.478 1 0 IKAFRO COc1ccc2c(c1)oc(=O)c(Oc1ccccc1)c2-c1ccc(OCC[NH+](C)C)cc1 ZINC000001861385 562925082 /nfs/dbraw/zinc/92/50/82/562925082.db2.gz TYQNNJLZHAAOEJ-UHFFFAOYSA-N 1 0 431.488 5.201 1 0 IKAFRO [NH3+]CCCCCCn1c(-c2ccc(Br)cc2)cs/c1=N\c1ccccc1 ZINC000001862662 562925095 /nfs/dbraw/zinc/92/50/95/562925095.db2.gz NZNKNPKXEPEFJB-FLFQWRMESA-N 1 0 430.415 5.731 1 0 IKAFRO COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCC[NH+]1CCCCC1 ZINC000001893563 562925210 /nfs/dbraw/zinc/92/52/10/562925210.db2.gz IFIRBZOPPUFQRQ-UHFFFAOYSA-N 1 0 444.938 5.429 1 0 IKAFRO CC[NH+](CC)CCCOc1cc2c(cc1OC)ncnc2Nc1ccc(F)c(Cl)c1 ZINC000001893557 562925230 /nfs/dbraw/zinc/92/52/30/562925230.db2.gz JJKSOLDGGFGXJF-UHFFFAOYSA-N 1 0 432.927 5.285 1 0 IKAFRO COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCC[NH+]1CCCC1 ZINC000001893558 562925241 /nfs/dbraw/zinc/92/52/41/562925241.db2.gz XGPAXWVNLWKLEF-UHFFFAOYSA-N 1 0 430.911 5.039 1 0 IKAFRO Cc1ccccc1Nc1nc2c(OCCC[NH+](C)C)cccc2c(N(C)c2ccccc2)n1 ZINC000001905559 562925399 /nfs/dbraw/zinc/92/53/99/562925399.db2.gz FRHSYTCOOHFFOX-UHFFFAOYSA-N 1 0 441.579 5.780 1 0 IKAFRO CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC[NH2+]C1CC1 ZINC000003781591 562937821 /nfs/dbraw/zinc/93/78/21/562937821.db2.gz AWTJYTFLSJBJTO-CQNOQWDGSA-N 1 0 425.745 9.391 1 0 in-vivo IKAFRO COc1cc(CO[C@@H]2C3CC[NH+](CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc(OC)c1 ZINC000003780982 562937829 /nfs/dbraw/zinc/93/78/29/562937829.db2.gz DCAGUAUHSOJEOX-URLMMPGGSA-N 1 0 443.587 5.515 1 0 IKAFRO COc1cccc(C[NH+]2CCC(N3C(=O)Nc4ccccc4[C@H]3c3ccccc3)CC2)c1 ZINC000003809436 562938383 /nfs/dbraw/zinc/93/83/83/562938383.db2.gz UYHOJKWVMNWOSQ-AREMUKBSSA-N 1 0 427.548 5.297 1 0 IKAFRO c1ccc2c(c1)sc1c2[C@@H](c2ccc(OCC[NH+]3CCCCC3)cc2)Oc2ccccc2-1 ZINC000003951500 562939880 /nfs/dbraw/zinc/93/98/80/562939880.db2.gz LJHYLRJDWMLYMC-HHHXNRCGSA-N 1 0 441.596 6.915 1 0 IKAFRO Oc1ccc2c(c1)OC[C@H](c1ccccc1)[C@@H]2c1ccc(SCC[NH+]2CCCC2)cc1 ZINC000003965077 562940158 /nfs/dbraw/zinc/94/01/58/562940158.db2.gz MVLCAJYSCDCLPF-XNMGPUDCSA-N 1 0 431.601 5.888 1 0 IKAFRO O=C(Oc1ccccc1)N1CCC[C@@]2(CC[N@@H+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC000004238008 562942751 /nfs/dbraw/zinc/94/27/51/562942751.db2.gz XFKNUZBFUHHDQU-NDEPHWFRSA-N 1 0 426.560 5.763 1 0 IKAFRO Cn1cccc1C(=O)N1CCC2(CC1)CC[NH+](C(c1ccccc1)c1ccccc1)CC2 ZINC000004238117 562942753 /nfs/dbraw/zinc/94/27/53/562942753.db2.gz ZHZDOFGJVXQUCG-UHFFFAOYSA-N 1 0 427.592 5.133 1 0 IKAFRO Cc1ccn2c(c1)nc(-c1ccccc1OC(=O)CC(C)C)c2NC(C)(C)CC(C)(C)C ZINC000004382637 562943161 /nfs/dbraw/zinc/94/31/61/562943161.db2.gz DDZSEQCOKKELBE-UHFFFAOYSA-N 1 0 435.612 6.888 1 0 IKAFRO CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@H](CO)[N@H+](C)CC/C=C(\C)CCC=C(C)C ZINC000005854010 562945274 /nfs/dbraw/zinc/94/52/74/562945274.db2.gz AASSGPJLRRBDET-GUZCVRBVSA-N 1 0 429.733 8.171 1 0 IKAFRO FC(F)(F)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)n2C[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000005596651 562944353 /nfs/dbraw/zinc/94/43/53/562944353.db2.gz WKYZJMVWIWKDNY-UTKZUKDTSA-N 1 0 447.932 6.640 1 0 IKAFRO Oc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000005596655 562944362 /nfs/dbraw/zinc/94/43/62/562944362.db2.gz OUSCXVGRSXJTRW-UTKZUKDTSA-N 1 0 429.486 5.692 1 0 IKAFRO Cc1nc2c(nc(-c3ccccc3)n2CC(C)(C)C[NH+](C)C)c(NCc2ccccc2)n1 ZINC000007991830 562948695 /nfs/dbraw/zinc/94/86/95/562948695.db2.gz FHICUNUYPYMYTN-UHFFFAOYSA-N 1 0 428.584 5.002 1 0 IKAFRO CCCn1c2nc(C)nc(N[C@H](C)CCC[NH+](CC)CC)c2nc1-c1ccc(F)cc1 ZINC000007991774 562948696 /nfs/dbraw/zinc/94/86/96/562948696.db2.gz OVFPZSJJEOMGTF-QGZVFWFLSA-N 1 0 426.584 5.273 1 0 IKAFRO CCCn1c(-c2ccc(F)cc2)nc2c1nc(C)nc2N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000008017219 562948840 /nfs/dbraw/zinc/94/88/40/562948840.db2.gz NVWOKJJKHBGSCM-JOCHJYFZSA-N 1 0 444.558 5.037 1 0 IKAFRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2c(s1)c1cc(C)ccc1nc2Cl ZINC000008599654 562954771 /nfs/dbraw/zinc/95/47/71/562954771.db2.gz PBUWPLYVSGCGAR-INIZCTEOSA-N 1 0 430.017 5.796 1 0 IKAFRO O=C(Nc1cc(Cl)cc(Cl)c1)c1cnn(-c2ccc(F)cc2)c1C1CC[NH2+]CC1 ZINC000009639141 562974654 /nfs/dbraw/zinc/97/46/54/562974654.db2.gz FYCBNEHDYGVTFP-UHFFFAOYSA-N 1 0 433.314 5.038 1 0 IKAFRO Cn1cc(C[NH+]2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)c2ccccc21 ZINC000011668183 562978980 /nfs/dbraw/zinc/97/89/80/562978980.db2.gz FBPORJVPTDCLFE-UHFFFAOYSA-N 1 0 447.970 5.118 3 0 IKAFRO O=C(NC1CCCC1)c1ccc(N2CCC([NH2+]Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000012246835 562980959 /nfs/dbraw/zinc/98/09/59/562980959.db2.gz HTVRCTNPJQRBFZ-UHFFFAOYSA-N 1 0 445.529 5.136 1 0 IKAFRO O=C(c1ccc(OC2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1)N1CCCCC1 ZINC000012581909 562982830 /nfs/dbraw/zinc/98/28/30/562982830.db2.gz CRTUMBBZOVKQQY-UHFFFAOYSA-N 1 0 446.513 5.375 3 0 IKAFRO c1c(-c2ccccc2)noc1N(CCC[NH+]1CCCCC1)Cc1ccc2ccccc2c1 ZINC000013437431 562986063 /nfs/dbraw/zinc/98/60/63/562986063.db2.gz MMUIAZULWQQRKI-UHFFFAOYSA-N 1 0 425.576 6.377 1 0 IKAFRO Cc1c(COc2cccc(F)c2F)oc2cccc(OCCC[NH2+]Cc3cccnc3)c12 ZINC000013438507 562986087 /nfs/dbraw/zinc/98/60/87/562986087.db2.gz TTWYRLBZSORCIS-UHFFFAOYSA-N 1 0 438.474 5.552 1 0 IKAFRO c1c(-c2ccccc2)noc1N(CCC[NH+]1CCCCCC1)Cc1cccc2ccccc21 ZINC000013437464 562986090 /nfs/dbraw/zinc/98/60/90/562986090.db2.gz BZEDPXCOJQWJKA-UHFFFAOYSA-N 1 0 439.603 6.768 1 0 IKAFRO c1ccc([C@@H]2[C@@H](C[NH+]3CCC(c4ccccc4)CC3)CN3OC4(C[C@@H]23)CCCCC4)cc1 ZINC000013439130 562986150 /nfs/dbraw/zinc/98/61/50/562986150.db2.gz GGVXVASTOBIZMI-HZFUHODCSA-N 1 0 430.636 5.988 1 0 IKAFRO CSc1ccc(Cl)c(NC(=[NH2+])N(C)c2cccc(I)c2)c1 ZINC000013442570 562986583 /nfs/dbraw/zinc/98/65/83/562986583.db2.gz JXZXUBTXFUTIGN-UHFFFAOYSA-N 1 0 431.730 5.150 1 0 IKAFRO CSc1ccc([C@@H](C[NH+]2CCCC2)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000013446444 562986975 /nfs/dbraw/zinc/98/69/75/562986975.db2.gz BHKMFILYWFYRAV-OAQYLSRUSA-N 1 0 437.436 5.553 1 0 IKAFRO CC[NH+](CC)CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3ccccc23)cc1 ZINC000013451417 562987385 /nfs/dbraw/zinc/98/73/85/562987385.db2.gz ZOVYEGQWXPIAQZ-UHFFFAOYSA-N 1 0 428.598 5.006 1 0 IKAFRO COc1cccc(OC)c1OCC[NH2+]C[C@H]1C[C@H](c2ccccc2)c2ccccc2S1 ZINC000013473089 562988171 /nfs/dbraw/zinc/98/81/71/562988171.db2.gz JGLLHUJRQIQLNY-IFMALSPDSA-N 1 0 435.589 5.369 1 0 IKAFRO CC(=O)C1(c2ccccc2)CC[NH+](CCCC[C@]23CCCc4cccc(c42)NC3=O)CC1 ZINC000013473708 562988428 /nfs/dbraw/zinc/98/84/28/562988428.db2.gz XHJNHSYVMPSXGH-NDEPHWFRSA-N 1 0 430.592 5.006 1 0 IKAFRO CCN(CC)c1cccc(Oc2nc(Oc3cccc(C(N)=[NH2+])c3)c(F)c(C)c2F)c1 ZINC000013474015 562988605 /nfs/dbraw/zinc/98/86/05/562988605.db2.gz QLNHHOTXGCZZGM-UHFFFAOYSA-N 1 0 426.467 5.383 1 0 IKAFRO O=C(Nc1ccc2n[nH]cc2c1)Nc1ccccc1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000013475750 562988966 /nfs/dbraw/zinc/98/89/66/562988966.db2.gz HOSIRHWCFKBJCG-UHFFFAOYSA-N 1 0 439.563 5.662 1 0 IKAFRO O=C(Nc1ccc2c[nH]nc2c1)Nc1ccccc1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000013475752 562988999 /nfs/dbraw/zinc/98/89/99/562988999.db2.gz CVKJENRAWSRXRF-UHFFFAOYSA-N 1 0 439.563 5.662 1 0 IKAFRO O=C(NC1CC[NH+](CC2=CCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 ZINC000013477051 562989050 /nfs/dbraw/zinc/98/90/50/562989050.db2.gz FBOGHLFSMLTHAN-UHFFFAOYSA-N 1 0 430.592 5.785 1 0 IKAFRO CC(C)(C)c1cc(C[NH2+]Cc2cccc(NC(=N)c3cccs3)c2)cc(C(C)(C)C)c1O ZINC000013487051 562989334 /nfs/dbraw/zinc/98/93/34/562989334.db2.gz BWMPLHAVBZBXKV-UHFFFAOYSA-N 1 0 449.664 6.776 1 0 IKAFRO Clc1ccc([C@H](OCCC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccccc2)cc1 ZINC000013487744 562989554 /nfs/dbraw/zinc/98/95/54/562989554.db2.gz DSXUYALCKWYNBT-FLRZPVQKSA-N 1 0 446.034 7.279 1 0 IKAFRO CC(C)Oc1c(Cl)cc(Cl)cc1C[NH2+]CCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487765 562989616 /nfs/dbraw/zinc/98/96/16/562989616.db2.gz COXDQZQMNBNSOJ-UHFFFAOYSA-N 1 0 434.367 5.626 1 0 IKAFRO CC1CCN(C(=O)c2ccc(-c3ccc(OCCC[NH+]4CCC(C)CC4)cc3)cc2)CC1 ZINC000013488926 562989765 /nfs/dbraw/zinc/98/97/65/562989765.db2.gz QEYKZKCAWGQFFR-UHFFFAOYSA-N 1 0 434.624 5.727 1 0 IKAFRO Cc1cc2c(cccc2OC[C@@H](O)C[NH+]2CCC(c3cc4cc(F)ccc4s3)CC2)[nH]1 ZINC000013490100 562990150 /nfs/dbraw/zinc/99/01/50/562990150.db2.gz WPCKJGIJFBQUPQ-FQEVSTJZSA-N 1 0 438.568 5.449 1 0 IKAFRO O[C@H](COc1cccc2[nH]ccc21)C[NH+]1CCC(c2cc3cc(Cl)ccc3s2)CC1 ZINC000013490092 562990157 /nfs/dbraw/zinc/99/01/57/562990157.db2.gz XMUUFPCCGUSKJS-IBGZPJMESA-N 1 0 440.996 5.655 1 0 IKAFRO Cc1cc2c(cccc2OC[C@@H](O)C[NH+]2CCC(c3cc4ccc(F)cc4s3)CC2)[nH]1 ZINC000013490101 562990175 /nfs/dbraw/zinc/99/01/75/562990175.db2.gz BAWIIQXSRNFJHB-FQEVSTJZSA-N 1 0 438.568 5.449 1 0 IKAFRO O=C(Nc1ccc2[nH]cc(C3CC[NH+](CCc4ccccc4)CC3)c2n1)c1ccc(F)cc1 ZINC000013523805 562991477 /nfs/dbraw/zinc/99/14/77/562991477.db2.gz KSMURUARAUFRFH-UHFFFAOYSA-N 1 0 442.538 5.376 1 0 IKAFRO C[n+]1cccc(C(=O)OCCCCCCn2ccc3cc(OCc4ccccc4)ccc32)c1 ZINC000013524871 562991480 /nfs/dbraw/zinc/99/14/80/562991480.db2.gz LLWDRATYRVRDAK-UHFFFAOYSA-N 1 0 443.567 5.462 1 0 IKAFRO COc1ccc(O[C@H](CC[NH+]2CCN(c3noc4ccccc43)CC2)c2ccccc2)cc1 ZINC000013530552 562992003 /nfs/dbraw/zinc/99/20/03/562992003.db2.gz ORVYTAZBAFYYLI-RUZDIDTESA-N 1 0 443.547 5.169 1 0 IKAFRO C[NH+](C)CCCN(C(=O)c1cc2ccccc2o1)c1ccccc1SCc1ccccc1 ZINC000013537631 562992501 /nfs/dbraw/zinc/99/25/01/562992501.db2.gz IZJJIKAFENNESQ-UHFFFAOYSA-N 1 0 444.600 6.324 1 0 IKAFRO C[C@H](C(=O)N(CCC[NH+](C)C)c1ccccc1SCc1ccccc1)c1ccccc1 ZINC000013537636 562992577 /nfs/dbraw/zinc/99/25/77/562992577.db2.gz LRBXQMBOKUQMSL-QFIPXVFZSA-N 1 0 432.633 6.067 1 0 IKAFRO OC1(c2ccc(Cl)c(C(F)(F)F)c2)CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000013553174 562992804 /nfs/dbraw/zinc/99/28/04/562992804.db2.gz OQNPTSUNKXNSTK-UHFFFAOYSA-N 1 0 437.811 5.861 1 0 IKAFRO C[N@@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(C(=O)Nc4ccc(Cl)cc4)CC3)cc12 ZINC000013553508 562992906 /nfs/dbraw/zinc/99/29/06/562992906.db2.gz UCQRQIRYLSULHB-HSZRJFAPSA-N 1 0 448.998 5.779 1 0 IKAFRO Cc1cccc(C)c1C(=O)N1CCC(C)([NH+]2CCC(Nc3ccc(Cl)cc3)CC2)CC1 ZINC000013560281 562994189 /nfs/dbraw/zinc/99/41/89/562994189.db2.gz AQZFFMQBFOQLGR-UHFFFAOYSA-N 1 0 440.031 5.528 1 0 IKAFRO Cc1cc2c(cccc2OC[C@@H](O)C[N@H+]2CC[C@@H](c3cc4ccc(C)cc4s3)C[C@@H]2C)[nH]1 ZINC000013587192 562995568 /nfs/dbraw/zinc/99/55/68/562995568.db2.gz WRENRCOEWVZIAB-NNWRFLSQSA-N 1 0 448.632 6.007 1 0 IKAFRO CCC[N@@H+](Cc1sc(Nc2c(C)cc(C)cc2Cl)nc1C(F)(F)F)CC1CC1 ZINC000013587339 562995631 /nfs/dbraw/zinc/99/56/31/562995631.db2.gz LJDBHBOGOHCXJR-UHFFFAOYSA-N 1 0 431.955 6.798 1 0 IKAFRO O[C@@H]1c2ccc(OCc3ccccc3)cc2CC[C@H]1CC[NH+]1CCC(c2ccccc2)CC1 ZINC000013588375 562996034 /nfs/dbraw/zinc/99/60/34/562996034.db2.gz XYNOVHCFMBLOEQ-YZNIXAGQSA-N 1 0 441.615 6.131 1 0 IKAFRO O=C(NCCCCc1ccccc1)c1ccccc1C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000013589133 562996149 /nfs/dbraw/zinc/99/61/49/562996149.db2.gz WAXRDAZDTSDCJJ-HHHXNRCGSA-N 1 0 428.576 5.312 1 0 IKAFRO C[N@H+](Cc1ccccc1C(=O)NCC/C=C/c1ccccc1)[C@@H]1CCc2cc(O)ccc2C1 ZINC000013589137 562996153 /nfs/dbraw/zinc/99/61/53/562996153.db2.gz IRORFLRVJUVJIZ-UWAOBNACSA-N 1 0 440.587 5.215 1 0 IKAFRO C[C@H]1c2cc(O)ccc2CC[N@H+]1Cc1ccccc1C(=O)NCC/C=C/c1ccccc1 ZINC000013589144 562996314 /nfs/dbraw/zinc/99/63/14/562996314.db2.gz RRGITTGLGFGTJZ-AKERNLMBSA-N 1 0 426.560 5.345 1 0 IKAFRO C[N@H+](Cc1ccc(COC(=O)[C@](O)(c2ccccc2)C2CCCCC2)o1)C1CCCCC1 ZINC000013602056 562996887 /nfs/dbraw/zinc/99/68/87/562996887.db2.gz SUMSQYYVIYCYJK-MHZLTWQESA-N 1 0 439.596 5.555 1 0 IKAFRO COc1ccc(NC(=O)Nc2ccc(Nc3cc[nH+]c4cc(OC)c(OC)cc34)cc2)cc1 ZINC000013610065 562997685 /nfs/dbraw/zinc/99/76/85/562997685.db2.gz LDTVINCRWQNISR-UHFFFAOYSA-N 1 0 444.491 5.648 1 0 IKAFRO O=C(Nc1cccc(F)c1)N[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC000013613268 562998094 /nfs/dbraw/zinc/99/80/94/562998094.db2.gz VQULRVZLPVJKAU-STWLZBDKSA-N 1 0 441.566 5.600 1 0 IKAFRO COc1cccc(NC(=O)N[C@H]2CCCC[C@H]2C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000013613175 562998150 /nfs/dbraw/zinc/99/81/50/562998150.db2.gz FSIZZJSQRKUBMT-OZXSUGGESA-N 1 0 435.612 5.330 1 0 IKAFRO Cc1csc(NC(=O)N[C@@H]2CCCC[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)n1 ZINC000013613343 562998197 /nfs/dbraw/zinc/99/81/97/562998197.db2.gz YPYNMPIDPXJKTD-JAXLGGSGSA-N 1 0 444.620 5.226 1 0 IKAFRO Cc1c2cc(O)ccc2n(CCCCCC[NH2+]Cc2ccccn2)c1-c1ccc(O)cc1 ZINC000013649984 562998990 /nfs/dbraw/zinc/99/89/90/562998990.db2.gz UZBJAVHINGOFTD-UHFFFAOYSA-N 1 0 429.564 5.773 1 0 IKAFRO Cc1c2cc(O)ccc2n(CCCCCCC[NH2+]Cc2ccccn2)c1-c1ccc(O)cc1 ZINC000013649985 562999008 /nfs/dbraw/zinc/99/90/08/562999008.db2.gz ADSSDIRHRGTJOC-UHFFFAOYSA-N 1 0 443.591 6.163 1 0 IKAFRO CCC[N@H+]1CCC(=O)N([C@H](CSc2ccc(Br)cc2)c2ccccc2)CC1 ZINC000013661674 562999816 /nfs/dbraw/zinc/99/98/16/562999816.db2.gz OZCKZSBDMAXLIS-OAQYLSRUSA-N 1 0 447.442 5.227 3 0 IKAFRO Cc1cccc([C@@H](CCC[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2)c1 ZINC000013674320 563000321 /nfs/dbraw/zinc/00/03/21/563000321.db2.gz XFNLYSXDMPXNNA-MHZLTWQESA-N 1 0 434.023 6.544 1 0 IKAFRO O=C(NCCC[NH+]1CCC2(CCc3ccccc32)CC1)c1ccccc1Oc1ccccc1 ZINC000013679953 563000902 /nfs/dbraw/zinc/00/09/02/563000902.db2.gz KFXRFKRUMZXDFI-UHFFFAOYSA-N 1 0 440.587 5.579 1 0 IKAFRO O[C@@H](Cc1ccccc1)C[NH+]1CCC(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000013683629 563001031 /nfs/dbraw/zinc/00/10/31/563001031.db2.gz IQMIXHLHNCHBNI-NDEPHWFRSA-N 1 0 429.604 5.498 1 0 IKAFRO O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(cnn2CC[NH+]2CCCC2)c1 ZINC000013685194 563001101 /nfs/dbraw/zinc/00/11/01/563001101.db2.gz OHLRSGMODYTCJK-UHFFFAOYSA-N 1 0 441.535 5.568 1 0 IKAFRO Cc1cc2c(ccc(Oc3ncnn4cc(OCCC[NH+]5CCCCC5)c(C)c34)c2F)[nH]1 ZINC000013684240 563001142 /nfs/dbraw/zinc/00/11/42/563001142.db2.gz JOPYKTLQPXTHOU-UHFFFAOYSA-N 1 0 437.519 5.014 1 0 IKAFRO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)C(c1ccccc1Cl)c1ccccc1Cl ZINC000013733974 563002189 /nfs/dbraw/zinc/00/21/89/563002189.db2.gz DJENNRQWYMVEOW-HDICACEKSA-N 1 0 433.423 5.895 1 0 IKAFRO O=C(CCC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1ccccc1)CC2 ZINC000013737849 563002729 /nfs/dbraw/zinc/00/27/29/563002729.db2.gz NAMSGSSCIKIOGU-UHFFFAOYSA-N 1 0 438.615 6.124 1 0 IKAFRO Cc1ccnc(N2CC[NH+](CCc3c4cccc5c4n(c3-c3ccccc3)CCC5)CC2)c1 ZINC000013740413 563002997 /nfs/dbraw/zinc/00/29/97/563002997.db2.gz IIRNIZBILWYFCZ-UHFFFAOYSA-N 1 0 436.603 5.323 1 0 IKAFRO CCCC[C@H]1CCc2cccc3c(CC[NH+]4CCN(c5cc(C)ccn5)CC4)c(C)n1c32 ZINC000013740441 563003034 /nfs/dbraw/zinc/00/30/34/563003034.db2.gz FGEJWVXINYCXIR-DEOSSOPVSA-N 1 0 430.640 5.695 1 0 IKAFRO COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC(c2noc3cc(Cl)ccc32)CC1 ZINC000013740843 563003204 /nfs/dbraw/zinc/00/32/04/563003204.db2.gz MXVZSIZAGFKBIP-UHFFFAOYSA-N 1 0 442.943 5.341 1 0 IKAFRO CCC(=O)c1ccc(OCCC[NH+]2CCC(c3noc4cc(F)ccc43)CC2)c(OC)c1 ZINC000013740859 563003272 /nfs/dbraw/zinc/00/32/72/563003272.db2.gz NDYOGQKCYHHFLA-UHFFFAOYSA-N 1 0 440.515 5.217 1 0 IKAFRO Cc1ccc(SC[C@@H](C[NH+](C)C)C(=O)c2ccc(OCc3ccccc3)cc2)cc1C ZINC000013741936 563003302 /nfs/dbraw/zinc/00/33/02/563003302.db2.gz JAWVVQKVYZUJTE-XMMPIXPASA-N 1 0 433.617 6.035 1 0 IKAFRO CC(C)=CCn1c(=O)ccc2c1CCC[C@@H]2[NH2+]CCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000013743316 563003594 /nfs/dbraw/zinc/00/35/94/563003594.db2.gz NCZWWSWZQAWLGR-FQEVSTJZSA-N 1 0 438.921 5.696 1 0 IKAFRO Cc1cc(C)cc(CO[C@@H]2C3CC[NH+](CC3)[C@H]2[C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC000013744542 563003786 /nfs/dbraw/zinc/00/37/86/563003786.db2.gz IGJOBCGNZPJBJN-OIFRRMEBSA-N 1 0 425.616 6.309 1 0 IKAFRO COc1cc(CO[C@H]2C3CC[NH+](CC3)[C@@H]2C(c2ccccc2)c2ccccc2)cc(OC)c1 ZINC000013744522 563003822 /nfs/dbraw/zinc/00/38/22/563003822.db2.gz DCAGUAUHSOJEOX-WDYNHAJCSA-N 1 0 443.587 5.515 1 0 IKAFRO COc1cc2c(cc1OC)C(=O)[C@H](CCCCCC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000013744615 563003831 /nfs/dbraw/zinc/00/38/31/563003831.db2.gz HCXBSKMUNXXSNQ-HSZRJFAPSA-N 1 0 435.608 5.922 1 0 IKAFRO Cc1ccc(C(OCCC2CC[NH+](CCc3ccccc3)CC2)c2ccc(C)cc2)cc1 ZINC000013746584 563004007 /nfs/dbraw/zinc/00/40/07/563004007.db2.gz KOUHIYDEROTWGL-UHFFFAOYSA-N 1 0 427.632 6.754 1 0 IKAFRO Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCC[C@@H]([NH+](C)C)c4ccccc43)cc2)c1 ZINC000013757963 563004628 /nfs/dbraw/zinc/00/46/28/563004628.db2.gz LJSUKZDREGZECP-XMMPIXPASA-N 1 0 427.548 5.291 1 0 IKAFRO O=C1N(CCCC[NH+]2CCN(c3csc4ccccc43)CC2)CSC12CCCCC2 ZINC000013759434 563004781 /nfs/dbraw/zinc/00/47/81/563004781.db2.gz BQVJCBCVOOWLFV-UHFFFAOYSA-N 1 0 443.682 5.039 1 0 IKAFRO Fc1ccc(C[NH+]2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC000013760759 563004921 /nfs/dbraw/zinc/00/49/21/563004921.db2.gz ATOSFZGVHUPMHX-UHFFFAOYSA-N 1 0 437.986 6.887 1 0 IKAFRO CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H]([N@@H+]5CCSC(C)(C)C5)C[C@]4(C)[C@H]3CC[C@]12C ZINC000013762188 563005403 /nfs/dbraw/zinc/00/54/03/563005403.db2.gz WCDARDNDINEQIF-SGCSXEKPSA-N 1 0 447.729 5.401 1 0 IKAFRO Cc1cc(C)cc(C(=O)N2CC[C@H]([NH2+]CCc3ccccc3)C[C@H]2Cc2ccccc2)c1 ZINC000013781115 563006554 /nfs/dbraw/zinc/00/65/54/563006554.db2.gz LRRZHSQFXGWYEI-WUFINQPMSA-N 1 0 426.604 5.352 1 0 IKAFRO Clc1ccc(OCCc2ccccc2)c(CCC[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000013795809 563007275 /nfs/dbraw/zinc/00/72/75/563007275.db2.gz ZVBDCXMMMNDDKQ-UHFFFAOYSA-N 1 0 435.999 5.111 1 0 IKAFRO O=S(=O)(c1ccccc1)N(CCC[N@H+]1CC=C(c2ccccc2)CC1)c1ccccc1 ZINC000013823454 563010293 /nfs/dbraw/zinc/01/02/93/563010293.db2.gz QWVPSLXKIGGBPP-UHFFFAOYSA-N 1 0 432.589 5.061 1 0 IKAFRO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2c3ccccc3[nH]c2[C@H]1C[NH+]1CCCC1 ZINC000013823981 563010379 /nfs/dbraw/zinc/01/03/79/563010379.db2.gz SNEYMUAQCKBVHQ-JOCHJYFZSA-N 1 0 442.390 5.239 1 0 IKAFRO CN(CCC[NH+]1CCC(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000013824988 563010405 /nfs/dbraw/zinc/01/04/05/563010405.db2.gz BMRARLJDLIUFPA-UHFFFAOYSA-N 1 0 434.574 6.335 1 0 IKAFRO CC(C)=CCC/C(C)=C/CC/C(C)=C/C[NH2+]C/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000013827370 563010583 /nfs/dbraw/zinc/01/05/83/563010583.db2.gz LNDDHAFOQVYLQD-SBEKHEBASA-N 1 0 425.745 9.414 1 0 IKAFRO CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2c([nH+]1)CCCCC2 ZINC000013826905 563010601 /nfs/dbraw/zinc/01/06/01/563010601.db2.gz QEPKKBADCQMSFB-UHFFFAOYSA-N 1 0 425.536 5.339 1 0 IKAFRO O=C(c1c2ccccc2sc1-c1ccccc1)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000013834281 563012000 /nfs/dbraw/zinc/01/20/00/563012000.db2.gz OYJDQSXEKOWLQF-UHFFFAOYSA-N 1 0 441.596 6.664 1 0 IKAFRO O=C(NC1CC[NH+](CC2CCCCCCC2)CC1)[C@@](O)(c1ccccc1)C1CCCC1 ZINC000013835838 563012250 /nfs/dbraw/zinc/01/22/50/563012250.db2.gz RMIVAAULYORDDZ-HHHXNRCGSA-N 1 0 426.645 5.006 1 0 IKAFRO COc1ccc(O[C@H](CC[NH+]2CCN(c3ccccc3OC)CC2)c2ccccc2)cc1 ZINC000013861699 563012825 /nfs/dbraw/zinc/01/28/25/563012825.db2.gz UJPPBKZKXYUAMB-AREMUKBSSA-N 1 0 432.564 5.036 1 0 IKAFRO O=C(NC1CC[NH+](Cc2ccc3ccccc3c2)CC1)C1c2ccccc2Oc2ccccc21 ZINC000013862615 563013082 /nfs/dbraw/zinc/01/30/82/563013082.db2.gz KBWHPZXDEAFLDF-UHFFFAOYSA-N 1 0 448.566 5.858 1 0 IKAFRO COc1c(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc(Br)c2ccccc21 ZINC000013862882 563013195 /nfs/dbraw/zinc/01/31/95/563013195.db2.gz JVVXYJOBIBKLSD-QGZVFWFLSA-N 1 0 445.401 5.138 1 0 IKAFRO O=C(OCCC[NH+]1CCCCCC1)C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000013864166 563013549 /nfs/dbraw/zinc/01/35/49/563013549.db2.gz LORNSNUELIOLKC-UHFFFAOYSA-N 1 0 427.588 5.830 1 0 IKAFRO Oc1ccc(C2=Cc3ccc(O)cc3O[C@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000013890335 563013857 /nfs/dbraw/zinc/01/38/57/563013857.db2.gz VFJFQJKZWLXQQX-NDEPHWFRSA-N 1 0 443.543 5.637 1 0 IKAFRO CN(C(=O)[C@@H]1C(c2ccccc2)=C1c1cccc(Cl)c1)[C@H]1CCCC[C@@H]1[NH+]1CCCC1 ZINC000013911793 563013932 /nfs/dbraw/zinc/01/39/32/563013932.db2.gz YLSWYZBILYWGQN-JCYRPKCISA-N 1 0 435.011 5.746 1 0 IKAFRO CC[NH+](CC)CCCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(N)nc2n1 ZINC000014944229 563015200 /nfs/dbraw/zinc/01/52/00/563015200.db2.gz GSZFEVQHOLXFAM-UHFFFAOYSA-N 1 0 433.387 5.115 1 0 IKAFRO Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cc(Cl)cc(Cl)c4)c3)cc12 ZINC000014961676 563016175 /nfs/dbraw/zinc/01/61/75/563016175.db2.gz DALRTELPWRMRAK-IBGZPJMESA-N 1 0 427.335 5.189 1 0 IKAFRO Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(Cl)c4Cl)c3)cc12 ZINC000014961667 563016191 /nfs/dbraw/zinc/01/61/91/563016191.db2.gz OBPHJKTZMXJJJE-KRWDZBQOSA-N 1 0 427.335 5.189 1 0 IKAFRO Nc1[nH]c2ccc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)cc2[nH+]1 ZINC000014965584 563016414 /nfs/dbraw/zinc/01/64/14/563016414.db2.gz GKOMRRDSXJXWIK-UHFFFAOYSA-N 1 0 445.376 5.739 1 0 IKAFRO CC(C)c1ccccc1N1CC[NH+](CCCCCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000014975978 563016875 /nfs/dbraw/zinc/01/68/75/563016875.db2.gz CPWLTNLRAGBWKJ-MHZLTWQESA-N 1 0 447.667 5.686 1 0 IKAFRO CCCc1ccccc1N1CC[NH+](CCCCCC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000014975960 563016919 /nfs/dbraw/zinc/01/69/19/563016919.db2.gz IIEKSILFYZPUHU-HHHXNRCGSA-N 1 0 447.667 5.515 1 0 IKAFRO CCc1ccccc1N1CC[NH+](CCCCCC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000014975951 563016926 /nfs/dbraw/zinc/01/69/26/563016926.db2.gz VCNZQKOEJRCPML-AREMUKBSSA-N 1 0 433.640 5.125 1 0 IKAFRO CC(C)C1CCC([NH+]2CCC3(CC2)c2ccccc2CN(Cc2ccccc2)C3=O)CC1 ZINC000014977295 563017113 /nfs/dbraw/zinc/01/71/13/563017113.db2.gz KUSRIKGAPXLENN-UHFFFAOYSA-N 1 0 430.636 5.777 1 0 IKAFRO CCOc1cc(-c2sc(Nc3ccc(CC)cc3)n[n+]2-c2ccccc2)ccc1OC ZINC000015935120 563018508 /nfs/dbraw/zinc/01/85/08/563018508.db2.gz LTMYPUNVQFGLJG-UHFFFAOYSA-N 1 0 432.569 5.800 3 0 IKAFRO CSc1ccc(-c2sc(Nc3cccc4ccccc43)n[n+]2-c2ccccc2)cc1 ZINC000015936849 563019089 /nfs/dbraw/zinc/01/90/89/563019089.db2.gz GMOMQYXQGOMJEO-UHFFFAOYSA-N 1 0 426.590 6.706 3 0 IKAFRO COc1ccc([C@@H](OCC[NH+]2CCN(C/C=C/c3ccccc3)CC2)c2ccccc2)cc1 ZINC000022925574 563025790 /nfs/dbraw/zinc/02/57/90/563025790.db2.gz NXEIIWOLSIXINJ-IINUCZPTSA-N 1 0 442.603 5.132 1 0 IKAFRO Cc1ccc(CN(CCN2CC[NH+](CCCc3ccccc3)CC2)c2ccccc2)cc1 ZINC000022925676 563025949 /nfs/dbraw/zinc/02/59/49/563025949.db2.gz UKQOAOAUEQYBDV-UHFFFAOYSA-N 1 0 427.636 5.252 1 0 IKAFRO Cc1cccc([C@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CC[NH2+]CC2)c1 ZINC000022926866 563026008 /nfs/dbraw/zinc/02/60/08/563026008.db2.gz HLXSDXICZGENQQ-FQEVSTJZSA-N 1 0 446.435 5.196 1 0 IKAFRO COc1ccc(CCC[NH+]2CCC([C@@H](O)CC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000026001339 563028154 /nfs/dbraw/zinc/02/81/54/563028154.db2.gz OJZAGSBHGWMTOB-PMERELPUSA-N 1 0 443.631 5.923 1 0 IKAFRO COc1cccc(CCC[NH+]2CCC(COC(c3ccccc3)c3ccccc3)CC2)c1 ZINC000025997847 563028157 /nfs/dbraw/zinc/02/81/57/563028157.db2.gz IAYRYUQSRYWCLT-UHFFFAOYSA-N 1 0 429.604 6.146 1 0 IKAFRO c1cc(-n2cc(CCCC[NH+]3CCC4(CC3)OCc3ccccc34)c3ccccc32)cs1 ZINC000026147013 563028913 /nfs/dbraw/zinc/02/89/13/563028913.db2.gz RTZCWFYPRMMQRN-UHFFFAOYSA-N 1 0 442.628 6.536 1 0 IKAFRO Fc1ccc(-n2cc(CCC[NH+]3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1 ZINC000026154875 563029009 /nfs/dbraw/zinc/02/90/09/563029009.db2.gz CQQLHMFPHISTLM-UHFFFAOYSA-N 1 0 440.562 6.224 1 0 IKAFRO O[C@@H](CCC[N@@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccccc1)c1ccc(F)cc1 ZINC000026179026 563029549 /nfs/dbraw/zinc/02/95/49/563029549.db2.gz VCHSYIPRDSWSPA-OIKPOIBNSA-N 1 0 434.530 5.788 1 0 IKAFRO Oc1ccc2c(c1)sc(C1CCCC1)c2Cc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000026178139 563029554 /nfs/dbraw/zinc/02/95/54/563029554.db2.gz GCRDKSGKSQLPDO-UHFFFAOYSA-N 1 0 435.633 6.720 1 0 IKAFRO CNC(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CCc2ccccc2)cc1 ZINC000026185540 563029702 /nfs/dbraw/zinc/02/97/02/563029702.db2.gz CSWHEDUISARBAD-HNRBIFIRSA-N 1 0 436.599 5.718 1 0 IKAFRO C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)[C@H](c2nc(-c3ccc(Br)cc3)no2)C1 ZINC000026183024 563029748 /nfs/dbraw/zinc/02/97/48/563029748.db2.gz VGTHXWPAVSKNJJ-ZWKOTPCHSA-N 1 0 432.749 5.355 1 0 IKAFRO CCNC(=O)c1ccc(C(c2cccc(O)c2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CC=C(C)C)cc1 ZINC000026186065 563029779 /nfs/dbraw/zinc/02/97/79/563029779.db2.gz MNBGPJROYSJPEG-PLQXJYEYSA-N 1 0 430.592 5.537 1 0 IKAFRO COc1ccc(/C=C/CC[N@@H+]2CC[C@@H]3[C@@H](C2)c2cc(F)ccc2N3c2ccc(F)cc2)cc1 ZINC000026186704 563029872 /nfs/dbraw/zinc/02/98/72/563029872.db2.gz FUEFSRJCHZYCGE-DHVBHTJXSA-N 1 0 446.541 6.387 1 0 IKAFRO CC(=O)NCCCCCCC[N@@H+]1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 ZINC000026254390 563030180 /nfs/dbraw/zinc/03/01/80/563030180.db2.gz YPOQGLRHFMTALJ-AOYPEHQESA-N 1 0 441.566 5.361 1 0 IKAFRO COc1ccc([S@@](=O)c2ccc([C@H](C)C3CC[NH+](C4CCCCC4)CC3)cc2)cc1 ZINC000026288382 563030820 /nfs/dbraw/zinc/03/08/20/563030820.db2.gz NDXFHBBFUCQHAL-WENCNXQZSA-N 1 0 425.638 6.010 1 0 IKAFRO C[C@@H](c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000026384933 563031523 /nfs/dbraw/zinc/03/15/23/563031523.db2.gz CZMLHCKAVIBNFO-IBGZPJMESA-N 1 0 447.044 5.184 1 0 IKAFRO Fc1ccc(C(OCC[NH+]2CCC(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000026473499 563032140 /nfs/dbraw/zinc/03/21/40/563032140.db2.gz VMIZSAUBUHOYHI-UHFFFAOYSA-N 1 0 449.585 6.806 1 0 in-vivo IKAFRO CC/C(=C(/c1ccc(OCC[NH+](C)C)cc1)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000026568735 563033269 /nfs/dbraw/zinc/03/32/69/563033269.db2.gz GQOPYPFDMRFHBS-CYYJNZCTSA-N 1 0 449.616 5.400 1 0 IKAFRO C[C@@H]1C[NH+](CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1CCCc1ccccc1 ZINC000026577734 563033952 /nfs/dbraw/zinc/03/39/52/563033952.db2.gz CJLMHMFDXCFFRR-JWQCQUIFSA-N 1 0 439.647 6.212 1 0 IKAFRO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2ccccc2[C@@H]1C[NH+]1CCCCCCC1 ZINC000026578005 563033959 /nfs/dbraw/zinc/03/39/59/563033959.db2.gz CGOKICOCVPIJFD-DEOSSOPVSA-N 1 0 445.434 5.928 1 0 IKAFRO Cc1cc2c(cccc2OC[C@H](O)C[N@H+]2CC[C@@H](c3cccc4sccc43)C[C@@H]2C)[nH]1 ZINC000026579223 563034114 /nfs/dbraw/zinc/03/41/14/563034114.db2.gz BOTRUCAWYZGOIG-XUVXKRRUSA-N 1 0 434.605 5.699 1 0 IKAFRO Cc1cc2c(cccc2OC[C@H](O)C[N@H+]2CC[C@@H](c3ccc4sccc4c3)C[C@@H]2C)[nH]1 ZINC000026579687 563034207 /nfs/dbraw/zinc/03/42/07/563034207.db2.gz CYRDVRSSLKLLEE-CZTZKLFOSA-N 1 0 434.605 5.699 1 0 IKAFRO Oc1ccc2c(c1)S[C@H](c1ccccc1)[C@@H](c1ccc(OCC[NH+]3CCCCC3)cc1)O2 ZINC000026651321 563034573 /nfs/dbraw/zinc/03/45/73/563034573.db2.gz WGDOPZQMRJSAPD-KAYWLYCHSA-N 1 0 447.600 6.224 1 0 IKAFRO O=C(Nc1ccccc1)N1C[C@H](C[NH+]2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026655439 563034781 /nfs/dbraw/zinc/03/47/81/563034781.db2.gz COMVHBCGMOXRMN-XTEPFMGCSA-N 1 0 439.603 5.814 1 0 IKAFRO C[NH+]1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(Nc3ccccc3)n2)CC1 ZINC000026720720 563035647 /nfs/dbraw/zinc/03/56/47/563035647.db2.gz DOJXCIZDAFPMQV-UHFFFAOYSA-N 1 0 428.515 5.157 1 0 IKAFRO CN(CC[N@H+](C)CCCC(c1ccc(F)cc1)c1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000026749252 563036514 /nfs/dbraw/zinc/03/65/14/563036514.db2.gz GUEOGABVYDIVQU-UHFFFAOYSA-N 1 0 440.553 6.080 1 0 IKAFRO C[C@H]([NH2+]Cc1ccccc1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C ZINC000026750129 563036653 /nfs/dbraw/zinc/03/66/53/563036653.db2.gz ZMKOJYXTNVODPU-CGTLVUEYSA-N 1 0 437.712 6.821 1 0 IKAFRO CC(C(=O)O[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)(c1ccccc1)c1ccccc1 ZINC000026943600 563037960 /nfs/dbraw/zinc/03/79/60/563037960.db2.gz GZXQKCMKEJCSMK-NPAAKHOSSA-N 1 0 425.572 5.589 1 0 IKAFRO CCCC[NH2+]C[C@@H](O)COc1ccc([C@@H]2Oc3ccccc3C=C2c2ccccc2)cc1 ZINC000026960486 563038255 /nfs/dbraw/zinc/03/82/55/563038255.db2.gz DIIFULRELAXYTN-YWEHKCAJSA-N 1 0 429.560 5.490 1 0 IKAFRO CCCC[NH2+]C[C@@H](O)COc1ccc([C@H]2Oc3ccccc3C=C2c2ccccc2)cc1 ZINC000026960510 563038273 /nfs/dbraw/zinc/03/82/73/563038273.db2.gz DIIFULRELAXYTN-UFHPHHKVSA-N 1 0 429.560 5.490 1 0 IKAFRO C[C@@H]([NH2+]C[C@H](Cc1ccccc1)NCc1cccc(Cl)c1)c1cccc2ccccc21 ZINC000026995542 563038857 /nfs/dbraw/zinc/03/88/57/563038857.db2.gz ZRWAMFWDHTXJIW-RLWLMLJZSA-N 1 0 429.007 6.545 1 0 IKAFRO C[C@H]([NH2+]C[C@H](Cc1ccccc1)NCc1ccccc1Cl)c1cccc2ccccc21 ZINC000027077160 563039026 /nfs/dbraw/zinc/03/90/26/563039026.db2.gz BXUXAOCUFNDQLK-OFVILXPXSA-N 1 0 429.007 6.545 1 0 IKAFRO O=c1oc2cc(O)ccc2c(-c2ccc(OCC[NH+]3CCCCC3)cc2)c1-c1ccccc1 ZINC000027088851 563039177 /nfs/dbraw/zinc/03/91/77/563039177.db2.gz ZKROPOZVVXSGFR-UHFFFAOYSA-N 1 0 441.527 5.697 1 0 IKAFRO COc1ccc(C[C@@H]2CN3C(=[NH+]C[C@H]3C3CCCCC3)N2CCCC2CCCCC2)cc1 ZINC000027207712 563040851 /nfs/dbraw/zinc/04/08/51/563040851.db2.gz UMIJHKIIVRNJCH-VPUSJEBWSA-N 1 0 437.672 5.903 1 0 IKAFRO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[N@@H+]2C ZINC000027214046 563041025 /nfs/dbraw/zinc/04/10/25/563041025.db2.gz XTEKMJCKVNQZRJ-JSXRDJHFSA-N 1 0 434.363 5.124 1 0 IKAFRO CCC[NH+](CCC)[C@@H]1CCc2c(ccc(CCc3ccc(C(F)(F)F)cc3)c2OC)C1 ZINC000027416744 563041962 /nfs/dbraw/zinc/04/19/62/563041962.db2.gz AJHTXXXNOZVOOI-HSZRJFAPSA-N 1 0 433.558 6.479 1 0 IKAFRO CCc1cccc(NC(=[NH2+])Nc2cc(Br)cc(CC)c2Br)c1 ZINC000027426303 563042179 /nfs/dbraw/zinc/04/21/79/563042179.db2.gz BFIBUWWXAFZFRZ-UHFFFAOYSA-N 1 0 425.168 5.795 1 0 IKAFRO Clc1ccc2c(c1)nccc2NCCC[NH2+]CCNc1ccnc2cc(Cl)ccc21 ZINC000027436662 563042385 /nfs/dbraw/zinc/04/23/85/563042385.db2.gz KCPBIAZJEHWGBR-UHFFFAOYSA-N 1 0 440.378 5.594 1 0 IKAFRO COc1cc(C)cc(CO[C@H]2C3CC[NH+](CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 ZINC000027546822 563043424 /nfs/dbraw/zinc/04/34/24/563043424.db2.gz LAMLXQZWIGWWGU-VMPREFPWSA-N 1 0 427.588 5.815 1 0 IKAFRO FC(F)(F)c1cc(CO[C@H]2C3CC[NH+](CC3)[C@H]2Cc2ccccc2)cc(C(F)(F)F)c1 ZINC000027546615 563043466 /nfs/dbraw/zinc/04/34/66/563043466.db2.gz JOTMNMNWQYWMOE-SFTDATJTSA-N 1 0 443.431 5.946 1 0 IKAFRO COc1cc(OC)cc(-c2[nH]c3ccccc3c2CC[NH2+]CCCCc2ccc(O)cc2)c1 ZINC000027559466 563044155 /nfs/dbraw/zinc/04/41/55/563044155.db2.gz AFNNWBJCAKKHEC-UHFFFAOYSA-N 1 0 444.575 5.713 1 0 IKAFRO Cc1cc(C)cc(-c2[nH]c3ccccc3c2CC[NH2+]CCCCCc2ccc(O)cc2)c1 ZINC000027561039 563044185 /nfs/dbraw/zinc/04/41/85/563044185.db2.gz XNAPYFGYDYXXFN-UHFFFAOYSA-N 1 0 426.604 6.702 1 0 IKAFRO Clc1ccccc1CC[NH2+][C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000027635897 563044900 /nfs/dbraw/zinc/04/49/00/563044900.db2.gz LKTXZRZNGUFCKQ-VSGBNLITSA-N 1 0 431.023 5.767 1 0 IKAFRO CC1(C)Oc2cc(O)ccc2[C@H](c2ccc(OCC[NH+]3CCCC3)cc2)[C@H]1c1ccccc1 ZINC000027647529 563045169 /nfs/dbraw/zinc/04/51/69/563045169.db2.gz PAIABUZDHNKOIL-WUFINQPMSA-N 1 0 443.587 5.954 1 0 IKAFRO O=C1CC2(CCCC2)CC(=O)N1CCCC[N@H+]1CCc2c(Cl)ccc3c2[C@@H](CCC3)C1 ZINC000027721143 563045896 /nfs/dbraw/zinc/04/58/96/563045896.db2.gz IVXZXHVIIMPLMA-FQEVSTJZSA-N 1 0 443.031 5.108 1 0 IKAFRO O=C(c1ccco1)N(c1cnc2ccccc2c1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000027746210 563046699 /nfs/dbraw/zinc/04/66/99/563046699.db2.gz CGZPYHDNAHEROS-UHFFFAOYSA-N 1 0 425.532 5.182 1 0 IKAFRO Fc1ccc(C(CCC[NH+]2CCC(c3noc4ccccc43)CC2)c2ccc(F)cc2)cc1 ZINC000027867558 563047574 /nfs/dbraw/zinc/04/75/74/563047574.db2.gz IGICVRPQHYYVLH-UHFFFAOYSA-N 1 0 446.541 6.898 1 0 IKAFRO CC(C)(C)[NH2+]C[C@@H](O)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O ZINC000027880289 563047748 /nfs/dbraw/zinc/04/77/48/563047748.db2.gz FGCKXFBVGQVZQK-OAQYLSRUSA-N 1 0 443.543 5.255 1 0 IKAFRO CC(C)(C)[NH2+]C[C@H](O)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O ZINC000027880296 563047773 /nfs/dbraw/zinc/04/77/73/563047773.db2.gz FGCKXFBVGQVZQK-NRFANRHFSA-N 1 0 443.543 5.255 1 0 IKAFRO O=C(Nc1cccc(C(F)(F)F)c1)NC1CC[NH+](CCc2c[nH]c3ccccc23)CC1 ZINC000027983534 563048626 /nfs/dbraw/zinc/04/86/26/563048626.db2.gz UTWJONJXKWAHFG-UHFFFAOYSA-N 1 0 430.474 5.015 1 0 IKAFRO CCC(=O)N1c2ccccc2S[C@@H]1c1ccccc1OCCC[N@H+](C)C1CCCCC1 ZINC000028006411 563049474 /nfs/dbraw/zinc/04/94/74/563049474.db2.gz BRBURWHFGAZKCR-AREMUKBSSA-N 1 0 438.637 6.268 1 0 IKAFRO Fc1ccc([C@H]2C[C@@H]([NH+]3CCN(C/C=C/c4ccccc4)CC3)c3cc(F)ccc32)cc1 ZINC000028009395 563049532 /nfs/dbraw/zinc/04/95/32/563049532.db2.gz WFWXLDOWSRFXSJ-MMZUHSRASA-N 1 0 430.542 5.873 1 0 IKAFRO CSc1sc(C(N)=[NH2+])cc1-c1csc(Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000028009073 563049542 /nfs/dbraw/zinc/04/95/42/563049542.db2.gz XRCYOZWXVWETRK-UHFFFAOYSA-N 1 0 438.603 6.413 1 0 IKAFRO COc1ccc2c(c1)c1c(n2S(=O)(=O)c2cccc3ccccc32)CCC[C@@H]1C[NH+](C)C ZINC000028094145 563050410 /nfs/dbraw/zinc/05/04/10/563050410.db2.gz SAHVYMKUXSVQNV-LJQANCHMSA-N 1 0 448.588 5.022 1 0 IKAFRO COc1cccc(NC(=O)N[C@H]2CCCC[C@@H]2C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000028111808 563050815 /nfs/dbraw/zinc/05/08/15/563050815.db2.gz FSIZZJSQRKUBMT-BVAGGSTKSA-N 1 0 435.612 5.330 1 0 IKAFRO CCN(C)C(=[NH2+])c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2F)c(F)c1 ZINC000028240016 563052104 /nfs/dbraw/zinc/05/21/04/563052104.db2.gz WPPWOKUFDGHMQA-UHFFFAOYSA-N 1 0 447.489 5.141 1 0 IKAFRO CC(C)c1ccccc1O[C@H](CC[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1)C(C)C ZINC000028352370 563053203 /nfs/dbraw/zinc/05/32/03/563053203.db2.gz DCYSPNIVUPHBEY-RUZDIDTESA-N 1 0 435.612 5.584 1 0 IKAFRO CN(C(=O)Cc1ccc(O)cc1)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028351509 563053208 /nfs/dbraw/zinc/05/32/08/563053208.db2.gz MIUDYUJMSXWQAH-UHFFFAOYSA-N 1 0 442.603 5.080 1 0 IKAFRO O=C1[C@H](c2ccc(Cl)c(Cl)c2)CC=CCN1[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000028374065 563053861 /nfs/dbraw/zinc/05/38/61/563053861.db2.gz DVTNAPPKBSPOMR-NZQKXSOJSA-N 1 0 429.391 5.703 1 0 IKAFRO CCNC(=O)c1ccc(C(C2=CN(O)C=CC2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccoc2)cc1 ZINC000028390235 563054391 /nfs/dbraw/zinc/05/43/91/563054391.db2.gz TWDRRHBIWWRVDM-PLQXJYEYSA-N 1 0 445.563 5.102 1 0 IKAFRO O=C1[C@@H](c2ccc(C(F)(F)F)cc2)CC=CCN1[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000028455820 563054668 /nfs/dbraw/zinc/05/46/68/563054668.db2.gz ASGNSBZVWDMQMJ-DHIUTWEWSA-N 1 0 428.498 5.415 1 0 IKAFRO CCC[N@@H+](Cc1c(C)nc2n1c1cc(F)ccc1n2-c1c(C)cc(C)cc1C)CC1CC1 ZINC000028462005 563055190 /nfs/dbraw/zinc/05/51/90/563055190.db2.gz ZWETYKGFUQLXAP-UHFFFAOYSA-N 1 0 432.587 6.273 1 0 IKAFRO [NH3+]Cc1cccc(C2CCN(C(=O)c3cn(CC4CCCCC4)c4ccccc34)CC2)c1 ZINC000028475895 563055721 /nfs/dbraw/zinc/05/57/21/563055721.db2.gz ZXIQCNPFFYCIAI-UHFFFAOYSA-N 1 0 429.608 5.700 1 0 IKAFRO CC[NH+](CC)CC[C@@H]1C(c2ccccc2)=Nc2ccccc2S[C@@H]1c1ccc(Cl)cc1 ZINC000028520244 563055850 /nfs/dbraw/zinc/05/58/50/563055850.db2.gz RKMHAQQHRMTUGO-YIXXDRMTSA-N 1 0 449.063 7.656 1 0 IKAFRO Cc1ccc(OCc2ccccc2)c([C@H](CC[N@H+]2C[C@]3(C)C[C@]3(C)C2)c2ccccc2)c1 ZINC000028477395 563055861 /nfs/dbraw/zinc/05/58/61/563055861.db2.gz LYPDKARLUOPFRO-XUEBXJBISA-N 1 0 425.616 6.828 1 0 IKAFRO O=C(Nc1ccccc1NC(=O)C1CCCCC1)OCC1CCN(c2cc[nH+]cc2)CC1 ZINC000028524283 563056447 /nfs/dbraw/zinc/05/64/47/563056447.db2.gz UMJACBNOUZRGJO-UHFFFAOYSA-N 1 0 436.556 5.066 1 0 IKAFRO CCCCCC[C@H](CCCC)C[NH+]1CCC2(CC1)c1ccccc1N(CC(=O)OC)C2=O ZINC000028526342 563056980 /nfs/dbraw/zinc/05/69/80/563056980.db2.gz KDJXKFTXUYAZNS-QFIPXVFZSA-N 1 0 442.644 5.317 1 0 IKAFRO CC(C)(C)[C@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCC2(CCc3ccccc32)CC1 ZINC000028569040 563058603 /nfs/dbraw/zinc/05/86/03/563058603.db2.gz AVDFEWUMZBRVSD-AREMUKBSSA-N 1 0 432.652 5.378 1 0 IKAFRO Clc1cccc([C@](c2ccccc2)(c2ccc(C[NH+]3CCCC3)cc2)n2ccnc2)c1 ZINC000028604052 563059658 /nfs/dbraw/zinc/05/96/58/563059658.db2.gz JMWJHHSZIGXYTI-MHZLTWQESA-N 1 0 427.979 5.973 1 0 IKAFRO O=C(NCCCC[NH+]1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ccccc2)cc1 ZINC000028603994 563059666 /nfs/dbraw/zinc/05/96/66/563059666.db2.gz GKYCMCAEMPRKBH-UHFFFAOYSA-N 1 0 448.010 5.339 1 0 IKAFRO O=C(CCC[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000028647173 563060870 /nfs/dbraw/zinc/06/08/70/563060870.db2.gz DCGMAIJUGRBTDA-UHFFFAOYSA-N 1 0 444.765 5.327 1 0 IKAFRO O=C(Nc1ccc(F)c(Cl)c1)N(CC[NH+]1CCCC1)[C@H]1CC=C(c2ccc[nH]2)CC1 ZINC000028650214 563061038 /nfs/dbraw/zinc/06/10/38/563061038.db2.gz COSMCCAKONHKTJ-IBGZPJMESA-N 1 0 430.955 5.373 1 0 IKAFRO Cc1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1)CC[N@H+](C)CC2 ZINC000028704219 563061773 /nfs/dbraw/zinc/06/17/73/563061773.db2.gz YRLIAFPIEWQNDG-UHFFFAOYSA-N 1 0 440.996 5.147 1 0 IKAFRO c1ccc(-c2cc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccnc(-c4ccccc4)c3)ccn2)cc1 ZINC000028707584 563062168 /nfs/dbraw/zinc/06/21/68/563062168.db2.gz JZTXTFWNWXKNQN-HNRBIFIRSA-N 1 0 446.598 5.659 1 0 IKAFRO O=C(Nc1cccc(OC(F)(F)F)c1)NC1CC[NH+](CC2=CCCCCCC2)CC1 ZINC000028708489 563062299 /nfs/dbraw/zinc/06/22/99/563062299.db2.gz XNJIFOSYEDGRKU-UHFFFAOYSA-N 1 0 425.495 5.452 1 0 IKAFRO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(NC(=O)Nc3cc(C(F)(F)F)ccc3F)CC1)=CC2 ZINC000028708712 563062401 /nfs/dbraw/zinc/06/24/01/563062401.db2.gz ZSRCUUFHASKDTD-YJBOKZPZSA-N 1 0 439.497 5.423 1 0 IKAFRO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(NC(=O)Nc3cncc(-c4ccsc4)c3)CC1)=CC2 ZINC000028708696 563062419 /nfs/dbraw/zinc/06/24/19/563062419.db2.gz VVANDXIOQZSNSW-REWPJTCUSA-N 1 0 436.625 5.388 1 0 IKAFRO COc1cc2cc(-c3ccc(C[N@H+](C)Cc4ccc(C)cc4)cc3)c(=O)oc2cc1OC ZINC000028710690 563062571 /nfs/dbraw/zinc/06/25/71/563062571.db2.gz RNNHOLLWKOWGSG-UHFFFAOYSA-N 1 0 429.516 5.418 1 0 IKAFRO CC(C)C(=O)Nc1cccc(C2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)c1 ZINC000028710575 563062589 /nfs/dbraw/zinc/06/25/89/563062589.db2.gz SYTDFMKLDHALDH-UHFFFAOYSA-N 1 0 428.576 6.453 1 0 IKAFRO COc1cccc(C[N@H+](C)Cc2ccc(-c3cc4cc(OC)c(OC)cc4oc3=O)cc2)c1 ZINC000028710693 563062636 /nfs/dbraw/zinc/06/26/36/563062636.db2.gz UIALHYCUMNMDDP-UHFFFAOYSA-N 1 0 445.515 5.118 1 0 IKAFRO Brc1cccc(/C=C/c2sc(Nc3ccccc3)n[n+]2-c2ccccc2)c1 ZINC000028712442 563063005 /nfs/dbraw/zinc/06/30/05/563063005.db2.gz KSUSFXCSSHYNKN-CCEZHUSRSA-N 1 0 435.370 6.096 1 0 IKAFRO CC[NH+](CC)CCOc1ccc(C2=C(c3ccc(F)cc3)COc3cc(OC)ccc32)cc1 ZINC000028761694 563063818 /nfs/dbraw/zinc/06/38/18/563063818.db2.gz MDQMJLICKBFTIX-UHFFFAOYSA-N 1 0 447.550 5.906 1 0 IKAFRO CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)N(CC[NH+](C)C)Cc2ccccc2)cc1 ZINC000028762633 563063854 /nfs/dbraw/zinc/06/38/54/563063854.db2.gz CLUPMQGKRZBFDZ-NDEPHWFRSA-N 1 0 443.635 5.322 1 0 IKAFRO CCN(CC)C(=O)c1ccc([C@@H](c2ccccc2)N(CC[NH+](C)C)Cc2ccccc2)cc1 ZINC000028762635 563063912 /nfs/dbraw/zinc/06/39/12/563063912.db2.gz CLUPMQGKRZBFDZ-MUUNZHRXSA-N 1 0 443.635 5.322 1 0 IKAFRO CC[NH+](CC)CCC[C@@H](C)Nc1nc2ccccc2c(Nc2ccc(Cl)c(Cl)c2)n1 ZINC000028771895 563064430 /nfs/dbraw/zinc/06/44/30/563064430.db2.gz VXORJMAHBRYZDV-MRXNPFEDSA-N 1 0 446.426 6.603 1 0 IKAFRO CC(=O)c1c(=O)n(CCC[NH+](C)C)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 ZINC000028772302 563064456 /nfs/dbraw/zinc/06/44/56/563064456.db2.gz IVIIXWLQQWDRGY-UHFFFAOYSA-N 1 0 444.362 5.038 1 0 IKAFRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc2cnn(Cc3ccc(Cl)cc3Cl)c2n1 ZINC000028817842 563064826 /nfs/dbraw/zinc/06/48/26/563064826.db2.gz WVFBWTWTRQHWIC-MRXNPFEDSA-N 1 0 434.415 5.709 1 0 IKAFRO COc1ccc(N2Cc3cc(Cl)c(Cl)cc3C2=O)cc1OCC[NH+]1CCC(C)CC1 ZINC000028819794 563065136 /nfs/dbraw/zinc/06/51/36/563065136.db2.gz DOLGNZVJVHFJNZ-UHFFFAOYSA-N 1 0 449.378 5.273 1 0 IKAFRO COc1ccc(N2C(=O)c3c(cccc3Cl)[C@@H]2C)cc1OCC[NH+]1CCC(C)CC1 ZINC000028819764 563065171 /nfs/dbraw/zinc/06/51/71/563065171.db2.gz MPRNTKMGUHUBMV-KRWDZBQOSA-N 1 0 428.960 5.181 1 0 IKAFRO C[C@H](CO)[NH2+]Cc1ccc(CN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)cc1 ZINC000028821667 563065445 /nfs/dbraw/zinc/06/54/45/563065445.db2.gz XLBZAYNWHDBFKB-MRXNPFEDSA-N 1 0 444.522 5.979 1 0 IKAFRO [NH3+]CCCCCN(C(=O)COc1ccc2ccccc2c1)C1CCC2(CC=CCC2)CC1 ZINC000028825936 563066293 /nfs/dbraw/zinc/06/62/93/563066293.db2.gz INNLZENSZBQEAB-UHFFFAOYSA-N 1 0 434.624 5.845 1 0 IKAFRO [NH3+]CCCCCN(C/C(Cl)=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 ZINC000028825922 563066295 /nfs/dbraw/zinc/06/62/95/563066295.db2.gz ZBYKLSYIJVULOQ-PTGBLXJZSA-N 1 0 438.015 5.728 1 0 IKAFRO [NH3+]CCCCCCCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12 ZINC000028825972 563066315 /nfs/dbraw/zinc/06/63/15/563066315.db2.gz QALNPRNSRRINJA-NTCAYCPXSA-N 1 0 431.624 5.942 1 0 IKAFRO CC[C@H](C)[NH2+]Cc1ccc(Nc2cc(-c3ccc(-c4ccc(O)cc4O)cc3)[nH]n2)cn1 ZINC000028868362 563067367 /nfs/dbraw/zinc/06/73/67/563067367.db2.gz TUWIBANTVSJOCR-INIZCTEOSA-N 1 0 429.524 5.182 1 0 IKAFRO COc1ccc(-c2ccc(CNC(=O)NC3CC[NH+](Cc4ccc(C)cc4)CC3)cc2)cc1 ZINC000028874111 563067578 /nfs/dbraw/zinc/06/75/78/563067578.db2.gz HTDUIVZICSSZOP-UHFFFAOYSA-N 1 0 443.591 5.134 1 0 IKAFRO CC[NH+](CC)Cc1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc6ccccc65)cc43)nc21 ZINC000028950072 563069493 /nfs/dbraw/zinc/06/94/93/563069493.db2.gz HAIHTRCFSLFERU-UHFFFAOYSA-N 1 0 447.546 5.558 1 0 IKAFRO COc1ccc2c(C)cc(N[C@H]3CCC[C@H]([NH2+]Cc4cccc5nsnc54)C3)nc2c1 ZINC000028951095 563069601 /nfs/dbraw/zinc/06/96/01/563069601.db2.gz WANPNPIZOBYJBU-ROUUACIJSA-N 1 0 433.581 5.069 1 0 IKAFRO CC[NH+](CC)CCOc1ccc([C@H](c2ccccc2)c2ccc(Cl)cc2)c2ccccc12 ZINC000028955538 563070158 /nfs/dbraw/zinc/07/01/58/563070158.db2.gz YOCHMIVZJKHEDX-GDLZYMKVSA-N 1 0 444.018 7.394 1 0 IKAFRO CC[NH+](CC)CCOc1ccc2ccccc2c1[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000028955573 563070170 /nfs/dbraw/zinc/07/01/70/563070170.db2.gz USXWCPBIAMCMOB-MUUNZHRXSA-N 1 0 427.563 6.880 1 0 IKAFRO CC[NH+](CC)CCOc1ccc([C@@H](c2ccccc2)c2ccc(F)cc2)c2ccccc12 ZINC000028956015 563070259 /nfs/dbraw/zinc/07/02/59/563070259.db2.gz FOAPUGLSLGYMKX-LJAQVGFWSA-N 1 0 427.563 6.880 1 0 IKAFRO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(Nc3nc4c(cccc4Br)s3)CC1)=CC2 ZINC000028957190 563070438 /nfs/dbraw/zinc/07/04/38/563070438.db2.gz MGNYUTNGVMPMAW-RDJZCZTQSA-N 1 0 446.458 5.928 1 0 IKAFRO CN(C(=O)Nc1cccc(C(F)(F)F)c1)C1CC[NH+](CC2=CC[C@H]3C[C@@H]2C3(C)C)CC1 ZINC000028956930 563070444 /nfs/dbraw/zinc/07/04/44/563070444.db2.gz VVHHAPWXOAZGHL-UWJYYQICSA-N 1 0 435.534 5.626 1 0 IKAFRO C[NH+](C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NC2CCCC2)n1 ZINC000028963540 563070877 /nfs/dbraw/zinc/07/08/77/563070877.db2.gz CZSWJDCPUDLFCC-UHFFFAOYSA-N 1 0 430.531 5.014 1 0 IKAFRO CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2[NH2+][C@H]1CCCc2ccccc21 ZINC000029042803 563072228 /nfs/dbraw/zinc/07/22/28/563072228.db2.gz RPWRCPNRVFIHNA-DQEYMECFSA-N 1 0 440.631 6.927 1 0 IKAFRO CC[C@@]1(CCCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)c2cc(Cl)ccc2NC1=O ZINC000029052509 563073042 /nfs/dbraw/zinc/07/30/42/563073042.db2.gz DHGGOBPBRRSUQD-XMMPIXPASA-N 1 0 446.422 5.586 1 0 IKAFRO O[C@@H](CCN1CC[N@@H+]2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccc(F)cc1 ZINC000029056362 563073406 /nfs/dbraw/zinc/07/34/06/563073406.db2.gz GAKAYJNKCDLKCE-KCHLEUMXSA-N 1 0 444.594 5.230 1 0 in-vivo IKAFRO O=C(NC1CC[NH+](Cc2ccc3cc(F)ccc3c2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000029123736 563073979 /nfs/dbraw/zinc/07/39/79/563073979.db2.gz UKWKEYSXRSOPMT-UHFFFAOYSA-N 1 0 438.546 6.040 1 0 IKAFRO CC(C)C1CCC([NH+]2CCC(C(=O)NCc3ccccc3)(c3ccc(F)cc3)CC2)CC1 ZINC000029133954 563076050 /nfs/dbraw/zinc/07/60/50/563076050.db2.gz LIOQJRGSJFWIQR-UHFFFAOYSA-N 1 0 436.615 5.691 1 0 IKAFRO Fc1ccc([C@@](c2ccc(Cl)cc2)(c2ccc(C[NH+]3CCCC3)cc2)n2ccnc2)cc1 ZINC000029134935 563076131 /nfs/dbraw/zinc/07/61/31/563076131.db2.gz XMDSHDUITWWPPB-MHZLTWQESA-N 1 0 445.969 6.112 1 0 IKAFRO Clc1cccc([C@](c2ccncc2)(c2ccc(C[NH+]3CCCC3)cc2)n2ccnc2)c1 ZINC000029135624 563076232 /nfs/dbraw/zinc/07/62/32/563076232.db2.gz GDBUZJROAYJSEO-AREMUKBSSA-N 1 0 428.967 5.368 1 0 IKAFRO Clc1ccc(Nc2nc(NCCC[NH+]3CCCCC3)nc3ccccc32)cc1Cl ZINC000029203510 563076302 /nfs/dbraw/zinc/07/63/02/563076302.db2.gz AQMIXYAGZVPEBV-UHFFFAOYSA-N 1 0 430.383 5.968 1 0 IKAFRO CC[NH+](CC)CCC[C@@H](C)Nc1nc2ccccc2c(Nc2cc(Cl)cc(Cl)c2)n1 ZINC000029203923 563076359 /nfs/dbraw/zinc/07/63/59/563076359.db2.gz IAZBMZWELCDTHX-MRXNPFEDSA-N 1 0 446.426 6.603 1 0 IKAFRO FC(F)(F)c1ccc(Nc2nc(NCCC[NH+]3CCCCC3)nc3ccccc32)cc1 ZINC000029203888 563076360 /nfs/dbraw/zinc/07/63/60/563076360.db2.gz OXNNSVKRZQXGKH-UHFFFAOYSA-N 1 0 429.490 5.680 1 0 IKAFRO C[NH+](C)C1CCC(Nc2nc3ccccc3c(Nc3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000029203477 563076364 /nfs/dbraw/zinc/07/63/64/563076364.db2.gz OTGDITWYQVKPGB-UHFFFAOYSA-N 1 0 429.490 5.677 1 0 IKAFRO C[N@@H+]1CCC[C@@H]1CCNc1nc(Nc2cccc(Br)c2)nc2ccccc21 ZINC000029206209 563076384 /nfs/dbraw/zinc/07/63/84/563076384.db2.gz CWTUZRJXNXDDQG-QGZVFWFLSA-N 1 0 426.362 5.032 1 0 IKAFRO CCc1ccnc2c(N[C@@H](C)CCC[NH3+])cc(OC)c(Oc3cccc(C(F)(F)F)c3)c12 ZINC000029346228 563078633 /nfs/dbraw/zinc/07/86/33/563078633.db2.gz CROJRPFCKYANGD-HNNXBMFYSA-N 1 0 447.501 6.156 1 0 IKAFRO CCC[N@@H+](c1ccncc1F)n1cc(C)c2cc(OC(=O)NCc3ccccc3)ccc21 ZINC000029390289 563078874 /nfs/dbraw/zinc/07/88/74/563078874.db2.gz NSXZYACTNFGWSM-UHFFFAOYSA-N 1 0 432.499 5.452 1 0 IKAFRO CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]([NH3+])CC(CC)(CC)CCc1cccc2ccccc21 ZINC000029390404 563078916 /nfs/dbraw/zinc/07/89/16/563078916.db2.gz MGXUXOGAYOIDAY-NYMACZPPSA-N 1 0 440.672 5.600 1 0 IKAFRO C[C@H]1[C@H]2Cc3ccc(SC(=O)c4ccccc4)cc3[C@]1(C)CC[N@@H+]2CCc1ccccc1 ZINC000029393933 563079076 /nfs/dbraw/zinc/07/90/76/563079076.db2.gz PXJBWCRIQUEDIZ-PLVCOEKASA-N 1 0 441.640 6.386 1 0 IKAFRO C[C@H]1[C@H]2Cc3ccc(SC(=O)c4ccccc4)cc3[C@]1(C)CC[N@@H+]2CCc1cccs1 ZINC000029403780 563079303 /nfs/dbraw/zinc/07/93/03/563079303.db2.gz NQKWKNOJILTFJL-DNKZPPIMSA-N 1 0 447.669 6.448 1 0 IKAFRO C[NH+](C)CCOc1ccc([C@]2(c3ccccc3)[C@@H](c3ccccc3)C2(Cl)Cl)cc1 ZINC000029406392 563079552 /nfs/dbraw/zinc/07/95/52/563079552.db2.gz IDPUGYXWCKNQJB-DNQXCXABSA-N 1 0 426.387 5.884 1 0 IKAFRO C[C@H](C[N@@H+]1CCCC[C@@H]1CC1CCCCC1)c1cccc([C@@H](O)c2cccc(Cl)c2)c1 ZINC000029411452 563079810 /nfs/dbraw/zinc/07/98/10/563079810.db2.gz URFNYEBRYIPPSY-KPGYKUMBSA-N 1 0 440.071 7.350 1 0 IKAFRO CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H]([NH2+]Cc1cccnc1)c1ccccc1 ZINC000029482066 563081125 /nfs/dbraw/zinc/08/11/25/563081125.db2.gz XXQAELFWFGIAAW-VWLOTQADSA-N 1 0 430.596 5.981 1 0 IKAFRO Cc1cc(Br)c(O)c(-c2[nH]c3ccc(C(N)=[NH2+])cc3c2CCc2ccccc2)c1 ZINC000029484397 563081303 /nfs/dbraw/zinc/08/13/03/563081303.db2.gz RBTVVKRGZONLEY-UHFFFAOYSA-N 1 0 448.364 5.681 1 0 IKAFRO COc1cccc(CC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccccc3)CC2)c1 ZINC000029563265 563082380 /nfs/dbraw/zinc/08/23/80/563082380.db2.gz SYFBGZRZCGJUEH-UHFFFAOYSA-N 1 0 440.591 5.212 1 0 IKAFRO C[C@@H](Cc1ccccc1)[NH+]1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000029565246 563082603 /nfs/dbraw/zinc/08/26/03/563082603.db2.gz BKAOISZSELRNGD-NRFANRHFSA-N 1 0 442.582 5.731 1 0 IKAFRO CCn1c2ccccc2nc1N(Cc1ccccc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000029567306 563082660 /nfs/dbraw/zinc/08/26/60/563082660.db2.gz MDDAUMFFPCLRQD-UHFFFAOYSA-N 1 0 438.619 5.770 1 0 IKAFRO COc1ccc(CC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccccc3)CC2)cc1 ZINC000029568596 563082828 /nfs/dbraw/zinc/08/28/28/563082828.db2.gz GIYFBXCUCPHTPT-UHFFFAOYSA-N 1 0 440.591 5.212 1 0 IKAFRO C[C@@H]1c2cccc3cccc(c23)[C@H]1C(=O)N(C)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1[NH+]1CCCC1 ZINC000029569445 563082951 /nfs/dbraw/zinc/08/29/51/563082951.db2.gz XWROGPXUCYJQLL-PZIWFPJOSA-N 1 0 432.608 5.065 1 0 IKAFRO C[C@@H](c1ccc(F)cc1)n1c2ccccc2nc1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000029569222 563082969 /nfs/dbraw/zinc/08/29/69/563082969.db2.gz ZJCNMXJGFOYQRQ-NRFANRHFSA-N 1 0 442.582 5.904 1 0 IKAFRO Fc1ccc(Cn2c3cc(F)ccc3nc2NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000029569549 563082972 /nfs/dbraw/zinc/08/29/72/563082972.db2.gz NSXAHZBPUKVOSP-UHFFFAOYSA-N 1 0 446.545 5.482 1 0 IKAFRO Nc1sc2c(c1C(=O)c1cccc(C(F)(F)F)c1)CC[N@@H+](CCCc1ccccc1)C2 ZINC000029570863 563083028 /nfs/dbraw/zinc/08/30/28/563083028.db2.gz XSWIIAHQEAQTIA-UHFFFAOYSA-N 1 0 444.522 5.571 1 0 IKAFRO Fc1ccc(Cn2c3ccc(F)cc3nc2NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000029571891 563083054 /nfs/dbraw/zinc/08/30/54/563083054.db2.gz HGWKTVUBSUHVSG-UHFFFAOYSA-N 1 0 446.545 5.482 1 0 IKAFRO CC[N@@H+]1CC[C@@](O)(c2ccc(Cl)c(Cl)c2)[C@@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000031840906 563083485 /nfs/dbraw/zinc/08/34/85/563083485.db2.gz OJDYOYOACQNEAI-JLTOFOAXSA-N 1 0 447.189 5.713 1 0 IKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2nccc(C)c2c1OCCCCCc1cccs1 ZINC000032023142 563084036 /nfs/dbraw/zinc/08/40/36/563084036.db2.gz GTTMJDJRDBOFLX-IBGZPJMESA-N 1 0 441.641 5.944 1 0 IKAFRO CN1c2ccc(OC(=O)Nc3ccccc3)cc2[C@]2(C)CC[N@@H+](CCc3ccccc3)[C@H]12 ZINC000032223229 563084182 /nfs/dbraw/zinc/08/41/82/563084182.db2.gz CNVUUIARARNSRA-BDYUSTAISA-N 1 0 427.548 5.280 1 0 IKAFRO Cc1cc(C)c2nc3c(c([C@H](O)[C@H]4CCCC[NH2+]4)c2c1)CC/C3=C\c1ccc(Cl)cc1 ZINC000033849123 563084879 /nfs/dbraw/zinc/08/48/79/563084879.db2.gz RBWRXGUYQAVWHA-UMLUSZKZSA-N 1 0 432.995 6.167 1 0 IKAFRO Cc1cc2c(cccc2OC[C@@H](O)C[N@H+]2CC[C@@H](c3ccc4scc(C)c4c3)C[C@@H]2C)[nH]1 ZINC000033999211 563085218 /nfs/dbraw/zinc/08/52/18/563085218.db2.gz QNRJDGABFBSZCM-NNWRFLSQSA-N 1 0 448.632 6.007 1 0 IKAFRO CC(C)[NH+](CC[C@]1(c2ccccc2)C(=O)N[C@@H](c2ccccc2)N2CCCC[C@@H]21)C(C)C ZINC000034079790 563085511 /nfs/dbraw/zinc/08/55/11/563085511.db2.gz IGHPVIUYETXOHE-STROYTFGSA-N 1 0 433.640 5.116 1 0 IKAFRO Nc1cc(C2CCCCC2)[nH+]c2ccc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)cc12 ZINC000034271358 563085938 /nfs/dbraw/zinc/08/59/38/563085938.db2.gz HUBNHNXKNZPWEP-MDWZMJQESA-N 1 0 439.481 6.535 1 0 IKAFRO CCCc1cc(N)c2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2[nH+]1 ZINC000034376844 563086196 /nfs/dbraw/zinc/08/61/96/563086196.db2.gz RHMZTDUJISCDBB-UHFFFAOYSA-N 1 0 449.476 6.708 1 0 IKAFRO C[N@@H+]1CCC[C@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CC1 ZINC000034631071 563086594 /nfs/dbraw/zinc/08/65/94/563086594.db2.gz WOJBHNJZTIILBM-NRFANRHFSA-N 1 0 445.447 6.295 1 0 IKAFRO FC(F)(F)c1cccc(N2CC[NH+](CCCCNc3ncc(-c4ccccc4)o3)CC2)c1 ZINC000034636853 563086678 /nfs/dbraw/zinc/08/66/78/563086678.db2.gz HXSZWCAHOHIEOA-UHFFFAOYSA-N 1 0 444.501 5.375 1 0 IKAFRO O=S(=O)(c1cccc2ccccc21)N1CCC(C[NH2+]Cc2ccc3ccccc3c2)CC1 ZINC000034802010 563087506 /nfs/dbraw/zinc/08/75/06/563087506.db2.gz LVLYSULVZNBICE-UHFFFAOYSA-N 1 0 444.600 5.184 1 0 IKAFRO O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000034802348 563087604 /nfs/dbraw/zinc/08/76/04/563087604.db2.gz USSNTKNKIDZPTF-UHFFFAOYSA-N 1 0 445.994 5.273 1 0 IKAFRO Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1C[NH3+])CN(c1ccc(Cl)cc1)C2=O ZINC000034806315 563087884 /nfs/dbraw/zinc/08/78/84/563087884.db2.gz ZFPIDBLQXYWDHM-UHFFFAOYSA-N 1 0 432.738 5.636 1 0 IKAFRO O=c1[nH]c2ccc(-c3cccc(O)c3)cc2cc1-c1cc2cc(C[NH+]3CCCCC3)ccc2[nH]1 ZINC000034804260 563087890 /nfs/dbraw/zinc/08/78/90/563087890.db2.gz ZUGRIAPYOYLOBA-UHFFFAOYSA-N 1 0 449.554 6.035 1 0 IKAFRO O=c1[nH]c2ccc(Br)cc2cc1-c1cc2cc(C[NH+]3CCCCC3)ccc2[nH]1 ZINC000034804241 563087901 /nfs/dbraw/zinc/08/79/01/563087901.db2.gz LZHCRWLAJUPZKK-UHFFFAOYSA-N 1 0 436.353 5.425 1 0 IKAFRO C[N@@H+]1CCC[C@H]1CCn1c(Cc2ccccc2)cc2ccc(NC(=N)c3cccs3)cc21 ZINC000034806410 563087969 /nfs/dbraw/zinc/08/79/69/563087969.db2.gz WLCGLOBRFMKLOV-QHCPKHFHSA-N 1 0 442.632 6.215 1 0 IKAFRO Cc1[nH]nc2cc(F)c(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3ccoc3)cc12 ZINC000035820220 563089979 /nfs/dbraw/zinc/08/99/79/563089979.db2.gz QRZGFWYMIXKLLF-IBGZPJMESA-N 1 0 442.494 5.281 1 0 IKAFRO FC(F)(F)c1cccc(N2CC[NH+](CCCCNc3ccc4ccccc4n3)CC2)c1 ZINC000035880231 563090253 /nfs/dbraw/zinc/09/02/53/563090253.db2.gz AMDRAFDQLSKJMW-UHFFFAOYSA-N 1 0 428.502 5.268 1 0 IKAFRO COc1ccccc1-c1cn2c(n1)nc(C)c(C[NH3+])c2-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000035998265 563090703 /nfs/dbraw/zinc/09/07/03/563090703.db2.gz GXEKVCVZSNLQEQ-UHFFFAOYSA-N 1 0 446.860 5.511 1 0 IKAFRO CN(C(=O)c1ccc(-c2ccc(Cl)cc2)nc1)[C@H]1CCc2cc(C[NH+](C)C)ccc2C1 ZINC000036126703 563091158 /nfs/dbraw/zinc/09/11/58/563091158.db2.gz NYUKWJXYAADYOO-DEOSSOPVSA-N 1 0 433.983 5.093 1 0 IKAFRO Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@H]2CO[C@@H](c2ccccc2)c2ccc(Cl)cc2)[N@@H+]3C)cc1 ZINC000036270784 563092499 /nfs/dbraw/zinc/09/24/99/563092499.db2.gz SWUYKZCLBQJENR-PNHLWVRCSA-N 1 0 446.034 7.021 1 0 IKAFRO CC(C)([NH2+]Cc1ccc(Cl)cc1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1O ZINC000036286632 563092560 /nfs/dbraw/zinc/09/25/60/563092560.db2.gz OLLAHMNWYVKZNL-UHFFFAOYSA-N 1 0 436.766 7.170 1 0 IKAFRO Cc1ccc(Oc2ccc3c(c2)occ(-c2ccc(N4CC[C@@H]([NH+](C)C)C4)nc2)c3=O)cc1 ZINC000036351537 563093263 /nfs/dbraw/zinc/09/32/63/563093263.db2.gz UUDYITTYWHKWMB-HXUWFJFHSA-N 1 0 441.531 5.096 1 0 IKAFRO CCc1ccc(-c2ccc3c(c2)occ(-c2ccc(N4CC[C@@H]([NH+](C)C)C4)nc2)c3=O)cc1 ZINC000036351621 563093373 /nfs/dbraw/zinc/09/33/73/563093373.db2.gz KHZXHCLAAWWJGQ-HSZRJFAPSA-N 1 0 439.559 5.225 1 0 IKAFRO O=C1[C@H](Cc2ccccc2)[NH2+]CCCC[C@H](c2ccc(Cl)cc2)N1Cc1ccccc1 ZINC000036383043 563094212 /nfs/dbraw/zinc/09/42/12/563094212.db2.gz CTMLSBZWEYRJQJ-IZZNHLLZSA-N 1 0 432.995 5.795 3 0 IKAFRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1)c1cccc2ccccc21 ZINC000036476089 563095540 /nfs/dbraw/zinc/09/55/40/563095540.db2.gz ZHUPEKHGIMUOGO-UOKFIYJESA-N 1 0 443.012 5.434 1 0 IKAFRO COc1ccc([C@@H]2CNC(=O)C23CC[NH+]([C@H]2CCCC[C@@H]2c2ccc(C)cc2)CC3)cc1 ZINC000038147554 563096306 /nfs/dbraw/zinc/09/63/06/563096306.db2.gz QXXZBLGXDWJYNL-ZNZIZOMTSA-N 1 0 432.608 5.026 1 0 IKAFRO COc1ccc([C@@H]2CNC(=O)C23CC[NH+]([C@@H]2CCCC[C@@H]2c2ccc(C)cc2)CC3)cc1 ZINC000038147556 563096339 /nfs/dbraw/zinc/09/63/39/563096339.db2.gz QXXZBLGXDWJYNL-UODIDJSMSA-N 1 0 432.608 5.026 1 0 IKAFRO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)c(Cl)c1)c1cccc2ccccc21 ZINC000038147660 563096346 /nfs/dbraw/zinc/09/63/46/563096346.db2.gz PMYMENPPVGYIAN-XRJVTAMDSA-N 1 0 441.402 6.538 1 0 IKAFRO CN(C(=O)c1ccc(-c2ccc(Cl)cn2)cc1)[C@H]1CCc2cc(C[NH+](C)C)ccc2C1 ZINC000038149877 563096633 /nfs/dbraw/zinc/09/66/33/563096633.db2.gz DLOFFPHEWSEQCT-DEOSSOPVSA-N 1 0 433.983 5.093 1 0 IKAFRO Nc1cc(-c2ccccc2)[nH+]c2ccc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)cc12 ZINC000038149833 563096653 /nfs/dbraw/zinc/09/66/53/563096653.db2.gz ZJZXOZUWWIPLAR-MDWZMJQESA-N 1 0 433.433 6.155 1 0 IKAFRO OC1(c2ccccc2)CC[NH+](CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1 ZINC000038309856 563097425 /nfs/dbraw/zinc/09/74/25/563097425.db2.gz SUNOKJAPKRXALX-UHFFFAOYSA-N 1 0 446.572 5.451 1 0 IKAFRO CCC(CC)c1cc([C@H]2CN3CC[C@H]2C[C@@H]3C[NH2+]Cc2ccco2)nc(-c2ccncc2)n1 ZINC000039960758 563099308 /nfs/dbraw/zinc/09/93/08/563099308.db2.gz MAGGUFQJITXTJX-ZDXQCDESSA-N 1 0 445.611 5.003 1 0 IKAFRO O=C1C[C@H](C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)Cc2oc(-c3ccccc3)cc21 ZINC000040391681 563099881 /nfs/dbraw/zinc/09/98/81/563099881.db2.gz VMIRJSPUFWFFPK-KRWDZBQOSA-N 1 0 444.506 5.852 1 0 IKAFRO CC(C)[NH+]1CCN(Cc2cc(Nc3ccnc4cc(Cl)ccc43)ccc2Cl)CC1 ZINC000040405807 563101287 /nfs/dbraw/zinc/10/12/87/563101287.db2.gz WEVWEYJRYRWKRU-UHFFFAOYSA-N 1 0 429.395 5.811 1 0 IKAFRO CC[C@H]1CCC[N@@H+]1CN1C(=O)c2cccc3c4oc(-c5ccccc5)nc4cc(c32)C1=O ZINC000040406519 563101382 /nfs/dbraw/zinc/10/13/82/563101382.db2.gz TYGGBXINXDIKGP-KRWDZBQOSA-N 1 0 425.488 5.076 1 0 IKAFRO Cc1ccc(C[NH+](Cc2ccc(O)c3ncccc23)Cc2ccc(O)c3ncccc23)cc1 ZINC000040420452 563102124 /nfs/dbraw/zinc/10/21/24/563102124.db2.gz JUTVCEPDUKZIQE-UHFFFAOYSA-N 1 0 435.527 5.705 1 0 IKAFRO CC(C)C1=CC(=O)N/C1=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H]([NH3+])CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000040421132 563102272 /nfs/dbraw/zinc/10/22/72/563102272.db2.gz CWLJITAGIPFLJD-UOJYZFCXSA-N 1 0 436.684 6.125 1 0 IKAFRO O=C1Cc2ccccc2N1Cc1ccc(C[NH+]2CCN(c3cccc4ccccc43)CC2)cc1 ZINC000040422720 563102518 /nfs/dbraw/zinc/10/25/18/563102518.db2.gz HKGRPZCFNRUNDH-UHFFFAOYSA-N 1 0 447.582 5.251 1 0 IKAFRO CC(C)(C)CC[NH+]1CCC(CNC(=O)Nc2cccc(Cl)c2)(c2ccccc2)CC1 ZINC000040423911 563102755 /nfs/dbraw/zinc/10/27/55/563102755.db2.gz PKQRYUSYILGVOB-UHFFFAOYSA-N 1 0 428.020 5.932 1 0 IKAFRO O=C1Nc2cc(Cl)ccc2C1=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000040428761 563103189 /nfs/dbraw/zinc/10/31/89/563103189.db2.gz VQUBRJKCPJZARY-QPLCGJKRSA-N 1 0 443.978 6.258 1 0 IKAFRO O=C1N=C(NC2CCCCC2)C2(CC[NH+](Cc3ccccc3)CC2)N1c1cccc(F)c1 ZINC000040429942 563103239 /nfs/dbraw/zinc/10/32/39/563103239.db2.gz PLPAEWRELXZNRK-UHFFFAOYSA-N 1 0 434.559 5.121 1 0 IKAFRO CC(C)(C)c1ccc(-c2nc3c(cccc3N3CC[NH+](Cc4cccs4)CC3)[nH]2)cc1 ZINC000040429954 563103279 /nfs/dbraw/zinc/10/32/79/563103279.db2.gz PSPJERCZIISKSG-UHFFFAOYSA-N 1 0 430.621 5.911 1 0 IKAFRO CCCC[N@H+](C)[C@H](C)[C@@H](c1ccc2cc(OCC(C)(C)C(=O)[O-])ccc2c1)n1ccnc1 ZINC000040556596 563104480 /nfs/dbraw/zinc/10/44/80/563104480.db2.gz JHXQEUXIBMCBIF-DVECYGJZSA-N 1 0 437.584 5.236 1 0 IKAFRO OC[C@H]([NH2+][C@]1(c2ccccc2)c2ccccc2C[C@H]1Cc1ccccc1)[C@H](O)c1ccccc1 ZINC000040527610 563104495 /nfs/dbraw/zinc/10/44/95/563104495.db2.gz YCEGDEQDUXNFIY-KWBMWPQYSA-N 1 0 449.594 5.029 1 0 IKAFRO CCCCCCOc1cccc2c1[C@@]13CC[N@H+](CC4CC4)[C@@H](C2)[C@]1(OC)CCC(=O)C3 ZINC000040540445 563104510 /nfs/dbraw/zinc/10/45/10/563104510.db2.gz OLILNRMPURWOJW-DOEKTCAHSA-N 1 0 425.613 5.062 1 0 IKAFRO COc1cc(NC(=O)c2ccc(Br)cc2)ccc1OCC[NH+](C(C)C)C(C)C ZINC000040567230 563105073 /nfs/dbraw/zinc/10/50/73/563105073.db2.gz YUDHDBOCFJMMLE-UHFFFAOYSA-N 1 0 449.389 5.208 1 0 IKAFRO CCN(C(=O)c1ccc(-c2ccccc2)cc1)c1ccc(OCC[NH+](CC)CC)c(OC)c1 ZINC000040568641 563105229 /nfs/dbraw/zinc/10/52/29/563105229.db2.gz RFSBLJQVMPYUFZ-UHFFFAOYSA-N 1 0 446.591 5.750 1 0 IKAFRO O[C@@H]1CC2([NH+]3CCCCC3)C[C@H](c3ccc(Cl)cc3)C1[C@@H](c1ccc(Cl)cc1)C2 ZINC000040577038 563105399 /nfs/dbraw/zinc/10/53/99/563105399.db2.gz ATIHADHTPYSEIA-JOACEPGESA-N 1 0 430.419 6.260 1 0 IKAFRO COc1ccc(C2=C(C)CN(c3ccc(Cl)cc3)C2=O)cc1OCC[NH+]1CCCCC1 ZINC000040812409 563106869 /nfs/dbraw/zinc/10/68/69/563106869.db2.gz FATUSYRTNMACEF-UHFFFAOYSA-N 1 0 440.971 5.034 1 0 IKAFRO CC(C)[NH+](CCOc1ccc(NC(=O)c2ccc3oc4ccccc4c3c2)cc1)C(C)C ZINC000040828428 563107054 /nfs/dbraw/zinc/10/70/54/563107054.db2.gz BOANDWPXXZLMFL-UHFFFAOYSA-N 1 0 430.548 6.336 1 0 IKAFRO C[NH+](C)CCOc1ccc2c(=O)cc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)oc2c1 ZINC000040846003 563107442 /nfs/dbraw/zinc/10/74/42/563107442.db2.gz JUNKWHWNYQNRQC-UHFFFAOYSA-N 1 0 437.580 5.701 1 0 IKAFRO Cc1cc(OC(F)(F)F)ccc1N1CCc2c1[nH+]ccc2-n1ccc(-c2nccs2)n1 ZINC000040860808 563108030 /nfs/dbraw/zinc/10/80/30/563108030.db2.gz FIUZUYYVNFIDRD-UHFFFAOYSA-N 1 0 443.454 5.292 1 0 IKAFRO COc1ccccc1N1CCc2nc(C)c(C[NH3+])c(-c3ccc(Cl)cc3Cl)c2C1=O ZINC000040861160 563108090 /nfs/dbraw/zinc/10/80/90/563108090.db2.gz LVTHXSQLBBBEBH-UHFFFAOYSA-N 1 0 442.346 5.034 1 0 IKAFRO Cc1c(C[NH+]2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040878560 563109571 /nfs/dbraw/zinc/10/95/71/563109571.db2.gz TZNGAHHNPRTWAF-UHFFFAOYSA-N 1 0 434.798 6.794 1 0 IKAFRO Cc1c(C[NH2+]C2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040892463 563110110 /nfs/dbraw/zinc/11/01/10/563110110.db2.gz AFZGUFJUAJQREI-UHFFFAOYSA-N 1 0 434.798 6.840 1 0 IKAFRO COc1cc2c(cc1CN[C@H]1CCC[NH2+][C@H]1c1ccccc1)[C@@](C)(C(F)(F)F)CCC2 ZINC000040918927 563111935 /nfs/dbraw/zinc/11/19/35/563111935.db2.gz PRBFCWQZDUFTDN-XWGVYQGASA-N 1 0 432.530 5.434 1 0 IKAFRO COc1cc2c(cc1CN[C@H]1CCC[NH2+][C@H]1c1ccccc1)[C@](C)(C(F)(F)F)CCC2 ZINC000040918928 563111968 /nfs/dbraw/zinc/11/19/68/563111968.db2.gz PRBFCWQZDUFTDN-OEMFJLHTSA-N 1 0 432.530 5.434 1 0 IKAFRO CC1([NH+]2CCC(n3c4ccccc4nc3-c3ccc4cc[nH]c4c3)CC2)CCCCCCC1 ZINC000040934023 563112297 /nfs/dbraw/zinc/11/22/97/563112297.db2.gz NPOOASADSCQJAU-UHFFFAOYSA-N 1 0 440.635 7.325 1 0 IKAFRO CC[C@H](Oc1ccccc1)C(=O)N(C[C@H]1CCC[NH2+]1)c1cccc(-c2ccccc2)c1OC ZINC000040939368 563113312 /nfs/dbraw/zinc/11/33/12/563113312.db2.gz ZETDKYWPINQKEO-GJZUVCINSA-N 1 0 444.575 5.305 1 0 IKAFRO O=C(NCC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000040956959 563114742 /nfs/dbraw/zinc/11/47/42/563114742.db2.gz NWKDHMOLGIJQDW-UHFFFAOYSA-N 1 0 445.312 5.654 1 0 IKAFRO CC(C)C[NH+]1CCC(c2ccn3c(c2)nc(-c2ccc(F)cc2)c3-c2ccnc(N)n2)CC1 ZINC000040974860 563115199 /nfs/dbraw/zinc/11/51/99/563115199.db2.gz QKZRZFKSEWJBQZ-UHFFFAOYSA-N 1 0 444.558 5.015 1 0 IKAFRO c1c2ccc(C3=[NH+]CCN3)cc2oc1-c1cccc(OCCCCOc2ccccc2)c1 ZINC000042989798 563116374 /nfs/dbraw/zinc/11/63/74/563116374.db2.gz NIWJTABDRTVEBM-UHFFFAOYSA-N 1 0 426.516 5.688 1 0 IKAFRO c1c2ccc(C3=[NH+]CCN3)cc2oc1-c1ccc(OCCCCCOc2ccccc2)cc1 ZINC000043013909 563116765 /nfs/dbraw/zinc/11/67/65/563116765.db2.gz ORNLLEBFNJTTNB-UHFFFAOYSA-N 1 0 440.543 6.078 1 0 IKAFRO C[C@@H]1CCC[N@@H+]1CCc1ccc(-c2ccc(S(=O)(=O)N3Cc4ccccc4C3)cc2)cc1 ZINC000043071095 563118057 /nfs/dbraw/zinc/11/80/57/563118057.db2.gz BBDRSBPNMMZEST-OAQYLSRUSA-N 1 0 446.616 5.085 1 0 IKAFRO CC(C)NC(=[NH2+])c1ccc2cc(-c3ccc(OCCCOc4ccccc4)cc3)oc2c1 ZINC000043079049 563118512 /nfs/dbraw/zinc/11/85/12/563118512.db2.gz KUDOFMHJTYZLHU-UHFFFAOYSA-N 1 0 428.532 6.271 1 0 IKAFRO FC(F)(F)c1cc(COCC2(c3ccccc3)CCC[NH2+]CCC2)cc(C(F)(F)F)c1 ZINC000043105393 563118626 /nfs/dbraw/zinc/11/86/26/563118626.db2.gz JEXOUFPHBGFBFW-UHFFFAOYSA-N 1 0 445.447 6.342 1 0 IKAFRO CC(C)NC(=[NH2+])c1ccc2oc(-c3cccc(OCCCOc4ccccc4)c3)cc2c1 ZINC000043119640 563118718 /nfs/dbraw/zinc/11/87/18/563118718.db2.gz RHOAUEHPGVPYRV-UHFFFAOYSA-N 1 0 428.532 6.271 1 0 IKAFRO CCn1c(C[NH2+]C2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000043123508 563119081 /nfs/dbraw/zinc/11/90/81/563119081.db2.gz ZKQDFEQENOGYCU-UHFFFAOYSA-N 1 0 448.825 7.229 1 0 IKAFRO CCC(=O)N(c1ccccc1)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000043195278 563119246 /nfs/dbraw/zinc/11/92/46/563119246.db2.gz VMWLQTUUMNDKAI-UHFFFAOYSA-N 1 0 426.604 6.116 1 0 IKAFRO CN1CCC[N@H+](Cc2ccc(-c3cccc(NC(=O)c4cccc(Cl)c4)c3)cc2)CC1 ZINC000045167870 563122434 /nfs/dbraw/zinc/12/24/34/563122434.db2.gz UMUKVTIUEPWRAM-UHFFFAOYSA-N 1 0 433.983 5.397 1 0 IKAFRO O=C(NC1CCC([NH+]2CCC(Cc3ccc(F)cc3)CC2)CC1)c1cc2ccccc2[nH]1 ZINC000045167718 563122442 /nfs/dbraw/zinc/12/24/42/563122442.db2.gz ACYRUAYWPOSKRC-UHFFFAOYSA-N 1 0 433.571 5.303 1 0 IKAFRO COc1ccc(C[NH2+]Cc2cccc(-c3cccc(-c4nc5c(cccc5C)[nH]4)c3)c2)cc1 ZINC000045167874 563122478 /nfs/dbraw/zinc/12/24/78/563122478.db2.gz GEJRBXXEAGGDRF-UHFFFAOYSA-N 1 0 433.555 6.504 1 0 IKAFRO C[NH+](C)Cc1cccc(-c2ccc(Nc3nccc(NC[C@H](O)c4ccccc4)n3)cc2)c1 ZINC000045168531 563122605 /nfs/dbraw/zinc/12/26/05/563122605.db2.gz HXRMFEWCMLWECW-VWLOTQADSA-N 1 0 439.563 5.094 1 0 IKAFRO CC(=O)Nc1ccc(C[NH2+][C@H]2Cc3ccc(-c4ccc(Cl)c(Cl)c4)cc3C2)cc1 ZINC000045186777 563122755 /nfs/dbraw/zinc/12/27/55/563122755.db2.gz PIGXUBNMQSSMGJ-QFIPXVFZSA-N 1 0 425.359 5.876 1 0 IKAFRO COCC[NH2+]Cc1nc(-c2ccc3c(c2)nccc3Nc2ccc(Cl)cc2F)cs1 ZINC000045187073 563122763 /nfs/dbraw/zinc/12/27/63/563122763.db2.gz RFYQDFWMIQYRCT-UHFFFAOYSA-N 1 0 442.947 5.630 1 0 IKAFRO O=C(Nc1ccc2c(c1)CCN2[C@@H]1CC[N@H+](Cc2csc3ccccc23)C1)c1ccco1 ZINC000045169161 563122777 /nfs/dbraw/zinc/12/27/77/563122777.db2.gz KJQHQTZXUUMRBW-OAQYLSRUSA-N 1 0 443.572 5.384 1 0 IKAFRO COc1ccc(C[NH2+]Cc2ccc(-c3cccc(-c4nc5c(cccc5C)[nH]4)c3)cc2)cc1 ZINC000045186554 563122785 /nfs/dbraw/zinc/12/27/85/563122785.db2.gz MLYOFCMWHXKZJH-UHFFFAOYSA-N 1 0 433.555 6.504 1 0 IKAFRO Cc1cccc2[nH]c(-c3ccc(-c4cccc(C[NH2+]CCCN5CCCC5=O)c4)cc3)nc21 ZINC000045188460 563123149 /nfs/dbraw/zinc/12/31/49/563123149.db2.gz QVJYGDKBJWPFBJ-UHFFFAOYSA-N 1 0 438.575 5.307 1 0 IKAFRO C[NH+](C)Cc1ccc(-c2ccc3c(c2)nccc3Nc2ccc(Oc3ccccc3)cc2)o1 ZINC000045190285 563123458 /nfs/dbraw/zinc/12/34/58/563123458.db2.gz DQJITXIHHXSGPQ-UHFFFAOYSA-N 1 0 435.527 7.092 1 0 IKAFRO C[C@H](CCCCC(=O)Nc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000045190312 563123476 /nfs/dbraw/zinc/12/34/76/563123476.db2.gz CFAYACFPSAGJTJ-QRWLVFNGSA-N 1 0 442.909 5.569 1 0 IKAFRO O=C(/C=C/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000045190771 563123609 /nfs/dbraw/zinc/12/36/09/563123609.db2.gz OVPPARVKZVMJMM-QDMAWREGSA-N 1 0 449.466 6.504 1 0 IKAFRO CCCCC[N@@H+]1CCCN(Cc2cccc(NC(=O)c3cc4ccccc4s3)c2)CC1 ZINC000045193266 563124081 /nfs/dbraw/zinc/12/40/81/563124081.db2.gz SSSLUJDXTNZXHF-UHFFFAOYSA-N 1 0 435.637 5.852 1 0 IKAFRO Fc1cc(Cl)ccc1Nc1ccnc2cc(-c3ccc(CN4CC[NH2+]CC4)o3)ccc21 ZINC000045195995 563124565 /nfs/dbraw/zinc/12/45/65/563124565.db2.gz IETFTEBDWVVSKA-UHFFFAOYSA-N 1 0 436.918 5.436 1 0 IKAFRO C[C@H](Cc1ccc(OCCOc2ccccc2)cc1)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000045196402 563124577 /nfs/dbraw/zinc/12/45/77/563124577.db2.gz GGNSYIUTZWUVQY-CLOONOSVSA-N 1 0 425.956 5.052 1 0 IKAFRO O=C(NCC1CCC(C[NH2+]CCCc2ccccc2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000045201606 563124673 /nfs/dbraw/zinc/12/46/73/563124673.db2.gz KVRFNQSBLQASMJ-UHFFFAOYSA-N 1 0 433.423 5.752 1 0 IKAFRO O=C(Nc1ccc(OC2CC[NH+](Cc3ccc(F)cc3)CC2)c(Cl)c1)c1cccs1 ZINC000045201476 563124691 /nfs/dbraw/zinc/12/46/91/563124691.db2.gz HYHWLZDIEFMGNZ-UHFFFAOYSA-N 1 0 444.959 5.836 1 0 IKAFRO CCc1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3cc(-c4cccc(Cl)c4)cs3)C2)cc1 ZINC000045201627 563124778 /nfs/dbraw/zinc/12/47/78/563124778.db2.gz UPYRRKVDGCFLHC-HXUWFJFHSA-N 1 0 439.024 5.883 1 0 IKAFRO CCC[C@@H](C)Nc1nc(N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(OC)cc2)cc(C)[nH+]1 ZINC000045202265 563124909 /nfs/dbraw/zinc/12/49/09/563124909.db2.gz BIACJLORPSIZKD-JPYJTQIMSA-N 1 0 447.583 5.056 1 0 IKAFRO O=C(/C=C/c1ccccc1O)N1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045202611 563125081 /nfs/dbraw/zinc/12/50/81/563125081.db2.gz YBFQXLFAQSHLHX-MDZDMXLPSA-N 1 0 443.591 5.005 1 0 IKAFRO CC(C)c1ccc(NC(=O)c2ccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccsc4)C3)cc2)cc1 ZINC000045202528 563125105 /nfs/dbraw/zinc/12/51/05/563125105.db2.gz MTIBQKRTTWKTAA-XMMPIXPASA-N 1 0 447.604 5.128 1 0 IKAFRO CC(C)CC[N@@H+]1CCCN(Cc2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000045202567 563125108 /nfs/dbraw/zinc/12/51/08/563125108.db2.gz YLGLSCDJZAZEOM-UHFFFAOYSA-N 1 0 435.656 5.790 1 0 IKAFRO CC[N@@H+]1CC[C@@]2(c3cccc(OC)c3)Cc3nc4ccccc4c(-c4ccccc4)c3C[C@@H]2C1 ZINC000045226856 563125399 /nfs/dbraw/zinc/12/53/99/563125399.db2.gz UEGULVGUPOVLGQ-XJFCNFDWSA-N 1 0 448.610 6.289 1 0 IKAFRO O=C1CCCN1CCC[NH2+]Cc1ccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)cc1 ZINC000045226497 563125413 /nfs/dbraw/zinc/12/54/13/563125413.db2.gz ODMDZKJPAOHSAV-UHFFFAOYSA-N 1 0 442.538 5.138 1 0 IKAFRO COc1ccccc1C[C@H]1CCC[N@@H+](C2CCC(NC(=O)c3cc4ccccc4[nH]3)CC2)C1 ZINC000045227099 563125500 /nfs/dbraw/zinc/12/55/00/563125500.db2.gz WZVZYWKRIWHYBJ-QUVATAORSA-N 1 0 445.607 5.172 1 0 IKAFRO COc1ccccc1C[C@@H]1CCC[N@@H+](C2CCC(NC(=O)c3cc4ccccc4[nH]3)CC2)C1 ZINC000045227096 563125537 /nfs/dbraw/zinc/12/55/37/563125537.db2.gz WZVZYWKRIWHYBJ-XOYNAWAESA-N 1 0 445.607 5.172 1 0 IKAFRO COc1ccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)cc3)cc2)cc1 ZINC000045228035 563125606 /nfs/dbraw/zinc/12/56/06/563125606.db2.gz CZTLSSJLYRKOJJ-UHFFFAOYSA-N 1 0 437.518 6.334 1 0 IKAFRO CCc1ccc(NC(=O)c2ccc(CN3CCC[N@H+](Cc4cccs4)CC3)cc2)cc1 ZINC000045228222 563125635 /nfs/dbraw/zinc/12/56/35/563125635.db2.gz BQPRVTGUDSOZIP-UHFFFAOYSA-N 1 0 433.621 5.271 1 0 IKAFRO COc1cc2[nH+]ccc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c2cc1OC ZINC000045228574 563125749 /nfs/dbraw/zinc/12/57/49/563125749.db2.gz OZVUGQWNEMCASZ-UHFFFAOYSA-N 1 0 428.467 5.533 1 0 IKAFRO O[C@H](c1cccc2ccccc21)[C@@H]1C[N@H+](CCc2ccccc2)CC[C@]1(O)c1ccccc1 ZINC000045229270 563125834 /nfs/dbraw/zinc/12/58/34/563125834.db2.gz XFFYVBZPCUFWIJ-JBOQNHBVSA-N 1 0 437.583 5.326 1 0 IKAFRO CCC[C@H](CNc1cc(=O)c2ccccc2[nH]1)C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000045231090 563126217 /nfs/dbraw/zinc/12/62/17/563126217.db2.gz VIGDXNBPKKRDTF-KRWDZBQOSA-N 1 0 433.474 5.045 1 0 IKAFRO Cc1ccccc1C1CC[NH+](C2CCC(NC(=O)/C=C/c3cc(F)cc(F)c3)CC2)CC1 ZINC000045229736 563126019 /nfs/dbraw/zinc/12/60/19/563126019.db2.gz ZHNOOIPSKDWRRZ-IZZDOVSWSA-N 1 0 438.562 5.593 1 0 IKAFRO c1ccc2[nH]c(-c3ccc(-c4cccc(C[NH+]5CCN(c6cc[nH+]cc6)CC5)c4)cc3)nc2c1 ZINC000045229814 563126020 /nfs/dbraw/zinc/12/60/20/563126020.db2.gz HRXFDAHXKLLPMG-UHFFFAOYSA-N 1 0 445.570 5.614 1 0 IKAFRO COc1ccccc1C[NH2+]CCCCCCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000045253626 563126926 /nfs/dbraw/zinc/12/69/26/563126926.db2.gz LIBPOHXYXUJAIC-UHFFFAOYSA-N 1 0 430.548 5.185 1 0 IKAFRO C[NH+](C)CC[C@H](NC(=O)c1cccc(-c2ccc3ccccc3c2)c1)c1ccc(Cl)cc1 ZINC000045286711 563128345 /nfs/dbraw/zinc/12/83/45/563128345.db2.gz JBMJUKFNCFTHQA-MHZLTWQESA-N 1 0 442.990 6.583 1 0 IKAFRO COc1ccc(-c2cccc(C(=O)N[C@H](CC[NH+](C)C)c3ccc4ccccc4c3)c2)cc1 ZINC000045286409 563128347 /nfs/dbraw/zinc/12/83/47/563128347.db2.gz BCZOKJKWCKRXQW-MUUNZHRXSA-N 1 0 438.571 5.938 1 0 IKAFRO Cc1ccc(NC(=O)c2ccc3ncccc3c2)cc1O[C@H]1CC[N@H+](Cc2ccco2)C1 ZINC000045301737 563129283 /nfs/dbraw/zinc/12/92/83/563129283.db2.gz INUJBOMTBYEIKV-QHCPKHFHSA-N 1 0 427.504 5.042 1 0 IKAFRO O[C@H](c1ccc2ccccc2c1)[C@@H]1C[N@H+](CCc2ccccc2)CC[C@]1(O)c1ccccc1 ZINC000045301561 563129286 /nfs/dbraw/zinc/12/92/86/563129286.db2.gz BLEPDVZKUWUXPR-JBOQNHBVSA-N 1 0 437.583 5.326 1 0 IKAFRO c1ccc(CC[NH2+]Cc2ccc(-c3cccc(CNc4ccc5ncccc5c4)c3)cc2)cc1 ZINC000045302936 563129691 /nfs/dbraw/zinc/12/96/91/563129691.db2.gz ZRFGNEPERWMLIE-UHFFFAOYSA-N 1 0 443.594 6.846 1 0 IKAFRO CCN(CCC[NH+]1CCCCC1)c1cc(C)nc(Nc2cccc(OC(F)(F)F)c2)n1 ZINC000045303047 563129697 /nfs/dbraw/zinc/12/96/97/563129697.db2.gz BLGPMQJOCIFMBF-UHFFFAOYSA-N 1 0 437.510 5.130 1 0 IKAFRO Cc1[nH]c2cc(C)ccc2c1C1=CC[N@H+](CCCC[C@@]2(C)c3ccccc3NC2=O)CC1 ZINC000045315462 563129795 /nfs/dbraw/zinc/12/97/95/563129795.db2.gz UIHWGNBWJSMEDG-NDEPHWFRSA-N 1 0 427.592 5.954 1 0 IKAFRO CCc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3cc(-c4ccccc4Cl)cs3)C2)cc1 ZINC000045316897 563129947 /nfs/dbraw/zinc/12/99/47/563129947.db2.gz JXKHYNWAUUPXPT-FQEVSTJZSA-N 1 0 439.024 5.883 1 0 IKAFRO COc1cc(-c2c(-c3ccncc3)nn3c2nccc3C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Cl ZINC000045317522 563129983 /nfs/dbraw/zinc/12/99/83/563129983.db2.gz YHSPQUQAMQWVAY-YQQQUEKLSA-N 1 0 445.954 5.118 1 0 IKAFRO CCc1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3cc(-c4ccccc4Cl)cs3)C2)cc1 ZINC000045316892 563129987 /nfs/dbraw/zinc/12/99/87/563129987.db2.gz JXKHYNWAUUPXPT-HXUWFJFHSA-N 1 0 439.024 5.883 1 0 IKAFRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(-c2cc3cc(Cl)c(Cl)cc3[nH]2)c1 ZINC000045317817 563130049 /nfs/dbraw/zinc/13/00/49/563130049.db2.gz CNVACQAZJPGNQX-INIZCTEOSA-N 1 0 444.406 6.136 1 0 IKAFRO c1ccc(C(OCCC2CC[NH+](Cc3cccc4cccnc43)CC2)c2ccccc2)cc1 ZINC000045322022 563130284 /nfs/dbraw/zinc/13/02/84/563130284.db2.gz KQLGRBLILWYDLB-UHFFFAOYSA-N 1 0 436.599 6.643 1 0 IKAFRO O=C(Nc1ccc(OC2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1)c1ccsc1 ZINC000045322732 563130589 /nfs/dbraw/zinc/13/05/89/563130589.db2.gz QSAUXZCNWRZLCV-UHFFFAOYSA-N 1 0 426.969 5.697 1 0 IKAFRO Cc1cnc(-c2ccc(NC(=O)c3coc4ccc(N5C[C@H](C)[NH+](C)[C@@H](C)C5)cc34)cc2)o1 ZINC000045323397 563130619 /nfs/dbraw/zinc/13/06/19/563130619.db2.gz IYQODWQEDAWPIT-IRXDYDNUSA-N 1 0 444.535 5.177 1 0 IKAFRO CCc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(-c4ccc(N(C)C)cc4)cs3)C2)cc1 ZINC000045323247 563130665 /nfs/dbraw/zinc/13/06/65/563130665.db2.gz PCMMSRBAVJWIOY-HSZRJFAPSA-N 1 0 433.621 5.048 1 0 IKAFRO C[NH+]1CCC(C(=O)Nc2cccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)cc3)c2)CC1 ZINC000045323382 563130668 /nfs/dbraw/zinc/13/06/68/563130668.db2.gz BUXIFRZRAPYNIB-UHFFFAOYSA-N 1 0 428.511 5.316 1 0 IKAFRO CN1CCC[N@H+](Cc2cccc(-c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)c2)CC1 ZINC000045323274 563130687 /nfs/dbraw/zinc/13/06/87/563130687.db2.gz UPKQGWAMXHIPHH-UHFFFAOYSA-N 1 0 433.983 5.397 1 0 IKAFRO CCOc1cc(C(=O)NCC[NH+](C(C)C)C(C)C)ccc1-c1nc2cc(Cl)ccc2[nH]1 ZINC000045323669 563130817 /nfs/dbraw/zinc/13/08/17/563130817.db2.gz DFTGGTMTVVAWRN-UHFFFAOYSA-N 1 0 442.991 5.131 1 0 IKAFRO Nc1cccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)s3)cc2)c1 ZINC000045334453 563131098 /nfs/dbraw/zinc/13/10/98/563131098.db2.gz IOXRHMIIDQOCMJ-UHFFFAOYSA-N 1 0 428.536 5.970 1 0 IKAFRO CSc1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3cc(-c4ccccc4F)cs3)C2)cc1 ZINC000045335377 563131236 /nfs/dbraw/zinc/13/12/36/563131236.db2.gz UQGIMHSSUUVPFC-GOSISDBHSA-N 1 0 440.609 5.528 1 0 IKAFRO Clc1ccc(N2C[C@H](CN3CC[NH2+]CC3)CC[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000045335517 563131252 /nfs/dbraw/zinc/13/12/52/563131252.db2.gz SLLNLWVFUSGGBR-AOMKIAJQSA-N 1 0 438.830 5.510 1 0 IKAFRO CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)s3)cc2)C1 ZINC000045335344 563131277 /nfs/dbraw/zinc/13/12/77/563131277.db2.gz ZTBJTWFEVISZIS-FQEVSTJZSA-N 1 0 448.567 5.150 1 0 IKAFRO Cc1cc2nc(-c3cccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)c3)[nH]c2cc1C ZINC000045335367 563131282 /nfs/dbraw/zinc/13/12/82/563131282.db2.gz LKLAWFVLGQJXOR-UHFFFAOYSA-N 1 0 438.575 5.241 1 0 IKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC([NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000045339307 563131861 /nfs/dbraw/zinc/13/18/61/563131861.db2.gz PWOQAMXMIVATHR-ZZXKWVIFSA-N 1 0 428.363 5.269 1 0 IKAFRO C[C@H](C[NH2+]CCN1CCCC1)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000045351730 563132340 /nfs/dbraw/zinc/13/23/40/563132340.db2.gz LWMASELEVXMBTL-JVAZTMFWSA-N 1 0 428.705 5.248 1 0 IKAFRO NC(=[NH2+])c1cc2c(cccc2O[C@@H](CNC(=O)Oc2ccccc2)c2ccccc2)s1 ZINC000045357337 563132729 /nfs/dbraw/zinc/13/27/29/563132729.db2.gz NJJGNTZNFLYOMP-FQEVSTJZSA-N 1 0 431.517 5.094 1 0 IKAFRO NC(=[NH2+])c1cc2c(cccc2O[C@H](CNC(=O)Oc2ccccc2)c2ccccc2)s1 ZINC000045357334 563132741 /nfs/dbraw/zinc/13/27/41/563132741.db2.gz NJJGNTZNFLYOMP-HXUWFJFHSA-N 1 0 431.517 5.094 1 0 IKAFRO C[C@@H](CCCCOCCc1ccccc1)[NH2+]C[C@@H](O)c1cc(Cl)c(N)c(Cl)c1 ZINC000045357979 563132815 /nfs/dbraw/zinc/13/28/15/563132815.db2.gz SGNYRPBAZJEXOO-HRAATJIYSA-N 1 0 425.400 5.017 1 0 IKAFRO NC(=[NH2+])c1cc2c(cc(F)cc2O[C@H](COC(=O)Nc2ccccc2)c2ccccc2)s1 ZINC000045371231 563133342 /nfs/dbraw/zinc/13/33/42/563133342.db2.gz CXQSAMSPGIRXHH-HXUWFJFHSA-N 1 0 449.507 5.693 1 0 IKAFRO NC(=[NH2+])c1cc2c(cc(F)cc2O[C@@H](COC(=O)Nc2ccccc2)c2ccccc2)s1 ZINC000045371235 563133346 /nfs/dbraw/zinc/13/33/46/563133346.db2.gz CXQSAMSPGIRXHH-FQEVSTJZSA-N 1 0 449.507 5.693 1 0 IKAFRO Cc1ccccc1NC(=O)OC[C@H](Oc1cccc2sc(C(N)=[NH2+])cc21)c1ccccc1 ZINC000045387526 563133912 /nfs/dbraw/zinc/13/39/12/563133912.db2.gz ABVQGTJUWOIMBS-NRFANRHFSA-N 1 0 445.544 5.863 1 0 IKAFRO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC=C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000045391091 563134092 /nfs/dbraw/zinc/13/40/92/563134092.db2.gz QWFFFANJVXUZLN-KRWDZBQOSA-N 1 0 431.448 6.636 1 0 IKAFRO O=C1NC(=O)C(=CNc2ccc(C[NH+]3CCCCC3)cc2)c2cc(-c3ccccc3)ccc21 ZINC000045497581 563134488 /nfs/dbraw/zinc/13/44/88/563134488.db2.gz PEOQCICSSJXJHR-ITYLOYPMSA-N 1 0 437.543 5.063 1 0 IKAFRO Cc1cc2cc(O)cc3oc(C[C@]4(C)Cc5[nH+]c(C)cc6cc(O)cc(c65)O4)cc(n1)c23 ZINC000049019402 563135501 /nfs/dbraw/zinc/13/55/01/563135501.db2.gz QFASAGFSZZZDBJ-AREMUKBSSA-N 1 0 426.472 5.494 1 0 IKAFRO COc1ccc(CC2CC[NH+](C[C@H](O)COc3cccc4[nH]c5ccccc5c43)CC2)cc1 ZINC000049035194 563136212 /nfs/dbraw/zinc/13/62/12/563136212.db2.gz GYVPBQWEZRVOPO-QFIPXVFZSA-N 1 0 444.575 5.024 1 0 IKAFRO CC1=C2C[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)C[NH2+][C@H]1[C@H]2C ZINC000052566087 563140804 /nfs/dbraw/zinc/14/08/04/563140804.db2.gz DBIRHIDQCYQDSK-FPVLXLKQSA-N 1 0 425.657 5.680 1 0 IKAFRO COc1ccc(/C=C2\C[N@H+](C)C[C@@H]3C2=NN(c2ccccc2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000052603518 563140809 /nfs/dbraw/zinc/14/08/09/563140809.db2.gz ZGZNFZMNAFLLAL-SBKMGBICSA-N 1 0 439.559 5.266 1 0 IKAFRO CCCc1nc(-c2ccccc2)c(C[NH2+]CCCN2CCN(c3ccc(C)c(C)c3)CC2)o1 ZINC000053296932 563141926 /nfs/dbraw/zinc/14/19/26/563141926.db2.gz RIVFPMOSCDGBFW-UHFFFAOYSA-N 1 0 446.639 5.213 1 0 IKAFRO O=c1c(C[NH2+][C@H](CO)CC2CCCCC2)coc2cccc(OCC3CCCCC3)c12 ZINC000053298305 563141987 /nfs/dbraw/zinc/14/19/87/563141987.db2.gz ZHMNEHUEHZCUSB-QFIPXVFZSA-N 1 0 427.585 5.173 1 0 IKAFRO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000058506674 563143809 /nfs/dbraw/zinc/14/38/09/563143809.db2.gz GIMVWSSMBYUNSF-OAQYLSRUSA-N 1 0 441.424 5.030 1 0 IKAFRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1[C@H](c1ccc(C(C)(C)C)cc1)c1cccc(O)c1 ZINC000058519763 563143859 /nfs/dbraw/zinc/14/38/59/563143859.db2.gz AHXMJVFHPCQZOY-RBISFHTESA-N 1 0 428.620 5.985 1 0 IKAFRO C[NH2+]CC[C@H](c1ccc2cc(-c3cc(OC)cc4ccccc43)ccc2c1)n1nnc(C)n1 ZINC000058590650 563145432 /nfs/dbraw/zinc/14/54/32/563145432.db2.gz KXIANTQTTWQIDL-HHHXNRCGSA-N 1 0 437.547 5.162 1 0 IKAFRO CC(C)[N@@H+]1CC2(CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000058626882 563145888 /nfs/dbraw/zinc/14/58/88/563145888.db2.gz DGFHXAOEKNNJGT-OAQYLSRUSA-N 1 0 433.930 5.698 1 0 IKAFRO CCCc1cc(-c2cncc(OC[C@@H]([NH3+])Cc3c[nH]c4ccccc34)c2)cc2c(C)[nH]nc21 ZINC000059206023 563146311 /nfs/dbraw/zinc/14/63/11/563146311.db2.gz FYXLHXKTNFICLL-QFIPXVFZSA-N 1 0 439.563 5.316 1 0 IKAFRO c1ccc([C@H]2[C@H]3C[N@@H+](Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cc1 ZINC000059938829 563146885 /nfs/dbraw/zinc/14/68/85/563146885.db2.gz QVEISLUVGUTKAZ-HXUOFSJXSA-N 1 0 442.606 6.770 3 0 IKAFRO [NH3+][C@@H](Cc1ccc(C(F)(F)F)cc1)c1csc(NC(=O)Nc2ccccc2Cl)n1 ZINC000061896103 563147334 /nfs/dbraw/zinc/14/73/34/563147334.db2.gz QNNNUFTUJNEHBA-AWEZNQCLSA-N 1 0 440.878 5.702 3 0 IKAFRO [NH3+][C@@H](Cc1ccc(Cl)cc1)c1csc(NC(=O)Nc2ccccc2-c2ccccc2)n1 ZINC000061896988 563147494 /nfs/dbraw/zinc/14/74/94/563147494.db2.gz RKMFZHDUEWMPDC-FQEVSTJZSA-N 1 0 448.979 6.350 3 0 IKAFRO [NH3+][C@H](Cc1ccc(F)cc1)c1csc(NC(=O)NC(c2ccccc2)c2ccccc2)n1 ZINC000061905514 563148404 /nfs/dbraw/zinc/14/84/04/563148404.db2.gz ASEJWTLIHNZVEB-OAQYLSRUSA-N 1 0 446.551 5.436 3 0 IKAFRO COc1ccc(NC(=O)Nc2nc([C@H]([NH3+])Cc3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC000061906964 563148659 /nfs/dbraw/zinc/14/86/59/563148659.db2.gz MLIYVMWGGOYHEY-MRXNPFEDSA-N 1 0 436.459 5.057 3 0 IKAFRO COc1ccc(N2c3ccccc3C[N@@H+](Cc3ccccc3)[C@@H](C)[C@H]2Cc2cccnc2)cc1 ZINC000061921048 563149143 /nfs/dbraw/zinc/14/91/43/563149143.db2.gz ANHLRXSRCGGNSH-YUDQIZAISA-N 1 0 449.598 6.244 3 0 IKAFRO O=C(NCC1=C(c2cccc3ccccc32)C[C@@H]2CC[C@H]1[N@@H+]2Cc1ccco1)c1cccnc1 ZINC000061921170 563149154 /nfs/dbraw/zinc/14/91/54/563149154.db2.gz UVMCVUHMMCICRM-RBISFHTESA-N 1 0 449.554 5.448 3 0 IKAFRO O=C(NCC1=C(c2cccc3ccccc32)C[C@@H]2CC[C@H]1[N@@H+]2Cc1ccco1)c1ccncc1 ZINC000061921165 563149158 /nfs/dbraw/zinc/14/91/58/563149158.db2.gz AQLDYUXTAQQKBA-RBISFHTESA-N 1 0 449.554 5.448 3 0 IKAFRO COc1ccccc1NC(=O)Nc1nc([C@H]([NH3+])Cc2ccc(C(F)(F)F)cc2)cs1 ZINC000061928710 563150330 /nfs/dbraw/zinc/15/03/30/563150330.db2.gz PROCXDFOMMTKEW-CQSZACIVSA-N 1 0 436.459 5.057 3 0 IKAFRO C[C@@H]([NH2+]CCCn1cnc2c1ncnc2OCc1ccccc1)c1cccc2ccccc21 ZINC000061935986 563150845 /nfs/dbraw/zinc/15/08/45/563150845.db2.gz YPPSODRYQVERRG-HXUWFJFHSA-N 1 0 437.547 5.299 3 0 IKAFRO Cc1ccc(NC(=O)c2ncn(CCC[NH2+][C@H](C)c3cccc4ccccc43)n2)cc1C ZINC000061936049 563150914 /nfs/dbraw/zinc/15/09/14/563150914.db2.gz UVZFUWVYPXPUBZ-HXUWFJFHSA-N 1 0 427.552 5.041 3 0 IKAFRO COc1ccc(-c2sc3ccccc3c2-c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000061947940 563151571 /nfs/dbraw/zinc/15/15/71/563151571.db2.gz UGVXVOZDLQHNQK-UHFFFAOYSA-N 1 0 443.612 7.109 3 0 IKAFRO O=C(Nc1ccccc1)c1c(-c2ccccc2)n(O)c2cc(Cl)c(Cl)cc2[n+]1=O ZINC000064274852 563152601 /nfs/dbraw/zinc/15/26/01/563152601.db2.gz GVRGMGVAWVPRLC-UHFFFAOYSA-O 1 0 427.267 5.019 1 0 IKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2nccc(C)c2c1OCc1ccc(C(F)(F)F)cc1 ZINC000064311483 563152668 /nfs/dbraw/zinc/15/26/68/563152668.db2.gz CCIGGLFLSUOPFK-INIZCTEOSA-N 1 0 447.501 5.689 1 0 IKAFRO c1ccc([C@@H]2CC3([NH+]4CCCCC4)C[C@@H](NCN4CCCC4)C2[C@H](c2ccccc2)C3)cc1 ZINC000064372866 563152697 /nfs/dbraw/zinc/15/26/97/563152697.db2.gz KQLFFCFQAHHKKO-DXRBEWIESA-N 1 0 443.679 5.604 1 0 IKAFRO c1ccc([C@@H]2CC3([NH+]4CCCC4)C[C@@H](NCN4CCCC4)C2[C@H](c2ccccc2)C3)cc1 ZINC000064361340 563152708 /nfs/dbraw/zinc/15/27/08/563152708.db2.gz QVJIOKGQFMBSOE-XBOJNMAYSA-N 1 0 429.652 5.214 1 0 IKAFRO CC(C)(C)CCN1CCC2(CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1=O ZINC000064503690 563153857 /nfs/dbraw/zinc/15/38/57/563153857.db2.gz HTULTBXWDOJTNX-UHFFFAOYSA-N 1 0 440.578 5.805 1 0 IKAFRO O=C(c1c2ccccc2n(-c2ccccc2)c1Cc1c(F)cccc1Cl)N1CC[NH2+]CC1 ZINC000064526626 563154392 /nfs/dbraw/zinc/15/43/92/563154392.db2.gz FCHVEQKBKCYQNN-UHFFFAOYSA-N 1 0 447.941 5.059 1 0 IKAFRO COc1ccccc1-c1cn2c(n1)nc(C)c(C[NH3+])c2-c1c(Cl)cc(Cl)cc1Cl ZINC000064528421 563154867 /nfs/dbraw/zinc/15/48/67/563154867.db2.gz KFUGVEHCEVBFRK-UHFFFAOYSA-N 1 0 447.753 5.799 1 0 IKAFRO FC(F)(F)[C@H]1C[C@@H](c2ccccc2)Nc2c(C[NH2+]C34CC5CC(CC(C5)C3)C4)cnn21 ZINC000064549052 563155618 /nfs/dbraw/zinc/15/56/18/563155618.db2.gz HLMSHPSRYXUUAT-HEKNWVKJSA-N 1 0 430.518 5.602 1 0 IKAFRO Cc1cc(C)c(-c2ccc3c(c2)[C@@H]([NH+]2CCN(C)CC2)Cc2ccccc2S3)c(C)c1 ZINC000064549324 563155718 /nfs/dbraw/zinc/15/57/18/563155718.db2.gz XNFVTFMFMPGVGG-VWLOTQADSA-N 1 0 428.645 6.275 1 0 IKAFRO C[NH+]1CCC(C(=O)OCc2ccc(Cl)c(Cl)c2)(c2ccc(Cl)c(Cl)c2)CC1 ZINC000064573143 563156361 /nfs/dbraw/zinc/15/63/61/563156361.db2.gz ZYVIOTLQWPTJJB-UHFFFAOYSA-N 1 0 447.189 6.007 1 0 IKAFRO FC(F)(F)c1ccc(CN[C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000066075336 563157397 /nfs/dbraw/zinc/15/73/97/563157397.db2.gz FKZGPBWOYWVDOZ-BGYRXZFFSA-N 1 0 430.436 5.915 1 0 IKAFRO O=C(CCC1CC[NH+](Cc2cccc(Cl)c2)CC1)c1cc2ccn3c2c(c1)CCC3=O ZINC000066100486 563158172 /nfs/dbraw/zinc/15/81/72/563158172.db2.gz KFFZZHWEFQETQO-UHFFFAOYSA-N 1 0 434.967 5.756 1 0 IKAFRO O=C(CCC1CC[NH+](Cc2ccccc2Cl)CC1)c1cc2ccn3c2c(c1)CCC3=O ZINC000066100485 563158206 /nfs/dbraw/zinc/15/82/06/563158206.db2.gz MRXNFHHIQYXLCZ-UHFFFAOYSA-N 1 0 434.967 5.756 1 0 IKAFRO COc1ccc(C[NH+]2CCC(CCC(=O)c3cc4ccn5c4c(c3)CCC5=O)CC2)cc1 ZINC000066101731 563158390 /nfs/dbraw/zinc/15/83/90/563158390.db2.gz YPTZNQZPLHCHTB-UHFFFAOYSA-N 1 0 430.548 5.111 1 0 IKAFRO COc1cc(COc2ccc([C@H](O)C3CC3)cc2)ccc1OCC[NH+](C(C)C)C(C)C ZINC000066258941 563160442 /nfs/dbraw/zinc/16/04/42/563160442.db2.gz CGUPOCPRGZAXBN-AREMUKBSSA-N 1 0 427.585 5.215 1 0 IKAFRO OC1(c2ccc(C(F)(F)F)c(Cl)c2)CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000066261924 563160786 /nfs/dbraw/zinc/16/07/86/563160786.db2.gz GJKZIYHJRDDOOV-UHFFFAOYSA-N 1 0 443.896 6.412 1 0 IKAFRO CC(C)Oc1ccc([C@@H]([NH2+]C2CCN(C(=O)Nc3ccccc3)CC2)c2cccnc2)cc1 ZINC000072102360 563162820 /nfs/dbraw/zinc/16/28/20/563162820.db2.gz DBDXGSSJPKYVCO-AREMUKBSSA-N 1 0 444.579 5.244 1 0 IKAFRO N=C(Nc1ccc2c(ccn2CCC[NH2+]C23CC4CC(CC(C4)C2)C3)c1)c1cccs1 ZINC000072106004 563162966 /nfs/dbraw/zinc/16/29/66/563162966.db2.gz YOEBUVWGGARKOJ-UHFFFAOYSA-N 1 0 432.637 6.089 1 0 IKAFRO Cc1ccc([C@@H]2C[C@@H](n3cc(-c4ccc(F)cc4)nn3)[C@H](O)C[N@@H+]2CC2CCCCC2)cc1 ZINC000072119770 563163787 /nfs/dbraw/zinc/16/37/87/563163787.db2.gz OIGNBZIMZUYPRD-OYUWMTPXSA-N 1 0 448.586 5.322 1 0 IKAFRO Brc1ccccc1-c1nc(C[NH2+]CC(c2ccccc2)c2ccccc2)co1 ZINC000072142832 563164850 /nfs/dbraw/zinc/16/48/50/563164850.db2.gz ZQTNVKOBHSMQRK-UHFFFAOYSA-N 1 0 433.349 6.026 1 0 IKAFRO CCC[N@@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OC(=O)Nc2cccc4ccccc42)c1-3 ZINC000072176063 563165497 /nfs/dbraw/zinc/16/54/97/563165497.db2.gz GSEIFCYYFLMJKI-SANMLTNESA-N 1 0 448.566 6.983 1 0 IKAFRO CC[NH2+]Cc1cncc(-c2ccc3[nH]nc(-c4nc5cc(C(C)(C)C)ccc5[nH]4)c3c2)c1C ZINC000072177799 563166128 /nfs/dbraw/zinc/16/61/28/563166128.db2.gz BTZKLNXUUNMKEA-UHFFFAOYSA-N 1 0 438.579 5.884 1 0 IKAFRO O=C(N[C@@H](c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1)c1ccc2cnc(Cl)cc2c1 ZINC000072178717 563166289 /nfs/dbraw/zinc/16/62/89/563166289.db2.gz UVUBWDHJWHNJKU-OAQYLSRUSA-N 1 0 448.781 5.666 1 0 IKAFRO O=C(Nc1cccc(O)c1)c1ccc(OCCC[NH+]2CCCC2)cc1OCc1ccccc1 ZINC000072181011 563167064 /nfs/dbraw/zinc/16/70/64/563167064.db2.gz HPLNIEBBVCFTRV-UHFFFAOYSA-N 1 0 446.547 5.088 1 0 IKAFRO CCN(Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072182100 563167342 /nfs/dbraw/zinc/16/73/42/563167342.db2.gz AGRBAIWRSFYYIK-JOCHJYFZSA-N 1 0 429.486 5.457 1 0 IKAFRO O=C(Nc1cccc(F)c1)c1ccc(OCCC[NH+]2CCCC2)cc1OCc1ccccc1 ZINC000072182601 563167510 /nfs/dbraw/zinc/16/75/10/563167510.db2.gz QAUPWQMJWLCQGO-UHFFFAOYSA-N 1 0 448.538 5.522 1 0 IKAFRO Cc1cccc(C)c1Oc1c(C(=O)N2CC[NH2+][C@@H](C)C2)c2ncccc2n1C1CCCCC1 ZINC000072183875 563167662 /nfs/dbraw/zinc/16/76/62/563167662.db2.gz KGUJYRTYDONZSI-FQEVSTJZSA-N 1 0 446.595 5.385 1 0 IKAFRO CCCCC[C@H](C)[NH2+]Cc1coc(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)n1 ZINC000072184970 563167949 /nfs/dbraw/zinc/16/79/49/563167949.db2.gz JVRPGOWYIPUHKF-KRWDZBQOSA-N 1 0 447.406 7.286 1 0 IKAFRO Fc1cc(Cl)ccc1N1CCC([NH2+][C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000072186466 563168280 /nfs/dbraw/zinc/16/82/80/563168280.db2.gz JLLMEXHLPNTIKG-HSZRJFAPSA-N 1 0 430.354 5.876 1 0 IKAFRO COc1cc(-c2nc(C[NH2+]CC(c3ccccc3)c3ccccc3)co2)cc(OC)c1OC ZINC000072186381 563168297 /nfs/dbraw/zinc/16/82/97/563168297.db2.gz RIPYUXFUPBTPSM-UHFFFAOYSA-N 1 0 444.531 5.289 1 0 IKAFRO CC(C)c1c(OC[C@H](O)C[NH2+]Cc2ccccc2)ccc2c1CC[C@H]1C(C)(C)CCC[C@]21C ZINC000073198206 563169994 /nfs/dbraw/zinc/16/99/94/563169994.db2.gz MWMMCUURYAJKBS-VTTCDHFQSA-N 1 0 449.679 6.370 1 0 IKAFRO Cc1ccc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OCC[NH+](C)C ZINC000073222490 563170691 /nfs/dbraw/zinc/17/06/91/563170691.db2.gz CTKIYVFEDVETGX-UHFFFAOYSA-N 1 0 449.395 5.617 1 0 IKAFRO C[C@@](NC(=O)CC[NH+]1CCC(c2ccccc2)CC1)(c1ccncc1)c1ccc(Cl)cc1 ZINC000073224998 563171097 /nfs/dbraw/zinc/17/10/97/563171097.db2.gz ZYPYRTNKOSHLCU-MHZLTWQESA-N 1 0 448.010 5.384 1 0 IKAFRO O=C(CC[NH+]1CCC(c2ccccc2)CC1)N[C@@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000073224996 563171121 /nfs/dbraw/zinc/17/11/21/563171121.db2.gz OHCYMWMINBEKJI-AREMUKBSSA-N 1 0 433.983 5.210 1 0 IKAFRO O=C(CC[NH+]1CCC(c2ccccc2)CC1)N[C@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000073224995 563171165 /nfs/dbraw/zinc/17/11/65/563171165.db2.gz OHCYMWMINBEKJI-SANMLTNESA-N 1 0 433.983 5.210 1 0 IKAFRO FC(F)(F)c1ccc(-c2cnc3nc(N4CCC([NH+]5CCCCC5)CC4)oc3c2)cc1 ZINC000073280764 563171811 /nfs/dbraw/zinc/17/18/11/563171811.db2.gz MATFYLMKSWRGBD-UHFFFAOYSA-N 1 0 430.474 5.363 1 0 IKAFRO CC(C)[C@H](O)c1cccc(-c2cnc3nc(N4CCC([NH+]5CCCCC5)CC4)oc3c2)c1 ZINC000073294320 563171977 /nfs/dbraw/zinc/17/19/77/563171977.db2.gz JWLAXWHEGORTMK-DEOSSOPVSA-N 1 0 434.584 5.034 1 0 IKAFRO [NH3+]CCSC(c1ccccc1)(c1ccccc1)c1ccc(I)cc1 ZINC000073389257 563172714 /nfs/dbraw/zinc/17/27/14/563172714.db2.gz AAXSDWYFLXELGA-UHFFFAOYSA-N 1 0 445.369 5.275 1 0 IKAFRO CC1=C2C[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)C[NH2+][C@H]1[C@H]2C ZINC000073413539 563172788 /nfs/dbraw/zinc/17/27/88/563172788.db2.gz DNORVFYGTIFDLD-GGMUODEGSA-N 1 0 427.673 5.472 1 0 IKAFRO CCCC[N@@H+]1C[C@H](C(=O)OC2CCCCC2)C[C@H]2c3cccc4c3c(cn4C(C)C)C[C@H]21 ZINC000078159335 563172882 /nfs/dbraw/zinc/17/28/82/563172882.db2.gz ONLUPAGVWPDBBI-LJGDZFJRSA-N 1 0 436.640 6.228 1 0 IKAFRO Oc1ccc2c(c1)[C@]13CC[N@H+](CCc4ccccc4)[C@H](C2)[C@@H]1Cc1cc2ccccc2nc1C3 ZINC000082150482 563173073 /nfs/dbraw/zinc/17/30/73/563173073.db2.gz PVRBNOJOCABNBR-LXLYTFERSA-N 1 0 446.594 5.466 1 0 IKAFRO C[C@H](NC(=O)CC[NH+]1CCC(c2ccccc2)CC1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000082153591 563173482 /nfs/dbraw/zinc/17/34/82/563173482.db2.gz IBCCOEKGSJCDIL-HNNXBMFYSA-N 1 0 445.394 5.317 1 0 IKAFRO COc1cc(OC)cc(-c2ccc(Cc3cn(Cc4cc(F)cc(F)c4)c(N)[nH+]3)cc2)c1 ZINC000082157907 563173760 /nfs/dbraw/zinc/17/37/60/563173760.db2.gz ORBISPNVMHCAMB-UHFFFAOYSA-N 1 0 435.474 5.067 1 0 IKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2nccc(C)c2c1Oc1ccccc1Br ZINC000082157214 563173788 /nfs/dbraw/zinc/17/37/88/563173788.db2.gz QWHSESLCNQNHOS-HNNXBMFYSA-N 1 0 444.373 5.646 1 0 IKAFRO c1ccc2oc(-c3ccc(OCCCNc4c5ccccc5[nH+]c5c4CCCC5)cc3)nc2c1 ZINC000084616509 563174320 /nfs/dbraw/zinc/17/43/20/563174320.db2.gz NKOMTERCWGMQCG-UHFFFAOYSA-N 1 0 449.554 6.803 1 0 IKAFRO O=C(N[C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3F)C[C@H]21)C(C1CCCCC1)C1CCCCC1 ZINC000084652301 563174949 /nfs/dbraw/zinc/17/49/49/563174949.db2.gz JLXXCLSUOAQVBS-FBILRYNDSA-N 1 0 440.647 5.929 1 0 IKAFRO Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc([C@H](C)[NH2+]CC(C)(C)O)cnc21 ZINC000084671955 563175499 /nfs/dbraw/zinc/17/54/99/563175499.db2.gz MRIYVMHCGWNLAX-SFHVURJKSA-N 1 0 447.579 5.006 1 0 IKAFRO Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc([C@@H](C)[NH+]3CCCCC3)cnc21 ZINC000084705133 563176713 /nfs/dbraw/zinc/17/67/13/563176713.db2.gz RJUBOKLKRKNIFB-HXUWFJFHSA-N 1 0 443.591 6.131 1 0 IKAFRO O=C(Nc1ccccc1N1CC[NH2+]CC1)c1csc(-c2ccc(-c3ccccc3)s2)n1 ZINC000084704638 563176732 /nfs/dbraw/zinc/17/67/32/563176732.db2.gz LPCLJEBTYGLTNV-UHFFFAOYSA-N 1 0 446.601 5.201 1 0 IKAFRO C[C@H](c1ccccn1)[NH+]1CCC2(CC1)c1ccccc1N(c1cnc3ccccc3c1)C2=O ZINC000084706009 563176950 /nfs/dbraw/zinc/17/69/50/563176950.db2.gz OAICMHUBSGRQPL-HXUWFJFHSA-N 1 0 434.543 5.403 1 0 IKAFRO CO[C@@H]1Cc2sc(C(=O)c3ccccc3)cc2C2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000084723198 563177992 /nfs/dbraw/zinc/17/79/92/563177992.db2.gz VTJNWFYEYUNIJC-DEOSSOPVSA-N 1 0 433.573 5.016 1 0 IKAFRO Cc1cccnc1C[NH+]1CCC2(CC1)c1ccccc1N(c1cnc3ccccc3c1)C2=O ZINC000084723387 563178013 /nfs/dbraw/zinc/17/80/13/563178013.db2.gz QSLGMVJJZCKRSJ-UHFFFAOYSA-N 1 0 434.543 5.150 1 0 IKAFRO COc1ccc(-c2scc3c2C[C@H](OC)OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000095552707 563180881 /nfs/dbraw/zinc/18/08/81/563180881.db2.gz AUFQIIRSCHGCMZ-XMMPIXPASA-N 1 0 435.589 5.460 1 0 IKAFRO CO[C@H]1Cc2c(csc2-c2ccc(C(C)=O)cc2)C2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000095554491 563181192 /nfs/dbraw/zinc/18/11/92/563181192.db2.gz SYZBACAGEPWXAA-RUZDIDTESA-N 1 0 447.600 5.654 1 0 IKAFRO COc1ccc(-c2cc3c(s2)C[C@@H](OC)OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000095554892 563181197 /nfs/dbraw/zinc/18/11/97/563181197.db2.gz VLCLAHWOFFEFJM-VWLOTQADSA-N 1 0 435.589 5.460 1 0 IKAFRO COc1ccc(C[NH2+]C[C@@H](C)[C@H]2CCC3=Cc4c(cc(C)oc4=O)O[C@H]3C2)c2ccccc12 ZINC000095554775 563181200 /nfs/dbraw/zinc/18/12/00/563181200.db2.gz ZJLLGGHESOCIEU-LGRWACDXSA-N 1 0 445.559 5.480 1 0 IKAFRO CO[C@@H]1Cc2c(csc2-c2ccc(C(C)=O)cc2)C2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000095554490 563181240 /nfs/dbraw/zinc/18/12/40/563181240.db2.gz SYZBACAGEPWXAA-VWLOTQADSA-N 1 0 447.600 5.654 1 0 IKAFRO Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)C[NH2+]Cc3cc(O)cc4ccccc43)C[C@@H]1O2 ZINC000095557311 563181601 /nfs/dbraw/zinc/18/16/01/563181601.db2.gz ZANSAHDRCKEXGS-YLNNLZOCSA-N 1 0 431.532 5.177 1 0 IKAFRO CN1CC[NH+](CCc2ccc([C@@H](c3ccccc3)C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000095557797 563181695 /nfs/dbraw/zinc/18/16/95/563181695.db2.gz LYYKTBPUPZEIDM-PHPBTLJDSA-N 1 0 428.664 5.825 1 0 IKAFRO Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)C[NH2+]Cc3ccc4cc(O)ccc4c3)C[C@@H]1O2 ZINC000095557711 563181705 /nfs/dbraw/zinc/18/17/05/563181705.db2.gz OMQIQAFQFORXPJ-GSQWSPMESA-N 1 0 431.532 5.177 1 0 IKAFRO c1ccc([C@H](c2ccc(CCC[NH+]3CCCCC3)cc2)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000095559364 563181978 /nfs/dbraw/zinc/18/19/78/563181978.db2.gz REMBWHNPACHZFU-QTOQHBCNSA-N 1 0 427.676 7.453 1 0 IKAFRO O=c1c(C[N@H+](CCO)CC2CCCCC2)coc2cccc(OCC3CCCCC3)c12 ZINC000095563206 563182847 /nfs/dbraw/zinc/18/28/47/563182847.db2.gz MHGTXKGCDDUMDE-UHFFFAOYSA-N 1 0 427.585 5.127 1 0 IKAFRO C[N@H+](CCCCCCCOc1cccc(-c2cc3ccccc3o2)c1)Cc1ccccc1 ZINC000095576777 563186059 /nfs/dbraw/zinc/18/60/59/563186059.db2.gz KZCBXFYBDMOIIA-UHFFFAOYSA-N 1 0 427.588 7.561 1 0 IKAFRO Nc1nc(Nc2ccc3[nH+]c(-c4ccc(F)cc4)cc(N)c3c2)cc(-c2ccccc2F)n1 ZINC000095576535 563186063 /nfs/dbraw/zinc/18/60/63/563186063.db2.gz PVOWVOIGCPOLMV-UHFFFAOYSA-N 1 0 440.457 5.545 1 0 IKAFRO C[NH+](C)CCOc1ccc(-c2nc(-c3ccc(F)c(Cl)c3)c(-c3ccncc3)[nH]2)cc1 ZINC000095589919 563189842 /nfs/dbraw/zinc/18/98/42/563189842.db2.gz VCKBXWWRSZEHIZ-UHFFFAOYSA-N 1 0 436.918 5.539 1 0 IKAFRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2csc(-c3cccc4ccccc43)c21 ZINC000095601399 563192787 /nfs/dbraw/zinc/19/27/87/563192787.db2.gz ZTFVDHZAPWPCOA-UHFFFAOYSA-N 1 0 425.553 6.230 1 0 IKAFRO FC(F)(F)c1cc(COC[C@@]2(c3ccccc3)CCCC[NH2+]C2)cc(C(F)(F)F)c1 ZINC000095602268 563193141 /nfs/dbraw/zinc/19/31/41/563193141.db2.gz GDUGRYUTQQIHKS-HXUWFJFHSA-N 1 0 431.420 5.952 1 0 IKAFRO COc1cc2c(c(OCC[NH+]3CCCC3)c1)[C@H](c1ccccc1)[C@@H](c1ccccc1)C2(C)C ZINC000095602972 563193289 /nfs/dbraw/zinc/19/32/89/563193289.db2.gz ROBNSHUFXNTSHF-LMSSTIIKSA-N 1 0 441.615 6.377 1 0 IKAFRO C[N@@H+]1CC[C@H](Oc2cc(NCc3ccccc3Br)ccc2C(F)(F)F)C1 ZINC000095604509 563193721 /nfs/dbraw/zinc/19/37/21/563193721.db2.gz KVPUYEWVBCFJKC-HNNXBMFYSA-N 1 0 429.280 5.163 1 0 IKAFRO C[NH+](C)Cc1cccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn23)c1 ZINC000096168191 563195229 /nfs/dbraw/zinc/19/52/29/563195229.db2.gz PRXXPQDARPITFQ-UHFFFAOYSA-N 1 0 435.531 5.499 1 0 IKAFRO CCCOc1ccc(Cl)cc1-c1cccn2nc(Nc3ccc4c(c3)CC[NH2+]CC4)nc12 ZINC000096169810 563195479 /nfs/dbraw/zinc/19/54/79/563195479.db2.gz JPRWWTRRZCSZEI-UHFFFAOYSA-N 1 0 447.970 5.270 1 0 IKAFRO Cc1c(OCCCCCC[NH+]2CCC(O)CC2)ccc2c(=O)cc(-c3ccccc3)oc12 ZINC000096271270 563196785 /nfs/dbraw/zinc/19/67/85/563196785.db2.gz KNVRTFGEXWYNHE-UHFFFAOYSA-N 1 0 435.564 5.164 1 0 IKAFRO C[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc54)cc3)cc2)cc1 ZINC000096927670 563198173 /nfs/dbraw/zinc/19/81/73/563198173.db2.gz WNUAHXYWSWGRST-UHFFFAOYSA-O 1 0 446.534 5.799 1 0 IKAFRO Cc1cc(=O)oc2cc(OC/C=C/C[NH+]3CCC(c4noc5cc(F)ccc54)CC3)ccc12 ZINC000096929481 563198555 /nfs/dbraw/zinc/19/85/55/563198555.db2.gz YIIXRNABTOPDGG-NSCUHMNNSA-N 1 0 448.494 5.196 1 0 IKAFRO CC[NH+](CC)CCOc1nc2c(-c3ccc(C(F)(F)F)cc3)cnn2c2ccccc21 ZINC000096933168 563198954 /nfs/dbraw/zinc/19/89/54/563198954.db2.gz STNDKQJNWQRVOL-UHFFFAOYSA-N 1 0 428.458 5.289 1 0 IKAFRO CC(C)Sc1nnc(-c2c(C[NH2+]C3CC3)c3cc(F)ccc3n2C)n1-c1ccccc1 ZINC000096933334 563199050 /nfs/dbraw/zinc/19/90/50/563199050.db2.gz MXZJARJAEHYAGD-UHFFFAOYSA-N 1 0 435.572 5.318 1 0 IKAFRO CC(C)Sc1nnc(-c2c(C[NH2+]CC3CC3)c3cc(F)ccc3n2C)n1-c1ccccc1 ZINC000096933335 563199051 /nfs/dbraw/zinc/19/90/51/563199051.db2.gz BOVZAKJEWLICMB-UHFFFAOYSA-N 1 0 449.599 5.565 1 0 IKAFRO C[NH+](C)CCOc1ccc(C(C)(C)C)cc1[C@]1(c2ccccc2)c2ccccc2NC1=O ZINC000096937524 563199569 /nfs/dbraw/zinc/19/95/69/563199569.db2.gz ONFHKJAAGMXMDK-NDEPHWFRSA-N 1 0 428.576 5.211 1 0 IKAFRO COc1ccccc1CSc1cc2ccccc2[n+](CCCCCC2CCCCC2)c1 ZINC000096939343 563199957 /nfs/dbraw/zinc/19/99/57/563199957.db2.gz OQVJZXUJOVGZTE-UHFFFAOYSA-N 1 0 434.669 7.569 1 0 IKAFRO Fc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(OCC[NH+]4CCCCC4)cc3)[nH]2)cc1 ZINC000098082751 563200617 /nfs/dbraw/zinc/20/06/17/563200617.db2.gz FLRJDNNKJDNARH-UHFFFAOYSA-N 1 0 441.550 6.415 1 0 IKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(C)c3)O2)[C@H]2C(C)=CC(C)(C)[NH2+][C@H]2C=C1 ZINC000089780970 581099594 /nfs/dbraw/zinc/09/95/94/581099594.db2.gz OSRXVTVKOPCOGY-XTSNVXTPSA-N 1 0 427.544 5.779 1 0 IKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(C)n3)O2)[C@H]2C(C)=CC(C)(C)[NH2+][C@@H]2C=C1 ZINC000028823567 581100744 /nfs/dbraw/zinc/10/07/44/581100744.db2.gz UBFYPBCQTPHSMF-ORHJFFFKSA-N 1 0 428.532 5.174 1 0 IKAFRO CC(=O)CCCCCCCCCC[C@H]1CC[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H](C)[NH2+]1 ZINC000084153991 291395668 /nfs/dbraw/zinc/39/56/68/291395668.db2.gz DYQQVJOMOHCUIP-CKMIVEAUSA-N 1 0 443.628 5.948 1 0 biogenic,in-vitro IKAFRO CCC/C=C1\OC(=O)C2=C[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/CCC1CC[NH2+]CC1)OC2=O ZINC000085571573 291401381 /nfs/dbraw/zinc/40/13/81/291401381.db2.gz NFMKUSXPWHVNGR-KPDYNQGASA-N 1 0 449.591 5.107 1 0 biogenic,in-vitro IKAFRO O=C(C[C@@H]1c2ccccc2[NH+]=C(N2CCCCC2)N1c1ccccc1)NCc1ccccc1 ZINC000003949877 132268406 /nfs/dbraw/zinc/26/84/06/132268406.db2.gz IROXHJVGJHVBSD-AREMUKBSSA-N 1 0 438.575 5.428 1 0 in-vivo IKAFRO C[C@@H]1[C@@H]2CC[C@@H]3[C@@H](C[C@H]4[C@H]3CC(=O)[C@H]3C[C@@H](O)CC[C@]43C)[C@@H]2C[N@@H+]2C[C@@H](C)CC[C@@]12C ZINC000070454878 560047938 /nfs/dbraw/zinc/04/79/38/560047938.db2.gz YKPDVTWVOLGMLP-STTDZKEYSA-N 1 0 427.673 5.162 1 0 biogenic,in-vitro IKAFRO Cc1ccc2cccc(N3CC[NH+](CC[C@H](O)c4csc5ccc(F)cc54)CC3)c2n1 ZINC000000594936 562918415 /nfs/dbraw/zinc/91/84/15/562918415.db2.gz KJQSNZBBWNHIND-QHCPKHFHSA-N 1 0 435.568 5.143 1 0 IKAFRO Fc1cccc(CCC2(F)CC[NH+](CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)c1 ZINC000001486792 562922245 /nfs/dbraw/zinc/92/22/45/562922245.db2.gz GTODTBQKTGFPQO-UHFFFAOYSA-N 1 0 449.549 5.257 1 0 IKAFRO FC1(CCc2ccccc2)CC[NH+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1 ZINC000001486794 562922249 /nfs/dbraw/zinc/92/22/49/562922249.db2.gz WMPPKOCCVMTGGF-UHFFFAOYSA-N 1 0 431.559 5.118 1 0 IKAFRO COc1ccc2c(c1)oc(Cc1ccc(Cl)cc1)c2-c1ccc(OCC[NH+](C)C)cc1 ZINC000001539918 562922684 /nfs/dbraw/zinc/92/26/84/562922684.db2.gz RLYAFCYFYGRDNB-UHFFFAOYSA-N 1 0 435.951 6.293 1 0 IKAFRO COc1ccc(-c2cc(-c3ccccc3)[n+](-c3ccc(C)cc3)c(-c3ccccc3)c2)cc1 ZINC000001613422 562923087 /nfs/dbraw/zinc/92/30/87/562923087.db2.gz WEASKSDXYXITGW-UHFFFAOYSA-N 1 0 428.555 7.281 1 0 IKAFRO CC[NH+](CC)CCN1C(=O)c2c(c(-c3ccccc3)c3ccccc3c2-c2ccccc2)C1=O ZINC000001651590 562923861 /nfs/dbraw/zinc/92/38/61/562923861.db2.gz AIVOXNTUBIXQPO-UHFFFAOYSA-N 1 0 448.566 6.112 1 0 IKAFRO c1c(-c2ccc(OCCC[NH+]3CCCCC3)cc2)c(CCc2ccccc2)c2ccccn12 ZINC000001909694 562925408 /nfs/dbraw/zinc/92/54/08/562925408.db2.gz UHAPCEXNBHGPIV-UHFFFAOYSA-N 1 0 438.615 6.646 1 0 IKAFRO COc1ccc2c(c1)O[C@@H](c1ccc(OCC[NH+]3CCCCC3)cc1)C(c1ccccc1)=C2 ZINC000002006073 562925517 /nfs/dbraw/zinc/92/55/17/562925517.db2.gz VMZKWNQITYDWEE-LJAQVGFWSA-N 1 0 441.571 6.234 1 0 IKAFRO O[C@@H](C[NH2+]CCc1ccc(C(F)(F)F)cc1)COC(c1ccccc1)c1ccccc1 ZINC000002652707 562929389 /nfs/dbraw/zinc/92/93/89/562929389.db2.gz PUANSOTUBGWNQQ-QHCPKHFHSA-N 1 0 429.482 5.005 3 0 IKAFRO COc1ccc(CC2CC[NH+](C3(C)CCN(C(=O)c4c(C)cccc4C)CC3)CC2)cc1 ZINC000003594459 562936688 /nfs/dbraw/zinc/93/66/88/562936688.db2.gz LKDCAIVJHAMVHC-UHFFFAOYSA-N 1 0 434.624 5.261 1 0 IKAFRO Cc1ccc(O)c(NCCC[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1 ZINC000003783521 562937782 /nfs/dbraw/zinc/93/77/82/562937782.db2.gz QXYKMFRWHNXEMJ-UHFFFAOYSA-N 1 0 430.592 5.151 1 0 IKAFRO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)C(c1ccccc1Cl)c1ccccc1Cl ZINC000003800733 562938238 /nfs/dbraw/zinc/93/82/38/562938238.db2.gz DJENNRQWYMVEOW-QZTJIDSGSA-N 1 0 433.423 5.895 1 0 IKAFRO Cc1cccc2c1cc(C(=O)NCc1cccc3ccccc31)n2Cc1cccc(C(N)=[NH2+])c1 ZINC000003831848 562939050 /nfs/dbraw/zinc/93/90/50/562939050.db2.gz IDKGPACCMPKKQB-UHFFFAOYSA-N 1 0 446.554 5.365 1 0 in-vitro IKAFRO Cn1cccc1C(=O)N1CCC2(CCC[N@@H+](C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000003955807 562939889 /nfs/dbraw/zinc/93/98/89/562939889.db2.gz SFASLKXBKBHWHL-UHFFFAOYSA-N 1 0 427.592 5.133 1 0 IKAFRO COc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)c1 ZINC000003976343 562940302 /nfs/dbraw/zinc/94/03/02/562940302.db2.gz FRDMBUQGNRPFBS-MVERNJQCSA-N 1 0 435.612 5.330 1 0 IKAFRO COc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000005596652 562944391 /nfs/dbraw/zinc/94/43/91/562944391.db2.gz NYJQZRBPKNCCPF-XMSQKQJNSA-N 1 0 443.513 5.995 1 0 IKAFRO Oc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000005596654 562944404 /nfs/dbraw/zinc/94/44/04/562944404.db2.gz OUSCXVGRSXJTRW-DYESRHJHSA-N 1 0 429.486 5.692 1 0 IKAFRO C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC[NH+]5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000005845021 562945126 /nfs/dbraw/zinc/94/51/26/562945126.db2.gz RGCPGGMPBRETQV-PTGQKYTESA-N 1 0 428.661 5.559 1 0 IKAFRO CC1(C)CC[C@]2(C[NH3+])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000005963622 562945505 /nfs/dbraw/zinc/94/55/05/562945505.db2.gz CKMMSMKWJRIBOT-OSQDELBUSA-N 1 0 441.744 7.108 1 0 IKAFRO C[C@H](CCCC(C)(C)[NH3+])[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000006491686 562946892 /nfs/dbraw/zinc/94/68/92/562946892.db2.gz IHJMWZWIJOZWNP-GIICLEHTSA-N 1 0 443.760 7.640 1 0 IKAFRO CC[NH+](CC)CCC[C@H](C)n1c2nc(C)nc(NC3CCCCC3)c2nc1-c1ccccc1 ZINC000008017311 562948869 /nfs/dbraw/zinc/94/88/69/562948869.db2.gz BMUGDXBMCVLBNM-FQEVSTJZSA-N 1 0 448.659 6.229 1 0 IKAFRO Cc1oc(-c2cccc(C)c2)nc1C[N@@H+]1CCC[C@H](C(=O)NCc2ccc(Cl)cc2)C1 ZINC000008597892 562954094 /nfs/dbraw/zinc/95/40/94/562954094.db2.gz SKTJVYWHOWWHIK-NRFANRHFSA-N 1 0 437.971 5.140 1 0 IKAFRO Cc1ccc2nc(Cl)c3cc(C(=O)NCCC[N@@H+](C)Cc4ccccc4)sc3c2c1 ZINC000008599642 562954810 /nfs/dbraw/zinc/95/48/10/562954810.db2.gz SXGCYFDVCADQKO-UHFFFAOYSA-N 1 0 437.996 5.663 1 0 IKAFRO COc1cc2c(cc1OCCC1CC[NH+](C)CC1)ncnc2Nc1ccc(Cl)cc1F ZINC000008662784 562960321 /nfs/dbraw/zinc/96/03/21/562960321.db2.gz VEOIWTSZBRXBQG-UHFFFAOYSA-N 1 0 444.938 5.285 1 0 IKAFRO O=C(c1cc2cc(F)ccc2[nH]1)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000011936852 562979898 /nfs/dbraw/zinc/97/98/98/562979898.db2.gz WIVRTFMZHXNYOT-OAQYLSRUSA-N 1 0 448.586 5.389 3 0 IKAFRO CC(C)n1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)cn1 ZINC000012111923 562980830 /nfs/dbraw/zinc/98/08/30/562980830.db2.gz RCEPLTQHRCQLIM-QHCPKHFHSA-N 1 0 441.579 5.463 3 0 IKAFRO COc1cc2[nH]c(-c3ccc4c(c3)[C@@H]([NH+]3CCCC3)CCO4)cc(=O)c2cc1-c1cnco1 ZINC000012354300 562981246 /nfs/dbraw/zinc/98/12/46/562981246.db2.gz SMWPCVXEONHYQE-QFIPXVFZSA-N 1 0 443.503 5.190 1 0 IKAFRO c1c(-c2ccccc2)noc1N(CCC[NH+]1CCCCC1)Cc1cccc2ccccc21 ZINC000013437427 562986048 /nfs/dbraw/zinc/98/60/48/562986048.db2.gz CJHZMMAGVXLITG-UHFFFAOYSA-N 1 0 425.576 6.377 1 0 IKAFRO NC(=[NH2+])c1cc(-c2nc(-c3ccc(Cl)cc3)cs2)c(SCc2ccccc2)s1 ZINC000013437919 562986082 /nfs/dbraw/zinc/98/60/82/562986082.db2.gz PDKZNOIFSOINJV-UHFFFAOYSA-N 1 0 442.034 6.768 1 0 IKAFRO O=S(=O)(NCCCCCC[NH2+]Cc1ccc2ccccc2c1)c1ccc2ccccc2c1 ZINC000013443317 562986663 /nfs/dbraw/zinc/98/66/63/562986663.db2.gz NNJIRXSYQZISGI-UHFFFAOYSA-N 1 0 446.616 5.622 1 0 IKAFRO COc1cccc(NC(=O)N2CCCC[C@H]2C[NH+]2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000013443610 562986711 /nfs/dbraw/zinc/98/67/11/562986711.db2.gz BSZULKCGCBLLIO-DEOSSOPVSA-N 1 0 439.575 5.175 1 0 IKAFRO CCC[C@H]1C[C@@H](Cc2ccccc2)CC[N@@H+]1CCCNC(=O)Nc1cccc(C(C)=O)c1 ZINC000013443638 562986713 /nfs/dbraw/zinc/98/67/13/562986713.db2.gz LSVGDBOAFGMALQ-BVAGGSTKSA-N 1 0 435.612 5.524 1 0 IKAFRO CSc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N(CC[NH+](C)C)C(=O)[C@@H]2C)cc1 ZINC000013450728 562987302 /nfs/dbraw/zinc/98/73/02/562987302.db2.gz HYBPGPKSOHJLGG-CRAIPNDOSA-N 1 0 436.543 5.298 1 0 IKAFRO COc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N(CC[N@H+](C)C(C)C)C(=O)[C@@H]2C)cc1 ZINC000013450814 562987331 /nfs/dbraw/zinc/98/73/31/562987331.db2.gz GBZUXDPXMPXSQT-YLJYHZDGSA-N 1 0 448.529 5.363 1 0 IKAFRO COc1cc2c(cc1OC/C=C/C[NH+]1CCCC1)ncnc2Nc1ccc(Cl)cc1F ZINC000013472784 562988150 /nfs/dbraw/zinc/98/81/50/562988150.db2.gz BMEKKWWFQMYXPU-SNAWJCMRSA-N 1 0 442.922 5.205 1 0 IKAFRO Cc1c(F)c(Oc2cccc(C(N)=[NH2+])c2)nc(Oc2cccc(C(=O)C(C)C)c2)c1F ZINC000013474007 562988608 /nfs/dbraw/zinc/98/86/08/562988608.db2.gz CTRBSTPNCDMFJG-UHFFFAOYSA-N 1 0 425.435 5.376 1 0 IKAFRO Cc1c(F)c(Oc2cccc(Nc3ccccc3)c2)nc(Oc2cccc(C(N)=[NH2+])c2)c1F ZINC000013474016 562988609 /nfs/dbraw/zinc/98/86/09/562988609.db2.gz IXHICQQVOWCMCZ-UHFFFAOYSA-N 1 0 446.457 6.280 1 0 IKAFRO O=C(Nc1ccc(F)cc1)Nc1ccccc1CC[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000013475883 562988968 /nfs/dbraw/zinc/98/89/68/562988968.db2.gz RPTYSBINMOMNIZ-UHFFFAOYSA-N 1 0 449.545 6.106 1 0 IKAFRO O=C(Nc1ccccc1)Nc1cccc([C@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000013475780 562988994 /nfs/dbraw/zinc/98/89/94/562988994.db2.gz OBHVQSQUOOYRGT-AREMUKBSSA-N 1 0 429.564 5.319 1 0 IKAFRO COc1cc(Br)cc(-c2ccc(C[N@@H+]3CCc4ccccc4C3)[nH]2)c1OC ZINC000013476302 562989100 /nfs/dbraw/zinc/98/91/00/562989100.db2.gz WZKNBWSCKIWALS-UHFFFAOYSA-N 1 0 427.342 5.020 1 0 IKAFRO Fc1ccc(C(OCC=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccc(F)cc2)cc1 ZINC000013487733 562989428 /nfs/dbraw/zinc/98/94/28/562989428.db2.gz KYJSNZTVIGEASQ-HNRBIFIRSA-N 1 0 445.553 6.824 1 0 IKAFRO C[C@@H](Cc1c[nH]c2c1cccc2OCc1ccccc1)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000013488838 562989826 /nfs/dbraw/zinc/98/98/26/562989826.db2.gz YZFMZKWJROUPGJ-UUOWRZLLSA-N 1 0 434.967 5.655 1 0 IKAFRO Oc1ccc([C@H]2CCc3cc(O)ccc3N2c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000013490114 562990191 /nfs/dbraw/zinc/99/01/91/562990191.db2.gz DYVRNYHOABJFGS-HHHXNRCGSA-N 1 0 444.575 5.788 1 0 IKAFRO Oc1ccc([C@@H]2CCc3cc(O)ccc3N2c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000013490113 562990232 /nfs/dbraw/zinc/99/02/32/562990232.db2.gz DYVRNYHOABJFGS-MHZLTWQESA-N 1 0 444.575 5.788 1 0 IKAFRO Clc1ccc2c(c1)C(=NC1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)Nc1cccnc1N2 ZINC000013492090 562990627 /nfs/dbraw/zinc/99/06/27/562990627.db2.gz JQCALUODVNXQRL-SEJPIABJSA-N 1 0 443.982 5.656 1 0 IKAFRO CCc1ccc2c(c1)[C@@H](c1ccc(OCC[NH+]3CCCCC3)cc1)Cc1cc(O)cc(C)c1-2 ZINC000013494073 562991014 /nfs/dbraw/zinc/99/10/14/562991014.db2.gz AVXFTHNOWJYYDE-MUUNZHRXSA-N 1 0 441.615 6.483 1 0 IKAFRO O=C(NCCCC[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1cc2ccccc2o1 ZINC000013525836 562991648 /nfs/dbraw/zinc/99/16/48/562991648.db2.gz IMEOUPAOCLGQOG-UHFFFAOYSA-N 1 0 446.378 5.072 1 0 IKAFRO CC(C)[NH+](C[C@@H](O)COc1ccccc1C(=O)CCc1cccc2ccccc21)C(C)C ZINC000013529151 562991939 /nfs/dbraw/zinc/99/19/39/562991939.db2.gz UXLNGOOPOYAJCH-XMMPIXPASA-N 1 0 433.592 5.514 1 0 IKAFRO Fc1ccccc1O[C@H](CC[NH+]1CCN(c2noc3ccccc32)CC1)c1ccccc1 ZINC000013530533 562992054 /nfs/dbraw/zinc/99/20/54/562992054.db2.gz UUXHFPQOQYHMLD-HSZRJFAPSA-N 1 0 431.511 5.299 1 0 IKAFRO C[C@@H]1C[C@H](c2cc3cc(F)ccc3s2)CC[N@@H+]1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000013535655 562992359 /nfs/dbraw/zinc/99/23/59/562992359.db2.gz VXBBUYIZAQUAJB-HLIPFELVSA-N 1 0 438.568 5.530 1 0 IKAFRO C[NH+](C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1CCc1ccccc1 ZINC000013537654 562992537 /nfs/dbraw/zinc/99/25/37/562992537.db2.gz CPGCFTITHHPMEY-UHFFFAOYSA-N 1 0 442.628 6.285 1 0 IKAFRO COc1ccc(NC(=O)N2CC=C(c3ccc4[nH]cc(C[C@H]5CCC[N@@H+]5C)c4c3)CC2)cc1 ZINC000013553512 562992894 /nfs/dbraw/zinc/99/28/94/562992894.db2.gz ZCSYDBRBZWDFCJ-HSZRJFAPSA-N 1 0 444.579 5.134 1 0 IKAFRO Cc1ccc(NC(=O)N2CC=C(c3ccc4[nH]cc(C[C@H]5CCC[N@H+]5C)c4c3)CC2)cc1 ZINC000013553513 562992903 /nfs/dbraw/zinc/99/29/03/562992903.db2.gz HLVNEWORWPHIMZ-XMMPIXPASA-N 1 0 428.580 5.434 1 0 IKAFRO Fc1ccccc1CCC1(F)CC[NH+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1 ZINC000013557024 562993282 /nfs/dbraw/zinc/99/32/82/562993282.db2.gz GOFZPMIWBMSUFB-UHFFFAOYSA-N 1 0 449.549 5.257 1 0 IKAFRO Fc1ccc(CCC2(F)CC[NH+](CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)cc1 ZINC000013557026 562993283 /nfs/dbraw/zinc/99/32/83/562993283.db2.gz MEAOKWVLTATSAF-UHFFFAOYSA-N 1 0 449.549 5.257 1 0 IKAFRO C[C@H](CC1(F)CC[NH+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccccc1 ZINC000013557029 562993290 /nfs/dbraw/zinc/99/32/90/562993290.db2.gz QMDVYSZKHYCAPX-OAQYLSRUSA-N 1 0 445.586 5.679 1 0 IKAFRO Oc1ccc2c(c1)CC[C@]21C=C(c2ccc(OCC[NH+]3CCCC3)cc2)c2cc(O)ccc21 ZINC000013587739 562995805 /nfs/dbraw/zinc/99/58/05/562995805.db2.gz MEQUFYPFRVKQKF-LJAQVGFWSA-N 1 0 439.555 5.250 1 0 IKAFRO O=C1c2ccc(OCc3ccccn3)cc2CC[C@H]1CC[NH+]1CCC(c2ccccc2)CC1 ZINC000013588385 562996012 /nfs/dbraw/zinc/99/60/12/562996012.db2.gz ANPLKMIAFZFDGF-DEOSSOPVSA-N 1 0 440.587 5.675 1 0 IKAFRO O=C1c2ccc(OCc3ccccc3)cc2CC[C@@H]1CC[NH+]1CCC(c2ccccc2)CC1 ZINC000013588378 562996022 /nfs/dbraw/zinc/99/60/22/562996022.db2.gz CYZOBDVPCDGVGS-AREMUKBSSA-N 1 0 439.599 6.280 1 0 IKAFRO O=C1c2ccc(OCc3ccccc3)cc2CC[C@H]1CC[NH+]1CCC(c2ccccc2)CC1 ZINC000013588379 562996045 /nfs/dbraw/zinc/99/60/45/562996045.db2.gz CYZOBDVPCDGVGS-SANMLTNESA-N 1 0 439.599 6.280 1 0 IKAFRO C[N@H+](Cc1ccc(COC(=O)[C@@](O)(c2ccccc2)C2CCCCC2)o1)C1CCCCC1 ZINC000013602058 562996914 /nfs/dbraw/zinc/99/69/14/562996914.db2.gz SUMSQYYVIYCYJK-HHHXNRCGSA-N 1 0 439.596 5.555 1 0 IKAFRO CC[NH+](CC)CCn1ccc2cc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc21 ZINC000013611684 562997873 /nfs/dbraw/zinc/99/78/73/562997873.db2.gz IHTCWFQJHVITAM-UHFFFAOYSA-N 1 0 447.604 5.451 1 0 IKAFRO COc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)c1 ZINC000013613223 562998114 /nfs/dbraw/zinc/99/81/14/562998114.db2.gz FRDMBUQGNRPFBS-JCYRPKCISA-N 1 0 435.612 5.330 1 0 IKAFRO Cc1ccc([C@H](CCC[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2)cc1 ZINC000013674325 563000355 /nfs/dbraw/zinc/00/03/55/563000355.db2.gz XQNMWCOBHLDKFW-HHHXNRCGSA-N 1 0 434.023 6.544 1 0 IKAFRO O=C(Cc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(cnn2CC[NH+]2CCCC2)c1 ZINC000013685191 563001118 /nfs/dbraw/zinc/00/11/18/563001118.db2.gz LEPRKUZHTYZWNM-UHFFFAOYSA-N 1 0 440.547 5.106 1 0 IKAFRO Cc1ccc(C[NH2+][C@@H](CNC(=O)Nc2c(C(C)C)cccc2C(C)C)c2ccccc2)cc1 ZINC000013737269 563002514 /nfs/dbraw/zinc/00/25/14/563002514.db2.gz UYFJLIAMUDWHLY-MHZLTWQESA-N 1 0 443.635 6.894 1 0 IKAFRO CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H]([NH2+]Cc1ccncc1)c1ccccc1 ZINC000013737290 563002528 /nfs/dbraw/zinc/00/25/28/563002528.db2.gz WVAIDDYLIPUXCC-RUZDIDTESA-N 1 0 430.596 5.981 1 0 IKAFRO CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000013737259 563002532 /nfs/dbraw/zinc/00/25/32/563002532.db2.gz MNLTXGNMKKIXGG-AREMUKBSSA-N 1 0 429.608 6.586 1 0 IKAFRO CC[N@H+](CCCCCC[C@H]1Cc2cc(OC)c(OC)cc2C1=O)Cc1ccccc1OC ZINC000013738615 563002888 /nfs/dbraw/zinc/00/28/88/563002888.db2.gz AEFFXIUFESKRQO-FQEVSTJZSA-N 1 0 439.596 5.540 1 0 IKAFRO CC(C)=Cc1cc2c(CC[NH+]3CCN(c4cc(C)ccn4)CC3)c(C)n3c2c(c1)CCC3 ZINC000013740427 563003003 /nfs/dbraw/zinc/00/30/03/563003003.db2.gz WJCLFJBLCSSHIK-UHFFFAOYSA-N 1 0 428.624 5.387 1 0 IKAFRO COc1cccc2c1CCC[C@H]2CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013740698 563003177 /nfs/dbraw/zinc/00/31/77/563003177.db2.gz SGNFTTRKPWKHRW-IBGZPJMESA-N 1 0 432.530 5.736 1 0 IKAFRO O=c1ccc2c(n1Cc1ccccc1)CCC[C@@H]2[NH2+]CCc1ccc(Cl)c(Cl)c1 ZINC000013743296 563003579 /nfs/dbraw/zinc/00/35/79/563003579.db2.gz FFVGALPUFLHGTE-QFIPXVFZSA-N 1 0 427.375 5.413 1 0 IKAFRO CC(C)=CCn1c(=O)ccc2c1CCC[C@H]2[NH2+]CCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000013743315 563003587 /nfs/dbraw/zinc/00/35/87/563003587.db2.gz NCZWWSWZQAWLGR-HXUWFJFHSA-N 1 0 438.921 5.696 1 0 IKAFRO COc1cc2c(cc1OC)C(=O)[C@@H](CCCCCC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000013744617 563003806 /nfs/dbraw/zinc/00/38/06/563003806.db2.gz HCXBSKMUNXXSNQ-QHCPKHFHSA-N 1 0 435.608 5.922 1 0 IKAFRO S=C(Nc1ccccc1)N[C@H]1C2CC[NH+](CC2)[C@H]1C(c1ccccc1)c1ccccc1 ZINC000013744560 563003839 /nfs/dbraw/zinc/00/38/39/563003839.db2.gz DVDRYWOHNCAVBU-UIOOFZCWSA-N 1 0 427.617 5.268 1 0 IKAFRO Oc1cc2c(cc1Br)CC[N@H+](C/C=C/c1ccccc1)C[C@@H]2c1ccccc1 ZINC000013757558 563004594 /nfs/dbraw/zinc/00/45/94/563004594.db2.gz MGKVCPAAEMUDQN-BWAMLYQTSA-N 1 0 434.377 5.858 1 0 IKAFRO CC[NH2+][C@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 ZINC000013757982 563004650 /nfs/dbraw/zinc/00/46/50/563004650.db2.gz WFCGDQWAICWEOO-DEOSSOPVSA-N 1 0 427.548 5.339 1 0 IKAFRO Fc1ccc(C[NH+]2CCC(CCO[C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000013760754 563004892 /nfs/dbraw/zinc/00/48/92/563004892.db2.gz LDIQWODSVBHRII-MHZLTWQESA-N 1 0 437.986 6.887 1 0 IKAFRO COc1ccc(CC[N@H+](C)CC[C@@H]2CN(Cc3ccccc3)c3ccccc3O2)cc1OC ZINC000013780752 563006480 /nfs/dbraw/zinc/00/64/80/563006480.db2.gz KQKQJSMFQYTBBL-XMMPIXPASA-N 1 0 446.591 5.036 1 0 IKAFRO Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N@@H+](CCc3ccccc3)[C@@H]1N2C ZINC000013797558 563007584 /nfs/dbraw/zinc/00/75/84/563007584.db2.gz XVAIKIDWWWIJHZ-XCZPVHLTSA-N 1 0 441.575 5.588 1 0 IKAFRO CCCCC[C@H](Cc1ccc(OC)c(OCCc2ccccc2)c1)[NH+](CCC)CCC ZINC000013801144 563007857 /nfs/dbraw/zinc/00/78/57/563007857.db2.gz TUFDTHVIVZABIT-AREMUKBSSA-N 1 0 425.657 6.930 1 0 IKAFRO C[N@@H+]1CC[C@](O)(c2ccc(Cl)c(Cl)c2)[C@@H]([C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000013804573 563008318 /nfs/dbraw/zinc/00/83/18/563008318.db2.gz RRWQOIKRLCJAFP-VMDGZTHMSA-N 1 0 435.178 5.173 1 0 IKAFRO C[N@@H+]1C[C@@H]2[C@H](c3ccc(C(F)(F)F)cc3)C3(c4ccccc4)CC2(C3)[C@H]1c1ccccc1 ZINC000013812943 563009018 /nfs/dbraw/zinc/00/90/18/563009018.db2.gz PPZQMHXDQXPIHV-ILQJIGPNSA-N 1 0 433.517 6.824 3 0 IKAFRO O=C(c1ccc(Br)cc1)N(c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000013817819 563009641 /nfs/dbraw/zinc/00/96/41/563009641.db2.gz DWNCOSUKQGWVJL-UHFFFAOYSA-N 1 0 449.392 5.761 1 0 IKAFRO O=C(NCCCC[NH+]1CCN(c2cccc3ccccc32)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000013824006 563010366 /nfs/dbraw/zinc/01/03/66/563010366.db2.gz SDFJEQNUYLCLFY-UHFFFAOYSA-N 1 0 445.651 5.075 1 0 IKAFRO Fc1ccc(OCCC[NH+]2CCC(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000013824968 563010452 /nfs/dbraw/zinc/01/04/52/563010452.db2.gz VMAGGRADYNFDSG-UHFFFAOYSA-N 1 0 439.521 6.417 1 0 IKAFRO CC(C)c1nc2ccccc2cc1S(=O)(=O)c1ccc(OCCC[NH2+]C(C)(C)C)cc1 ZINC000013827201 563010598 /nfs/dbraw/zinc/01/05/98/563010598.db2.gz DNNZTVIUAOIRAP-UHFFFAOYSA-N 1 0 440.609 5.348 1 0 IKAFRO COc1ccc([C@H]2Oc3ccccc3N(CCCCC[N@H+]3[C@H](C)CCC[C@@H]3C)C2=O)cc1 ZINC000013834493 563011990 /nfs/dbraw/zinc/01/19/90/563011990.db2.gz IIVFKZRYVBKPLV-YZIHRLCOSA-N 1 0 436.596 5.595 1 0 IKAFRO C[NH+](C)[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(I)cc21 ZINC000013835782 563012196 /nfs/dbraw/zinc/01/21/96/563012196.db2.gz UZICZLJHJQVZSQ-SUMWQHHRSA-N 1 0 432.132 5.736 1 0 IKAFRO CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)[C@@H]2CC[N@H+](CC3CC3)C[C@@H]2C)cc1 ZINC000013862304 563012860 /nfs/dbraw/zinc/01/28/60/563012860.db2.gz KEHOXWIRLSRNHN-KDYSTLNUSA-N 1 0 449.639 5.436 1 0 IKAFRO COc1c(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc(Br)c2ccccc21 ZINC000013862875 563013190 /nfs/dbraw/zinc/01/31/90/563013190.db2.gz JVVXYJOBIBKLSD-KRWDZBQOSA-N 1 0 445.401 5.138 1 0 IKAFRO COc1c(C(=O)N[C@H]2CC[N@@H+](C3CCCCCC3)C2)cc(Br)c2ccccc21 ZINC000013862864 563013192 /nfs/dbraw/zinc/01/31/92/563013192.db2.gz CJONMKUBCIENBK-INIZCTEOSA-N 1 0 445.401 5.138 1 0 IKAFRO C[N@@H+]1CCCC[C@@H]1CCc1cc(C(=O)Nc2ccc(-c3ccc(O)cc3)cc2)ccc1O ZINC000013905910 563013951 /nfs/dbraw/zinc/01/39/51/563013951.db2.gz BPSJUELGMDRIEX-XMMPIXPASA-N 1 0 430.548 5.434 1 0 IKAFRO COc1cccc2c1c(OC)cc(C)c2-c1c(OC)cc(OC)c2c1C[C@H](C)[N@H+](C)[C@H]2C ZINC000014421116 563014503 /nfs/dbraw/zinc/01/45/03/563014503.db2.gz KKJVVBRCACGMIS-IRXDYDNUSA-N 1 0 435.564 5.787 1 0 IKAFRO Cc1ccc(F)cc1NC(=O)[C@H](Cc1ccccc1)c1csc2ccc(C(N)=[NH2+])cc21 ZINC000014950987 563015648 /nfs/dbraw/zinc/01/56/48/563015648.db2.gz AIYVHKHQIRBMIW-HXUWFJFHSA-N 1 0 431.536 5.598 1 0 IKAFRO [NH3+][C@H](COc1cncc(-c2ccc3c(Cl)nccc3c2)c1)Cc1c[nH]c2ccccc12 ZINC000014962559 563016300 /nfs/dbraw/zinc/01/63/00/563016300.db2.gz WPMZSQVDRQXIQU-FQEVSTJZSA-N 1 0 428.923 5.380 1 0 IKAFRO C[NH+](C)CCCCCOc1ccc2c(c1)nccc2-c1c2n(nc1-c1ccccn1)CCC2 ZINC000014976396 563016998 /nfs/dbraw/zinc/01/69/98/563016998.db2.gz ZQBVCDSXBGGTAZ-UHFFFAOYSA-N 1 0 441.579 5.217 1 0 IKAFRO COc1ccc(-c2sc(Nc3ccccc3)n[n+]2-c2ccccc2)cc1Br ZINC000015936919 563019066 /nfs/dbraw/zinc/01/90/66/563019066.db2.gz SAYAUHGCFYKOIV-UHFFFAOYSA-N 1 0 439.358 5.602 3 0 IKAFRO C[C@@H]1c2cc(O)ccc2O[C@@H](c2ccc(OCC[NH+]3CCCC3)cc2)[C@H]1c1ccc(O)cc1 ZINC000016051697 563020749 /nfs/dbraw/zinc/02/07/49/563020749.db2.gz XPVKGTWRXBSJKO-LHXLBICKSA-N 1 0 445.559 5.593 1 0 in-vivo IKAFRO COc1ccc([C@H](OCC[NH+]2CCN(C/C=C/c3ccccc3)CC2)c2ccccc2)cc1 ZINC000022925579 563025847 /nfs/dbraw/zinc/02/58/47/563025847.db2.gz NXEIIWOLSIXINJ-RZFDLJBBSA-N 1 0 442.603 5.132 1 0 IKAFRO c1ccc(C(OCCN2CC[NH+](CC3=Cc4ccccc4CC3)CC2)c2ccccc2)cc1 ZINC000022927659 563026164 /nfs/dbraw/zinc/02/61/64/563026164.db2.gz COAWDEAIUUNIEE-UHFFFAOYSA-N 1 0 438.615 5.440 1 0 IKAFRO C[C@@H]1C[N@H+](CCOC(c2ccccc2)c2ccccc2)[C@@H](C)CN1C/C=C/c1ccccc1 ZINC000022938515 563026596 /nfs/dbraw/zinc/02/65/96/563026596.db2.gz NQBRJWVFVDOVMT-GIJMSBLHSA-N 1 0 440.631 5.901 1 0 IKAFRO c1ccc(CCC[N@@H+]2CCCCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022938469 563026604 /nfs/dbraw/zinc/02/66/04/563026604.db2.gz OROJBVXOPXWKMA-UHFFFAOYSA-N 1 0 442.647 5.823 1 0 IKAFRO C[NH+]1CCN(CCCOc2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)cc2Cl)CC1 ZINC000023361026 563027246 /nfs/dbraw/zinc/02/72/46/563027246.db2.gz HOGIQAJOASEATP-UHFFFAOYSA-N 1 0 441.019 5.197 1 0 IKAFRO O[C@@H]1c2ccc(OCc3ccccc3)cc2CC[C@@H]1CC[NH+]1CCC(c2ccccc2)CC1 ZINC000025973477 563027803 /nfs/dbraw/zinc/02/78/03/563027803.db2.gz XYNOVHCFMBLOEQ-VIZCGCQYSA-N 1 0 441.615 6.131 1 0 IKAFRO COc1cccc2c1C(CCC[NH+]1CCN(c3cccc(C(F)(F)F)c3)CC1)=CCC2 ZINC000025985548 563028087 /nfs/dbraw/zinc/02/80/87/563028087.db2.gz BKHFZQKDLQQYGU-UHFFFAOYSA-N 1 0 430.514 5.646 1 0 IKAFRO COc1ccc(CCC[NH+]2CCC([C@H](O)CC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000026001347 563028183 /nfs/dbraw/zinc/02/81/83/563028183.db2.gz OJZAGSBHGWMTOB-SSEXGKCCSA-N 1 0 443.631 5.923 1 0 IKAFRO Cc1cc(C)cc(-c2[nH]c3ccccc3c2CC[NH2+]CCCCc2cnc3ccccc3c2)c1 ZINC000026014949 563028576 /nfs/dbraw/zinc/02/85/76/563028576.db2.gz DOMKDOIDAOTVHL-UHFFFAOYSA-N 1 0 447.626 7.155 1 0 IKAFRO C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)c1cccc2ccccc21 ZINC000026154120 563029025 /nfs/dbraw/zinc/02/90/25/563029025.db2.gz JVELVBSSYRSDHV-ZJSXRUAMSA-N 1 0 444.600 5.080 1 0 IKAFRO C[C@H]([NH2+]C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)c1cccc2ccccc21 ZINC000026154127 563029044 /nfs/dbraw/zinc/02/90/44/563029044.db2.gz JVELVBSSYRSDHV-XUZZJYLKSA-N 1 0 444.600 5.080 1 0 IKAFRO COc1ccc2c(c1)CC[C@@H]([NH2+]CCc1ccc(OC)c(OC)c1)[C@@H]2Cc1ccccc1 ZINC000026251269 563030036 /nfs/dbraw/zinc/03/00/36/563030036.db2.gz GDPUSTXHHZCBIA-CLJLJLNGSA-N 1 0 431.576 5.186 1 0 IKAFRO CCNC(=O)c1ccc(C(c2cccc(OC)c2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3CC=C(C)C)cc1 ZINC000026251420 563030087 /nfs/dbraw/zinc/03/00/87/563030087.db2.gz GJXRNZBLMAGVNN-WMPKNSHKSA-N 1 0 444.619 5.840 1 0 IKAFRO CC1(C)Oc2cc(O)ccc2[C@@H](c2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]1c1ccccc1 ZINC000026257768 563030124 /nfs/dbraw/zinc/03/01/24/563030124.db2.gz PAIABUZDHNKOIL-IZLXSDGUSA-N 1 0 443.587 5.954 1 0 IKAFRO Cc1ccc(NC(=O)CCCC[C@H](C)[NH2+]C[C@@H](O)COc2cccc3ccccc32)cc1 ZINC000026278706 563030638 /nfs/dbraw/zinc/03/06/38/563030638.db2.gz GYGLUIKOLCBIDX-XUZZJYLKSA-N 1 0 434.580 5.065 1 0 IKAFRO C[C@H](c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000026384930 563031573 /nfs/dbraw/zinc/03/15/73/563031573.db2.gz CZMLHCKAVIBNFO-LJQANCHMSA-N 1 0 447.044 5.184 1 0 IKAFRO CCC(=O)N(c1ccccc1)C1(c2nc(C)c(C)s2)CC[NH+](CCc2ccccc2)CC1 ZINC000026571350 563033334 /nfs/dbraw/zinc/03/33/34/563033334.db2.gz HSRXEKVCVWWTBN-UHFFFAOYSA-N 1 0 447.648 5.737 1 0 IKAFRO CC/C(=C(/c1ccc(OCC[NH+](C)C)cc1)c1ccc([S@@](C)=O)cc1)c1ccccc1 ZINC000026570831 563033338 /nfs/dbraw/zinc/03/33/38/563033338.db2.gz JRYLBWPPXFCWGL-SZDFBCEPSA-N 1 0 433.617 5.734 1 0 IKAFRO CCC(=O)N(c1ccccc1F)C1(c2ccccc2)CC[NH+](CCn2nc(C)cc2C)CC1 ZINC000026571347 563033349 /nfs/dbraw/zinc/03/33/49/563033349.db2.gz VPSBTNGWAWDYKJ-UHFFFAOYSA-N 1 0 448.586 5.074 1 0 IKAFRO CC/C(=C(/c1ccc(OCC[NH+](C)C)cc1)c1ccc([S@](C)=O)cc1)c1ccccc1 ZINC000026570835 563033358 /nfs/dbraw/zinc/03/33/58/563033358.db2.gz JRYLBWPPXFCWGL-VTWRUHIJSA-N 1 0 433.617 5.734 1 0 IKAFRO Oc1ccc2c(c1)S[C@H](c1ccco1)[C@H](c1ccc(OCC[NH+]3CCCCC3)cc1)O2 ZINC000026571649 563033371 /nfs/dbraw/zinc/03/33/71/563033371.db2.gz LHVMXQSKFYKIGY-LOSJGSFVSA-N 1 0 437.561 5.817 1 0 IKAFRO CC1=C(c2ccc(O)cc2)[C@@H](CCCCCC[NH2+]Cc2ccccc2)c2ccc(O)cc21 ZINC000026577624 563033926 /nfs/dbraw/zinc/03/39/26/563033926.db2.gz WGUTZMWISAPIRV-MHZLTWQESA-N 1 0 427.588 6.866 1 0 IKAFRO CC1=C(c2ccc(O)cc2)[C@H](CCCCCC[NH2+]Cc2ccccc2)c2ccc(O)cc21 ZINC000026577625 563033940 /nfs/dbraw/zinc/03/39/40/563033940.db2.gz WGUTZMWISAPIRV-HHHXNRCGSA-N 1 0 427.588 6.866 1 0 IKAFRO O=C(Cc1cccc2ccccc21)N1CCC(C[NH2+]CCCCCCC2CCCCC2)CC1 ZINC000026579591 563034206 /nfs/dbraw/zinc/03/42/06/563034206.db2.gz LRRFFNZIDZAIQI-UHFFFAOYSA-N 1 0 448.695 6.741 1 0 IKAFRO COC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2[nH]nc3cccc(OCc4ccc(C(C)(C)C)cc4)c32)C1 ZINC000026727630 563035818 /nfs/dbraw/zinc/03/58/18/563035818.db2.gz AGKXRBAYJBHVLK-CTNGQTDRSA-N 1 0 449.595 5.261 1 0 IKAFRO COc1cccc(OC)c1OCC[NH2+]C[C@@H]1C(=O)c2ccccc2S[C@@H]1c1ccccc1 ZINC000026743542 563036320 /nfs/dbraw/zinc/03/63/20/563036320.db2.gz GAWCPJXNKBSMOF-FQRUVTKNSA-N 1 0 449.572 5.018 1 0 IKAFRO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2c(Cl)cccc2[C@@H]1C[NH+]1CCCC1 ZINC000026744559 563036326 /nfs/dbraw/zinc/03/63/26/563036326.db2.gz KWISSCKLHAPOIK-NRFANRHFSA-N 1 0 437.798 5.411 1 0 IKAFRO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2c(Cl)cccc2[C@H]1C[NH+]1CCCC1 ZINC000026744564 563036372 /nfs/dbraw/zinc/03/63/72/563036372.db2.gz KWISSCKLHAPOIK-OAQYLSRUSA-N 1 0 437.798 5.411 1 0 IKAFRO CSc1cccc2c1CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]2C[NH+]1CCCC1 ZINC000026749599 563036496 /nfs/dbraw/zinc/03/64/96/563036496.db2.gz ZVPRPDZTSIAALA-OAQYLSRUSA-N 1 0 449.447 5.480 1 0 IKAFRO COc1ccc2c(c1)O[C@H](c1ccc(OCC[NH+]3CCCC3)cc1)[C@H](c1ccccc1)C2=O ZINC000026946143 563038081 /nfs/dbraw/zinc/03/80/81/563038081.db2.gz KQGPDKRGLZIJCH-IXCJQBJRSA-N 1 0 443.543 5.270 1 0 IKAFRO COc1ccc(CC[N@@H+]2CCC[C@H]2COC(c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000027193186 563040407 /nfs/dbraw/zinc/04/04/07/563040407.db2.gz OIQRMMBDEJLAEE-MHZLTWQESA-N 1 0 429.604 6.125 1 0 IKAFRO Clc1cccc(-n2nc(C3CC[NH2+]CC3)cc2-c2ccc(Oc3ccccc3)cc2)c1 ZINC000027196917 563040522 /nfs/dbraw/zinc/04/05/22/563040522.db2.gz FWAIYTICFNBOCD-UHFFFAOYSA-N 1 0 429.951 6.452 1 0 IKAFRO COc1ccc(C[C@H]2CN3C(=[NH+]C[C@@H]3C3CCCCC3)N2CCCC2CCCCC2)cc1 ZINC000027209905 563040931 /nfs/dbraw/zinc/04/09/31/563040931.db2.gz UMIJHKIIVRNJCH-AHKZPQOWSA-N 1 0 437.672 5.903 1 0 IKAFRO C[C@H](N1C2=[NH+]C[C@@H](C3CCCCC3)N2C[C@@H]1C1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000027210850 563040968 /nfs/dbraw/zinc/04/09/68/563040968.db2.gz QLWHCGAXAKJOIC-JMGQTUGASA-N 1 0 437.716 6.476 1 0 IKAFRO COc1ccc([C@@H]2Oc3ccccc3N(CCCCC[NH+]3[C@@H](C)CCC[C@@H]3C)C2=O)cc1 ZINC000027326393 563041651 /nfs/dbraw/zinc/04/16/51/563041651.db2.gz IIVFKZRYVBKPLV-WOVHNISZSA-N 1 0 436.596 5.595 1 0 IKAFRO C[C@@H]1CCC[C@@H](C)[NH+]1CCCCCN1c2ccccc2O[C@H](c2ccc(Cl)cc2)C1=O ZINC000027332068 563041812 /nfs/dbraw/zinc/04/18/12/563041812.db2.gz LKWOZWCLKKPBJR-UMEGOILYSA-N 1 0 441.015 6.240 1 0 IKAFRO CCC[NH+](CCC)[C@@H]1CCc2c(ccc([C@@H](O)Cc3ccc(Cl)cc3)c2OC)[C@@H]1C ZINC000027405786 563041820 /nfs/dbraw/zinc/04/18/20/563041820.db2.gz ZSHABDJGHVJYOC-MUEKUWCCSA-N 1 0 430.032 6.165 1 0 IKAFRO CCc1cccc(N(C)C(=[NH2+])Nc2cc(Br)cc(CC)c2Br)c1 ZINC000027430352 563042305 /nfs/dbraw/zinc/04/23/05/563042305.db2.gz JGJBVZUKTPGUPJ-UHFFFAOYSA-N 1 0 439.195 5.819 1 0 IKAFRO C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)[NH+]1CCCc1ccccc1 ZINC000027518363 563042584 /nfs/dbraw/zinc/04/25/84/563042584.db2.gz KRUBQUVNIYCARV-SVBPBHIXSA-N 1 0 441.663 6.242 1 0 IKAFRO CN1c2ccccc2C(c2ccccc2F)=[NH+]C[C@H]1CNc1cccc(C(F)(F)F)c1 ZINC000027521704 563042760 /nfs/dbraw/zinc/04/27/60/563042760.db2.gz UCJYVPYJDOOMRP-GOSISDBHSA-N 1 0 427.445 5.612 1 0 IKAFRO CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C[NH3+])CCC=C(C)C ZINC000027526986 563043346 /nfs/dbraw/zinc/04/33/46/563043346.db2.gz IKLCJBYIPVYPTF-SUNBHHBFSA-N 1 0 425.745 9.544 1 0 IKAFRO Nc1ccc(-c2cc(-c3ccc(N4CCOCC4)cc3)cc(-c3ccc(N)cc3)[s+]2)cc1 ZINC000027559806 563044115 /nfs/dbraw/zinc/04/41/15/563044115.db2.gz DHSAMWWTFPQDHQ-UHFFFAOYSA-N 1 0 440.592 6.031 1 0 IKAFRO Oc1ccc(CCCC[NH2+]CCc2c3ccccc3[nH]c2-c2cccc3cnccc32)cc1 ZINC000027561065 563044234 /nfs/dbraw/zinc/04/42/34/563044234.db2.gz VULXLFKQVLZROE-UHFFFAOYSA-N 1 0 435.571 6.244 1 0 IKAFRO COc1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[NH2+]CCCCc3ccc(O)cc3)c2c1 ZINC000027617576 563044425 /nfs/dbraw/zinc/04/44/25/563044425.db2.gz JRPZOLMQOSOAAE-UHFFFAOYSA-N 1 0 442.603 6.321 1 0 IKAFRO O=C(N[C@@H]1C2CC[NH+](CC2)[C@@H]1C(c1ccccc1)c1ccccc1)c1ccccc1Cl ZINC000027638450 563044928 /nfs/dbraw/zinc/04/49/28/563044928.db2.gz YECFTEONBCBTGK-CLJLJLNGSA-N 1 0 430.979 5.365 1 0 IKAFRO COc1ccccc1N1CC[NH+](CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000027711578 563045685 /nfs/dbraw/zinc/04/56/85/563045685.db2.gz LGPNKNVYOIPLIO-UHFFFAOYSA-N 1 0 437.534 5.324 1 0 IKAFRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](CCOC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000027727582 563045948 /nfs/dbraw/zinc/04/59/48/563045948.db2.gz WZIMAOZBBMLXCC-RUZDIDTESA-N 1 0 427.632 7.218 1 0 IKAFRO COc1ccc2c(c1)[C@H](N(C)C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]([NH+]1CCCC1)CC2 ZINC000027765648 563047076 /nfs/dbraw/zinc/04/70/76/563047076.db2.gz NCEQNECHXYMBIL-UPVQGACJSA-N 1 0 447.406 5.155 1 0 IKAFRO Cc1c(O)ccc2c1CC[C@H]([NH+]1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000027847740 563047293 /nfs/dbraw/zinc/04/72/93/563047293.db2.gz RBHCFPWPMNJRJJ-URXFXBBRSA-N 1 0 447.406 5.160 1 0 IKAFRO COc1cccc2c1CC[C@H]([NH+]1CCCC1)[C@H]2N(C)C(=O)Cc1cccc2ccccc21 ZINC000027854390 563047349 /nfs/dbraw/zinc/04/73/49/563047349.db2.gz WYQFDQLWSFMZNG-LSYYVWMOSA-N 1 0 428.576 5.001 1 0 IKAFRO CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1c2ccccc2C(C)(C)C[C@@H]1[NH+]1CCCC1 ZINC000027857819 563047473 /nfs/dbraw/zinc/04/74/73/563047473.db2.gz QIEZBTHQTJVELD-UPVQGACJSA-N 1 0 445.434 5.881 1 0 IKAFRO COc1cccc2c1CC[C@H]([NH+]1CCCC1)[C@H]2N(C)C(=O)Cc1csc2ccccc12 ZINC000027858496 563047478 /nfs/dbraw/zinc/04/74/78/563047478.db2.gz SXVZSJXHXBDMQG-NVQXNPDNSA-N 1 0 434.605 5.063 1 0 IKAFRO CC[C@@H](C)[NH2+]C[C@@H](O)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O ZINC000027883577 563047867 /nfs/dbraw/zinc/04/78/67/563047867.db2.gz DZABGEDDISFDRN-DENIHFKCSA-N 1 0 443.543 5.255 1 0 IKAFRO CC[C@@H](C)[NH2+]C[C@H](O)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O ZINC000027883593 563047876 /nfs/dbraw/zinc/04/78/76/563047876.db2.gz DZABGEDDISFDRN-KNQAVFIVSA-N 1 0 443.543 5.255 1 0 IKAFRO CC[C@H](C)[NH2+]C[C@@H](O)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O ZINC000027883586 563047881 /nfs/dbraw/zinc/04/78/81/563047881.db2.gz DZABGEDDISFDRN-SIKLNZKXSA-N 1 0 443.543 5.255 1 0 IKAFRO CC(C)c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ccc(S(N)(=O)=O)cc1 ZINC000028001558 563049199 /nfs/dbraw/zinc/04/91/99/563049199.db2.gz XNTRJRSHZVFKTP-UHFFFAOYSA-N 1 0 429.565 5.068 1 0 IKAFRO Fc1ccc([C@@H]2C[C@H]([NH+]3CCN(C/C=C/c4ccccc4)CC3)c3cc(F)ccc32)cc1 ZINC000028009399 563049549 /nfs/dbraw/zinc/04/95/49/563049549.db2.gz WFWXLDOWSRFXSJ-HVOIPLCBSA-N 1 0 430.542 5.873 1 0 IKAFRO CSc1sc(C(N)=[NH2+])cc1-c1csc(Nc2ccccc2Br)n1 ZINC000028008995 563049595 /nfs/dbraw/zinc/04/95/95/563049595.db2.gz AEBZRNXDNPAWQV-UHFFFAOYSA-N 1 0 425.402 5.384 1 0 IKAFRO Fc1ccc([C@H]2C[C@H]([NH+]3CCN(C/C=C/c4ccccc4)CC3)c3cc(F)ccc32)cc1 ZINC000028009404 563049599 /nfs/dbraw/zinc/04/95/99/563049599.db2.gz WFWXLDOWSRFXSJ-PCDZZFAESA-N 1 0 430.542 5.873 1 0 IKAFRO C[C@H]([NH2+]CCCc1c2ccccc2[nH]c1-c1cccc(Br)c1)c1ccc(O)cc1 ZINC000028017244 563049977 /nfs/dbraw/zinc/04/99/77/563049977.db2.gz DJDBCHOVXHNUJE-KRWDZBQOSA-N 1 0 449.392 6.586 1 0 IKAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2c(C)onc2-c2cccc(Cl)c2)C1C(=O)OCC ZINC000028020217 563050021 /nfs/dbraw/zinc/05/00/21/563050021.db2.gz PAUJBHOUHLSXKU-LCMCWVSWSA-N 1 0 444.915 5.505 1 0 IKAFRO COc1cccc(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000028111802 563050844 /nfs/dbraw/zinc/05/08/44/563050844.db2.gz FSIZZJSQRKUBMT-ZEQKJWHPSA-N 1 0 435.612 5.330 1 0 IKAFRO C[C@@H](C(=O)N(C)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000028131641 563051358 /nfs/dbraw/zinc/05/13/58/563051358.db2.gz BQBLVXRALWABEM-XMMPIXPASA-N 1 0 440.631 5.935 1 0 IKAFRO Cc1ccc(Cl)c(O[C@@H](CC[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1 ZINC000028137881 563051587 /nfs/dbraw/zinc/05/15/87/563051587.db2.gz FFCBURJABQUALQ-QHCPKHFHSA-N 1 0 442.003 5.422 1 0 IKAFRO Cc1ccc(Cl)c(O[C@H](CC[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)C(C)C)c1 ZINC000028137873 563051664 /nfs/dbraw/zinc/05/16/64/563051664.db2.gz FFCBURJABQUALQ-HSZRJFAPSA-N 1 0 442.003 5.422 1 0 IKAFRO Cc1ccccc1CC(=O)N1CCC([NH+]2CCC(Cc3ccc(Cl)c(F)c3)CC2)CC1 ZINC000028331346 563052492 /nfs/dbraw/zinc/05/24/92/563052492.db2.gz AOPIAXYQYXZZMC-UHFFFAOYSA-N 1 0 443.006 5.276 1 0 IKAFRO CN(C(=O)NCc1ccccc1)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028346481 563053069 /nfs/dbraw/zinc/05/30/69/563053069.db2.gz ISIRALASUBYCGQ-UHFFFAOYSA-N 1 0 441.619 5.515 1 0 IKAFRO O=C1[C@H](Oc2ccc(Cl)c(Cl)c2)CC=CCN1[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000028372517 563053839 /nfs/dbraw/zinc/05/38/39/563053839.db2.gz XNHYWJKLNSIKRT-DHIUTWEWSA-N 1 0 445.390 5.366 1 0 IKAFRO O=C1[C@@H](Oc2ccc(Cl)c(Cl)c2)CC=CCN1[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000028372526 563053841 /nfs/dbraw/zinc/05/38/41/563053841.db2.gz XNHYWJKLNSIKRT-PKTZIBPZSA-N 1 0 445.390 5.366 1 0 IKAFRO O=C(NCCC[NH2+]Cc1cccc(-c2ccccc2)c1)Nc1ccc(C(F)(F)F)cc1 ZINC000028386619 563054249 /nfs/dbraw/zinc/05/42/49/563054249.db2.gz XJLZSTBTWCTMJW-UHFFFAOYSA-N 1 0 427.470 5.674 1 0 IKAFRO CCNC(=O)c1ccc(C(c2ccccn2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccoc2)cc1 ZINC000028386154 563054284 /nfs/dbraw/zinc/05/42/84/563054284.db2.gz GOGHNXCDTHQGMK-PSWAGMNNSA-N 1 0 427.548 5.053 1 0 IKAFRO O=C(NC1CC[NH2+]CC1)c1cccc(-c2n[nH]c3cc(Nc4ccccc4Cl)ccc32)c1 ZINC000028525785 563056771 /nfs/dbraw/zinc/05/67/71/563056771.db2.gz VKTAENBLRPMXKK-UHFFFAOYSA-N 1 0 445.954 5.109 1 0 IKAFRO Cc1ccc(S(=O)(=O)n2cc([C@H]3CC[N@H+](Cc4ccccc4)C3)c3ccccc32)cc1 ZINC000028526106 563056884 /nfs/dbraw/zinc/05/68/84/563056884.db2.gz KADCFEDAPDSNRT-QFIPXVFZSA-N 1 0 430.573 5.176 1 0 IKAFRO Clc1cccc(-n2nc(C3CC[NH2+]CC3)cc2/C=C/c2ccc(Cl)c(Cl)c2)c1 ZINC000028526926 563056979 /nfs/dbraw/zinc/05/69/79/563056979.db2.gz QFUADDPYSYIBQI-GQCTYLIASA-N 1 0 432.782 6.470 1 0 IKAFRO Fc1ccc(C[NH+]2CCC(OC(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000028528090 563057193 /nfs/dbraw/zinc/05/71/93/563057193.db2.gz MZJQVPVZDHVOSS-UHFFFAOYSA-N 1 0 444.377 6.903 1 0 IKAFRO O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(-c2cccs2)cc1 ZINC000028529572 563057335 /nfs/dbraw/zinc/05/73/35/563057335.db2.gz LHMHFHGDMOGAHU-FQEVSTJZSA-N 1 0 430.495 5.438 1 0 IKAFRO CC(C)(Cc1ccc2ccccc2c1)[NH2+]C[C@@H](O)[C@H]1CCCN1Cc1cccc(F)c1F ZINC000028564855 563057987 /nfs/dbraw/zinc/05/79/87/563057987.db2.gz OYEWEMKJQXRYAD-JWQCQUIFSA-N 1 0 438.562 5.054 1 0 IKAFRO O=C(NCCC[NH+]1CCC2(CCc3ccccc32)CC1)c1ccccc1Cc1ccccc1 ZINC000028569152 563058703 /nfs/dbraw/zinc/05/87/03/563058703.db2.gz XFIZETUANYXJSD-UHFFFAOYSA-N 1 0 438.615 5.377 1 0 IKAFRO O=C(NCCC[NH+]1CCC2(CCc3ccccc32)CC1)c1ccccc1Nc1ccccc1 ZINC000028569190 563058731 /nfs/dbraw/zinc/05/87/31/563058731.db2.gz GYIOPDAUMLTGFK-UHFFFAOYSA-N 1 0 439.603 5.530 1 0 IKAFRO CCC[NH+]1CCC(Oc2cc(OC)cc3ncnc(Nc4ccc(F)c(Cl)c4)c32)CC1 ZINC000028572158 563059458 /nfs/dbraw/zinc/05/94/58/563059458.db2.gz KJRODMSQOFCOCX-UHFFFAOYSA-N 1 0 444.938 5.428 1 0 IKAFRO O=C(Nc1ccc(F)c(Cl)c1)N(CC[NH+]1CCCC1)[C@@H]1CC=C(c2ccco2)CC1 ZINC000028650227 563061030 /nfs/dbraw/zinc/06/10/30/563061030.db2.gz UAUSDCVOZKQEPQ-LJQANCHMSA-N 1 0 431.939 5.638 1 0 IKAFRO CC[N@H+](Cc1ccccc1)Cc1ccc(-c2cc3cc(OC)c(OC)cc3oc2=O)cc1 ZINC000028710695 563062654 /nfs/dbraw/zinc/06/26/54/563062654.db2.gz PNZIOQNBQOTGPK-UHFFFAOYSA-N 1 0 429.516 5.499 1 0 in-vivo IKAFRO COc1ccc(C[N@H+](C)Cc2ccc(-c3cc4cc(OC)c(OC)cc4oc3=O)cc2)cc1 ZINC000028710694 563062657 /nfs/dbraw/zinc/06/26/57/563062657.db2.gz HOAWDZNYQXALRG-UHFFFAOYSA-N 1 0 445.515 5.118 1 0 IKAFRO CC[N@@H+]1CCC[C@H](Cn2c(=O)c3cc(OC(F)(F)F)ccc3nc2-c2ccccc2C)C1 ZINC000028711888 563062797 /nfs/dbraw/zinc/06/27/97/563062797.db2.gz TYPWWUNYYCVRRR-KRWDZBQOSA-N 1 0 445.485 5.002 1 0 IKAFRO Cc1ccccc1-c1nc2ccc(-c3ccc(Cl)cc3)cc2c(=O)n1C[C@@H]1CCC[NH2+]C1 ZINC000028711896 563062808 /nfs/dbraw/zinc/06/28/08/563062808.db2.gz KEDIOFJBLQAMKU-LJQANCHMSA-N 1 0 443.978 5.692 1 0 IKAFRO Brc1ccc(/C=C/c2sc(Nc3ccccc3)n[n+]2-c2ccccc2)cc1 ZINC000028712434 563062991 /nfs/dbraw/zinc/06/29/91/563062991.db2.gz XCVUWWYWMKOLJA-DTQAZKPQSA-N 1 0 435.370 6.096 1 0 IKAFRO CC(C)[NH+](CC[C@]1(c2ccccc2)C(=O)N[C@H](c2ccccc2)N2CCCC[C@@H]21)C(C)C ZINC000028755220 563063336 /nfs/dbraw/zinc/06/33/36/563063336.db2.gz IGHPVIUYETXOHE-FULLSBAXSA-N 1 0 433.640 5.116 1 0 IKAFRO CC[N@H+](CCCCCCOC(=O)c1ccc(OC)c(OC)c1)[C@@H]1CCc2ccccc2C1 ZINC000028766512 563064110 /nfs/dbraw/zinc/06/41/10/563064110.db2.gz PMVOPWZKALHBOU-XMMPIXPASA-N 1 0 439.596 5.300 1 0 IKAFRO CC[NH+](CC)CCC[C@@H](C)Nc1ncc2c(ncn2Cc2ccc(Cl)cc2Cl)n1 ZINC000028817838 563064794 /nfs/dbraw/zinc/06/47/94/563064794.db2.gz ORMOKIUSNFANPO-OAHLLOKOSA-N 1 0 435.403 5.104 1 0 IKAFRO CC[NH+](CC)CCC[C@@H](C)Nc1ncc2ncn(Cc3ccc(Cl)cc3Cl)c2n1 ZINC000028817835 563064895 /nfs/dbraw/zinc/06/48/95/563064895.db2.gz UMYNYJMAPDEHIX-OAHLLOKOSA-N 1 0 435.403 5.104 1 0 IKAFRO COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000028819841 563065268 /nfs/dbraw/zinc/06/52/68/563065268.db2.gz SEHYKDKJFNZRFG-HNNXBMFYSA-N 1 0 449.378 5.416 1 0 IKAFRO COc1ccc(N2Cc3ccc(Cl)c(Cl)c3C2=O)cc1OCC[NH+]1CCC(C)CC1 ZINC000028819803 563065275 /nfs/dbraw/zinc/06/52/75/563065275.db2.gz KNLMOIKUSVDDQM-UHFFFAOYSA-N 1 0 449.378 5.273 1 0 IKAFRO CC(C)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C[N@H+](C)C(C)C)ccn32)n1 ZINC000028822176 563065665 /nfs/dbraw/zinc/06/56/65/563065665.db2.gz RJQCSMMLKFIZOH-UHFFFAOYSA-N 1 0 432.547 5.258 1 0 IKAFRO C[C@H](c1ccc(C(F)(F)F)cc1)N(CCCCC[NH3+])C(=O)Cc1c[nH]c2ccccc12 ZINC000028825914 563066301 /nfs/dbraw/zinc/06/63/01/563066301.db2.gz QSFONRPIBFZHKU-QGZVFWFLSA-N 1 0 431.502 5.448 1 0 IKAFRO Cc1ccc(Cn2cc(/C=C3/[C@H](O)C4CC[NH+]3CC4)c3cc(Br)ccc32)cc1 ZINC000028826449 563066482 /nfs/dbraw/zinc/06/64/82/563066482.db2.gz GFUGYSAHXALDMM-YBFHISRDSA-N 1 0 437.381 5.188 1 0 IKAFRO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c2cc(-c3cccnc3)oc21 ZINC000028877939 563067715 /nfs/dbraw/zinc/06/77/15/563067715.db2.gz QTYCTYCQCDIUES-UHFFFAOYSA-N 1 0 430.504 5.079 1 0 IKAFRO O=C1NC(=Cc2ccc(C[NH+]3CCCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000028899220 563068926 /nfs/dbraw/zinc/06/89/26/563068926.db2.gz YBQBUHQJMXMCKL-BWAHOGKJSA-N 1 0 439.515 5.172 1 0 IKAFRO CCC[N@@H+](Cc1c(C)nc2n1c1cccnc1n2-c1c(C)cc(C)cc1Cl)CC1CC1 ZINC000028903413 563069164 /nfs/dbraw/zinc/06/91/64/563069164.db2.gz GWPKTYZQUDYQGW-UHFFFAOYSA-N 1 0 436.003 5.874 1 0 IKAFRO CCC[N@@H+](Cc1c(CC)nc2n1c1cccnc1n2-c1c(C)cc(C)cc1C)CC1CCC1 ZINC000028903388 563069266 /nfs/dbraw/zinc/06/92/66/563069266.db2.gz DIQBITBTVLGGJD-UHFFFAOYSA-N 1 0 443.639 6.173 1 0 IKAFRO COc1ccc2c(C)cc(N[C@H]3CCC[C@H]([NH2+]Cc4ccc5nsnc5c4)C3)nc2c1 ZINC000028951126 563069637 /nfs/dbraw/zinc/06/96/37/563069637.db2.gz QGNADKOJLHFNDE-ROUUACIJSA-N 1 0 433.581 5.069 1 0 IKAFRO COc1ccc2c(C)cc(N[C@H]3CCC[C@H]([NH2+]Cc4cncc5ccccc54)C3)nc2c1 ZINC000028951077 563069640 /nfs/dbraw/zinc/06/96/40/563069640.db2.gz JMJVAROAWXUCQG-VXKWHMMOSA-N 1 0 426.564 5.613 1 0 IKAFRO CC(C)CCn1c(Cn2c3ccccc3n(C(C)C)c2=O)nc2cc(C[NH2+]C3CC3)ccc21 ZINC000028952213 563069755 /nfs/dbraw/zinc/06/97/55/563069755.db2.gz JNQGIWUGWUIOFL-UHFFFAOYSA-N 1 0 445.611 5.080 1 0 IKAFRO Clc1ccc([C@@H](c2ccccc2)c2ccc(OCC[NH+]3CCCC3)c3ccccc32)cc1 ZINC000028955541 563070192 /nfs/dbraw/zinc/07/01/92/563070192.db2.gz FJYTWQZHFWAWRE-GDLZYMKVSA-N 1 0 442.002 7.148 1 0 IKAFRO Fc1ccc([C@@H](c2ccccc2)c2ccc(OCC[NH+]3CCCC3)c3ccccc32)cc1 ZINC000028956030 563070241 /nfs/dbraw/zinc/07/02/41/563070241.db2.gz ZNOLMNBGDYFLPB-GDLZYMKVSA-N 1 0 425.547 6.634 1 0 IKAFRO C[NH+](C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NC2CCCCC2)n1 ZINC000028963566 563070859 /nfs/dbraw/zinc/07/08/59/563070859.db2.gz XOFCECRXLYMPDH-UHFFFAOYSA-N 1 0 444.558 5.404 1 0 IKAFRO CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2[NH2+][C@H]1CCCc2ccccc21 ZINC000029042804 563072236 /nfs/dbraw/zinc/07/22/36/563072236.db2.gz RPWRCPNRVFIHNA-LOSJGSFVSA-N 1 0 440.631 6.927 1 0 IKAFRO CC[C@]1(CCCCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)c2ccccc2NC1=O ZINC000029052992 563073214 /nfs/dbraw/zinc/07/32/14/563073214.db2.gz LLEDBTDMYSFCBM-VWLOTQADSA-N 1 0 426.004 5.323 1 0 IKAFRO CCc1cccc(CC)c1-c1cc(CC)c2c(n1)CCC[C@@H]2[N@H+](CC)Cc1ccccc1 ZINC000029054362 563073286 /nfs/dbraw/zinc/07/32/86/563073286.db2.gz KPVVYLNLPPTVJX-NDEPHWFRSA-N 1 0 426.648 7.335 1 0 IKAFRO CC[C@@]1(CCCC[NH+]2CCN(c3ccc(C)c(Cl)c3)CC2)c2ccccc2NC1=O ZINC000029054979 563073377 /nfs/dbraw/zinc/07/33/77/563073377.db2.gz WDKYMABIRCWBQO-RUZDIDTESA-N 1 0 426.004 5.241 1 0 IKAFRO CC[C@]1(CCCC[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)c2ccccc2NC1=O ZINC000029054982 563073395 /nfs/dbraw/zinc/07/33/95/563073395.db2.gz TWNOAQCUHOXOHW-DEOSSOPVSA-N 1 0 446.422 5.586 1 0 IKAFRO CCC[N@@H+]1C[C@@H]2[C@@H](c3ccccc3)CC[C@H]1CN2Cc1ccc(C(=O)N(CC)CC)cc1 ZINC000029123575 563074000 /nfs/dbraw/zinc/07/40/00/563074000.db2.gz YNPJXHDZWVQOGL-OYUWMTPXSA-N 1 0 433.640 5.011 1 0 IKAFRO Clc1cccc(-c2nn(-c3ccc(OCc4ccccc4)cc3)[n+](-c3ccccc3)n2)c1 ZINC000029131119 563075551 /nfs/dbraw/zinc/07/55/51/563075551.db2.gz MIXHPGRVKZAEMH-UHFFFAOYSA-N 1 0 439.926 5.443 1 0 IKAFRO Clc1cccc(-[n+]2nc(-c3ccccc3)nn2-c2ccc(OCc3ccccc3)cc2)c1 ZINC000029131117 563075561 /nfs/dbraw/zinc/07/55/61/563075561.db2.gz LULODIMIKPTHBY-UHFFFAOYSA-N 1 0 439.926 5.443 1 0 IKAFRO Clc1cccc([C@](c2nccs2)(c2ccc(C[NH+]3CCCC3)cc2)n2ccnc2)c1 ZINC000029134826 563076096 /nfs/dbraw/zinc/07/60/96/563076096.db2.gz ZCENRPHEXVLQMR-DEOSSOPVSA-N 1 0 434.996 5.429 1 0 IKAFRO Fc1ccc([C@](c2ccc(Cl)cc2)(c2ccc(C[NH+]3CCCC3)cc2)n2ccnc2)cc1 ZINC000029134937 563076135 /nfs/dbraw/zinc/07/61/35/563076135.db2.gz XMDSHDUITWWPPB-HHHXNRCGSA-N 1 0 445.969 6.112 1 0 IKAFRO Clc1cccc([C@@](c2cccs2)(c2ccc(C[NH+]3CCCC3)cc2)n2ccnc2)c1 ZINC000029134907 563076156 /nfs/dbraw/zinc/07/61/56/563076156.db2.gz YPJMHYIATBWPDM-RUZDIDTESA-N 1 0 434.008 6.034 1 0 IKAFRO CC[NH+]1CCC(CNc2nc3ccccc3c(Nc3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000029203281 563076363 /nfs/dbraw/zinc/07/63/63/563076363.db2.gz OBUCCXACRLOHNA-UHFFFAOYSA-N 1 0 429.490 5.536 1 0 IKAFRO CC[NH+](CC)CCC[C@@H](C)Nc1nc2ccccc2c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000029204562 563076420 /nfs/dbraw/zinc/07/64/20/563076420.db2.gz HKFUHSNUMQZXCB-QGZVFWFLSA-N 1 0 445.533 6.315 1 0 IKAFRO CC[NH+]1CCC(CNc2nc3ccccc3c(Nc3cc(Cl)cc(Cl)c3)n2)CC1 ZINC000029205835 563076430 /nfs/dbraw/zinc/07/64/30/563076430.db2.gz LQVZHWLAEQRNFZ-UHFFFAOYSA-N 1 0 430.383 5.824 1 0 IKAFRO C=Cc1ccnc2c(N[C@@H](C)CCC[NH3+])cc(OC)c(Oc3cccc(C(F)(F)F)c3)c12 ZINC000029337712 563078290 /nfs/dbraw/zinc/07/82/90/563078290.db2.gz YKMPELAIRASPBL-HNNXBMFYSA-N 1 0 445.485 6.237 1 0 IKAFRO COc1cccc(OC)c1OCC[NH2+]C[C@H]1C[C@@H](c2ccccc2)c2ccccc2S1 ZINC000029390983 563078958 /nfs/dbraw/zinc/07/89/58/563078958.db2.gz JGLLHUJRQIQLNY-IRLDBZIGSA-N 1 0 435.589 5.369 1 0 IKAFRO C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCCC(c2ccccc2)c2ccccc2)C1 ZINC000029406536 563079506 /nfs/dbraw/zinc/07/95/06/563079506.db2.gz QZJCKWFHBYEESM-SXOMAYOGSA-N 1 0 448.006 6.141 1 0 IKAFRO C[NH+](C)CCOc1ccc([C@@]2(c3ccccc3)[C@H](c3ccccc3)C2(Cl)Cl)cc1 ZINC000029406395 563079509 /nfs/dbraw/zinc/07/95/09/563079509.db2.gz IDPUGYXWCKNQJB-ZEQRLZLVSA-N 1 0 426.387 5.884 1 0 IKAFRO C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCCC(c2ccccc2)c2ccccc2)C1 ZINC000029406533 563079522 /nfs/dbraw/zinc/07/95/22/563079522.db2.gz QZJCKWFHBYEESM-SVBPBHIXSA-N 1 0 448.006 6.141 1 0 IKAFRO C[C@H](C[N@@H+]1CCCC[C@@H]1CC1CCCCC1)c1cccc(C(=O)c2ccccc2Cl)c1 ZINC000029409831 563079840 /nfs/dbraw/zinc/07/98/40/563079840.db2.gz USIFEXVPSBOAFL-PXDATVDWSA-N 1 0 438.055 7.499 1 0 IKAFRO Cc1cc(Br)c(O)c(-c2[nH]c3ccc(C(N)=[NH2+])cc3c2Cc2ccccc2)c1 ZINC000029479084 563081068 /nfs/dbraw/zinc/08/10/68/563081068.db2.gz PTXZAYDCYHSSEH-UHFFFAOYSA-N 1 0 434.337 5.486 1 0 IKAFRO COc1ccc(C[NH2+][C@@H](CNC(=O)Nc2c(C(C)C)cccc2C(C)C)C(C)C)cc1 ZINC000029481361 563081118 /nfs/dbraw/zinc/08/11/18/563081118.db2.gz XAYNMCWPDATELQ-DEOSSOPVSA-N 1 0 425.617 5.878 1 0 IKAFRO Cc1c(F)c(Oc2cccc(C(N)=[NH2+])c2)nc(N2CCC(C)(c3ccccc3)CC2)c1F ZINC000029551234 563081922 /nfs/dbraw/zinc/08/19/22/563081922.db2.gz QGIPJVHEMNUPHU-UHFFFAOYSA-N 1 0 436.506 5.303 1 0 IKAFRO c1ccc(Cn2c3ccccc3nc2NC2CC[NH+](CCCOc3ccccc3)CC2)cc1 ZINC000029556685 563082114 /nfs/dbraw/zinc/08/21/14/563082114.db2.gz OSAAXPGWCYCFPB-UHFFFAOYSA-N 1 0 440.591 5.430 1 0 IKAFRO CC(C)[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1 ZINC000029559783 563082318 /nfs/dbraw/zinc/08/23/18/563082318.db2.gz WJLRKZLYCZXLCP-QHCPKHFHSA-N 1 0 443.543 5.110 1 0 IKAFRO Fc1ccc(CC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccccc3)CC2)cc1 ZINC000029564189 563082471 /nfs/dbraw/zinc/08/24/71/563082471.db2.gz RGOUHJBKJSHGGJ-UHFFFAOYSA-N 1 0 428.555 5.343 1 0 IKAFRO c1csc(-n2cc(CCCC[NH+]3CCC4(CC3)OCc3ccccc34)c3ccccc32)n1 ZINC000029570944 563083027 /nfs/dbraw/zinc/08/30/27/563083027.db2.gz LXHSLLXNGYZVEX-UHFFFAOYSA-N 1 0 443.616 5.931 1 0 IKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2nccc(C)c2c1OCCCCCc1cccs1 ZINC000032023146 563084000 /nfs/dbraw/zinc/08/40/00/563084000.db2.gz GTTMJDJRDBOFLX-LJQANCHMSA-N 1 0 441.641 5.944 1 0 IKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2nccc(C)c2c1OCc1cccc(C(F)(F)F)c1 ZINC000032023127 563084042 /nfs/dbraw/zinc/08/40/42/563084042.db2.gz KWXDHTBOEAXXHW-MRXNPFEDSA-N 1 0 447.501 5.689 1 0 IKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2ncccc2c1Sc1cc(Cl)ccc1Cl ZINC000032290340 563084169 /nfs/dbraw/zinc/08/41/69/563084169.db2.gz BCHIRTCLRJSMPT-ZDUSSCGKSA-N 1 0 436.408 6.241 1 0 IKAFRO COc1c2c(c3c(c1OC)C[N@@H+](CCC(c1ccccc1)c1ccccc1)CC3)CCC2 ZINC000033826951 563084782 /nfs/dbraw/zinc/08/47/82/563084782.db2.gz SCVGIQWFDLXGKO-UHFFFAOYSA-N 1 0 427.588 5.773 1 0 IKAFRO CC(C)(C)C1(O)CC[NH+](C[C@@H]2c3ccccc3CCc3ccc(Br)cc32)CC1 ZINC000033875351 563084978 /nfs/dbraw/zinc/08/49/78/563084978.db2.gz TZXGMZSFQAFIAT-HSZRJFAPSA-N 1 0 442.441 5.553 1 0 IKAFRO C[N@@H+]1CCC[C@@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CC1 ZINC000034662032 563086906 /nfs/dbraw/zinc/08/69/06/563086906.db2.gz WOJBHNJZTIILBM-OAQYLSRUSA-N 1 0 445.447 6.295 1 0 IKAFRO O=C1NC(c2ccccc2)(c2ccccc2)CN1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000034802145 563087592 /nfs/dbraw/zinc/08/75/92/563087592.db2.gz KVCMZPILKHYETB-SANMLTNESA-N 1 0 425.576 5.010 1 0 IKAFRO Cc1cccc(C[NH+]2CCC(N3CC(c4cccs4)(c4cccs4)NC3=O)CC2)c1 ZINC000034802132 563087639 /nfs/dbraw/zinc/08/76/39/563087639.db2.gz ZAACSVRUEKCICF-UHFFFAOYSA-N 1 0 437.634 5.051 1 0 IKAFRO Cc1nc2ccccc2n1C1CC[NH+](CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000034820528 563088028 /nfs/dbraw/zinc/08/80/28/563088028.db2.gz ALDSFVOFVJGKIF-DEOSSOPVSA-N 1 0 430.596 5.029 1 0 IKAFRO C[NH+](C)Cc1ccc(Nc2nc3ncnc(Nc4ccc(F)c(Cl)c4)c3s2)cc1 ZINC000034874838 563088328 /nfs/dbraw/zinc/08/83/28/563088328.db2.gz LURCBUMOAWQHLM-UHFFFAOYSA-N 1 0 428.924 5.428 1 0 IKAFRO Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H]([NH3+])CC(C)C)c1 ZINC000034892377 563088556 /nfs/dbraw/zinc/08/85/56/563088556.db2.gz RZLPZBLBQNNVLZ-YKSBVNFPSA-N 1 0 442.047 5.222 1 0 IKAFRO COC(=O)CCC[NH2+]C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000035050534 563089093 /nfs/dbraw/zinc/08/90/93/563089093.db2.gz WZFGYZBIBCKUTK-ZHHJOTBYSA-N 1 0 431.661 5.105 1 0 IKAFRO Clc1ccc([C@@](Cn2ccnc2)(c2ccccc2)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000035246410 563089628 /nfs/dbraw/zinc/08/96/28/563089628.db2.gz PQNPIYFCNWCJSH-NDEPHWFRSA-N 1 0 442.006 6.167 1 0 IKAFRO O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000035325121 563089907 /nfs/dbraw/zinc/08/99/07/563089907.db2.gz GSDMGLIRMIERDF-UHFFFAOYSA-N 1 0 445.994 5.273 1 0 IKAFRO Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3cccs3)cc12 ZINC000035849752 563090157 /nfs/dbraw/zinc/09/01/57/563090157.db2.gz GOXLCLLWYXGIEE-FQEVSTJZSA-N 1 0 440.572 5.611 1 0 IKAFRO C[NH+](C)[C@H]1CC[C@@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1 ZINC000035998236 563090698 /nfs/dbraw/zinc/09/06/98/563090698.db2.gz QHPRLDAGUGKEPY-LEWJYISDSA-N 1 0 445.447 6.293 1 0 IKAFRO Cc1ccc(C[NH+]2CCN(C3=Nc4cc(Cl)ccc4Nc4ccccc43)CC2)c(C)c1 ZINC000036089425 563090835 /nfs/dbraw/zinc/09/08/35/563090835.db2.gz YZSCUEBLGDGOJJ-UHFFFAOYSA-N 1 0 430.983 5.910 1 0 IKAFRO CN(C(=O)c1ccc(-c2ccc(Cl)cc2)cn1)[C@H]1CCc2cc(C[NH+](C)C)ccc2C1 ZINC000036126696 563091213 /nfs/dbraw/zinc/09/12/13/563091213.db2.gz JGTFYTXGSPCVDN-DEOSSOPVSA-N 1 0 433.983 5.093 1 0 IKAFRO O=C(Nc1ccccc1)Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@@H+](CC1CCC1)CC3 ZINC000036221701 563092097 /nfs/dbraw/zinc/09/20/97/563092097.db2.gz UDWPHJLFGHTIHV-OROMBRFGSA-N 1 0 430.592 6.156 1 0 in-vivo IKAFRO CC[NH+](CC)Cc1cnc2c(cccc2CNC(=O)c2ccc(-c3ccc(F)cc3)cc2)c1 ZINC000036270590 563092393 /nfs/dbraw/zinc/09/23/93/563092393.db2.gz NJDDKXJNJSUDSR-UHFFFAOYSA-N 1 0 441.550 5.813 1 0 IKAFRO C[NH+](C)CCc1cccc2[nH]c(-c3nc(CCc4ccc(C(F)(F)F)cc4)no3)cc21 ZINC000036311389 563092734 /nfs/dbraw/zinc/09/27/34/563092734.db2.gz RALLHNQWXKUZBJ-UHFFFAOYSA-N 1 0 428.458 5.126 1 0 IKAFRO C[NH+](C)[C@@H]1CCN(c2ccc(-c3coc4cc(-c5ccc(Cl)cc5)ccc4c3=O)cn2)C1 ZINC000036351542 563093289 /nfs/dbraw/zinc/09/32/89/563093289.db2.gz WUOVBRPWEZTIPN-OAQYLSRUSA-N 1 0 445.950 5.316 1 0 IKAFRO COc1ccc(C(=O)CCC[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000036351458 563093309 /nfs/dbraw/zinc/09/33/09/563093309.db2.gz TWIPPDALRSWINY-UHFFFAOYSA-N 1 0 443.587 5.306 1 0 IKAFRO CCCc1cc(N(C)C)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2[nH+]1 ZINC000036351927 563093497 /nfs/dbraw/zinc/09/34/97/563093497.db2.gz GNDQGVNJNAVFDD-MDWZMJQESA-N 1 0 427.470 5.924 1 0 IKAFRO Cc1ccccc1NC1=[NH+]c2cc(C)c(C)cc2N[C@@]12C[C@@H]1CCN3C(=O)CCC[C@H](C2)[C@H]13 ZINC000036383182 563094230 /nfs/dbraw/zinc/09/42/30/563094230.db2.gz FMEOTJQXWOLETR-HZXNDUOTSA-N 1 0 442.607 5.729 1 0 IKAFRO CC(C)(C)C(=O)O[C@@H]1CC2([NH+]3CCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000036474636 563095379 /nfs/dbraw/zinc/09/53/79/563095379.db2.gz DEQSUUWAJZVENM-AYKZCTJPSA-N 1 0 431.620 6.160 1 0 IKAFRO Cc1c(-c2ccc3cc(CC[N@H+]4CCC[C@H]4C)ccc3n2)nnn1-c1ccc(F)cc1F ZINC000038226063 563097084 /nfs/dbraw/zinc/09/70/84/563097084.db2.gz UBKCIYMLUUFSDB-MRXNPFEDSA-N 1 0 433.506 5.096 1 0 IKAFRO Cc1ccc2c(cccc2OCC[NH+]2CCC(Cc3cccc(N4CCCC4=O)c3)CC2)n1 ZINC000038389629 563097579 /nfs/dbraw/zinc/09/75/79/563097579.db2.gz CMGCUKSVHPVYFF-UHFFFAOYSA-N 1 0 443.591 5.004 1 0 IKAFRO COc1ccc2c(c[n+]3c(c2CC2CCCCC2)-c2cc(OC)c(OC)cc2CC3)c1OC ZINC000038386279 563097614 /nfs/dbraw/zinc/09/76/14/563097614.db2.gz HVDWTFLKQUHYRU-UHFFFAOYSA-N 1 0 448.583 5.508 1 0 IKAFRO COc1cc(CCNC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)ccc1C[NH+]1CCCC1 ZINC000038841158 563098556 /nfs/dbraw/zinc/09/85/56/563098556.db2.gz XNXMRTHXJJWSOI-UHFFFAOYSA-N 1 0 448.994 5.584 1 0 IKAFRO OC1(c2cccnc2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040394564 563100434 /nfs/dbraw/zinc/10/04/34/563100434.db2.gz IWADOPWWRIXIBC-OOEJVQDLSA-N 1 0 439.386 5.992 1 0 IKAFRO CCCN1CN(c2ccccc2)C2(CC[NH+]([C@@H]3CCC(C)(C)c4ccccc43)CC2)C1=O ZINC000040394475 563100453 /nfs/dbraw/zinc/10/04/53/563100453.db2.gz JNSDWRYEOZHWLE-RUZDIDTESA-N 1 0 431.624 5.350 1 0 IKAFRO Cc1c(C[NH2+]C2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040394788 563100522 /nfs/dbraw/zinc/10/05/22/563100522.db2.gz YMZZWHSQURMSOE-UHFFFAOYSA-N 1 0 448.825 7.230 1 0 IKAFRO C[N@H+](CCCc1cn(-c2ccc(F)cc2)c2ccccc12)Cc1ccc(Cl)c(Cl)c1 ZINC000040413636 563101964 /nfs/dbraw/zinc/10/19/64/563101964.db2.gz WWMCFXGMXTVOPD-UHFFFAOYSA-N 1 0 441.377 7.141 1 0 IKAFRO Nc1ccc(/C=C/CN2CC[NH+](CCCCn3c4ccccc4c4ccccc43)CC2)cc1 ZINC000040430222 563103360 /nfs/dbraw/zinc/10/33/60/563103360.db2.gz QTIFLUBZUBTKGL-BQYQJAHWSA-N 1 0 438.619 5.488 1 0 IKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2ncccc2c1Oc1ccc(OC(F)(F)F)cc1 ZINC000040465290 563103888 /nfs/dbraw/zinc/10/38/88/563103888.db2.gz GPYNHNKADRCOBF-AWEZNQCLSA-N 1 0 435.446 5.474 1 0 IKAFRO OC(c1ccc(F)cc1)(c1ccc(F)cc1)C1CC[NH+](CCCNc2ccccc2)CC1 ZINC000040505971 563104292 /nfs/dbraw/zinc/10/42/92/563104292.db2.gz ZBEHCBPLDSYXEL-UHFFFAOYSA-N 1 0 436.546 5.415 1 0 IKAFRO CC(C)CC[NH2+][C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000040566180 563104865 /nfs/dbraw/zinc/10/48/65/563104865.db2.gz RDTVWHAKESBWNU-IBGZPJMESA-N 1 0 446.435 5.717 1 0 IKAFRO Cc1cc(OCC[NH+](C(C)C)C(C)C)ccc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000040567640 563105060 /nfs/dbraw/zinc/10/50/60/563105060.db2.gz OYHAVEPEZQFUIJ-UHFFFAOYSA-N 1 0 430.592 6.412 1 0 IKAFRO COc1cc(NC(=O)c2cccc(-c3ccccc3)c2)ccc1OCC[NH+](C(C)C)C(C)C ZINC000040567747 563105152 /nfs/dbraw/zinc/10/51/52/563105152.db2.gz FHSUGANMRSIROB-UHFFFAOYSA-N 1 0 446.591 6.112 1 0 IKAFRO O=C1CC2([NH+]3CCCC3)C[C@H](c3ccc(Cl)cc3)C(N1)[C@@H](c1ccc(Cl)cc1)C2 ZINC000040753384 563106239 /nfs/dbraw/zinc/10/62/39/563106239.db2.gz WBTBEARURMOPNS-WXYTXABISA-N 1 0 429.391 5.378 1 0 IKAFRO COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCC[NH+](C(C)C)C(C)C ZINC000040764455 563106611 /nfs/dbraw/zinc/10/66/11/563106611.db2.gz RZJWWQSGWHXWAK-UHFFFAOYSA-N 1 0 446.591 6.112 1 0 IKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2ncccc2c1Oc1ccc(F)c(C(F)(F)F)c1 ZINC000040801435 563106812 /nfs/dbraw/zinc/10/68/12/563106812.db2.gz AQQAKDYJBMFJEC-ZDUSSCGKSA-N 1 0 437.437 5.733 1 0 IKAFRO c1cn2cc(-c3ccc(OCC[NH+]4CCCCC4)cc3)cnc2c1-c1ccnc2ccccc21 ZINC000040876677 563109506 /nfs/dbraw/zinc/10/95/06/563109506.db2.gz OQBUYVIUGHIPDS-UHFFFAOYSA-N 1 0 448.570 6.081 1 0 IKAFRO CC(C)(C)c1ccc2nc(/C=C/c3ccc(Cl)cc3)nc(NCCCCCC[NH3+])c2c1 ZINC000040878359 563109599 /nfs/dbraw/zinc/10/95/99/563109599.db2.gz LSITXMMAEPOKRM-XNTDXEJSSA-N 1 0 437.031 6.682 1 0 IKAFRO OC1(c2ccccc2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040881424 563109808 /nfs/dbraw/zinc/10/98/08/563109808.db2.gz FRMIDCOICRIAHB-NJEHHLDASA-N 1 0 438.398 6.597 1 0 IKAFRO Oc1ccc(C2=C(c3ccc(OCC[NH+]4CCCC4)cc3)CCOc3cc(F)ccc32)cc1 ZINC000040915297 563111357 /nfs/dbraw/zinc/11/13/57/563111357.db2.gz IOVMPPWOKWVVJR-UHFFFAOYSA-N 1 0 445.534 5.748 1 0 IKAFRO Cc1ccc([C@H](C)[NH+](Cc2ccc(O)c3ncccc23)Cc2ccc(O)c3ncccc23)cc1 ZINC000040918388 563111754 /nfs/dbraw/zinc/11/17/54/563111754.db2.gz PTYHMXYWMCRQHE-FQEVSTJZSA-N 1 0 449.554 6.266 1 0 IKAFRO COc1ccc(C)cc1NC(=O)OC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(CCF)cc1 ZINC000040933328 563112198 /nfs/dbraw/zinc/11/21/98/563112198.db2.gz IHTNOIBAFDUQSS-AIZNXBIQSA-N 1 0 440.559 5.650 1 0 IKAFRO CC[C@@H](Oc1ccccc1)C(=O)N(C[C@H]1CCC[NH2+]1)c1cccc(-c2ccccc2)c1OC ZINC000040939370 563113369 /nfs/dbraw/zinc/11/33/69/563113369.db2.gz ZETDKYWPINQKEO-ATIYNZHBSA-N 1 0 444.575 5.305 1 0 IKAFRO CCCC[NH+](CCCC)Cc1cc(Nc2ccnc3cc(Cl)ccc32)ccc1Cl ZINC000040952822 563114197 /nfs/dbraw/zinc/11/41/97/563114197.db2.gz XNMKOWKISXRIGP-UHFFFAOYSA-N 1 0 430.423 7.687 1 0 IKAFRO Clc1cccc(N2CC[NH+](CCCCOc3cc4ccccc4cn3)CC2)c1Cl ZINC000040955759 563114675 /nfs/dbraw/zinc/11/46/75/563114675.db2.gz MHFKMHGOYNDZEI-UHFFFAOYSA-N 1 0 430.379 5.523 1 0 IKAFRO Oc1cccc(/C=C/CN2CC[NH+](CCCCn3c4ccccc4c4ccccc43)CC2)c1 ZINC000040975414 563115310 /nfs/dbraw/zinc/11/53/10/563115310.db2.gz KYIMKWSWCPMOEY-CSKARUKUSA-N 1 0 439.603 5.611 1 0 IKAFRO Cn1c(C[NH2+]C2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000043009846 563116410 /nfs/dbraw/zinc/11/64/10/563116410.db2.gz AXIPBUHREZEFKK-UHFFFAOYSA-N 1 0 434.798 6.747 1 0 IKAFRO NC(=[NH2+])c1ccc2cc(-c3ccc(OCCCCCCOc4ccccc4)cc3)oc2c1 ZINC000043011266 563116467 /nfs/dbraw/zinc/11/64/67/563116467.db2.gz KALFEWKQNYTOCS-UHFFFAOYSA-N 1 0 428.532 6.402 1 0 IKAFRO FC(F)(F)c1cc(COC[C@@]2(c3ccccc3)CCCC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000043105387 563118640 /nfs/dbraw/zinc/11/86/40/563118640.db2.gz SWRYEUIYPAAURZ-OAQYLSRUSA-N 1 0 445.447 6.342 1 0 IKAFRO Cc1ccc(Sc2ccc(-c3ccc(CCC([NH3+])(CO)CO)c(Cl)c3)c(F)c2)cc1 ZINC000043177262 563119144 /nfs/dbraw/zinc/11/91/44/563119144.db2.gz IYHOZKFNCBUEEM-UHFFFAOYSA-N 1 0 445.987 5.220 1 0 IKAFRO C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)([NH3+])[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000044137985 563121661 /nfs/dbraw/zinc/12/16/61/563121661.db2.gz LTBKTDVSMMFMFP-OAGUWEFLSA-N 1 0 427.717 6.716 1 0 IKAFRO CN(CC[NH3+])Cc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)c1 ZINC000045166919 563122246 /nfs/dbraw/zinc/12/22/46/563122246.db2.gz VYHLUKZWOKWOFD-UHFFFAOYSA-N 1 0 430.499 5.368 1 0 IKAFRO CC(C)CC[N@@H+]1CCCN(Cc2cccc(NC(=O)c3cc4ccccc4s3)c2)CC1 ZINC000045168163 563122568 /nfs/dbraw/zinc/12/25/68/563122568.db2.gz WXJMRVURQHEBJE-UHFFFAOYSA-N 1 0 435.637 5.707 1 0 IKAFRO O=C(Nc1ccc(OC2CC[NH+](Cc3ccc(F)cc3)CC2)c(Cl)c1)c1ccsc1 ZINC000045168603 563122683 /nfs/dbraw/zinc/12/26/83/563122683.db2.gz NDBZVMDEHABSHS-UHFFFAOYSA-N 1 0 444.959 5.836 1 0 IKAFRO CC(=O)Nc1ccc(C[NH2+][C@@H]2Cc3ccc(-c4ccc(Cl)c(Cl)c4)cc3C2)cc1 ZINC000045186774 563122780 /nfs/dbraw/zinc/12/27/80/563122780.db2.gz PIGXUBNMQSSMGJ-JOCHJYFZSA-N 1 0 425.359 5.876 1 0 IKAFRO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CCCC[C@@]2(C)C(=O)Nc3cccc(F)c32)CC1 ZINC000045189478 563123211 /nfs/dbraw/zinc/12/32/11/563123211.db2.gz BZVCDKASURXRKD-HHHXNRCGSA-N 1 0 431.555 5.785 1 0 IKAFRO O=C(/C=C/c1ccccc1O)NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000045189152 563123220 /nfs/dbraw/zinc/12/32/20/563123220.db2.gz BEFZUDZVXGRKIE-OUKQBFOZSA-N 1 0 431.580 5.053 1 0 IKAFRO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CCCC[C@]2(C)C(=O)Nc3cccc(F)c32)CC1 ZINC000045189481 563123258 /nfs/dbraw/zinc/12/32/58/563123258.db2.gz BZVCDKASURXRKD-MHZLTWQESA-N 1 0 431.555 5.785 1 0 IKAFRO CN(C)c1ccc(-c2ccc(C(=O)NC3CC[NH+](Cc4ccccc4F)CC3)s2)cc1 ZINC000045190025 563123287 /nfs/dbraw/zinc/12/32/87/563123287.db2.gz XKBVZTHJGLNHAX-UHFFFAOYSA-N 1 0 437.584 5.015 1 0 IKAFRO C[C@H](Cc1ccc(Sc2ccccc2)cc1)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000045190240 563123445 /nfs/dbraw/zinc/12/34/45/563123445.db2.gz DIRLRUINXUWWAZ-HXOBKFHXSA-N 1 0 431.523 6.111 1 0 IKAFRO CC(C)[NH2+]Cc1ccc(-c2ccc([N-]S(=O)(=O)c3cccc4cccnc43)cc2)cc1 ZINC000045191118 563123555 /nfs/dbraw/zinc/12/35/55/563123555.db2.gz KCYYMIFLZJIHDF-UHFFFAOYSA-N 1 0 431.561 5.201 1 0 IKAFRO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)cc3)c2)C1 ZINC000045191578 563123781 /nfs/dbraw/zinc/12/37/81/563123781.db2.gz IKQCEUSIFNIATQ-XMMPIXPASA-N 1 0 442.538 5.089 1 0 IKAFRO Cc1cc(N[C@@H]2CC[N@H+](CC3CCCCC3)C2)nc(Nc2ccc(Br)cc2)n1 ZINC000045229441 563126001 /nfs/dbraw/zinc/12/60/01/563126001.db2.gz YCMILAFOOKDIGZ-HXUWFJFHSA-N 1 0 444.421 5.358 1 0 IKAFRO O=C(Nc1cccc(CN2CCC[N@@H+](Cc3ccc(O)cc3)CC2)c1)c1cccc(Cl)c1 ZINC000045195213 563124462 /nfs/dbraw/zinc/12/44/62/563124462.db2.gz GAPCBDLSTAUWTI-UHFFFAOYSA-N 1 0 449.982 5.006 1 0 IKAFRO CCCCC[N@@H+]1CCCN(Cc2cccc(NC(=O)c3ccc4ccccc4c3)c2)CC1 ZINC000045196182 563124601 /nfs/dbraw/zinc/12/46/01/563124601.db2.gz JEYHUMRSIVTCSQ-UHFFFAOYSA-N 1 0 429.608 5.790 1 0 IKAFRO C[NH+](C)CCOc1ccc(-c2cc(-c3ccncc3)c(-c3ccc(Cl)c(O)c3)o2)cc1 ZINC000045196303 563124616 /nfs/dbraw/zinc/12/46/16/563124616.db2.gz HZPFYQOXKVEQOW-UHFFFAOYSA-N 1 0 434.923 5.975 1 0 IKAFRO [NH3+][C@H]1CCN(Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)C1 ZINC000045202090 563124918 /nfs/dbraw/zinc/12/49/18/563124918.db2.gz OEIBHBZHJLETLH-NRFANRHFSA-N 1 0 436.481 5.449 1 0 IKAFRO C[NH2+]CCNCc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)c1 ZINC000045202197 563124938 /nfs/dbraw/zinc/12/49/38/563124938.db2.gz HELYNPWNVPOJIB-UHFFFAOYSA-N 1 0 430.499 5.286 1 0 IKAFRO O=C(Nc1ccc(O[C@@H]2CC[N@H+](Cc3ccsc3)C2)c(Cl)c1)c1ccc(F)cc1 ZINC000045202470 563125048 /nfs/dbraw/zinc/12/50/48/563125048.db2.gz BLXGHWCANIXPCW-LJQANCHMSA-N 1 0 430.932 5.446 1 0 IKAFRO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CCCC[C@@]23CCCc4cccc(c42)NC3=O)CC1 ZINC000045202539 563125059 /nfs/dbraw/zinc/12/50/59/563125059.db2.gz YCFIVMIIZTVCMP-GDLZYMKVSA-N 1 0 439.603 5.962 1 0 IKAFRO C[NH+](C)Cc1ccc(-c2cccc(Nc3nccc(NC[C@@H](O)c4ccccc4)n3)c2)cc1 ZINC000045210937 563125338 /nfs/dbraw/zinc/12/53/38/563125338.db2.gz SQJDGKCCZDJNLE-RUZDIDTESA-N 1 0 439.563 5.094 1 0 IKAFRO Fc1ccc2[nH]c(-c3ccc(-c4ccc(C[NH2+]CCc5cccnc5)cc4)s3)nc2c1 ZINC000045211387 563125441 /nfs/dbraw/zinc/12/54/41/563125441.db2.gz LDLCHUQLUFXEPP-UHFFFAOYSA-N 1 0 428.536 5.825 1 0 IKAFRO CCCCCC[N@@H+]1CCCN(Cc2cccc(NC(=O)c3cc4ccccc4s3)c2)CC1 ZINC000045226992 563125449 /nfs/dbraw/zinc/12/54/49/563125449.db2.gz QZIVSPDRUOWYOF-UHFFFAOYSA-N 1 0 449.664 6.242 1 0 IKAFRO COc1cc(-c2cc3cc(Cl)c(Cl)cc3[nH]2)ccc1C(=O)NCC[C@H]1CCC[N@@H+]1C ZINC000045227363 563125535 /nfs/dbraw/zinc/12/55/35/563125535.db2.gz YOKVMHQAQPQLGB-MRXNPFEDSA-N 1 0 446.378 5.364 1 0 IKAFRO Cc1ccccc1C1CC[NH+](C2CCC(NC(=O)/C=C/c3ccc(F)c(F)c3)CC2)CC1 ZINC000045227275 563125546 /nfs/dbraw/zinc/12/55/46/563125546.db2.gz UMBLZZLQHSBVKJ-NTUHNPAUSA-N 1 0 438.562 5.593 1 0 IKAFRO C[NH+]1CCC(C(=O)Nc2cccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)c2)CC1 ZINC000045227737 563125589 /nfs/dbraw/zinc/12/55/89/563125589.db2.gz VPSXKTBJTYCLEP-UHFFFAOYSA-N 1 0 428.511 5.316 1 0 IKAFRO CNc1ccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)cc3)cc2)cc1 ZINC000045228612 563125709 /nfs/dbraw/zinc/12/57/09/563125709.db2.gz JYQMREZYCDQXCW-UHFFFAOYSA-N 1 0 432.571 6.537 1 0 IKAFRO O=C(c1cc2c(s1)-c1cccc(Cl)c1SC2)N1CCN(c2cc[nH+]cc2)CC1 ZINC000045229316 563125849 /nfs/dbraw/zinc/12/58/49/563125849.db2.gz YKSUODXGCQLTNR-UHFFFAOYSA-N 1 0 427.982 5.032 1 0 IKAFRO O=C(Nc1ccc(O[C@H]2CCN(Cc3ccc(F)cc3)C2)c(Cl)c1)c1ccc(F)cc1 ZINC000045229667 563125978 /nfs/dbraw/zinc/12/59/78/563125978.db2.gz KLKUAAWQOIOQHU-NRFANRHFSA-N 1 0 442.893 5.524 1 0 IKAFRO CCc1ccc(NC(=O)c2ccc(CN3CCC[N@H+](Cc4cccc(C)c4)CC3)cc2)cc1 ZINC000045229847 563125987 /nfs/dbraw/zinc/12/59/87/563125987.db2.gz IWWJZOAUUQPIOP-UHFFFAOYSA-N 1 0 441.619 5.518 1 0 IKAFRO CNc1ccc(C[NH2+]Cc2cccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)s3)c2)cc1 ZINC000045230193 563126116 /nfs/dbraw/zinc/12/61/16/563126116.db2.gz JGWSHDVBNDTABE-UHFFFAOYSA-N 1 0 438.600 6.598 1 0 IKAFRO Cc1ccccc1C1=CC[N@H+](CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000045230181 563126121 /nfs/dbraw/zinc/12/61/21/563126121.db2.gz TUTDIKQOXCCQSB-UHFFFAOYSA-N 1 0 447.047 7.431 1 0 IKAFRO CCCC[N@@H+]1CCCN(Cc2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)CC1 ZINC000045231010 563126184 /nfs/dbraw/zinc/12/61/84/563126184.db2.gz RCEUJUVLDYLQDQ-UHFFFAOYSA-N 1 0 441.619 5.914 1 0 IKAFRO CCC[NH+](CCC)Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1 ZINC000045244880 563126294 /nfs/dbraw/zinc/12/62/94/563126294.db2.gz FSGMZSPXBSPCRE-UHFFFAOYSA-N 1 0 436.571 5.431 1 0 IKAFRO CCC[N@H+](Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1)C(C)C ZINC000045253890 563126904 /nfs/dbraw/zinc/12/69/04/563126904.db2.gz WIZAXXRQEUHBHY-UHFFFAOYSA-N 1 0 436.571 5.430 1 0 IKAFRO COc1ccccc1C[NH2+]CCCCCCCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000045253514 563126909 /nfs/dbraw/zinc/12/69/09/563126909.db2.gz GBNPWFAHXVSMNQ-UHFFFAOYSA-N 1 0 444.575 5.575 1 0 IKAFRO CN1CCC[N@H+](Cc2cccc(-c3cccc(NC(=O)c4cccc(Cl)c4)c3)c2)CC1 ZINC000045301226 563129190 /nfs/dbraw/zinc/12/91/90/563129190.db2.gz MPUJZLGSQOPXIH-UHFFFAOYSA-N 1 0 433.983 5.397 1 0 IKAFRO CCCCC[N@@H+]1CCCN(Cc2cccc(NC(=O)c3ccc(Cl)c(Cl)c3)c2)CC1 ZINC000045302000 563129291 /nfs/dbraw/zinc/12/92/91/563129291.db2.gz RKFVWWSXMIFIEG-UHFFFAOYSA-N 1 0 448.438 5.944 1 0 IKAFRO COc1ccc(-c2ccc(C(=O)N[C@H](CC[NH+](C)C)c3ccc4ccccc4c3)cc2)cc1 ZINC000045302228 563129409 /nfs/dbraw/zinc/12/94/09/563129409.db2.gz FGUKIDJCMKJULI-MUUNZHRXSA-N 1 0 438.571 5.938 1 0 IKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C[NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000045302366 563129487 /nfs/dbraw/zinc/12/94/87/563129487.db2.gz SLKXPCYISCTAMU-FNORWQNLSA-N 1 0 442.390 5.516 1 0 IKAFRO COc1cccc(C[NH+]2CCC3(CN(C(=O)Nc4ccc(Cl)c(Cl)c4)C3)CC2)c1 ZINC000045303014 563129695 /nfs/dbraw/zinc/12/96/95/563129695.db2.gz SESYAVRMJKBYJA-UHFFFAOYSA-N 1 0 434.367 5.132 1 0 IKAFRO Cc1[nH]c2cc(Cl)ccc2c1C1=CC[N@H+](CCCC[C@]2(C)c3ccccc3NC2=O)CC1 ZINC000045303024 563129699 /nfs/dbraw/zinc/12/96/99/563129699.db2.gz YXNJNZXNYQQCFQ-HHHXNRCGSA-N 1 0 448.010 6.299 1 0 IKAFRO Cc1[nH]c2cc(Cl)ccc2c1C1=CC[N@H+](CCCC[C@@]2(C)c3ccccc3NC2=O)CC1 ZINC000045303025 563129702 /nfs/dbraw/zinc/12/97/02/563129702.db2.gz YXNJNZXNYQQCFQ-MHZLTWQESA-N 1 0 448.010 6.299 1 0 IKAFRO CC(C)c1ccc(NC(=O)c2ccc(CN3CCC[N@H+](CC4CCCCC4)CC3)cc2)cc1 ZINC000045322028 563130292 /nfs/dbraw/zinc/13/02/92/563130292.db2.gz BARAUASFIAAQHP-UHFFFAOYSA-N 1 0 447.667 6.150 1 0 IKAFRO Cc1cc(N[C@@H](CC(C)C)C(=O)Nc2ccccc2)nc(NCCc2ccc(F)cc2)[nH+]1 ZINC000045322795 563130568 /nfs/dbraw/zinc/13/05/68/563130568.db2.gz PRIFQDXHDFBBCQ-QFIPXVFZSA-N 1 0 435.547 5.044 1 0 IKAFRO Cc1ccccc1C1CC[NH+](C2CCC(NC(=O)/C=C/c3cccc(Cl)c3)CC2)CC1 ZINC000045334360 563130974 /nfs/dbraw/zinc/13/09/74/563130974.db2.gz BIMZXSJVLUZVFV-NTEUORMPSA-N 1 0 437.027 5.969 1 0 IKAFRO COc1cccc(-c2csc(C(=O)NC[C@H]3CC[N@H+](Cc4ccc(C(C)C)cc4)C3)c2)c1 ZINC000045335390 563131300 /nfs/dbraw/zinc/13/13/00/563131300.db2.gz PVIYXJOTFNUKQR-OAQYLSRUSA-N 1 0 448.632 5.799 1 0 IKAFRO CSc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3cc(-c4ccccc4F)cs3)C2)cc1 ZINC000045335380 563131305 /nfs/dbraw/zinc/13/13/05/563131305.db2.gz UQGIMHSSUUVPFC-SFHVURJKSA-N 1 0 440.609 5.528 1 0 IKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC([NH2+]Cc2c[nH]c3ccccc23)CC1 ZINC000045335299 563131308 /nfs/dbraw/zinc/13/13/08/563131308.db2.gz HHBZOCGNVOEUAN-SOFGYWHQSA-N 1 0 428.363 5.269 1 0 IKAFRO O=C1c2cc(O)ccc2-c2c1c1ccccc1nc2-c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000045352516 563132310 /nfs/dbraw/zinc/13/23/10/563132310.db2.gz JTIBJOVATWLCJC-UHFFFAOYSA-N 1 0 436.511 5.293 1 0 IKAFRO C[C@@H](CCCCOCCc1ccccc1)[NH2+]C[C@H](O)c1cc(Cl)c(N)c(Cl)c1 ZINC000045357975 563132807 /nfs/dbraw/zinc/13/28/07/563132807.db2.gz SGNYRPBAZJEXOO-KKSFZXQISA-N 1 0 425.400 5.017 1 0 IKAFRO NC(=[NH2+])c1cc2c(cccc2O[C@H](COC(=O)Nc2ccc(F)cc2)c2ccccc2)s1 ZINC000045358258 563132820 /nfs/dbraw/zinc/13/28/20/563132820.db2.gz IOTRRXDZDXKPBV-HXUWFJFHSA-N 1 0 449.507 5.693 1 0 IKAFRO OC1(c2ccc(Cl)cc2)CC[NH+](CCC[C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000045357724 563132845 /nfs/dbraw/zinc/13/28/45/563132845.db2.gz WPYRUELVLZTLOD-AREMUKBSSA-N 1 0 437.986 6.375 1 0 IKAFRO CC1(C)CC(Nc2nc(Nc3cccc(F)c3)nc(-c3cccc(F)c3)n2)CC(C)(C)[NH2+]1 ZINC000045366373 563133054 /nfs/dbraw/zinc/13/30/54/563133054.db2.gz SQNZTRQGMIMBBZ-UHFFFAOYSA-N 1 0 438.526 5.282 1 0 IKAFRO C[N@H+]1[C@@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@H](OC(=O)c1ccccc1)c1ccccc1 ZINC000045368119 563133227 /nfs/dbraw/zinc/13/32/27/563133227.db2.gz UHWKQTIBICJKFH-PBWSGDRGSA-N 1 0 441.571 6.101 1 0 IKAFRO O[C@@H](C[NH2+]CCc1ccccc1)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000045384223 563133697 /nfs/dbraw/zinc/13/36/97/563133697.db2.gz HVQUFOSYNSVFOW-KRWDZBQOSA-N 1 0 428.376 5.138 1 0 IKAFRO CC[N@H+](CCCCCCN1C(=O)c2cccc3cccc(c32)C1=O)Cc1ccccc1OC ZINC000045497198 563134494 /nfs/dbraw/zinc/13/44/94/563134494.db2.gz DXPIHMLIHBJICH-UHFFFAOYSA-N 1 0 444.575 5.527 1 0 IKAFRO Cc1cc2cc(O)cc3oc(C[C@@]4(C)Cc5[nH+]c(C)cc6cc(O)cc(c65)O4)cc(n1)c23 ZINC000049019406 563135484 /nfs/dbraw/zinc/13/54/84/563135484.db2.gz QFASAGFSZZZDBJ-SANMLTNESA-N 1 0 426.472 5.494 1 0 IKAFRO CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000049020460 563135597 /nfs/dbraw/zinc/13/55/97/563135597.db2.gz FWROZMQRBMGKLZ-UHFFFAOYSA-N 1 0 448.632 5.431 1 0 IKAFRO CCCCCCNC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N@@H+](CCc3ccccc3)[C@@H]1N2C ZINC000049032741 563135832 /nfs/dbraw/zinc/13/58/32/563135832.db2.gz OXUOKFNDWUANFG-BDYUSTAISA-N 1 0 435.612 5.337 1 0 IKAFRO C[C@@H](OC[C@H](O)C[NH2+]C(C)(C)Cc1ccc2ccccc2c1)c1cccc2ccccc21 ZINC000049036086 563136381 /nfs/dbraw/zinc/13/63/81/563136381.db2.gz JUIIDRHWLOGTIP-QFQXNSOFSA-N 1 0 427.588 6.042 1 0 IKAFRO CCC[N@@H+](Cc1c(C(F)(F)F)nc2n1CCCN2c1c(C)cc(C)cc1C)CC1CC1 ZINC000049049870 563136779 /nfs/dbraw/zinc/13/67/79/563136779.db2.gz NECNAEMRXKFEII-UHFFFAOYSA-N 1 0 434.550 5.991 1 0 IKAFRO COc1ccccc1OCC[NH2+]C[C@@H]1CSC(c2ccccc2)(c2ccccc2)S1 ZINC000049053554 563137058 /nfs/dbraw/zinc/13/70/58/563137058.db2.gz FGBDGNKVRNLYDB-JOCHJYFZSA-N 1 0 437.630 5.414 1 0 IKAFRO O=C1Nc2ccccc2[C@]12[NH2+][C@H](c1ccccc1)[C@H](c1ccccc1)[C@]21CCCCCC1=O ZINC000049125283 563138908 /nfs/dbraw/zinc/13/89/08/563138908.db2.gz QKIBAWPZFYWVCL-MFACLRLHSA-N 1 0 436.555 5.482 1 0 IKAFRO [NH3+]CCCCCCCCCCCC(=O)Nc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000049781458 563139522 /nfs/dbraw/zinc/13/95/22/563139522.db2.gz MVUALRSRYHHUKP-UHFFFAOYSA-N 1 0 432.612 6.338 1 0 IKAFRO Cc1c(C[NH+]2CCCC2)cc(-c2ccc(F)cc2)n1Nc1ccnc2cc(Cl)ccc21 ZINC000058575428 563144874 /nfs/dbraw/zinc/14/48/74/563144874.db2.gz MHMTYYBTXYYSJV-UHFFFAOYSA-N 1 0 434.946 6.275 1 0 IKAFRO Cc1cc(N)nc(C[C@@H]2C[NH2+]C[C@@H]2OCc2ccc(-c3cccc(C(F)(F)F)c3)cc2)c1 ZINC000058592628 563145714 /nfs/dbraw/zinc/14/57/14/563145714.db2.gz TUMFAAOTAQZRGI-OFNKIYASSA-N 1 0 441.497 5.005 1 0 IKAFRO Cc1cc(N2CC[C@H]([N@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000059260213 563146443 /nfs/dbraw/zinc/14/64/43/563146443.db2.gz TXYHNJMNQMYNTO-KKSFZXQISA-N 1 0 447.410 6.009 1 0 IKAFRO [NH3+][C@H](Cc1ccccc1)c1csc(NC(=O)Nc2ccccc2Oc2ccccc2)n1 ZINC000061904053 563148100 /nfs/dbraw/zinc/14/81/00/563148100.db2.gz DSNAAQFTTVRGED-LJQANCHMSA-N 1 0 430.533 5.822 3 0 IKAFRO O=C(NCC1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1[N@@H+]2Cc1ccco1)c1cccnc1 ZINC000061921168 563149148 /nfs/dbraw/zinc/14/91/48/563149148.db2.gz PWRVCNPBEOILGA-RBJSKKJNSA-N 1 0 449.554 5.448 3 0 IKAFRO O[C@H]1C[C@H](c2ccccc2)[N@H+](CC2CCCCC2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000061923684 563149570 /nfs/dbraw/zinc/14/95/70/563149570.db2.gz USGPYAHFKCNNKD-ZNZIZOMTSA-N 1 0 434.559 5.014 3 0 IKAFRO Cc1ccc([C@H]2C[C@@H](n3cc(-c4ccc(F)cc4)nn3)[C@H](O)C[N@@H+]2Cc2cccs2)cc1 ZINC000061923967 563149638 /nfs/dbraw/zinc/14/96/38/563149638.db2.gz QDFZXRNGSGYASW-UBFVSLLYSA-N 1 0 448.567 5.003 3 0 IKAFRO COc1ccc(C[C@H]([NH3+])c2csc(NC(=O)Nc3ccccc3-c3ccccc3)n2)cc1 ZINC000061926868 563150054 /nfs/dbraw/zinc/15/00/54/563150054.db2.gz GFJCRDSTIDFPAZ-NRFANRHFSA-N 1 0 444.560 5.705 3 0 IKAFRO COc1ccccc1NC(=O)Nc1nc([C@@H]([NH3+])Cc2ccc(C(F)(F)F)cc2)cs1 ZINC000061928711 563150364 /nfs/dbraw/zinc/15/03/64/563150364.db2.gz PROCXDFOMMTKEW-AWEZNQCLSA-N 1 0 436.459 5.057 3 0 IKAFRO C[C@]1(Oc2cnc(Cl)c3ccccc23)CC[N@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC000061929965 563150555 /nfs/dbraw/zinc/15/05/55/563150555.db2.gz SXIDRLZLOWXGLJ-SANMLTNESA-N 1 0 429.951 5.994 3 0 IKAFRO COc1ccc2sc(-c3ccccc3OC)c(-c3ccc(OCC[NH+](C)C)cc3)c2c1 ZINC000061944880 563151070 /nfs/dbraw/zinc/15/10/70/563151070.db2.gz OHUYUZQKKZNYPY-UHFFFAOYSA-N 1 0 433.573 6.193 3 0 IKAFRO Oc1ccc(-c2nc3cc(O)ccc3n2Cc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000064245801 563152451 /nfs/dbraw/zinc/15/24/51/563152451.db2.gz IJADTDWJQKPPBP-UHFFFAOYSA-N 1 0 443.547 5.028 1 0 IKAFRO Oc1ccc(-c2nc3ccccc3n2Cc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000064264576 563152542 /nfs/dbraw/zinc/15/25/42/563152542.db2.gz MDJKJVUFUPBARW-UHFFFAOYSA-N 1 0 427.548 5.322 1 0 IKAFRO Cc1ccccc1Sc1c(C(=O)N2CC[NH2+]CC2)c2ccccc2n1-c1ccccc1 ZINC000064528317 563154790 /nfs/dbraw/zinc/15/47/90/563154790.db2.gz CINYCCNFMARISY-UHFFFAOYSA-N 1 0 427.573 5.136 1 0 IKAFRO CC[NH+](CC)CCCOc1ccccc2c(/C=C3\C(=O)Nc4ccc(F)cc43)cc(C)c1-2 ZINC000064549122 563155620 /nfs/dbraw/zinc/15/56/20/563155620.db2.gz FDSSIMWUNGQCAX-KQWNVCNZSA-N 1 0 432.539 5.842 1 0 IKAFRO O=C(/C=C\c1ccccc1O)N1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000064585920 563156458 /nfs/dbraw/zinc/15/64/58/563156458.db2.gz YBFQXLFAQSHLHX-KTKRTIGZSA-N 1 0 443.591 5.005 1 0 IKAFRO Cc1cccc(C(C)(C)C(=O)Nc2ccc(N3CCC([NH2+]CC4CC4)CC3)c(Cl)c2)c1 ZINC000064755086 563156764 /nfs/dbraw/zinc/15/67/64/563156764.db2.gz KJQFZAPPDIUPSB-UHFFFAOYSA-N 1 0 440.031 5.533 1 0 IKAFRO FC(F)(F)c1ccc(CN[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000066075338 563157400 /nfs/dbraw/zinc/15/74/00/563157400.db2.gz FKZGPBWOYWVDOZ-WOJBJXKFSA-N 1 0 430.436 5.915 1 0 IKAFRO O=C(Nc1ccccc1)N1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000066078835 563157869 /nfs/dbraw/zinc/15/78/69/563157869.db2.gz ALLOIZNAEJKHJW-UHFFFAOYSA-N 1 0 449.545 5.727 1 0 IKAFRO FC(F)(F)c1cccc(CN[C@@H]2CCCC[C@@H]2[NH2+]Cc2cccc(C(F)(F)F)c2)c1 ZINC000066097775 563158002 /nfs/dbraw/zinc/15/80/02/563158002.db2.gz LSCMYPHZDZQLEO-BGYRXZFFSA-N 1 0 430.436 5.915 1 0 IKAFRO COc1cccc(-c2c(OC)cc(N[C@@H](C)CCC[NH3+])c3nc(C(F)(F)F)cc(C)c32)c1 ZINC000066100439 563158170 /nfs/dbraw/zinc/15/81/70/563158170.db2.gz PLTHUKGRKMRLSR-HNNXBMFYSA-N 1 0 447.501 5.786 1 0 IKAFRO COc1ccccc1C[NH+]1CCC(CCC(=O)c2cc3ccn4c3c(c2)CCC4=O)CC1 ZINC000066101726 563158369 /nfs/dbraw/zinc/15/83/69/563158369.db2.gz OLTPXEYIHUWLFT-UHFFFAOYSA-N 1 0 430.548 5.111 1 0 IKAFRO CC(C)(C)OC(=O)NCCCCCCCCC[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000066112560 563159028 /nfs/dbraw/zinc/15/90/28/563159028.db2.gz UOUQAPCAEMPXEG-UHFFFAOYSA-N 1 0 445.692 5.539 1 0 IKAFRO CC(=O)c1cccc(NC(=O)Cc2c(C)nc(CC(C)C)c(C[NH3+])c2-c2ccc(C)cc2)c1 ZINC000066157142 563159710 /nfs/dbraw/zinc/15/97/10/563159710.db2.gz AXEIZPIWTDKUOF-UHFFFAOYSA-N 1 0 443.591 5.406 1 0 IKAFRO CC(C)C[NH2+][C@@H](CCc1ccccc1)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072102455 563162834 /nfs/dbraw/zinc/16/28/34/563162834.db2.gz CJJCPPODYVROJQ-VWLOTQADSA-N 1 0 431.624 6.175 1 0 IKAFRO Fc1ccc(N2CCC([NH2+][C@@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)cc1Cl ZINC000072103748 563162870 /nfs/dbraw/zinc/16/28/70/563162870.db2.gz OKJSCJFYUVMSEW-QHCPKHFHSA-N 1 0 448.344 6.015 1 0 IKAFRO Cc1ccc([C@@H]2C[C@@H](O)[C@H](n3cc(-c4ccc(F)cc4)nn3)C[N@@H+]2Cc2cccs2)cc1 ZINC000072142449 563164766 /nfs/dbraw/zinc/16/47/66/563164766.db2.gz MOOQRFHZJWKCHK-ISJGIBHGSA-N 1 0 448.567 5.003 1 0 IKAFRO Cc1ccc([C@@H]2C[C@H](O)[C@H](n3cc(-c4ccc(F)cc4)nn3)C[N@@H+]2Cc2cccs2)cc1 ZINC000072142445 563164830 /nfs/dbraw/zinc/16/48/30/563164830.db2.gz MOOQRFHZJWKCHK-GVAUOCQISA-N 1 0 448.567 5.003 1 0 IKAFRO CC(C)(C)OC(=O)NC1CC[NH+]([C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072142890 563164874 /nfs/dbraw/zinc/16/48/74/563164874.db2.gz GUGSPZGZKPVEFS-FQEVSTJZSA-N 1 0 435.490 5.179 1 0 IKAFRO CCC[N@@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)CSc2ccccc2)c1-3 ZINC000072176171 563165591 /nfs/dbraw/zinc/16/55/91/563165591.db2.gz LSKSSWIRNDMQHX-HSZRJFAPSA-N 1 0 429.585 5.917 1 0 IKAFRO O=C(N[C@H](c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1)c1ccc2cnc(F)cc2c1 ZINC000072178716 563166267 /nfs/dbraw/zinc/16/62/67/563166267.db2.gz QFMBYPBOVSGXGC-NRFANRHFSA-N 1 0 432.326 5.151 1 0 IKAFRO COc1ccc(C[NH+]2CCC(N[C@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)cc1 ZINC000072184447 563167766 /nfs/dbraw/zinc/16/77/66/563167766.db2.gz HCMGEKZAVMNLPW-RUZDIDTESA-N 1 0 439.962 5.226 1 0 IKAFRO FC(F)(F)c1ccc(N2CCC([NH2+][C@H](c3ccc(Cl)cc3)c3cccnc3)CC2)cc1 ZINC000072185951 563168176 /nfs/dbraw/zinc/16/81/76/563168176.db2.gz NCYSELBGNKFHAG-HSZRJFAPSA-N 1 0 445.916 6.102 1 0 IKAFRO Fc1ccc(N2CCC([NH2+][C@@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)cc1F ZINC000072185965 563168173 /nfs/dbraw/zinc/16/81/73/563168173.db2.gz SJKVFHRZIIRNIE-QHCPKHFHSA-N 1 0 431.889 5.500 1 0 IKAFRO Cn1nc(-c2ccc(F)cc2)cc1C1(c2ccccn2)CC[NH+](CCc2ccccc2)CC1 ZINC000072317990 563168420 /nfs/dbraw/zinc/16/84/20/563168420.db2.gz KJFTYICXBUEONK-UHFFFAOYSA-N 1 0 440.566 5.246 1 0 IKAFRO Cc1cc([C@H](NC(=O)CC[NH+]2CCC(c3ccccc3)CC2)c2ccc(Cl)cc2)ccn1 ZINC000073163728 563169597 /nfs/dbraw/zinc/16/95/97/563169597.db2.gz NBCDNJZNVVYLHH-HHHXNRCGSA-N 1 0 448.010 5.519 1 0 IKAFRO COc1cc(OC)cc(-c2cccc(Cc3cn(Cc4cc(F)cc(F)c4)c(N)[nH+]3)c2)c1 ZINC000073219328 563170433 /nfs/dbraw/zinc/17/04/33/563170433.db2.gz SLRVECCOWGOFDM-UHFFFAOYSA-N 1 0 435.474 5.067 1 0 IKAFRO C[C@@H](c1ccc(-c2ccccc2)cc1)[C@H]([NH3+])C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000073223578 563170900 /nfs/dbraw/zinc/17/09/00/563170900.db2.gz SYJKZXQWLHDTBT-RXYZOABWSA-N 1 0 446.900 5.858 1 0 IKAFRO C[C@](NC(=O)CC[NH+]1CCC(c2ccccc2)CC1)(c1ccncc1)c1ccc(Cl)cc1 ZINC000073224997 563171189 /nfs/dbraw/zinc/17/11/89/563171189.db2.gz ZYPYRTNKOSHLCU-HHHXNRCGSA-N 1 0 448.010 5.384 1 0 IKAFRO FC(F)(F)Oc1ccc(C[NH+]2CCC3(CC2)O[C@@H](c2ccccn2)c2ccccc23)cc1 ZINC000073276002 563171665 /nfs/dbraw/zinc/17/16/65/563171665.db2.gz JAPIDKMATJUVAF-HSZRJFAPSA-N 1 0 440.465 5.591 1 0 IKAFRO Fc1ccc(C[NH+]2CCC3(CC2)O[C@@H](c2cc(Cl)cc(Cl)c2)c2ccccc23)nc1 ZINC000073292529 563171908 /nfs/dbraw/zinc/17/19/08/563171908.db2.gz LYFUBTNYDVCHTK-QHCPKHFHSA-N 1 0 443.349 6.138 1 0 IKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2nccc(C)c2c1Oc1ccc(C(F)(F)F)cc1 ZINC000082150933 563173102 /nfs/dbraw/zinc/17/31/02/563173102.db2.gz VPUIXYNTJOAIDX-HNNXBMFYSA-N 1 0 433.474 5.902 1 0 IKAFRO O=C(c1c2ccc(Cl)cc2n(-c2ccccc2)c1Oc1ccccc1)N1CC[NH2+]CC1 ZINC000082156502 563173669 /nfs/dbraw/zinc/17/36/69/563173669.db2.gz FLAUMSZPBBJDBC-UHFFFAOYSA-N 1 0 431.923 5.122 1 0 IKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2nccc(C)c2c1Oc1cccc(Br)c1 ZINC000082157072 563173746 /nfs/dbraw/zinc/17/37/46/563173746.db2.gz MHWMMARRJHYDIB-OAHLLOKOSA-N 1 0 444.373 5.646 1 0 IKAFRO COc1ccc2nccc([C@@H](O)[C@H]3C[C@H]4CC[N@@H+]3C[C@@H]4/C=C/c3ccc(Cl)cc3)c2c1 ZINC000084618773 563174553 /nfs/dbraw/zinc/17/45/53/563174553.db2.gz AQWSOUCJVNQMLC-OVQBCTISSA-N 1 0 434.967 5.354 1 0 IKAFRO Cc1c(NC(=O)c2ccc(-c3ccc(F)cc3)cc2)ccc2cc(C[NH+]3CCCC3)cnc21 ZINC000084652328 563174882 /nfs/dbraw/zinc/17/48/82/563174882.db2.gz BSQRGMOOEUYKJQ-UHFFFAOYSA-N 1 0 439.534 6.197 1 0 IKAFRO O=C(N[C@H]1CC[C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]21)C(C1CCCCC1)C1CCCCC1 ZINC000084652302 563174940 /nfs/dbraw/zinc/17/49/40/563174940.db2.gz FPCPPSFMBBGBTO-DMDYGQEQSA-N 1 0 440.647 5.929 1 0 IKAFRO CC[NH+](CC)CCNc1nc2cc(Nc3ccnc4cc(Cl)ccc43)ccc2s1 ZINC000084672133 563175453 /nfs/dbraw/zinc/17/54/53/563175453.db2.gz KHJMXBPTQGUCBA-UHFFFAOYSA-N 1 0 425.989 5.995 1 0 IKAFRO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](C[C@@H](O)CSc1ccc(C)cc1)CC2 ZINC000084671922 563175503 /nfs/dbraw/zinc/17/55/03/563175503.db2.gz SPLBZGDAJILIPX-AMGIVPHBSA-N 1 0 449.616 5.113 1 0 IKAFRO C[N@H+](CCOc1cccc(-c2ccc(C(=O)N3CCCC3)cc2)c1)Cc1ccc(F)cc1 ZINC000084687971 563175997 /nfs/dbraw/zinc/17/59/97/563175997.db2.gz VVRDULYAPGDIDZ-UHFFFAOYSA-N 1 0 432.539 5.240 1 0 IKAFRO NCC[NH2+][C@H](CSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc21 ZINC000084688887 563176124 /nfs/dbraw/zinc/17/61/24/563176124.db2.gz GGZZZDGZFLLSDQ-QFIPXVFZSA-N 1 0 425.601 5.657 1 0 IKAFRO C[NH+]1CCC(Oc2ccc3cc(-c4ccc(Oc5ccccc5)cc4)c(=O)oc3c2)CC1 ZINC000084725730 563178112 /nfs/dbraw/zinc/17/81/12/563178112.db2.gz FTGWZTPEMKJINV-UHFFFAOYSA-N 1 0 427.500 5.725 1 0 IKAFRO Clc1cccc(N2CC[NH+](CCCCOc3ccc4scnc4c3)CC2)c1Cl ZINC000095553695 563181020 /nfs/dbraw/zinc/18/10/20/563181020.db2.gz JBKITGSPOFFGJB-UHFFFAOYSA-N 1 0 436.408 5.584 1 0 IKAFRO COc1ccc(C[NH2+]C[C@H](C)[C@H]2CCC3=Cc4c(cc(C)oc4=O)O[C@H]3C2)c2ccccc12 ZINC000095554774 563181176 /nfs/dbraw/zinc/18/11/76/563181176.db2.gz ZJLLGGHESOCIEU-IAKTWSEQSA-N 1 0 445.559 5.480 1 0 IKAFRO c1ccc([C@@H](c2ccc(CCC[NH+]3CCCCC3)cc2)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000095559363 563181996 /nfs/dbraw/zinc/18/19/96/563181996.db2.gz REMBWHNPACHZFU-ONWBCECJSA-N 1 0 427.676 7.453 1 0 IKAFRO Fc1ccc(-c2nc(CNc3ccnc4cc(Cl)ccc43)[nH]c2C[NH+]2CCCC2)cc1 ZINC000095560762 563182282 /nfs/dbraw/zinc/18/22/82/563182282.db2.gz BNKVHZDUABEEIG-UHFFFAOYSA-N 1 0 435.934 5.625 1 0 IKAFRO COc1cc2cc(-c3cccc(-c4ccc(C(C)(C)C)cc4)c3)[n+](C)c(C)c2cc1OC ZINC000095560988 563182335 /nfs/dbraw/zinc/18/23/35/563182335.db2.gz MUGLYAZMLZAZFB-UHFFFAOYSA-N 1 0 426.580 6.621 1 0 IKAFRO CC[NH+]1CCN(Cc2ccc([C@@H](c3ccccc3)C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000095562712 563182740 /nfs/dbraw/zinc/18/27/40/563182740.db2.gz GOBMXPRHAMNLFG-PHPBTLJDSA-N 1 0 428.664 6.172 1 0 IKAFRO Cc1ccc(-c2nc(CNc3ccnc4cc(Cl)ccc43)[nH]c2C[NH+]2CCCC2)cc1 ZINC000095563581 563182915 /nfs/dbraw/zinc/18/29/15/563182915.db2.gz JAUGTAROYGYPER-UHFFFAOYSA-N 1 0 431.971 5.795 1 0 IKAFRO COc1ccccc1OCCC[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000095565783 563183401 /nfs/dbraw/zinc/18/34/01/563183401.db2.gz ZHBSYSBUJUDYGI-UHFFFAOYSA-N 1 0 431.576 5.112 3 0 IKAFRO Nc1nc(Nc2ccc3[nH+]c(-c4ccc(F)cc4)cc(N)c3c2)cc(-c2ccc(F)cc2)n1 ZINC000095572418 563184754 /nfs/dbraw/zinc/18/47/54/563184754.db2.gz OOOOGFQWDZNDSN-UHFFFAOYSA-N 1 0 440.457 5.545 1 0 IKAFRO O=C(c1sc2ccccc2c1Cl)N(Cc1ccnc2ccccc12)C1CC[NH2+]CC1 ZINC000095577369 563186282 /nfs/dbraw/zinc/18/62/82/563186282.db2.gz FBEYSZDARNCZBM-UHFFFAOYSA-N 1 0 435.980 5.497 1 0 IKAFRO Cc1ccc(CCOCCCc2cccc(CCCOCCc3ccc(C)cc3)[n+]2C)cc1 ZINC000095581622 563187656 /nfs/dbraw/zinc/18/76/56/563187656.db2.gz CKCOFHYCXMELMP-UHFFFAOYSA-N 1 0 446.655 5.512 1 0 IKAFRO CC(C)CCOc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](C1CC[NH+](Cc3ccccc3)CC1)N2 ZINC000095590888 563190181 /nfs/dbraw/zinc/19/01/81/563190181.db2.gz AUOHBTZZTVQXDJ-OYFGVDPJSA-N 1 0 448.651 6.286 1 0 IKAFRO COc1cc2c(c(OCCC[NH+](C)C)c1)[C@H](c1ccccc1)[C@@H](c1ccccc1)C2(C)C ZINC000095605835 563194141 /nfs/dbraw/zinc/19/41/41/563194141.db2.gz ITYJXAGVHFOIEQ-XTEPFMGCSA-N 1 0 429.604 6.233 1 0 IKAFRO Cc1cc2c(cccc2OC[C@@H](O)C[N@H+]2CC[C@@H](c3cccc4ccsc43)C[C@@H]2C)[nH]1 ZINC000095607328 563194152 /nfs/dbraw/zinc/19/41/52/563194152.db2.gz UUKAZYSPDRJOMA-TYPHKJRUSA-N 1 0 434.605 5.699 1 0 IKAFRO COc1cc(C(F)F)ccc1-c1cccn2nc(Nc3ccc(C4CC[NH2+]CC4)cc3)nc12 ZINC000096169843 563195481 /nfs/dbraw/zinc/19/54/81/563195481.db2.gz RRWVYIHUQNHZRJ-UHFFFAOYSA-N 1 0 449.505 5.553 1 0 IKAFRO OC1CC[NH+](CCc2ccc(Nc3nc(-c4ccc5ccccc5c4)cs3)cc2)CC1 ZINC000096273992 563196959 /nfs/dbraw/zinc/19/69/59/563196959.db2.gz HCYWXXMJYDZKIG-UHFFFAOYSA-N 1 0 429.589 5.706 1 0 IKAFRO COC[C@H]1CCC[N@@H+]1CCc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000096273983 563196988 /nfs/dbraw/zinc/19/69/88/563196988.db2.gz IGRKNTYOIZKCPI-RUZDIDTESA-N 1 0 443.616 6.360 1 0 IKAFRO Cc1cc(NC(=O)c2cc(Cl)cc(Cl)c2)ccc1N1CC[C@@H]([N@H+]2CCC[C@@H]2C)C1 ZINC000096929245 563198443 /nfs/dbraw/zinc/19/84/43/563198443.db2.gz KHNWVNJDETVWJR-HRAATJIYSA-N 1 0 432.395 5.617 1 0 IKAFRO Cc1cc(N2CC[C@H]([N@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccc(-c2ccccn2)cc1 ZINC000096929256 563198524 /nfs/dbraw/zinc/19/85/24/563198524.db2.gz AOYJPGTZUIDPNV-OFVILXPXSA-N 1 0 440.591 5.372 1 0 IKAFRO C[C@@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(NC(=O)c3cccc(F)c3)c(C(F)(F)F)c2)C1 ZINC000096929278 563198546 /nfs/dbraw/zinc/19/85/46/563198546.db2.gz VGDNPABLRMYRRR-DNVCBOLYSA-N 1 0 435.465 5.160 1 0 IKAFRO C[C@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(NC(=O)c3cccc(F)c3)c(C(F)(F)F)c2)C1 ZINC000096929279 563198587 /nfs/dbraw/zinc/19/85/87/563198587.db2.gz VGDNPABLRMYRRR-HNAYVOBHSA-N 1 0 435.465 5.160 1 0 IKAFRO Clc1ccc2c(c1)n(CC[NH+]1CCCC1)cc/c2=N\c1ccc(-c2ccccc2)cc1 ZINC000096931934 563198791 /nfs/dbraw/zinc/19/87/91/563198791.db2.gz FFGZMENTXSUMBI-PBBVDAKRSA-N 1 0 427.979 6.290 1 0 IKAFRO CC[NH+](CC)CCn1cc/c(=N\c2ccc(-c3ccccc3)cc2)c2ccc(Cl)cc21 ZINC000096931932 563198824 /nfs/dbraw/zinc/19/88/24/563198824.db2.gz RMZZRYQAJOEZOV-PBBVDAKRSA-N 1 0 429.995 6.536 1 0 IKAFRO CC[NH+](CC)CCCn1cc/c(=N\c2ccc(-c3ccccc3)cc2)c2ccc(Cl)cc21 ZINC000096933053 563199004 /nfs/dbraw/zinc/19/90/04/563199004.db2.gz PFXVXWVJCCSXGB-KDJFERLWSA-N 1 0 444.022 6.926 1 0 IKAFRO C[NH+](C)CCOc1ccc(C(C)(C)C)cc1[C@@]1(c2ccccc2)c2ccccc2NC1=O ZINC000096937525 563199552 /nfs/dbraw/zinc/19/95/52/563199552.db2.gz ONFHKJAAGMXMDK-MUUNZHRXSA-N 1 0 428.576 5.211 1 0 IKAFRO Clc1ccc(CSc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)cc1 ZINC000096939322 563199998 /nfs/dbraw/zinc/19/99/98/563199998.db2.gz DJLNAXNUIZWBJQ-UHFFFAOYSA-N 1 0 439.088 8.214 1 0 IKAFRO CC(C)[NH+](C[C@@H](O)COc1cccc(C(=O)CCc2cccc3ccccc32)c1)C(C)C ZINC000096941829 563200393 /nfs/dbraw/zinc/20/03/93/563200393.db2.gz GOIGIMYQZMUGKP-RUZDIDTESA-N 1 0 433.592 5.514 1 0 IKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(O)c3)O2)[C@@H]2C(C)=CC(C)(C)[NH2+][C@H]2C=C1 ZINC000087666890 581097603 /nfs/dbraw/zinc/09/76/03/581097603.db2.gz ATJGOPJRRWGHHL-JRQRZOSUSA-N 1 0 429.516 5.176 1 0 IKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(C)c3)O2)[C@@H]2C(C)=CC(C)(C)[NH2+][C@@H]2C=C1 ZINC000089780971 581099597 /nfs/dbraw/zinc/09/95/97/581099597.db2.gz OSRXVTVKOPCOGY-AMARHBDRSA-N 1 0 427.544 5.779 1 0 IKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(C)n3)O2)[C@@H]2C(C)=CC(C)(C)[NH2+][C@@H]2C=C1 ZINC000028823568 581100668 /nfs/dbraw/zinc/10/06/68/581100668.db2.gz UBFYPBCQTPHSMF-RSDOOSOZSA-N 1 0 428.532 5.174 1 0 IKAFRO CC(=O)CCCCCCCCCCCC[C@H]1CC[C@@H](OC(=O)OC(C)(C)C)[C@@H](C)[NH2+]1 ZINC000038217213 291395665 /nfs/dbraw/zinc/39/56/65/291395665.db2.gz HGUBSUVMPCCXIF-XPWALMASSA-N 1 0 425.654 6.717 1 0 biogenic,in-vitro IKAFRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000028647165 132226047 /nfs/dbraw/zinc/22/60/47/132226047.db2.gz AWAIIWFYQQLHOS-UHFFFAOYSA-N 1 0 426.775 5.188 1 0 IKAFRO CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)C[n+]1c2ccccc2n(C)c1-c1ccc(Cl)cc1 ZINC000012385087 519825874 /nfs/dbraw/zinc/82/58/74/519825874.db2.gz LHBLJDHSSGIEFY-VNZMSGEBSA-N 1 0 440.007 5.790 1 0 IKAFRO O=C1C2[C@@H](c3ccccc3)N[C@H](c3ccccc3)C1[C@@H](c1ccccc1)[NH2+][C@@H]2c1ccccc1 ZINC000012470925 526959126 /nfs/dbraw/zinc/95/91/26/526959126.db2.gz ITTQAMYBEGYMAS-SVSGTKJJSA-N 1 0 444.578 5.960 1 0 IKAFRO O[C@@]1(C(F)(F)F)C2=C(CC[C@@H](c3ccccc3)C2)[NH2+]N1c1nc(-c2ccccc2)cs1 ZINC000035999482 527681428 /nfs/dbraw/zinc/68/14/28/527681428.db2.gz YEJCZMYYHNDOTN-JBYIUTFZSA-N 1 0 443.494 5.821 2 0 IKAFRO CC[C@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(c1nc(-c3ccc(OC)cc3)cs1)[NH2+]2 ZINC000016957503 557475962 /nfs/dbraw/zinc/47/59/62/557475962.db2.gz VJMQHCUMDADTEK-IOHHAYIISA-N 1 0 425.476 5.072 2 0 IKAFRO C[C@H]([C@H]1CC[C@H](C)C[N@@H+]1C)[C@@H]1C=C[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@]2(C)C1 ZINC000095910562 560058569 /nfs/dbraw/zinc/05/85/69/560058569.db2.gz WMVFFRXSRDHDPV-RYUNACSRSA-N 1 0 429.689 5.119 1 0 biogenic,in-vitro IKAFRO COc1cccc2c1c(OC)cc(OC)c2-c1c(O)cc2c(c1OC)[C@@H](C)[N@@H+](C)[C@H](C)C2 ZINC000095486166 560061705 /nfs/dbraw/zinc/06/17/05/560061705.db2.gz QRFJNFHGJBCPFB-HUUCEWRRSA-N 1 0 437.536 5.184 1 0 biogenic,in-vitro IKAFRO CCCC[C@H]1CCc2cc(O)cc3c(CC[NH+]4CCN(c5cc(C)ccn5)CC4)c(C)n1c32 ZINC000001539350 562922664 /nfs/dbraw/zinc/92/26/64/562922664.db2.gz GLTHSRFPHHLMIW-QHCPKHFHSA-N 1 0 446.639 5.401 1 0 IKAFRO Oc1ccc2c(c1)CC[C@@H](c1ccccc1)N2Cc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000001553960 562922941 /nfs/dbraw/zinc/92/29/41/562922941.db2.gz OQJYJENHHOZHPV-NDEPHWFRSA-N 1 0 442.603 5.951 1 0 IKAFRO COc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000001659084 562924210 /nfs/dbraw/zinc/92/42/10/562924210.db2.gz NYJQZRBPKNCCPF-AVRDEDQJSA-N 1 0 443.513 5.995 1 0 IKAFRO COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1)[C@H]2c1ccc(OCC[NH+](C)C)cc1 ZINC000002021430 562925637 /nfs/dbraw/zinc/92/56/37/562925637.db2.gz IORHSRGNDIZONT-SVBPBHIXSA-N 1 0 431.576 5.722 1 0 IKAFRO O[C@@H](C[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000002651794 562929308 /nfs/dbraw/zinc/92/93/08/562929308.db2.gz DHVLQBMFWWTSRF-YKSBVNFPSA-N 1 0 425.359 5.930 3 0 IKAFRO O[C@H](C[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000002651793 562929311 /nfs/dbraw/zinc/92/93/11/562929311.db2.gz DHVLQBMFWWTSRF-HYBUGGRVSA-N 1 0 425.359 5.930 3 0 IKAFRO O[C@@H](C[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000002651792 562929326 /nfs/dbraw/zinc/92/93/26/562929326.db2.gz DHVLQBMFWWTSRF-RDPSFJRHSA-N 1 0 425.359 5.930 3 0 IKAFRO CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2cccc(C[NH+](C)C)c2)CCCC1 ZINC000003788648 562937854 /nfs/dbraw/zinc/93/78/54/562937854.db2.gz CAFXWIACTUBFTP-UHFFFAOYSA-N 1 0 435.656 6.629 1 0 IKAFRO CCOCCn1c2ccccc2nc1C1CC[NH+](CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000003800366 562938205 /nfs/dbraw/zinc/93/82/05/562938205.db2.gz NPWTVYBPSXCRPM-UHFFFAOYSA-N 1 0 433.640 5.792 1 0 in-man IKAFRO Fc1ccc(CC2CC[NH+](CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000003799263 562938226 /nfs/dbraw/zinc/93/82/26/562938226.db2.gz OJNZZWUICYZZJQ-UHFFFAOYSA-N 1 0 437.549 6.971 1 0 IKAFRO O=C(c1cccc(F)c1)N1CCC2(CC1)CC[NH+](C(c1ccccc1)c1ccccc1)CC2 ZINC000003955750 562939879 /nfs/dbraw/zinc/93/98/79/562939879.db2.gz ASOJESYMFXYNJS-UHFFFAOYSA-N 1 0 442.578 5.934 1 0 IKAFRO O[C@@H](c1cc([C@]23C[C@@H]4C[C@H]2CC[C@@H](C4)C3)nc2c(Cl)cc(Cl)cc12)[C@@H]1CCCC[NH2+]1 ZINC000003954546 562939896 /nfs/dbraw/zinc/93/98/96/562939896.db2.gz KSGMKNOHFWUIIV-MFCANEBTSA-N 1 0 445.434 6.185 1 0 IKAFRO COC(=O)N1CCC2(CC1)CC[NH+](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 ZINC000003956121 562939993 /nfs/dbraw/zinc/93/99/93/562939993.db2.gz HITALGHPEFMLAD-UHFFFAOYSA-N 1 0 438.412 5.169 1 0 IKAFRO COc1ccc2c(c1)CC[C@@H]([NH2+]CCc1ccc(OC)c(OC)c1)[C@H]2Cc1ccccc1 ZINC000003974728 562940289 /nfs/dbraw/zinc/94/02/89/562940289.db2.gz GDPUSTXHHZCBIA-IZZNHLLZSA-N 1 0 431.576 5.186 1 0 IKAFRO Oc1ccc([C@H]2CCc3cc(O)ccc3N2Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000003988481 562940483 /nfs/dbraw/zinc/94/04/83/562940483.db2.gz GDUBWKFFFZPKRD-HHHXNRCGSA-N 1 0 444.575 5.267 1 0 IKAFRO COc1cccc2sc(C3CC[NH+](C[C@H](O)COc4cccc5[nH]ccc54)CC3)cc21 ZINC000003991708 562940511 /nfs/dbraw/zinc/94/05/11/562940511.db2.gz XTXWKNNMEGRBTM-SFHVURJKSA-N 1 0 436.577 5.011 1 0 IKAFRO Cc1noc(C)c1C(=O)N1CCC[C@@]2(CC[N@@H+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC000004238184 562942757 /nfs/dbraw/zinc/94/27/57/562942757.db2.gz PEEVAEAMTYNBSS-MHZLTWQESA-N 1 0 429.564 5.009 1 0 IKAFRO O=C(c1cccc(F)c1)N1CCC[C@@]2(CC[N@@H+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC000004238119 562942784 /nfs/dbraw/zinc/94/27/84/562942784.db2.gz QAWTZUXFYCOZPT-NDEPHWFRSA-N 1 0 428.551 5.543 1 0 IKAFRO C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC[NH+]5CCCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000005845011 562945112 /nfs/dbraw/zinc/94/51/12/562945112.db2.gz RGCPGGMPBRETQV-OVUZCHQJSA-N 1 0 428.661 5.559 1 0 IKAFRO CC[NH+](CC)CCCN(C(=O)c1cccc(C)c1)c1nc(-c2ccc(OC)cc2)cs1 ZINC000006511306 562947052 /nfs/dbraw/zinc/94/70/52/562947052.db2.gz KIDRJVCZNQDOOB-UHFFFAOYSA-N 1 0 437.609 5.506 3 0 IKAFRO CCCCNc1nc(C)nc2c1nc(-c1ccccc1)n2[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000008017502 562948854 /nfs/dbraw/zinc/94/88/54/562948854.db2.gz QPQYNQCQOPMGRJ-QHCPKHFHSA-N 1 0 440.595 5.461 1 0 IKAFRO c1ccc([C@@H]2[C@H]3C[N@@H+](CC4CCCCC4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cc1 ZINC000008585826 562950064 /nfs/dbraw/zinc/95/00/64/562950064.db2.gz PMQVAONUMYVHIH-ALQBRSPBSA-N 1 0 448.654 7.150 3 0 IKAFRO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1cc2ccc3cccnc3c2[nH]1 ZINC000008596204 562953800 /nfs/dbraw/zinc/95/38/00/562953800.db2.gz AEZVBDWIFVHXSG-UHFFFAOYSA-N 1 0 432.955 5.012 1 0 IKAFRO O=C(c1cc2cc(F)ccc2[nH]1)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000011936853 562979881 /nfs/dbraw/zinc/97/98/81/562979881.db2.gz WIVRTFMZHXNYOT-NRFANRHFSA-N 1 0 448.586 5.389 3 0 IKAFRO COc1cc2[nH]c(-c3ccc4c(c3)[C@@H]([NH+]3CCCC3)CC4)cc(=O)c2cc1-c1cnco1 ZINC000012354296 562981237 /nfs/dbraw/zinc/98/12/37/562981237.db2.gz YVHDANBJKFBIKP-QHCPKHFHSA-N 1 0 427.504 5.354 1 0 IKAFRO Oc1ccc2c(c1)S[C@H](c1cccnc1)[C@H](c1ccc(OCC[NH+]3CCCCC3)cc1)O2 ZINC000012353894 562981265 /nfs/dbraw/zinc/98/12/65/562981265.db2.gz ZVGTXIRTLQSZBT-IZZNHLLZSA-N 1 0 448.588 5.619 1 0 IKAFRO c1c(-c2ccccc2)noc1N(CC[NH+]1CCCCCC1)Cc1cccc2ccccc21 ZINC000013437461 562986046 /nfs/dbraw/zinc/98/60/46/562986046.db2.gz GMRQAUVTYOZORS-UHFFFAOYSA-N 1 0 425.576 6.377 1 0 IKAFRO Cc1ccccc1-c1cc(N(CCC[NH+]2CCCCCC2)Cc2ccc3c(c2)OCO3)on1 ZINC000013437474 562986060 /nfs/dbraw/zinc/98/60/60/562986060.db2.gz IYBHMYBSVXWMHT-UHFFFAOYSA-N 1 0 447.579 5.651 1 0 IKAFRO COc1cccc(NC(=O)N2CCC[C@@H](C[NH+]3CCC(Cc4ccc(F)cc4)CC3)C2)c1 ZINC000013443589 562986668 /nfs/dbraw/zinc/98/66/68/562986668.db2.gz ONWGMJQANDWQQF-QFIPXVFZSA-N 1 0 439.575 5.033 1 0 IKAFRO C[C@H](CCC(=[NH2+])N(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000013447474 562987064 /nfs/dbraw/zinc/98/70/64/562987064.db2.gz AOINZSOFZHURHQ-WJCUAGRGSA-N 1 0 442.732 7.052 1 0 IKAFRO CCC[C@H]1C(=O)N(CC[NH+](C)C)c2cccc(C(F)(F)F)c2C[C@H]1c1ccc(OC)cc1 ZINC000013450685 562987293 /nfs/dbraw/zinc/98/72/93/562987293.db2.gz WLTFNEFMVYNRKT-UXHICEINSA-N 1 0 448.529 5.365 1 0 IKAFRO CCC[C@H]1C(=O)N(CC[NH+](C)C)c2ccc(C(F)(F)F)cc2C[C@H]1c1ccc(OC)cc1 ZINC000013450699 562987299 /nfs/dbraw/zinc/98/72/99/562987299.db2.gz VBCISBNDKAJMHX-YADHBBJMSA-N 1 0 448.529 5.365 1 0 IKAFRO CC(C)(C)[NH2+]CCCOc1ccc(S(=O)(=O)c2c(C(C)(C)C)cn3ccccc23)cc1 ZINC000013451549 562987411 /nfs/dbraw/zinc/98/74/11/562987411.db2.gz ZPITZJXIHHBGRL-UHFFFAOYSA-N 1 0 442.625 5.227 1 0 IKAFRO Oc1ccc2c3c(ccc2c1)-c1ccccc1[C@@H]3c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000013451379 562987466 /nfs/dbraw/zinc/98/74/66/562987466.db2.gz QQZQFFQHCZSFNV-LJAQVGFWSA-N 1 0 435.567 6.571 1 0 IKAFRO Cc1c(=O)c2cc(OCCCCCC[NH+]3CCC(O)CC3)ccc2oc1C1CCCCC1 ZINC000013454452 562987612 /nfs/dbraw/zinc/98/76/12/562987612.db2.gz MJJLENAWKXKSDR-UHFFFAOYSA-N 1 0 441.612 5.545 1 0 IKAFRO COc1cc2c(cc1OCCC[NH+]1CCCC1)ncnc2Nc1ccc(Cl)cc1F ZINC000013472783 562988001 /nfs/dbraw/zinc/98/80/01/562988001.db2.gz KQVFLNYZDGJFNM-UHFFFAOYSA-N 1 0 430.911 5.039 1 0 IKAFRO CC(=O)c1ccc2c3c1CCC[C@]3(CCCC[N@H+]1CC=C(c3ccccc3)CC1)C(=O)N2 ZINC000013473716 562988409 /nfs/dbraw/zinc/98/84/09/562988409.db2.gz CUBVIRNGTGDSLI-NDEPHWFRSA-N 1 0 428.576 5.375 1 0 IKAFRO CC(=O)c1ccc2c3c1CCC[C@@]3(CCCC[N@H+]1CC=C(c3ccccc3)CC1)C(=O)N2 ZINC000013473717 562988424 /nfs/dbraw/zinc/98/84/24/562988424.db2.gz CUBVIRNGTGDSLI-MUUNZHRXSA-N 1 0 428.576 5.375 1 0 IKAFRO COc1cccc(NC(=O)Nc2ccccc2CC[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000013475756 562988986 /nfs/dbraw/zinc/98/89/86/562988986.db2.gz RAAYIXGRKXEPIO-UHFFFAOYSA-N 1 0 443.591 5.836 1 0 IKAFRO O=C(Nc1ccccc1)Nc1cccc([C@@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000013475778 562988988 /nfs/dbraw/zinc/98/89/88/562988988.db2.gz OBHVQSQUOOYRGT-SANMLTNESA-N 1 0 429.564 5.319 1 0 IKAFRO CCOc1c(C)cc(Br)cc1C[NH2+]CCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487785 562989621 /nfs/dbraw/zinc/98/96/21/562989621.db2.gz OVUDXTNLEILHLP-UHFFFAOYSA-N 1 0 444.373 5.002 1 0 IKAFRO COc1ccc2sc(C3CC[NH+](C[C@H](O)COc4cccc5[nH]ccc54)CC3)cc2c1 ZINC000013490078 562990139 /nfs/dbraw/zinc/99/01/39/562990139.db2.gz YAZWLBWHFMOCPB-IBGZPJMESA-N 1 0 436.577 5.011 1 0 IKAFRO CCOc1cc2nc(CC[NH3+])nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC ZINC000013490835 562990261 /nfs/dbraw/zinc/99/02/61/562990261.db2.gz RYEPNRLVIGUAKF-UHFFFAOYSA-N 1 0 449.580 5.104 1 0 IKAFRO Cc1ccc(C[NH+]2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000013494207 562990956 /nfs/dbraw/zinc/99/09/56/562990956.db2.gz PGLBUHJZLUHDNP-UHFFFAOYSA-N 1 0 435.558 6.682 1 0 IKAFRO C[C@@]1(c2ccc(OCC[NH+]3CCCC3)cc2)c2ccc(O)cc2CCN1c1ccc(F)cc1 ZINC000013523308 562991426 /nfs/dbraw/zinc/99/14/26/562991426.db2.gz XAAZIBLMLWLEJF-MUUNZHRXSA-N 1 0 446.566 5.332 1 0 IKAFRO C[C@]1(c2ccc(OCC[NH+]3CCCC3)cc2)c2ccc(O)cc2CCN1c1ccccc1 ZINC000013523263 562991449 /nfs/dbraw/zinc/99/14/49/562991449.db2.gz KGQWKZWULKLXAQ-NDEPHWFRSA-N 1 0 428.576 5.193 1 0 IKAFRO C[C@]1(c2ccc(OCC[NH+]3CCCC3)cc2)c2ccc(O)cc2CCN1c1cccc(F)c1 ZINC000013523364 562991455 /nfs/dbraw/zinc/99/14/55/562991455.db2.gz HNSLZGRIZCCKHZ-NDEPHWFRSA-N 1 0 446.566 5.332 1 0 IKAFRO C[C@@]1(c2ccc(OCC[NH+]3CCCCC3)cc2)c2ccc(O)cc2CCN1c1ccccc1 ZINC000013523277 562991465 /nfs/dbraw/zinc/99/14/65/562991465.db2.gz AIFWSSWVFCKBHO-GDLZYMKVSA-N 1 0 442.603 5.583 1 0 IKAFRO C[n+]1cccc(C(=O)OCCCCCn2ccc3cc(OCc4ccccc4)ccc32)c1 ZINC000013524859 562991474 /nfs/dbraw/zinc/99/14/74/562991474.db2.gz IRRYVWLNNHUYRO-UHFFFAOYSA-N 1 0 429.540 5.072 1 0 IKAFRO C/C=C(\C)C(=O)N[C@H]1CC[C@@]2(C)C(=CC[C@H]3C4=CC[C@H]([C@H](C)[NH+](C)C)[C@@]4(C)CC[C@@H]32)C1=O ZINC000013529644 562991945 /nfs/dbraw/zinc/99/19/45/562991945.db2.gz GCHGDPVSONOHQE-PNUJEHDGSA-N 1 0 438.656 5.066 1 0 IKAFRO COc1ccc(O[C@@H](CC[NH+]2CCN(c3noc4ccccc43)CC2)c2ccccc2)cc1 ZINC000013530549 562992005 /nfs/dbraw/zinc/99/20/05/562992005.db2.gz ORVYTAZBAFYYLI-VWLOTQADSA-N 1 0 443.547 5.169 1 0 IKAFRO C[C@H]1C[C@@H](c2cc3cc(F)ccc3s2)CC[N@@H+]1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000013535659 562992301 /nfs/dbraw/zinc/99/23/01/562992301.db2.gz VXBBUYIZAQUAJB-ZWOKBUDYSA-N 1 0 438.568 5.530 1 0 IKAFRO Cc1cccc2sc([C@@H]3CC[N@H+](C[C@H](O)COc4cccc5[nH]ccc54)[C@@H](C)C3)cc21 ZINC000013535676 562992379 /nfs/dbraw/zinc/99/23/79/562992379.db2.gz RBTQWIMQKBKIOV-ZCNNSNEGSA-N 1 0 434.605 5.699 1 0 IKAFRO C[C@H]1C[C@H](c2cc3ccc(F)cc3s2)CC[N@@H+]1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000013535695 562992457 /nfs/dbraw/zinc/99/24/57/562992457.db2.gz GOYJQBUTBBQPFC-HQRMLTQVSA-N 1 0 438.568 5.530 1 0 IKAFRO C[NH+](C)CCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1 ZINC000013537642 562992539 /nfs/dbraw/zinc/99/25/39/562992539.db2.gz QMEMHVHMFKSLBE-UHFFFAOYSA-N 1 0 446.641 6.402 1 0 IKAFRO C[NH+](C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1Cc1ccccc1 ZINC000013537651 562992551 /nfs/dbraw/zinc/99/25/51/562992551.db2.gz ZNSZSBCRBOOMJA-UHFFFAOYSA-N 1 0 428.601 6.091 1 0 IKAFRO COCCN(CCOC)c1cc(C)[nH+]c2c1ccc(C)c2-c1ccc(Cl)cc1Cl ZINC000013553464 562992860 /nfs/dbraw/zinc/99/28/60/562992860.db2.gz KBLXXSRPZBDWLT-UHFFFAOYSA-N 1 0 433.379 5.925 1 0 IKAFRO Cc1ccc(C(=O)N[C@@H](CC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C(C)C)cc1 ZINC000013553776 562992996 /nfs/dbraw/zinc/99/29/96/562992996.db2.gz DLVIZPKIHPEVAO-DEOSSOPVSA-N 1 0 447.450 6.359 1 0 IKAFRO Oc1ccc([C@@H]2Cc3ccc(O)cc3O[C@@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000013560487 562994173 /nfs/dbraw/zinc/99/41/73/562994173.db2.gz KBMDZABSIZNFOF-XTEPFMGCSA-N 1 0 445.559 5.423 1 0 IKAFRO O=C(CCCCC[NH+]1CCN(c2ccccc2Cl)CC1)N[C@@H]1CCCc2ccccc21 ZINC000013586571 562995454 /nfs/dbraw/zinc/99/54/54/562995454.db2.gz OVYNZBZCWFALNG-XMMPIXPASA-N 1 0 440.031 5.216 1 0 IKAFRO CCC[N@@H+](Cc1sc(Nc2c(C)cc(Cl)cc2C)nc1C(F)(F)F)CC1CC1 ZINC000013587344 562995671 /nfs/dbraw/zinc/99/56/71/562995671.db2.gz IRNUWPICFPGYQU-UHFFFAOYSA-N 1 0 431.955 6.798 1 0 IKAFRO CCC[N@@H+](Cc1sc(Nc2ccc(OC)cc2OC)nc1C(F)(F)F)CC1CC1 ZINC000013587348 562995676 /nfs/dbraw/zinc/99/56/76/562995676.db2.gz URXZBVXGPOSYQN-UHFFFAOYSA-N 1 0 429.508 5.545 1 0 IKAFRO Cc1cc2cc(Nc3ccnc4cc(-c5ccc(C[NH2+]CCCO)cc5)sc43)ccc2[nH]1 ZINC000013588195 562995903 /nfs/dbraw/zinc/99/59/03/562995903.db2.gz QYULUQACUCDZHT-UHFFFAOYSA-N 1 0 442.588 5.969 1 0 IKAFRO O=C(NCC/C=C/c1ccccc1)c1ccccc1C[N@H+]1CCCc2ccc(O)cc2C1 ZINC000013589150 562996247 /nfs/dbraw/zinc/99/62/47/562996247.db2.gz FFBZLGCQGBBDDO-IZZDOVSWSA-N 1 0 426.560 5.174 1 0 IKAFRO Cc1c2cc(O)ccc2n(CCCCCC[NH2+][C@H](C)c2ccccn2)c1-c1ccc(O)cc1 ZINC000013649986 562998986 /nfs/dbraw/zinc/99/89/86/562998986.db2.gz HIHVTGQFMFQDEG-OAQYLSRUSA-N 1 0 443.591 6.334 1 0 IKAFRO Cc1c2cc(O)ccc2n(CCCCCC[NH2+][C@@H](C)c2ccccn2)c1-c1ccc(O)cc1 ZINC000013649987 562998982 /nfs/dbraw/zinc/99/89/82/562998982.db2.gz HIHVTGQFMFQDEG-NRFANRHFSA-N 1 0 443.591 6.334 1 0 IKAFRO Cc1ccc(SC[C@H](c2ccccc2)N2CC[N@H+](CCc3ccccc3)CCC2=O)cc1 ZINC000013661734 562999797 /nfs/dbraw/zinc/99/97/97/562999797.db2.gz FTZOLYIYBDDYHP-HHHXNRCGSA-N 1 0 444.644 5.605 3 0 IKAFRO Oc1ccc(C2=C(c3ccc(OCC[NH+]4CCCCC4)cc3)c3ccc(O)cc3C2)cc1 ZINC000013673471 563000221 /nfs/dbraw/zinc/00/02/21/563000221.db2.gz MEFAURHMHWBYCD-UHFFFAOYSA-N 1 0 427.544 5.478 1 0 IKAFRO C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CSCC(=O)Nc2cccc3ccccc32)C1 ZINC000013677505 563000690 /nfs/dbraw/zinc/00/06/90/563000690.db2.gz LARCKFZPEUKPOS-IRLDBZIGSA-N 1 0 439.024 5.900 1 0 IKAFRO Nc1nc(N)c(-c2ccc(NCc3ccc(Cl)cc3)cc2)c(CCc2ccccc2)[nH+]1 ZINC000013686036 563001239 /nfs/dbraw/zinc/00/12/39/563001239.db2.gz GWZJEFHVGSPENX-UHFFFAOYSA-N 1 0 429.955 5.359 1 0 IKAFRO O=C(NCCCOc1cccc(C[NH+]2CCCCC2)c1)Nc1cccc(C(F)(F)F)c1 ZINC000013725226 563001354 /nfs/dbraw/zinc/00/13/54/563001354.db2.gz UEYLTDPPLIJKCQ-UHFFFAOYSA-N 1 0 435.490 5.282 1 0 IKAFRO CCOC(=O)[C@@H]1CCC[N@H+](CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC000013729557 563001703 /nfs/dbraw/zinc/00/17/03/563001703.db2.gz IONXAOIHSBYWRM-LJQANCHMSA-N 1 0 436.379 5.375 1 0 IKAFRO Cc1ccc2c(C3CC[NH+](CCN4CCN(C(C)C)C4=O)CC3)cn(-c3ccccc3)c2c1 ZINC000013731183 563001806 /nfs/dbraw/zinc/00/18/06/563001806.db2.gz NVDGVHLBFYZKSO-UHFFFAOYSA-N 1 0 444.623 5.264 1 0 IKAFRO CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H](C[NH2+]Cc1ccccc1)c1ccccc1 ZINC000013737263 563002473 /nfs/dbraw/zinc/00/24/73/563002473.db2.gz FEQVVFFTAHNCJG-RUZDIDTESA-N 1 0 443.635 6.629 1 0 IKAFRO O=C(OCCCCCC[NH+]1CCC(c2ccccc2)CC1)C1(c2ccccc2)CCCC1 ZINC000013737414 563002555 /nfs/dbraw/zinc/00/25/55/563002555.db2.gz GAFACYIEQRDXLC-UHFFFAOYSA-N 1 0 433.636 6.482 1 0 IKAFRO COc1cc(C(C)=O)ccc1OCCCC[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000013740847 563003235 /nfs/dbraw/zinc/00/32/35/563003235.db2.gz URPSWDOKMDDWIR-UHFFFAOYSA-N 1 0 440.515 5.217 1 0 IKAFRO C[C@@H](CNC(=O)C(c1ccccc1)c1ccccc1)C[NH+]1CCC(c2ccccc2)CC1 ZINC000013755529 563004252 /nfs/dbraw/zinc/00/42/52/563004252.db2.gz KIZGDYANNHWFQI-QHCPKHFHSA-N 1 0 426.604 5.450 1 0 IKAFRO Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCC[C@@H]([NH+](C)C)c4ccccc43)cc2)cc1 ZINC000013757966 563004598 /nfs/dbraw/zinc/00/45/98/563004598.db2.gz PHPULJQCMNHJMS-XMMPIXPASA-N 1 0 427.548 5.291 1 0 IKAFRO CCC[NH2+][C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 ZINC000013757984 563004608 /nfs/dbraw/zinc/00/46/08/563004608.db2.gz IAAWMHDTMSAXJH-RUZDIDTESA-N 1 0 441.575 5.729 1 0 IKAFRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c2ccccc21 ZINC000013757970 563004615 /nfs/dbraw/zinc/00/46/15/563004615.db2.gz UFEYOJAXAPVSJT-HSZRJFAPSA-N 1 0 447.966 5.636 1 0 IKAFRO Fc1ccc([C@H](OCCC2CC[NH+](CCCc3ccccc3)CC2)c2cccs2)cc1 ZINC000013778634 563006029 /nfs/dbraw/zinc/00/60/29/563006029.db2.gz ZGIZBOLECRDANC-MHZLTWQESA-N 1 0 437.624 6.728 1 0 IKAFRO CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1OCC[NH3+])c1ccccc1 ZINC000013795697 563007256 /nfs/dbraw/zinc/00/72/56/563007256.db2.gz ABPUPHVEUMCNPO-QFIPXVFZSA-N 1 0 425.532 5.120 1 0 IKAFRO Fc1ccc(CC[NH2+]C[C@@H]2CCCN(CCOC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000013803908 563008177 /nfs/dbraw/zinc/00/81/77/563008177.db2.gz FECMCOWJDSNXAS-VWLOTQADSA-N 1 0 446.610 5.476 1 0 IKAFRO C[N@H+](CCCc1ccccc1)C1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000013803933 563008220 /nfs/dbraw/zinc/00/82/20/563008220.db2.gz QYIDZGIRYRGUNF-UHFFFAOYSA-N 1 0 442.647 5.822 1 0 IKAFRO Cc1cccc[n+]1Cc1ccc(NC(=O)C2=Cc3cc(-c4ccccc4)ccc3CC2)cc1 ZINC000013808539 563008708 /nfs/dbraw/zinc/00/87/08/563008708.db2.gz ZHJOCJYRPIZAFZ-UHFFFAOYSA-O 1 0 431.559 5.966 1 0 IKAFRO CC[NH+](CC)CCCNc1ccc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1 ZINC000013812751 563009010 /nfs/dbraw/zinc/00/90/10/563009010.db2.gz FGYHKGHRFWZNFE-UHFFFAOYSA-N 1 0 433.383 5.051 1 0 IKAFRO CC(C)c1c(S(=O)(=O)c2ccc(OCCC[NH2+]C(C)(C)C)cc2)c2ccccc2n1C ZINC000013827199 563010581 /nfs/dbraw/zinc/01/05/81/563010581.db2.gz BJZZZMYLHLRQKC-UHFFFAOYSA-N 1 0 442.625 5.292 1 0 IKAFRO COc1ccc([C@@H]2Oc3ccccc3N(CCCCC[N@H+]3[C@H](C)CCC[C@@H]3C)C2=O)cc1 ZINC000013834492 563011974 /nfs/dbraw/zinc/01/19/74/563011974.db2.gz IIVFKZRYVBKPLV-UZINWLIJSA-N 1 0 436.596 5.595 1 0 IKAFRO CCCc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)ccc2[nH+]1 ZINC000013835532 563012152 /nfs/dbraw/zinc/01/21/52/563012152.db2.gz PXUVWPAZAHWNHO-UHFFFAOYSA-N 1 0 445.950 6.254 1 0 IKAFRO COc1ccc(O[C@@H](CC[NH+]2CCN(c3ccccc3OC)CC2)c2ccccc2)cc1 ZINC000013861698 563012782 /nfs/dbraw/zinc/01/27/82/563012782.db2.gz UJPPBKZKXYUAMB-SANMLTNESA-N 1 0 432.564 5.036 1 0 IKAFRO COc1ccc(O[C@H](CC[NH+]2CCN(c3ccc(Cl)cc3)CC2)c2ccccc2)cc1 ZINC000013861709 563012881 /nfs/dbraw/zinc/01/28/81/563012881.db2.gz VYONZOVNZCVKFR-AREMUKBSSA-N 1 0 436.983 5.681 1 0 IKAFRO Clc1cccc([C@@H](OC2C[C@H]3CC[C@@H](C2)[N@H+]3CCCc2ccccc2)c2ccccc2)c1 ZINC000013861968 563012884 /nfs/dbraw/zinc/01/28/84/563012884.db2.gz OYZKUGKMWYXUJF-VKAIGLIFSA-N 1 0 446.034 7.074 1 0 IKAFRO FC(F)(F)c1ccc(O[C@H](CC[NH+]2CCN(c3ccccn3)CC2)c2ccccc2)cc1 ZINC000013861736 563012922 /nfs/dbraw/zinc/01/29/22/563012922.db2.gz BFUZKYZYAVZLHQ-HSZRJFAPSA-N 1 0 441.497 5.433 1 0 IKAFRO COc1c(C(=O)N[C@@H]2CC[N@@H+](C3CCCCCC3)C2)cc(Br)c2ccccc21 ZINC000013862869 563013200 /nfs/dbraw/zinc/01/32/00/563013200.db2.gz CJONMKUBCIENBK-MRXNPFEDSA-N 1 0 445.401 5.138 1 0 IKAFRO Cc1cccc(C)c1Nc1ncc(-c2cccc(OC[C@H]3CCC[N@@H+](C)C3)c2)n2cncc12 ZINC000013981064 563014208 /nfs/dbraw/zinc/01/42/08/563014208.db2.gz CMZVYJMYCACHOM-NRFANRHFSA-N 1 0 441.579 5.477 1 0 IKAFRO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c2cc(-c3ccccc3)oc21 ZINC000013983081 563014254 /nfs/dbraw/zinc/01/42/54/563014254.db2.gz LNYCQEZPPFYNOL-UHFFFAOYSA-N 1 0 429.516 5.684 1 0 IKAFRO COc1cc(-c2ccc3c(c2)NC(=O)/C3=C\c2[nH]c(C)c(C[NH+](C)C)c2C(C)C)ccc1O ZINC000014956317 563015802 /nfs/dbraw/zinc/01/58/02/563015802.db2.gz OSFVSYFDKMYAJC-MOSHPQCFSA-N 1 0 445.563 5.382 1 0 IKAFRO Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(-c5ccccc5)c4)c3)cc12 ZINC000014961765 563016169 /nfs/dbraw/zinc/01/61/69/563016169.db2.gz MIDLLPGHBVGNMV-VWLOTQADSA-N 1 0 434.543 5.549 1 0 IKAFRO Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cc(C(F)(F)F)ccc4F)c3)cc12 ZINC000014961741 563016186 /nfs/dbraw/zinc/01/61/86/563016186.db2.gz CIYJMYQAULVQHO-SFHVURJKSA-N 1 0 444.432 5.040 1 0 IKAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2c1ncc(-c2ccc(Cl)cc2)s1 ZINC000014978587 563017255 /nfs/dbraw/zinc/01/72/55/563017255.db2.gz RUZFACWXYQTPTF-HIUFNZKISA-N 1 0 429.416 6.851 1 0 IKAFRO CSCCC/C(=C(\c1ccc(O)cc1)c1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000014978659 563017276 /nfs/dbraw/zinc/01/72/76/563017276.db2.gz KOKFDHHICYICJW-DQSJHHFOSA-N 1 0 447.644 6.435 1 0 IKAFRO Clc1ccc(CCNCC[NH2+]C2(c3cc4ccccc4s3)CCCCC2)cc1Cl ZINC000019365716 563022623 /nfs/dbraw/zinc/02/26/23/563022623.db2.gz OJSYGXWHGGTEPQ-UHFFFAOYSA-N 1 0 447.475 6.789 1 0 IKAFRO CC[NH+](CC)CCCCNc1cc2c(cn1)cc(-c1c(Cl)cccc1Cl)c(=O)n2C ZINC000021289492 563025326 /nfs/dbraw/zinc/02/53/26/563025326.db2.gz PMCRAXHPRPRFAQ-UHFFFAOYSA-N 1 0 447.410 5.441 1 0 IKAFRO Cc1ccc([C@@H](OCC[NH+]2CCN(C/C=C/c3ccccc3)CC2)c2ccccc2)cc1 ZINC000022925526 563025850 /nfs/dbraw/zinc/02/58/50/563025850.db2.gz YXBBKRPEQRPZSX-IINUCZPTSA-N 1 0 426.604 5.432 1 0 IKAFRO Fc1ccc(/C=C/CN2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022925584 563025858 /nfs/dbraw/zinc/02/58/58/563025858.db2.gz ZLMSKRWURWKHQQ-BQYQJAHWSA-N 1 0 430.567 5.263 1 0 IKAFRO c1ccc(CCCN2CC[NH+](CCCCN(Cc3ccccc3)c3ccccc3)CC2)cc1 ZINC000022925738 563025926 /nfs/dbraw/zinc/02/59/26/563025926.db2.gz UHSCSAWACVGXHJ-UHFFFAOYSA-N 1 0 441.663 5.724 1 0 IKAFRO CN1CC[NH+]([C@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000022926937 563026026 /nfs/dbraw/zinc/02/60/26/563026026.db2.gz YMPYNBMELXUYDF-HXUWFJFHSA-N 1 0 446.435 5.230 1 0 IKAFRO C[C@@H]1C[N@@H+](CCCn2c3ccccc3c3ccccc32)C[C@H](C)N1CCCc1ccccc1 ZINC000022930237 563026217 /nfs/dbraw/zinc/02/62/17/563026217.db2.gz CJLMHMFDXCFFRR-PLQXJYEYSA-N 1 0 439.647 6.212 1 0 IKAFRO c1ccc(CCC[NH2+]C[C@@H]2CCCN2CCOC(c2ccccc2)c2ccccc2)cc1 ZINC000022938539 563026538 /nfs/dbraw/zinc/02/65/38/563026538.db2.gz GHAOQDNUNJNCCJ-NDEPHWFRSA-N 1 0 428.620 5.479 1 0 IKAFRO COc1ccc(CCC[NH+]2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022939456 563026811 /nfs/dbraw/zinc/02/68/11/563026811.db2.gz KUUFDDVDVNEHHS-UHFFFAOYSA-N 1 0 444.619 5.052 1 0 IKAFRO COc1ccc(/C=C/CN2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022939441 563026829 /nfs/dbraw/zinc/02/68/29/563026829.db2.gz IMFCLGVHCSVYJJ-CMDGGOBGSA-N 1 0 442.603 5.132 1 0 IKAFRO COc1ccc(CCCN2CC[NH+](CCC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000025996662 563028184 /nfs/dbraw/zinc/02/81/84/563028184.db2.gz GWYICQIMZJHISZ-UHFFFAOYSA-N 1 0 428.620 5.468 1 0 IKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2nccc(C)c2c1Oc1ccc(Cl)cc1Cl ZINC000026024393 563028741 /nfs/dbraw/zinc/02/87/41/563028741.db2.gz XKRYLFKHIRRIPM-CQSZACIVSA-N 1 0 434.367 6.190 1 0 IKAFRO O[C@H](CCC[N@@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccccc1)c1ccc(F)cc1 ZINC000026179029 563029560 /nfs/dbraw/zinc/02/95/60/563029560.db2.gz VCHSYIPRDSWSPA-WYMJOSIYSA-N 1 0 434.530 5.788 1 0 IKAFRO O[C@@H](CCC[N@@H+]1CC[C@@H]2[C@@H](C1)c1ccccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000026181445 563029656 /nfs/dbraw/zinc/02/96/56/563029656.db2.gz NQGONAKHHVLXTL-OIKPOIBNSA-N 1 0 434.530 5.788 1 0 IKAFRO O=C1CCCCN1CCCC[N@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 ZINC000026187921 563029855 /nfs/dbraw/zinc/02/98/55/563029855.db2.gz WALAJAAZARPECC-UKILVPOCSA-N 1 0 439.550 5.067 1 0 IKAFRO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C([NH+]5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000026250620 563030014 /nfs/dbraw/zinc/03/00/14/563030014.db2.gz FCQNQJNOVOAUEQ-OLEFNNLGSA-N 1 0 437.756 8.617 1 0 IKAFRO CC1(C)Oc2cc(O)ccc2[C@@H](c2ccc(OCC[NH+]3CCCC3)cc2)[C@H]1c1ccccc1 ZINC000026263917 563030238 /nfs/dbraw/zinc/03/02/38/563030238.db2.gz PAIABUZDHNKOIL-VSGBNLITSA-N 1 0 443.587 5.954 1 0 IKAFRO COc1ccc([S@](=O)c2ccc([C@@H](C)C3CC[NH+](C4CCCCC4)CC3)cc2)cc1 ZINC000026288377 563030809 /nfs/dbraw/zinc/03/08/09/563030809.db2.gz NDXFHBBFUCQHAL-KEEVHDRGSA-N 1 0 425.638 6.010 1 0 IKAFRO COc1ccc([S@@](=O)c2ccc([C@@H](C)C3CC[NH+](C4CCCCC4)CC3)cc2)cc1 ZINC000026288372 563030816 /nfs/dbraw/zinc/03/08/16/563030816.db2.gz NDXFHBBFUCQHAL-PRAQEBQASA-N 1 0 425.638 6.010 1 0 IKAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2c(-c3ccccc3)noc2C(C)C)C1C(=O)OCC ZINC000026385025 563031526 /nfs/dbraw/zinc/03/15/26/563031526.db2.gz NXCFKLLOEZTCHO-CTNNYUBMSA-N 1 0 438.524 5.666 1 0 IKAFRO FC(F)(F)c1cccc(N2CC[NH+](CCCCCOc3ccc4c(c3)CCC4)CC2)c1 ZINC000026509217 563033082 /nfs/dbraw/zinc/03/30/82/563033082.db2.gz GBMOFTYYYJSWQC-UHFFFAOYSA-N 1 0 432.530 5.565 1 0 IKAFRO CCS(=O)(=O)Nc1ccc(CCC2=[NH+][C@H](c3ccccc3)c3ccccc3CN2C)cc1 ZINC000026570355 563033331 /nfs/dbraw/zinc/03/33/31/563033331.db2.gz KPQLLHLLODVXPI-AREMUKBSSA-N 1 0 447.604 5.014 1 0 IKAFRO Oc1ccc2c(c1)S[C@H](c1ccncc1)[C@H](c1ccc(OCC[NH+]3CCCCC3)cc1)O2 ZINC000026574887 563033518 /nfs/dbraw/zinc/03/35/18/563033518.db2.gz FSRJCUXUSRNUQO-IZZNHLLZSA-N 1 0 448.588 5.619 1 0 IKAFRO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2ccccc2[C@H]1C[NH+]1CCCCCC1 ZINC000026577185 563033802 /nfs/dbraw/zinc/03/38/02/563033802.db2.gz SKJOVMGLMDHNKI-HSZRJFAPSA-N 1 0 431.407 5.538 1 0 IKAFRO CCc1cc(OCc2ccc(-c3c(C)cccc3-c3nn[nH]n3)cc2)c2c([nH+]1)CCCC2 ZINC000026577450 563033839 /nfs/dbraw/zinc/03/38/39/563033839.db2.gz SXMYUTJKMODSLV-UHFFFAOYSA-N 1 0 425.536 5.257 1 0 IKAFRO CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)c(Cl)c2)c2c([nH+]1)CCCC2 ZINC000026577371 563033847 /nfs/dbraw/zinc/03/38/47/563033847.db2.gz KDRYYKNFANUHTJ-UHFFFAOYSA-N 1 0 445.954 5.602 1 0 IKAFRO C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)[NH+]1CCCc1ccccc1 ZINC000026577686 563033937 /nfs/dbraw/zinc/03/39/37/563033937.db2.gz KRUBQUVNIYCARV-KAYWLYCHSA-N 1 0 441.663 6.242 1 0 IKAFRO Oc1ccc2c(c1)S[C@H](c1ccccc1)[C@H](c1ccc(OCC[NH+]3CCCCC3)cc1)O2 ZINC000026651316 563034589 /nfs/dbraw/zinc/03/45/89/563034589.db2.gz WGDOPZQMRJSAPD-RRPNLBNLSA-N 1 0 447.600 6.224 1 0 IKAFRO Oc1ccc2c(c1)S[C@@H](c1ccccc1)[C@H](c1ccc(OCC[NH+]3CCCCC3)cc1)O2 ZINC000026651325 563034592 /nfs/dbraw/zinc/03/45/92/563034592.db2.gz WGDOPZQMRJSAPD-SVBPBHIXSA-N 1 0 447.600 6.224 1 0 IKAFRO O=C(c1cccs1)N1C[C@H](C[NH+]2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026655755 563034816 /nfs/dbraw/zinc/03/48/16/563034816.db2.gz CVLFQNKIXDJJFJ-LOSJGSFVSA-N 1 0 430.617 5.484 1 0 IKAFRO CCCCNC(=O)[C@@H](C)C[C@H](O)[C@@H]([NH3+])C[C@H](Cc1ccc(C(C)(C)C)cc1)CC(C)C ZINC000026657091 563034929 /nfs/dbraw/zinc/03/49/29/563034929.db2.gz WOFPCGJFVZCERV-OQYVESBJSA-N 1 0 432.693 5.210 1 0 IKAFRO CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@H+](CCC(N)=O)CC1 ZINC000026665331 563035215 /nfs/dbraw/zinc/03/52/15/563035215.db2.gz ZZHNOVUUFUFNLN-ZWKOTPCHSA-N 1 0 428.617 5.218 1 0 IKAFRO COc1ccc(C[C@@H]2[NH2+]CCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc1OC ZINC000026670386 563035308 /nfs/dbraw/zinc/03/53/08/563035308.db2.gz SMJLESCHYNIWNW-DEOSSOPVSA-N 1 0 428.532 5.194 1 0 IKAFRO O=C(NCCCC[N@H+]1CC[C@H]2c3cccc(O)c3CC[C@@H]21)c1ccc(-c2ccccc2)cc1 ZINC000026717769 563035545 /nfs/dbraw/zinc/03/55/45/563035545.db2.gz CYBHGHQYVGGXRB-BDYUSTAISA-N 1 0 440.587 5.374 1 0 IKAFRO C[C@@H]1[C@@H](C)c2ccccc2[C@H](C[NH+]2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000026744683 563036351 /nfs/dbraw/zinc/03/63/51/563036351.db2.gz PLYOATQTXPMHSZ-QZMQVMSPSA-N 1 0 431.407 5.707 1 0 IKAFRO CN(C(=O)[C@H]1C(c2ccccc2)=C1c1cccc(Cl)c1)[C@H]1CCCC[C@@H]1[NH+]1CCCC1 ZINC000026747802 563036405 /nfs/dbraw/zinc/03/64/05/563036405.db2.gz YLSWYZBILYWGQN-FXSPECFOSA-N 1 0 435.011 5.746 1 0 IKAFRO CN(C(=O)[C@H]1C(c2ccccc2)=C1c1ccc(Cl)cc1)[C@H]1CCCC[C@@H]1[NH+]1CCCC1 ZINC000026752835 563036636 /nfs/dbraw/zinc/03/66/36/563036636.db2.gz QCGGFEVPGFMZTQ-FXSPECFOSA-N 1 0 435.011 5.746 1 0 IKAFRO COc1ccc2c(c1)O[C@@H](c1ccc(OCC[NH+]3CCCC3)cc1)[C@@H](c1ccccc1)C2=O ZINC000026946169 563038077 /nfs/dbraw/zinc/03/80/77/563038077.db2.gz KQGPDKRGLZIJCH-XCZPVHLTSA-N 1 0 443.543 5.270 1 0 IKAFRO COc1ccc2c(c1)O[C@@H](c1ccc(OCC[NH+]3CCCC3)cc1)C(c1ccccc1)=C2 ZINC000026957184 563038249 /nfs/dbraw/zinc/03/82/49/563038249.db2.gz HWTDZENDPWBZGE-NDEPHWFRSA-N 1 0 427.544 5.844 1 0 IKAFRO CCCC[NH2+]C[C@H](O)COc1ccc([C@@H]2Oc3ccccc3C=C2c2ccccc2)cc1 ZINC000026960499 563038270 /nfs/dbraw/zinc/03/82/70/563038270.db2.gz DIIFULRELAXYTN-CUBQBAPOSA-N 1 0 429.560 5.490 1 0 IKAFRO CCCCC1=[NH+]C2(CCCC2)CN1Cc1ccc(-c2ccccc2C(=O)C(C)(C)C)cc1 ZINC000027081971 563039067 /nfs/dbraw/zinc/03/90/67/563039067.db2.gz DYURUOUOBVIGCU-UHFFFAOYSA-N 1 0 430.636 7.300 1 0 IKAFRO COc1ccccc1CC[N@@H+]1CCC[C@H]1CO[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000027192850 563040398 /nfs/dbraw/zinc/04/03/98/563040398.db2.gz NPKPFBNCIVTVGA-BDYUSTAISA-N 1 0 435.995 6.162 1 0 IKAFRO COc1ccccc1CC[N@@H+]1CCC[C@H]1CO[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000027192854 563040410 /nfs/dbraw/zinc/04/04/10/563040410.db2.gz NPKPFBNCIVTVGA-AHKZPQOWSA-N 1 0 435.995 6.162 1 0 IKAFRO Clc1cccc(-n2nc(C3CC[NH2+]CC3)cc2/C=C/c2c(Cl)cccc2Cl)c1 ZINC000027194421 563040489 /nfs/dbraw/zinc/04/04/89/563040489.db2.gz FBLHHVYNGQOVDT-BQYQJAHWSA-N 1 0 432.782 6.470 1 0 IKAFRO COc1cccc(CC[N@@H+]2CCC[C@H]2CO[C@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000027195109 563040510 /nfs/dbraw/zinc/04/05/10/563040510.db2.gz PNLPGVPANALDMI-AHKZPQOWSA-N 1 0 435.995 6.162 1 0 IKAFRO Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000027205187 563040694 /nfs/dbraw/zinc/04/06/94/563040694.db2.gz ZRLRZCJLKJGBOO-IZZNHLLZSA-N 1 0 433.573 6.051 1 0 IKAFRO COc1ccc(C[C@@H]2CN3C(=[NH+]C[C@@H]3C3CCCCC3)N2CCCC2CCCCC2)cc1 ZINC000027209901 563040928 /nfs/dbraw/zinc/04/09/28/563040928.db2.gz UMIJHKIIVRNJCH-XNMGPUDCSA-N 1 0 437.672 5.903 1 0 IKAFRO O=C1c2ccccc2C(=O)N1CCCCC[N@H+]1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1 ZINC000027330054 563041693 /nfs/dbraw/zinc/04/16/93/563041693.db2.gz RIJJQSBEJRHVSU-UHFFFAOYSA-N 1 0 447.966 5.377 1 0 IKAFRO C[NH+]1CCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CC1 ZINC000027523453 563042893 /nfs/dbraw/zinc/04/28/93/563042893.db2.gz NLHMBBKPLFEDFA-UHFFFAOYSA-N 1 0 431.420 5.904 1 0 IKAFRO c1ccc(-c2ccc(COc3ccc4c(c3)CC[C@H](CC[NH+]3CCCCC3)C4)cc2)cc1 ZINC000027523752 563042943 /nfs/dbraw/zinc/04/29/43/563042943.db2.gz ICEDUXJQWPWGLP-XMMPIXPASA-N 1 0 425.616 6.914 1 0 IKAFRO O[C@@H](c1cc(Oc2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12)[C@@H]1CCCC[NH2+]1 ZINC000027524532 563043072 /nfs/dbraw/zinc/04/30/72/563043072.db2.gz KSQJFNKWIYWYST-RXVVDRJESA-N 1 0 437.754 6.163 1 0 IKAFRO O[C@H](c1cc(Oc2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12)[C@H]1CCCC[NH2+]1 ZINC000027524533 563043112 /nfs/dbraw/zinc/04/31/12/563043112.db2.gz KSQJFNKWIYWYST-WIYYLYMNSA-N 1 0 437.754 6.163 1 0 IKAFRO C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@@H](SCCC[NH3+])CC[C@@]43C)C1=CC[C@@H]2C1=CC(=O)OC1 ZINC000027525053 563043226 /nfs/dbraw/zinc/04/32/26/563043226.db2.gz LFJNOMLQQIBVAY-RNRSFCTLSA-N 1 0 429.670 5.499 1 0 IKAFRO CCC[NH+]1CCC(CCCn2c(COc3ccc(Cl)cc3)nc3c2cccc3C)CC1 ZINC000027526756 563043389 /nfs/dbraw/zinc/04/33/89/563043389.db2.gz FOCNLPMMIXSWPU-UHFFFAOYSA-N 1 0 440.031 6.479 1 0 IKAFRO FC(F)(F)c1cc(CO[C@@H]2C3CC[NH+](CC3)[C@H]2Cc2ccccc2)cc(C(F)(F)F)c1 ZINC000027546611 563043429 /nfs/dbraw/zinc/04/34/29/563043429.db2.gz JOTMNMNWQYWMOE-LEWJYISDSA-N 1 0 443.431 5.946 1 0 IKAFRO CC[NH+](CC)CCCCCCCCCCNc1ccnc2cc(Br)ccc21 ZINC000027553310 563043524 /nfs/dbraw/zinc/04/35/24/563043524.db2.gz IORURFPLEGRNBH-UHFFFAOYSA-N 1 0 434.466 6.872 1 0 IKAFRO C[C@H](C(=O)N(C1CCCCC1)C(C)(C)C)C1(O)CC[NH+](CCc2ccccc2Cl)CC1 ZINC000027553076 563043576 /nfs/dbraw/zinc/04/35/76/563043576.db2.gz GRXAFMRADLKXMO-HXUWFJFHSA-N 1 0 449.079 5.305 1 0 IKAFRO CN(C(=O)C1(C2(O)CC[NH+](CCc3ccccc3Cl)CC2)CCCC1)C1CCCCC1 ZINC000027555067 563043616 /nfs/dbraw/zinc/04/36/16/563043616.db2.gz GZFQJSWIZUHQEK-UHFFFAOYSA-N 1 0 447.063 5.061 1 0 IKAFRO Oc1ccc(CCCC[NH2+]CCc2c3ccccc3[nH]c2-c2csc3ccccc23)cc1 ZINC000027557931 563043924 /nfs/dbraw/zinc/04/39/24/563043924.db2.gz XQSIXLZVPINYDD-UHFFFAOYSA-N 1 0 440.612 6.910 1 0 IKAFRO CN(C)c1ccc(CC(=O)NCCCCCCCC[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000027647181 563045066 /nfs/dbraw/zinc/04/50/66/563045066.db2.gz FBLHWWHWLOLXDP-UHFFFAOYSA-N 1 0 439.688 5.310 1 0 IKAFRO Clc1cc2nc(C3CC[NH2+]CC3)n(Cc3ccccc3Br)c2cc1Cl ZINC000027753907 563046867 /nfs/dbraw/zinc/04/68/67/563046867.db2.gz CISILVBRWRWQQU-UHFFFAOYSA-N 1 0 439.184 5.621 1 0 IKAFRO COc1cccc2c1CC[C@H]([NH+]1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(Cl)cc1Cl ZINC000027766684 563047065 /nfs/dbraw/zinc/04/70/65/563047065.db2.gz OAPVBBARBLUDJS-URXFXBBRSA-N 1 0 447.406 5.155 1 0 IKAFRO Cc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000027854301 563047335 /nfs/dbraw/zinc/04/73/35/563047335.db2.gz LWMRICWQIMMVLN-UPVQGACJSA-N 1 0 431.407 5.455 1 0 IKAFRO CCCC[NH2+]C[C@@H](O)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O ZINC000027878507 563047754 /nfs/dbraw/zinc/04/77/54/563047754.db2.gz CSLYNIARIFXDFE-JOCHJYFZSA-N 1 0 443.543 5.256 1 0 IKAFRO O=C(Nc1ccccc1C(F)(F)F)NC1CC[NH+](CCc2c[nH]c3ccccc23)CC1 ZINC000027992708 563048945 /nfs/dbraw/zinc/04/89/45/563048945.db2.gz FQSZZYYPHGVYDC-UHFFFAOYSA-N 1 0 430.474 5.015 1 0 IKAFRO CCCCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ccc(S(N)(=O)=O)cc1 ZINC000027998940 563049156 /nfs/dbraw/zinc/04/91/56/563049156.db2.gz RQSFYMOWKDPFGH-UHFFFAOYSA-N 1 0 443.592 5.287 1 0 IKAFRO CC(C)CCC[C@@H](C)[C@@H]1CC[NH2+][C@@]2(C)C3=CC[C@@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000028003626 563049367 /nfs/dbraw/zinc/04/93/67/563049367.db2.gz CNEDFRRZBUGSJK-DOPGRRJESA-N 1 0 443.760 7.367 1 0 IKAFRO CCC[N@H+](CC)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F ZINC000028122926 563051133 /nfs/dbraw/zinc/05/11/33/563051133.db2.gz MDVVVKDZMDEZHS-UHFFFAOYSA-N 1 0 446.753 7.098 1 0 IKAFRO O=C(c1ccccc1)c1ccc2c(c1O)NC1(CCCCC1)[C@@H]([NH2+]CC1CCCCC1)O2 ZINC000028125501 563051218 /nfs/dbraw/zinc/05/12/18/563051218.db2.gz TZXLMJRRPDIAEG-SANMLTNESA-N 1 0 434.580 5.626 1 0 IKAFRO Cc1ccccc1CC(=O)N1CCC([NH+]2CCC(Cc3ccccc3Cl)CC2)CC1 ZINC000028132055 563051393 /nfs/dbraw/zinc/05/13/93/563051393.db2.gz KBOLPTDSGMVEOR-UHFFFAOYSA-N 1 0 425.016 5.137 1 0 IKAFRO Cc1ccccc1CC(=O)N1CCC([NH+]2CCC(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000028135781 563051516 /nfs/dbraw/zinc/05/15/16/563051516.db2.gz LSQRQZWLLFOMJN-UHFFFAOYSA-N 1 0 425.016 5.137 1 0 IKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2nccc(C)c2c1OCCCCOc1ccccc1 ZINC000028221316 563051749 /nfs/dbraw/zinc/05/17/49/563051749.db2.gz PFYPVSPZEFZSAB-HXUWFJFHSA-N 1 0 437.584 5.329 1 0 IKAFRO CN(C(=O)NC1CCCCC1)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028356068 563053371 /nfs/dbraw/zinc/05/33/71/563053371.db2.gz SGPYFZMLSCRVSX-UHFFFAOYSA-N 1 0 433.640 5.647 1 0 IKAFRO O=C1[C@H](c2ccc(C(F)(F)F)cc2)CC=CCN1[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000028455813 563054683 /nfs/dbraw/zinc/05/46/83/563054683.db2.gz ASGNSBZVWDMQMJ-GOTSBHOMSA-N 1 0 428.498 5.415 1 0 IKAFRO CCC[N@@H+](Cc1c(CC)nc2n1c1cc(F)ccc1n2-c1c(C)cc(C)cc1C)CC1CC1 ZINC000028465001 563055272 /nfs/dbraw/zinc/05/52/72/563055272.db2.gz WWUKKAAYBFTUAL-UHFFFAOYSA-N 1 0 446.614 6.527 1 0 IKAFRO [NH3+]CCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1cc2ccccc2s1 ZINC000028468315 563055341 /nfs/dbraw/zinc/05/53/41/563055341.db2.gz AZJHEXSDTVCQFF-UHFFFAOYSA-N 1 0 447.633 5.715 1 0 IKAFRO CC[NH+](CC)CC[C@@H]1C(c2ccccc2)=Nc2ccccc2S[C@H]1c1ccc(Cl)cc1 ZINC000028520248 563055803 /nfs/dbraw/zinc/05/58/03/563055803.db2.gz RKMHAQQHRMTUGO-KCWPFWIISA-N 1 0 449.063 7.656 1 0 IKAFRO CC[NH+](CC)CC[C@H]1C(c2ccccc2)=Nc2ccccc2S[C@H]1c1ccc(Cl)cc1 ZINC000028520246 563055805 /nfs/dbraw/zinc/05/58/05/563055805.db2.gz RKMHAQQHRMTUGO-HOFKKMOUSA-N 1 0 449.063 7.656 1 0 IKAFRO Clc1ccc2[nH]cc(CCc3cc(C4CC[NH2+]CC4)nn3-c3cccc(Cl)c3)c2c1 ZINC000028526300 563056892 /nfs/dbraw/zinc/05/68/92/563056892.db2.gz XJBYRIYWGJJJOP-UHFFFAOYSA-N 1 0 439.390 5.913 1 0 IKAFRO CCC(=O)Oc1ccccc1/C=C/C(=O)Oc1cccc([C@@]2(CC)CCCC[N@H+](C)C2)c1 ZINC000028526563 563056981 /nfs/dbraw/zinc/05/69/81/563056981.db2.gz AFHPKFWIWTYKKF-VHRAYMLOSA-N 1 0 435.564 5.384 1 0 IKAFRO C[C@@H]1CC[N@H+](CCOc2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)cc2)C1 ZINC000028527101 563057072 /nfs/dbraw/zinc/05/70/72/563057072.db2.gz JAVIIUAYGNOEAR-NRZUKODWSA-N 1 0 427.588 5.975 1 0 IKAFRO O=C1Nc2ccccc2[C@H](c2ccccc2)N1C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000028568156 563058393 /nfs/dbraw/zinc/05/83/93/563058393.db2.gz FOPUJSJQHJHZKH-VWLOTQADSA-N 1 0 431.967 5.942 1 0 IKAFRO O=C1Nc2ccccc2[C@@H](c2ccccc2)N1C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000028567993 563058425 /nfs/dbraw/zinc/05/84/25/563058425.db2.gz CQBYCTWLUKYTPN-RUZDIDTESA-N 1 0 431.967 5.942 1 0 IKAFRO COc1ccccc1C[NH+]1CCC(N2C(=O)Nc3ccccc3[C@@H]2c2ccccc2)CC1 ZINC000028568003 563058439 /nfs/dbraw/zinc/05/84/39/563058439.db2.gz PSPIPEZWCFFHNP-SANMLTNESA-N 1 0 427.548 5.297 1 0 IKAFRO COc1ccc(C[NH+]2CCC(N3C(=O)Nc4ccccc4[C@H]3c3ccccc3)CC2)cc1 ZINC000028568010 563058459 /nfs/dbraw/zinc/05/84/59/563058459.db2.gz FYYBHVIEVZMBFP-AREMUKBSSA-N 1 0 427.548 5.297 1 0 IKAFRO O=C1Nc2ccccc2[C@H](c2ccccc2)N1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000028568073 563058477 /nfs/dbraw/zinc/05/84/77/563058477.db2.gz NBWUEXRNUZNQAL-VWLOTQADSA-N 1 0 431.967 5.942 1 0 IKAFRO CC(C)(C)[C@@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCC2(CCc3ccccc32)CC1 ZINC000028569039 563058593 /nfs/dbraw/zinc/05/85/93/563058593.db2.gz AVDFEWUMZBRVSD-SANMLTNESA-N 1 0 432.652 5.378 1 0 IKAFRO Clc1cccc([C@@](c2ccccc2)(c2ccc(C[NH+]3CCCC3)cc2)n2ccnc2)c1 ZINC000028604050 563059660 /nfs/dbraw/zinc/05/96/60/563059660.db2.gz JMWJHHSZIGXYTI-HHHXNRCGSA-N 1 0 427.979 5.973 1 0 IKAFRO CC(C)(C)[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1)c1ccccc1 ZINC000028637018 563059844 /nfs/dbraw/zinc/05/98/44/563059844.db2.gz NXLSPYIPMYWKMG-YWEHKCAJSA-N 1 0 445.603 5.619 1 0 IKAFRO CC(C)[C@H]([NH2+]C[C@H](O)COc1ccccc1C(=O)CCc1ccccc1)c1ccccc1 ZINC000028636826 563059880 /nfs/dbraw/zinc/05/98/80/563059880.db2.gz IMSAUJVBNBXQTC-CUBQBAPOSA-N 1 0 431.576 5.229 1 0 IKAFRO O=C(CCC[NH+]1CCN(Cc2ccc(Cl)cc2)CC1)Nc1ccc(Cl)cc1Cl ZINC000028647016 563060861 /nfs/dbraw/zinc/06/08/61/563060861.db2.gz NZZDOTMFWBRWNC-UHFFFAOYSA-N 1 0 440.802 5.183 1 0 IKAFRO O=C(CCC[NH+]1CCN(Cc2cccc(Cl)c2)CC1)Nc1ccc(Cl)cc1Cl ZINC000028647013 563060906 /nfs/dbraw/zinc/06/09/06/563060906.db2.gz RYWNEHSSSQPTOY-UHFFFAOYSA-N 1 0 440.802 5.183 1 0 IKAFRO O=C(OCCCC[NH+]1CCC(OC(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000028650604 563061195 /nfs/dbraw/zinc/06/11/95/563061195.db2.gz SUQKPOGAPWZPRM-UHFFFAOYSA-N 1 0 443.587 5.894 1 0 in-vivo IKAFRO c1ccc(-c2ccc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccc(-c4ccccc4)cc3)cc2)cc1 ZINC000028707589 563062184 /nfs/dbraw/zinc/06/21/84/563062184.db2.gz JRLXCUCYQSHCJI-MEKGRNQZSA-N 1 0 444.622 6.869 1 0 IKAFRO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC1)=CC2 ZINC000028708681 563062395 /nfs/dbraw/zinc/06/23/95/563062395.db2.gz MFPBGQALPRVWRX-JXFKEZNVSA-N 1 0 437.506 5.164 1 0 IKAFRO COc1ccccc1C[N@H+](C)Cc1ccc(-c2cc3cc(OC)c(OC)cc3oc2=O)cc1 ZINC000028710691 563062540 /nfs/dbraw/zinc/06/25/40/563062540.db2.gz WGNYJSHONXWUNW-UHFFFAOYSA-N 1 0 445.515 5.118 1 0 IKAFRO CC(C)C(=O)Nc1cccc(C2CC[NH+](CCCC(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000028710563 563062559 /nfs/dbraw/zinc/06/25/59/563062559.db2.gz XZHJITMMAUAOIV-UHFFFAOYSA-N 1 0 426.988 5.777 1 0 IKAFRO CC(C)C(=O)Nc1cccc(C2CC[NH+](Cc3ccc(Oc4ccccc4)cc3)CC2)c1 ZINC000028710583 563062600 /nfs/dbraw/zinc/06/26/00/563062600.db2.gz BNQLJQAWDJNCDL-UHFFFAOYSA-N 1 0 428.576 6.453 1 0 IKAFRO Cc1ccccc1-c1nc2ccc(-c3ccc(Cl)cc3)cc2c(=O)n1C[C@H]1CCC[NH2+]C1 ZINC000028711897 563062765 /nfs/dbraw/zinc/06/27/65/563062765.db2.gz KEDIOFJBLQAMKU-IBGZPJMESA-N 1 0 443.978 5.692 1 0 IKAFRO C[C@H]1CC[C@H](C)N1C(=O)c1ccc(-c2ccc(OCCC[NH+]3CCC(C)CC3)cc2)cc1 ZINC000028760448 563063730 /nfs/dbraw/zinc/06/37/30/563063730.db2.gz XLLYVFMFBVAZQF-GOTSBHOMSA-N 1 0 434.624 5.867 1 0 IKAFRO COc1ccc2c(c1)OCC(c1ccc(F)cc1)=C2c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000028761978 563063759 /nfs/dbraw/zinc/06/37/59/563063759.db2.gz HTMZBEWHWDXEJL-UHFFFAOYSA-N 1 0 445.534 5.660 1 0 IKAFRO CC[NH+]1CCC(CNc2nc(Nc3ccc(Cl)c(Cl)c3)nc3ccccc32)CC1 ZINC000028772193 563064452 /nfs/dbraw/zinc/06/44/52/563064452.db2.gz GXXIPOMCVZTGMW-UHFFFAOYSA-N 1 0 430.383 5.824 1 0 IKAFRO CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cn1cnc2c1C(=[NH2+])N(C)CN2C ZINC000028816849 563064604 /nfs/dbraw/zinc/06/46/04/563064604.db2.gz NMMSXCBTOOJGBU-DATPJQFLSA-N 1 0 437.676 6.693 1 0 IKAFRO COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCC[NH+]1CCCCCC1 ZINC000028819859 563065264 /nfs/dbraw/zinc/06/52/64/563065264.db2.gz KXTOHQQZXQCPKK-UHFFFAOYSA-N 1 0 449.378 5.417 1 0 IKAFRO CCC[N@H+](CCCCc1c[nH]c2ccc(F)cc12)[C@@H]1COc2c(ccc3ncccc32)C1 ZINC000028821573 563065388 /nfs/dbraw/zinc/06/53/88/563065388.db2.gz GWEJVOZVKXCEIR-QFIPXVFZSA-N 1 0 431.555 5.894 1 0 IKAFRO CC[NH+](CC)Cc1ccc(CN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)cc1 ZINC000028821658 563065441 /nfs/dbraw/zinc/06/54/41/563065441.db2.gz WYAPHOCZZVELJJ-UHFFFAOYSA-N 1 0 442.550 7.350 1 0 IKAFRO Cc1ccc(Cn2cc(/C=C3/[C@@H](O)C4CC[NH+]3CC4)c3cc(Br)ccc32)cc1 ZINC000028826448 563066460 /nfs/dbraw/zinc/06/64/60/563066460.db2.gz GFUGYSAHXALDMM-PCZPJENVSA-N 1 0 437.381 5.188 1 0 IKAFRO C[NH+](C)C12C[C@H](OC(=O)CN3CCCCC3)C([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 ZINC000028863272 563067088 /nfs/dbraw/zinc/06/70/88/563067088.db2.gz CWVOPLAUUGTKDU-CIVVDIMJSA-N 1 0 446.635 5.066 1 0 IKAFRO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c2cc(-c3ccccn3)oc21 ZINC000028877933 563067697 /nfs/dbraw/zinc/06/76/97/563067697.db2.gz VLMCHIMKCURVRR-UHFFFAOYSA-N 1 0 430.504 5.079 1 0 IKAFRO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c2cc(-c3ccncc3)oc21 ZINC000028877946 563067710 /nfs/dbraw/zinc/06/77/10/563067710.db2.gz KOUIBBIDIWBUAO-UHFFFAOYSA-N 1 0 430.504 5.079 1 0 IKAFRO O=C1O[C@H](c2cccc3ccccc32)CN1C1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000028892474 563068472 /nfs/dbraw/zinc/06/84/72/563068472.db2.gz XIUZRJJVOTWZOZ-SANMLTNESA-N 1 0 425.532 5.479 1 0 IKAFRO [NH3+]CC1CCC(CNc2nc(Nc3cc(Cl)cc(Cl)c3)ncc2C(F)(F)F)CC1 ZINC000028898334 563068845 /nfs/dbraw/zinc/06/88/45/563068845.db2.gz HSSMMKKQRAUAIH-UHFFFAOYSA-N 1 0 448.320 5.723 1 0 IKAFRO COc1cc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OCC[NH+]1CCCC1 ZINC000028899161 563068924 /nfs/dbraw/zinc/06/89/24/563068924.db2.gz ROYXKWFBXGVHOV-UHFFFAOYSA-N 1 0 447.535 5.606 1 0 IKAFRO Fc1ccc([C@H](c2ccccc2)c2c(OCC[NH+]3CCCCC3)ccc3ccccc32)cc1 ZINC000028955583 563070185 /nfs/dbraw/zinc/07/01/85/563070185.db2.gz DMMQOUSUPSOOPY-LJAQVGFWSA-N 1 0 439.574 7.024 1 0 IKAFRO Fc1ccc([C@H](c2ccccc2)c2ccc(OCC[NH+]3CCCCC3)c3ccccc32)cc1 ZINC000028956042 563070248 /nfs/dbraw/zinc/07/02/48/563070248.db2.gz QAJWRVODDGMXAV-PMERELPUSA-N 1 0 439.574 7.024 1 0 IKAFRO Fc1ccc([C@@H](c2ccccc2)c2ccc(OCC[NH+]3CCCCC3)c3ccccc32)cc1 ZINC000028956039 563070264 /nfs/dbraw/zinc/07/02/64/563070264.db2.gz QAJWRVODDGMXAV-SSEXGKCCSA-N 1 0 439.574 7.024 1 0 IKAFRO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(Nc3nc4ccc(Br)cc4s3)CC1)=CC2 ZINC000028957195 563070430 /nfs/dbraw/zinc/07/04/30/563070430.db2.gz HRXQIUYPCJHWSI-YJBOKZPZSA-N 1 0 446.458 5.928 1 0 IKAFRO CCCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C[NH+](C)C)ccn32)n1 ZINC000028963551 563070849 /nfs/dbraw/zinc/07/08/49/563070849.db2.gz WRBFTCIWHYSJLD-UHFFFAOYSA-N 1 0 432.547 5.261 1 0 IKAFRO CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCC[NH+](C)C)c2ccccc21 ZINC000029037828 563071718 /nfs/dbraw/zinc/07/17/18/563071718.db2.gz HZAWLWCNSGPLFB-UHFFFAOYSA-N 1 0 433.640 6.394 1 0 IKAFRO CC[C@@]1(CCCCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)c2ccccc2NC1=O ZINC000029052997 563073169 /nfs/dbraw/zinc/07/31/69/563073169.db2.gz LLEDBTDMYSFCBM-RUZDIDTESA-N 1 0 426.004 5.323 1 0 IKAFRO CC[C@@]1(CCCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2cc(F)ccc21 ZINC000029055364 563073389 /nfs/dbraw/zinc/07/33/89/563073389.db2.gz QFHWIGIQQPTXBG-DEOSSOPVSA-N 1 0 429.967 5.072 1 0 IKAFRO C(/C=C/c1ccc2c(c1)OCO2)=C\c1sc(Nc2ccccc2)n[n+]1-c1ccccc1 ZINC000029064002 563073877 /nfs/dbraw/zinc/07/38/77/563073877.db2.gz IWWIKWROZWNELY-AITIXOJYSA-N 1 0 426.521 5.619 1 0 IKAFRO C[C@H](Nc1cc(Nc2nccc(-c3cccc(-c4ccccc4)c3)n2)cc[nH+]1)c1ccccc1 ZINC000029126696 563074741 /nfs/dbraw/zinc/07/47/41/563074741.db2.gz OYZBARDBMPADOQ-NRFANRHFSA-N 1 0 443.554 7.122 1 0 IKAFRO Clc1cccc(-n2nc(-c3ccc(OCc4ccccc4)cc3)n[n+]2-c2ccccc2)c1 ZINC000029129217 563075409 /nfs/dbraw/zinc/07/54/09/563075409.db2.gz MVZONENPHHKUHG-UHFFFAOYSA-N 1 0 439.926 5.443 1 0 IKAFRO Clc1cccc([C@](c2ccc(C[NH+]3CCCC3)cc2)(c2ccccn2)n2ccnc2)c1 ZINC000029134706 563076080 /nfs/dbraw/zinc/07/60/80/563076080.db2.gz WLCDUINKZRNEMK-AREMUKBSSA-N 1 0 428.967 5.368 1 0 IKAFRO C[NH+](C)C1CCC(Nc2nc3ccccc3c(Nc3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000029203482 563076358 /nfs/dbraw/zinc/07/63/58/563076358.db2.gz SUSVJLMTZUULPX-UHFFFAOYSA-N 1 0 430.383 5.965 1 0 IKAFRO FC(F)(F)c1ccc(Nc2nc3ccc(Cl)cc3c(NCCC[NH+]3CCCC3)n2)cc1 ZINC000029206022 563076382 /nfs/dbraw/zinc/07/63/82/563076382.db2.gz MEKGMHGCYJQPJU-UHFFFAOYSA-N 1 0 449.908 5.943 1 0 IKAFRO CC[NH+](CC)CCNc1nc(Nc2cc(Cl)c(Cl)cc2Cl)nc2ccccc21 ZINC000029205075 563076440 /nfs/dbraw/zinc/07/64/40/563076440.db2.gz KYAPQIUCYGLRKX-UHFFFAOYSA-N 1 0 438.790 6.087 1 0 IKAFRO O=c1cc(-c2ccccc2)oc2ccc(OCCCCCC[C@H]3CC[NH2+][C@H](CCO)C3)cc12 ZINC000029322943 563077905 /nfs/dbraw/zinc/07/79/05/563077905.db2.gz ILHCFXHHSGJCMQ-JTHBVZDNSA-N 1 0 449.591 5.540 1 0 IKAFRO C[NH+](C)CCCN1c2ccccc2Sc2ccc(COc3ccc(C(C)(C)C)cc3)cc21 ZINC000029332078 563078182 /nfs/dbraw/zinc/07/81/82/563078182.db2.gz SPHLLNFNOBCOGJ-UHFFFAOYSA-N 1 0 446.660 7.118 1 0 IKAFRO C=Cc1ccnc2c(N[C@H](C)CCC[NH3+])cc(OC)c(Oc3cccc(C(F)(F)F)c3)c12 ZINC000029337716 563078304 /nfs/dbraw/zinc/07/83/04/563078304.db2.gz YKMPELAIRASPBL-OAHLLOKOSA-N 1 0 445.485 6.237 1 0 IKAFRO CNc1cc(NC(=O)OC)ccc1N=C1C2=CCCC(C)(C)C2=[NH+][C@H]2C1=CC=CC2(C)C ZINC000029339429 563078331 /nfs/dbraw/zinc/07/83/31/563078331.db2.gz WBMWGXSMQBTLEK-QFIPXVFZSA-N 1 0 432.568 5.904 1 0 IKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2nccc(CO)c2c1Oc1cccc(C(F)(F)F)c1 ZINC000029338134 563078400 /nfs/dbraw/zinc/07/84/00/563078400.db2.gz NWTQEEPMGPLBSH-CQSZACIVSA-N 1 0 449.473 5.086 1 0 IKAFRO Cc1ccc(C(C(=O)NCCC[NH+]2CCC(c3ccccn3)CC2)c2ccc(C)cc2)cc1 ZINC000029345034 563078631 /nfs/dbraw/zinc/07/86/31/563078631.db2.gz DQQUWTIATKHALF-UHFFFAOYSA-N 1 0 441.619 5.216 1 0 IKAFRO CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]([NH3+])CC(C)(C)CCCc1ccc2ccccc2c1 ZINC000029347815 563078725 /nfs/dbraw/zinc/07/87/25/563078725.db2.gz HNJZNEGUNFNWBZ-YNJKOYDBSA-N 1 0 426.645 5.210 1 0 IKAFRO Cc1ccc(C(C(=O)NCCC[NH+]2CCC(c3ccccc3)CC2)c2ccc(C)cc2)cc1 ZINC000029389546 563078922 /nfs/dbraw/zinc/07/89/22/563078922.db2.gz DULYYRLDWDENEO-UHFFFAOYSA-N 1 0 440.631 5.821 1 0 IKAFRO C[C@@H](C[N@@H+]1CCCC[C@@H]1CC1CCCCC1)c1cccc(C(=O)c2ccc(Cl)cc2)c1 ZINC000029413208 563079874 /nfs/dbraw/zinc/07/98/74/563079874.db2.gz GAWPNRCSDDMHMR-KDYSTLNUSA-N 1 0 438.055 7.499 1 0 IKAFRO CCCC[NH+](CCCC)CCCOc1ccc(/C=C/c2nc3ccc(OC)cc3o2)cc1 ZINC000029479576 563081017 /nfs/dbraw/zinc/08/10/17/563081017.db2.gz QKSSAJXUAXQEPE-LFIBNONCSA-N 1 0 436.596 6.678 1 0 IKAFRO O=C(/C=C/c1ccc(O)cc1)NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000029479730 563081080 /nfs/dbraw/zinc/08/10/80/563081080.db2.gz RDHOXNIISYJWDG-JLHYYAGUSA-N 1 0 431.580 5.053 1 0 IKAFRO Cc1oc(-c2ccc(F)cc2)nc1CC[NH+]1CCC2(CC1)OC(=O)Nc1ccc(C)cc12 ZINC000029483791 563081222 /nfs/dbraw/zinc/08/12/22/563081222.db2.gz DKJIVIQZTYONQO-UHFFFAOYSA-N 1 0 435.499 5.193 1 0 IKAFRO COc1ccc(C[NH2+][C@@H](CNC(=O)Nc2c(C(C)C)cccc2C(C)C)CC(C)C)cc1 ZINC000029488908 563081438 /nfs/dbraw/zinc/08/14/38/563081438.db2.gz DKYVYDRLVFSEHS-JOCHJYFZSA-N 1 0 439.644 6.268 1 0 IKAFRO Cc1cc2sc(C3CC[NH+](C[C@H](O)COc4cccc5[nH]ccc54)CC3)cc2c(C)c1 ZINC000029556170 563082130 /nfs/dbraw/zinc/08/21/30/563082130.db2.gz URRZGKMZPRCQHM-FQEVSTJZSA-N 1 0 434.605 5.619 1 0 IKAFRO CC(C)[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1 ZINC000029559779 563082287 /nfs/dbraw/zinc/08/22/87/563082287.db2.gz WJLRKZLYCZXLCP-HSZRJFAPSA-N 1 0 443.543 5.110 1 0 IKAFRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000029567364 563082680 /nfs/dbraw/zinc/08/26/80/563082680.db2.gz PCJUYAAOEVYFKT-FQEVSTJZSA-N 1 0 428.555 5.861 1 0 IKAFRO COc1cc(NCCCCCCN2CC[NH+](C3CCCCC3)CC2)c2nccc(C)c2c1 ZINC000029567465 563082714 /nfs/dbraw/zinc/08/27/14/563082714.db2.gz MOJUHLGWTPXCLB-UHFFFAOYSA-N 1 0 438.660 5.474 1 0 IKAFRO COc1cccc2c1CC[C@@H]([N@H+](C)CCCCNC(=O)c1ccc(-c3ccccc3)cc1)C2 ZINC000029568106 563082791 /nfs/dbraw/zinc/08/27/91/563082791.db2.gz FOYUWODSNRINIS-AREMUKBSSA-N 1 0 442.603 5.362 1 0 IKAFRO Oc1cccc(CC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)c1 ZINC000029569338 563082962 /nfs/dbraw/zinc/08/29/62/563082962.db2.gz UPZLGFQLLYFEEA-UHFFFAOYSA-N 1 0 444.554 5.048 1 0 IKAFRO CC1(C)Oc2ccccc2C(c2ccc(OCC[NH+]3CCCC3)cc2)=C1c1ccccc1 ZINC000033827354 563084776 /nfs/dbraw/zinc/08/47/76/563084776.db2.gz ZQHUUFJAFBDUBB-UHFFFAOYSA-N 1 0 425.572 6.291 1 0 IKAFRO CC[N@H+](CCO)CCCCOc1ccc2c(c1)snc2-c1ccc(Br)cc1 ZINC000034299408 563086086 /nfs/dbraw/zinc/08/60/86/563086086.db2.gz XHOKJNHLSGAYJL-UHFFFAOYSA-N 1 0 449.414 5.199 1 0 in-vitro IKAFRO Cc1c2cc(O)ccc2n(Cc2ccc(OCC[NH+]3CCCCC3)cc2)c1-c1ccccc1 ZINC000034312355 563086126 /nfs/dbraw/zinc/08/61/26/563086126.db2.gz BQYMNRMHTXRMGR-UHFFFAOYSA-N 1 0 440.587 6.235 1 0 IKAFRO COc1cc(N(C)C(=O)c2ccc(-c3ccccc3)cc2)ccc1OCC[NH+]1CCCC1 ZINC000034351774 563086232 /nfs/dbraw/zinc/08/62/32/563086232.db2.gz ORISXKLAUSKCQY-UHFFFAOYSA-N 1 0 430.548 5.113 1 0 IKAFRO Cc1cccc(C)c1Oc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CC[NH2+]CC2)n1 ZINC000034754262 563087107 /nfs/dbraw/zinc/08/71/07/563087107.db2.gz WYNFNSAQVGSQMH-UHFFFAOYSA-N 1 0 443.526 5.480 1 0 IKAFRO O=c1[nH]c2ccc(-c3cnsc3)cc2cc1-c1cc2cc(C[NH+]3CCCCC3)ccc2[nH]1 ZINC000034804250 563087871 /nfs/dbraw/zinc/08/78/71/563087871.db2.gz ZBOACVGUBMXGQN-UHFFFAOYSA-N 1 0 440.572 5.786 1 0 IKAFRO CC(C)[N@@H+]1CCC[C@H](Cn2c3ccccc3nc2CN(C)[C@H]2CCCc3cccnc32)C1 ZINC000034821262 563088141 /nfs/dbraw/zinc/08/81/41/563088141.db2.gz QSKQVYGGIODIIN-OFVILXPXSA-N 1 0 431.628 5.061 1 0 IKAFRO CC[NH+](CC)CCCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccccc3)nc21 ZINC000034894612 563088532 /nfs/dbraw/zinc/08/85/32/563088532.db2.gz CLVSWXQSUDWUEQ-UHFFFAOYSA-N 1 0 443.599 5.662 1 0 IKAFRO CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000034984450 563088672 /nfs/dbraw/zinc/08/86/72/563088672.db2.gz NYFXIMCEKNFZKB-AREMUKBSSA-N 1 0 442.603 5.170 1 0 IKAFRO C[C@@H]1CCC[N@@H+]1CCc1ccc2nc(-c3c(Cl)n(C)nc3-c3ccccc3)ccc2c1 ZINC000035943806 563090473 /nfs/dbraw/zinc/09/04/73/563090473.db2.gz BHVLKNXTDWOMMA-GOSISDBHSA-N 1 0 430.983 5.983 1 0 IKAFRO C[NH+](C)[C@@H]1CC[C@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1 ZINC000035998237 563090701 /nfs/dbraw/zinc/09/07/01/563090701.db2.gz QHPRLDAGUGKEPY-RTWAWAEBSA-N 1 0 445.447 6.293 1 0 IKAFRO Cn1c(=O)cc(NC2CC[NH+](Cc3ccc4ccccc4c3)CC2)c2cc(Cl)ccc21 ZINC000036126678 563091030 /nfs/dbraw/zinc/09/10/30/563091030.db2.gz KXJVMFXTTSRQMV-UHFFFAOYSA-N 1 0 431.967 5.422 1 0 IKAFRO Cc1cc(C)cc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CC[NH2+]CC3)n2)c1 ZINC000036127094 563091243 /nfs/dbraw/zinc/09/12/43/563091243.db2.gz UVLWMBRFRAMDOW-UHFFFAOYSA-N 1 0 443.526 5.480 1 0 IKAFRO Cc1ccc(C)c(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CC[NH2+]CC3)n2)c1 ZINC000036127121 563091260 /nfs/dbraw/zinc/09/12/60/563091260.db2.gz LKSJNDKLXQAPDV-UHFFFAOYSA-N 1 0 443.526 5.480 1 0 IKAFRO CCc1ccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CC[NH2+]CC3)n2)cc1 ZINC000036127083 563091272 /nfs/dbraw/zinc/09/12/72/563091272.db2.gz GLWRGNCTKNNGMV-UHFFFAOYSA-N 1 0 443.526 5.425 1 0 IKAFRO O=C(Nc1ccccc1)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](CC1CCC1)CC3 ZINC000036221703 563092128 /nfs/dbraw/zinc/09/21/28/563092128.db2.gz UDWPHJLFGHTIHV-DKRHUIDYSA-N 1 0 430.592 6.156 1 0 in-vivo IKAFRO C[N@@H+]1CC[C@](O)(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000036271076 563092447 /nfs/dbraw/zinc/09/24/47/563092447.db2.gz NQHSMRHMUBKGPZ-DJJJIMSYSA-N 1 0 433.162 5.322 1 0 IKAFRO Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@H]2COC(c2ccc(F)cc2)c2ccc(F)cc2)[N@@H+]3C)cc1 ZINC000036270779 563092451 /nfs/dbraw/zinc/09/24/51/563092451.db2.gz WXEOOMWVKIXGIR-UNFRKHOWSA-N 1 0 447.569 6.646 1 0 IKAFRO CCOC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[N@@H+]2C ZINC000036271656 563092469 /nfs/dbraw/zinc/09/24/69/563092469.db2.gz WFAGOELXJWLULR-LNRXMEIDSA-N 1 0 448.390 5.514 1 0 IKAFRO CC[NH+](CC)Cc1cnc2c(cccc2CNC(=O)c2ccc(-c3ccc(F)cc3)nc2)c1 ZINC000036351707 563093414 /nfs/dbraw/zinc/09/34/14/563093414.db2.gz AJBOEHICNNVRON-UHFFFAOYSA-N 1 0 442.538 5.208 1 0 IKAFRO Cc1sc(C(=O)CCc2cc(C)c(OCC[NH+](C)C)c(C)c2)c2c1[C@H]1[C@@H](C2)C1(C)C ZINC000036478856 563095492 /nfs/dbraw/zinc/09/54/92/563095492.db2.gz GUIJMDUZMOKKRC-NFBKMPQASA-N 1 0 425.638 5.725 1 0 IKAFRO COc1ccc([C@@H]2CNC(=O)C23CC[NH+]([C@@H]2CCCC[C@H]2c2ccc(C)cc2)CC3)cc1 ZINC000038147555 563096329 /nfs/dbraw/zinc/09/63/29/563096329.db2.gz QXXZBLGXDWJYNL-KKUQBAQOSA-N 1 0 432.608 5.026 1 0 IKAFRO Cc1ccc2c(cccc2OCC[NH+]2CCC(Cc3cccc(-c4ccccc4)c3)CC2)n1 ZINC000038389490 563097593 /nfs/dbraw/zinc/09/75/93/563097593.db2.gz VGRLMXIRSMLELB-UHFFFAOYSA-N 1 0 436.599 6.544 1 0 IKAFRO O=S(=O)(c1cn(C2CC[NH+](Cc3ccccc3)CC2)c2ccccc12)c1ccccc1 ZINC000038560359 563097988 /nfs/dbraw/zinc/09/79/88/563097988.db2.gz NIZUMIGDRUBUIF-UHFFFAOYSA-N 1 0 430.573 5.311 1 0 IKAFRO O=C(c1ccc(F)cc1)C1CC[NH+](CCCN2c3ccccc3Sc3ccccc32)CC1 ZINC000039221712 563098878 /nfs/dbraw/zinc/09/88/78/563098878.db2.gz GPQBOGVFIZEKTG-UHFFFAOYSA-N 1 0 446.591 6.413 1 0 IKAFRO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H]([NH2+]CCN)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040380388 563099668 /nfs/dbraw/zinc/09/96/68/563099668.db2.gz HQNOVTVJJXVGAC-AXYOXNHISA-N 1 0 428.749 6.945 1 0 IKAFRO c1c(C[NH+]2CCC3(CC2)OCc2ccccc23)c(Cc2ccccc2)nn1-c1ccccc1 ZINC000040392818 563100011 /nfs/dbraw/zinc/10/00/11/563100011.db2.gz OCLSCKIXQQLLSD-UHFFFAOYSA-N 1 0 435.571 5.485 1 0 IKAFRO Fc1ccc(C2=C(c3ccc(OCC[NH+]4CCCC4)cc3)c3ccc(F)cc3OCC2)cc1 ZINC000040394265 563100355 /nfs/dbraw/zinc/10/03/55/563100355.db2.gz DVBULXMSJAHUEU-UHFFFAOYSA-N 1 0 447.525 6.181 1 0 IKAFRO CC[C@@H]1CCC[N@@H+]1CN1C(=O)c2cccc3c4oc(-c5ccccc5)nc4cc(c32)C1=O ZINC000040407282 563101443 /nfs/dbraw/zinc/10/14/43/563101443.db2.gz TYGGBXINXDIKGP-QGZVFWFLSA-N 1 0 425.488 5.076 1 0 IKAFRO COc1ccc(C)cc1NC(=O)OC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(SC)cc1 ZINC000040411705 563101764 /nfs/dbraw/zinc/10/17/64/563101764.db2.gz HFRLXDFJJCACCZ-WCRBZPEASA-N 1 0 440.609 5.860 1 0 IKAFRO CCCC[NH+](CCCC)CCOc1cc(=O)c2c(O)c(-c3ccc(O)cc3)coc-2c1 ZINC000040430609 563103418 /nfs/dbraw/zinc/10/34/18/563103418.db2.gz PAAXKEIJIYHRCZ-UHFFFAOYSA-N 1 0 425.525 5.152 1 0 IKAFRO S=c1[nH]c2cccc3c2n1[C@@H](Cc1ccccc1)[C@@H](Cc1ccccc1)[N@H+](CC1CC1)C3 ZINC000040519786 563104415 /nfs/dbraw/zinc/10/44/15/563104415.db2.gz HKNUJIRUVQCBJX-FTJBHMTQSA-N 1 0 439.628 6.320 1 0 IKAFRO Cc1ccc(N2CC=C(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC[NH+]1CCCCC1 ZINC000040565381 563104790 /nfs/dbraw/zinc/10/47/90/563104790.db2.gz GNZSGRLCSBCVRF-UHFFFAOYSA-N 1 0 445.390 5.597 1 0 IKAFRO O[C@@H]1CC2([NH+]3CCCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000040577040 563105388 /nfs/dbraw/zinc/10/53/88/563105388.db2.gz ATIHADHTPYSEIA-IBPNWZQXSA-N 1 0 430.419 6.260 1 0 IKAFRO O=C(CCC[NH+]1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000040631760 563105660 /nfs/dbraw/zinc/10/56/60/563105660.db2.gz LPBLINVTTFORLO-UHFFFAOYSA-N 1 0 449.541 5.576 1 0 IKAFRO Cc1ccc(N2CC[C@H](c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC[NH+]1CCCCC1 ZINC000040762447 563106335 /nfs/dbraw/zinc/10/63/35/563106335.db2.gz WAISWJFIOBYKSS-HXUWFJFHSA-N 1 0 447.406 5.687 1 0 IKAFRO COc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCC[NH+](C(C)C)C(C)C ZINC000040764337 563106538 /nfs/dbraw/zinc/10/65/38/563106538.db2.gz STWLTSSRVSGYBW-UHFFFAOYSA-N 1 0 426.601 5.743 1 0 IKAFRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1[C@H](C)O ZINC000040767078 563106701 /nfs/dbraw/zinc/10/67/01/563106701.db2.gz OOYODHLEJJEKDF-FQEVSTJZSA-N 1 0 432.564 5.380 1 0 IKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2ncccc2c1Oc1ccc(F)c(C(F)(F)F)c1 ZINC000040801439 563106770 /nfs/dbraw/zinc/10/67/70/563106770.db2.gz AQQAKDYJBMFJEC-CYBMUJFWSA-N 1 0 437.437 5.733 1 0 IKAFRO c1ccc2c(c1)c1ccccc1n2CCCC[NH+]1CCN(Cc2ccc3ccccc3c2)CC1 ZINC000040847994 563107710 /nfs/dbraw/zinc/10/77/10/563107710.db2.gz GGLOINTWOWDJOP-UHFFFAOYSA-N 1 0 447.626 6.546 1 0 IKAFRO Clc1ccc(C(OC2CC[NH+](CCc3ccccc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000040861269 563108077 /nfs/dbraw/zinc/10/80/77/563108077.db2.gz IYGYCFISJXFHNM-UHFFFAOYSA-N 1 0 440.414 6.807 1 0 IKAFRO C[NH+](C)C12C[C@@H](OC(=O)c3ccccc3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000040862787 563108361 /nfs/dbraw/zinc/10/83/61/563108361.db2.gz QENAPPGTAGKHGM-UFMDMHFFSA-N 1 0 425.572 5.894 1 0 IKAFRO COC(=O)c1cc2sc(-c3nc4cc(C(=[NH2+])NC(C)C)ccc4[nH]3)cc2c2ccccc12 ZINC000040873663 563109206 /nfs/dbraw/zinc/10/92/06/563109206.db2.gz GRADIYFSQTULHL-UHFFFAOYSA-N 1 0 442.544 5.708 1 0 IKAFRO CCOC(=O)[C@@](CCC[N@H+](C)CCCc1nc2ccccc2[nH]1)(c1ccccc1)C(C)C ZINC000040879279 563109628 /nfs/dbraw/zinc/10/96/28/563109628.db2.gz PVDJWOVUBFJXRE-HHHXNRCGSA-N 1 0 435.612 5.365 1 0 IKAFRO Cc1ccc(CC2=C(c3ccc(OCC[NH+]4CCCC4)cc3)c3ccccc3OCC2)cc1 ZINC000040891972 563110035 /nfs/dbraw/zinc/11/00/35/563110035.db2.gz VNXCCXOYYYSQGO-UHFFFAOYSA-N 1 0 439.599 6.297 1 0 IKAFRO CC(C)c1ccccc1N1CC[NH+](CCCCCC(=O)N2CCc3ccccc3C2)CC1 ZINC000040949423 563113737 /nfs/dbraw/zinc/11/37/37/563113737.db2.gz QDZRLBZZELBOIJ-UHFFFAOYSA-N 1 0 433.640 5.077 1 0 IKAFRO O=c1oc(-c2ccccc2)cc(-c2ccccc2)c1-c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000040974395 563115094 /nfs/dbraw/zinc/11/50/94/563115094.db2.gz CLXRUQMXVKEWCP-UHFFFAOYSA-N 1 0 437.539 6.115 1 0 IKAFRO O=c1oc(-c2ccccc2)cc(-c2ccc(OCC[NH+]3CCCC3)cc2)c1-c1ccccc1 ZINC000040974154 563115107 /nfs/dbraw/zinc/11/51/07/563115107.db2.gz RKJYYHYEOKVQLF-UHFFFAOYSA-N 1 0 437.539 6.115 1 0 IKAFRO Cc1ccc2c(cccc2OCC[NH+]2CCC(Cc3cccc(NC(=O)C(C)C)c3)CC2)n1 ZINC000040974438 563115205 /nfs/dbraw/zinc/11/52/05/563115205.db2.gz QCPJQUXIKFUXFN-UHFFFAOYSA-N 1 0 445.607 5.471 1 0 IKAFRO NC(=[NH2+])c1ccc2oc(-c3cccc(OCCCCCCOc4ccccc4)c3)cc2c1 ZINC000043060836 563117617 /nfs/dbraw/zinc/11/76/17/563117617.db2.gz YTSQBAMILWCILT-UHFFFAOYSA-N 1 0 428.532 6.402 1 0 IKAFRO CC(C)NC(=[NH2+])c1ccc2cc(-c3cccc(OCCCCOc4ccccc4)c3)oc2c1 ZINC000043067399 563117957 /nfs/dbraw/zinc/11/79/57/563117957.db2.gz RAOCDDVCKGRFPI-UHFFFAOYSA-N 1 0 442.559 6.661 1 0 IKAFRO NC(=[NH2+])c1ccc2cc(-c3cccc(OCCCCCCOc4ccccc4)c3)oc2c1 ZINC000043118630 563118617 /nfs/dbraw/zinc/11/86/17/563118617.db2.gz SSIWGZMMJKTDKL-UHFFFAOYSA-N 1 0 428.532 6.402 1 0 IKAFRO c1c2ccc(C3=[NH+]CCN3)cc2oc1-c1ccc(OCCCCOc2ccccc2)cc1 ZINC000043120393 563118824 /nfs/dbraw/zinc/11/88/24/563118824.db2.gz IJEQAJMRGYMJAG-UHFFFAOYSA-N 1 0 426.516 5.688 1 0 IKAFRO c1c2cc(C3=[NH+]CCN3)ccc2oc1-c1cccc(OCCCCCOc2ccccc2)c1 ZINC000043122407 563118973 /nfs/dbraw/zinc/11/89/73/563118973.db2.gz GDXUAEXXHHDVRC-UHFFFAOYSA-N 1 0 440.543 6.078 1 0 IKAFRO CC[NH+](CC)CCCOc1ccccc2c(/C=C3/C(=O)Nc4ccc(F)cc43)cc(C)c1-2 ZINC000043195356 563119286 /nfs/dbraw/zinc/11/92/86/563119286.db2.gz FDSSIMWUNGQCAX-XQNSMLJCSA-N 1 0 432.539 5.842 1 0 IKAFRO C[NH+](C)C1(c2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cs2)CCSCC1 ZINC000043205396 563119511 /nfs/dbraw/zinc/11/95/11/563119511.db2.gz GCLBDUBKVIKULL-UHFFFAOYSA-N 1 0 432.699 6.395 1 0 IKAFRO C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)([NH3+])[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000044086838 563121641 /nfs/dbraw/zinc/12/16/41/563121641.db2.gz LTBKTDVSMMFMFP-FOZCJHKPSA-N 1 0 427.717 6.716 1 0 IKAFRO CCC[C@@H](C)Nc1nc(N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(C)cc2)cc(C)[nH+]1 ZINC000045167785 563122493 /nfs/dbraw/zinc/12/24/93/563122493.db2.gz MPYVVKMSBMNIBL-YKSBVNFPSA-N 1 0 445.611 5.034 1 0 IKAFRO O=C(Nc1ccc(Cl)cc1)c1cccc(CN2CCC[N@@H+](Cc3cccc(O)c3)CC2)c1 ZINC000045169002 563122695 /nfs/dbraw/zinc/12/26/95/563122695.db2.gz FOAOZDMQGHQUKK-UHFFFAOYSA-N 1 0 449.982 5.006 1 0 IKAFRO CCCCCC[NH+]1CCN(Cc2cccc(NC(=O)c3ccc(Cl)c(Cl)c3)c2)CC1 ZINC000045186786 563122781 /nfs/dbraw/zinc/12/27/81/563122781.db2.gz UYPRGKUQAPLOSP-UHFFFAOYSA-N 1 0 448.438 5.944 1 0 IKAFRO COc1ccc(C[NH2+]Cc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)cc1 ZINC000045189073 563123197 /nfs/dbraw/zinc/12/31/97/563123197.db2.gz ZLNKPBRZJMOHCW-UHFFFAOYSA-N 1 0 425.557 6.257 1 0 IKAFRO CC[C@@H](CSC1CCCCC1)N(C)CC[N@H+](C)[C@@H](CC)CSC1CCCCC1 ZINC000045190140 563123464 /nfs/dbraw/zinc/12/34/64/563123464.db2.gz QUYWUVSZRQBGJS-VXKWHMMOSA-N 1 0 428.796 6.539 1 0 IKAFRO CC[C@H](CSC1CCCCC1)N(C)CC[N@H+](C)[C@@H](CC)CSC1CCCCC1 ZINC000045190143 563123480 /nfs/dbraw/zinc/12/34/80/563123480.db2.gz QUYWUVSZRQBGJS-SZPZYZBQSA-N 1 0 428.796 6.539 1 0 IKAFRO C[C@@H](CCCCC(=O)Nc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000045190309 563123486 /nfs/dbraw/zinc/12/34/86/563123486.db2.gz CFAYACFPSAGJTJ-YWZLYKJASA-N 1 0 442.909 5.569 1 0 IKAFRO CN(C)CC[NH2+]Cc1cccc(-c2ccc3c(c2)nccc3Nc2ccc(F)cc2Cl)c1 ZINC000045190328 563123487 /nfs/dbraw/zinc/12/34/87/563123487.db2.gz FFEZYDJYNFCHDG-UHFFFAOYSA-N 1 0 448.973 6.089 1 0 IKAFRO C[C@@H](Cc1ccc(Sc2ccccc2)cc1)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000045190243 563123496 /nfs/dbraw/zinc/12/34/96/563123496.db2.gz DIRLRUINXUWWAZ-GAJHUEQPSA-N 1 0 431.523 6.111 1 0 IKAFRO CCCCC[NH+]1CCC(NC(=O)c2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)CC1 ZINC000045191552 563123728 /nfs/dbraw/zinc/12/37/28/563123728.db2.gz XPNXEPOIGRMXEA-UHFFFAOYSA-N 1 0 435.612 5.447 1 0 IKAFRO O=C(Nc1ccc(OC2CC[NH+](CC3CC3)CC2)c(Cl)c1)c1ccc2ncccc2c1 ZINC000045191872 563123751 /nfs/dbraw/zinc/12/37/51/563123751.db2.gz LXYVFUJFAAIDMJ-UHFFFAOYSA-N 1 0 435.955 5.394 1 0 IKAFRO O=C(Nc1ccc(OC2CC[NH+](Cc3ccsc3)CC2)c(Cl)c1)c1ccc(F)cc1 ZINC000045192373 563123877 /nfs/dbraw/zinc/12/38/77/563123877.db2.gz VSPTVTGGLUMBSV-UHFFFAOYSA-N 1 0 444.959 5.836 1 0 IKAFRO CCCCCC[N@@H+]1CCCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)CC1 ZINC000045193119 563123955 /nfs/dbraw/zinc/12/39/55/563123955.db2.gz CMKMXYBWQZNHLI-UHFFFAOYSA-N 1 0 428.020 5.680 1 0 IKAFRO Cc1ccc(NC(=O)c2cccc(CN3CCC[N@H+](CC4CCCCC4)CC3)c2)cc1F ZINC000045194613 563124299 /nfs/dbraw/zinc/12/42/99/563124299.db2.gz BIDVZEYALFMHRY-UHFFFAOYSA-N 1 0 437.603 5.474 1 0 IKAFRO CCc1ccc(C[NH+]2CCC(NC(=O)c3ccc(-c4ccc(N(C)C)cc4)s3)CC2)cc1 ZINC000045194928 563124338 /nfs/dbraw/zinc/12/43/38/563124338.db2.gz HSSRSLKCVGTNTH-UHFFFAOYSA-N 1 0 447.648 5.438 1 0 IKAFRO O=C1CCCN1CCC[NH2+]Cc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)c1 ZINC000045195286 563124430 /nfs/dbraw/zinc/12/44/30/563124430.db2.gz WEKOYEOKFPASJN-UHFFFAOYSA-N 1 0 430.577 5.061 1 0 IKAFRO CCN(CCC[NH+]1CCCCC1)c1cc(C)nc(Nc2ccc(F)c(C(F)(F)F)c2)n1 ZINC000045195268 563124442 /nfs/dbraw/zinc/12/44/42/563124442.db2.gz FZXGNDAMSSEROC-UHFFFAOYSA-N 1 0 439.501 5.389 1 0 IKAFRO CNc1ccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)s3)cc2)cc1 ZINC000045200998 563124593 /nfs/dbraw/zinc/12/45/93/563124593.db2.gz KAYOLLUDGFWNJX-UHFFFAOYSA-N 1 0 438.600 6.598 1 0 IKAFRO C[C@H](Cc1ccc(OCCOc2ccccc2)cc1)[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000045196408 563124607 /nfs/dbraw/zinc/12/46/07/563124607.db2.gz GGNSYIUTZWUVQY-KBMIEXCESA-N 1 0 425.956 5.052 1 0 IKAFRO Cc1ccccc1C1CC[NH+](C2CCC(NC(=O)/C=C/c3cccc(F)c3F)CC2)CC1 ZINC000045201682 563124777 /nfs/dbraw/zinc/12/47/77/563124777.db2.gz UDORGSRGZQDFOJ-NTEUORMPSA-N 1 0 438.562 5.593 1 0 IKAFRO CCN(CCC[NH+]1CCCCC1)c1cc(C)nc(Nc2ccc(C)c(Br)c2)n1 ZINC000045201736 563124845 /nfs/dbraw/zinc/12/48/45/563124845.db2.gz UHOOMRZEDVQNRD-UHFFFAOYSA-N 1 0 446.437 5.302 1 0 IKAFRO Cc1cc2nc(-c3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)s3)[nH]c2cc1C ZINC000045201623 563124850 /nfs/dbraw/zinc/12/48/50/563124850.db2.gz UKYRMUUEHZUQSP-UHFFFAOYSA-N 1 0 444.604 5.303 1 0 IKAFRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3cc(-c4cccc(F)c4)cs3)C2)cc1 ZINC000045202065 563124875 /nfs/dbraw/zinc/12/48/75/563124875.db2.gz ZYYHMIVPUJHESM-FQEVSTJZSA-N 1 0 436.596 5.930 1 0 IKAFRO CC(C)c1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3cc(-c4cccc(F)c4)cs3)C2)cc1 ZINC000045202062 563124884 /nfs/dbraw/zinc/12/48/84/563124884.db2.gz ZYYHMIVPUJHESM-HXUWFJFHSA-N 1 0 436.596 5.930 1 0 IKAFRO COc1ccc(NC(=O)[C@H](CC(C)C)Nc2cc(C)[nH+]c(NCc3ccccc3C)n2)cc1 ZINC000045202175 563124894 /nfs/dbraw/zinc/12/48/94/563124894.db2.gz ZRYWPNMOBNRTCK-QHCPKHFHSA-N 1 0 447.583 5.179 1 0 IKAFRO COc1ccc(C[NH2+]Cc2ccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)cc2)cc1 ZINC000045202182 563124913 /nfs/dbraw/zinc/12/49/13/563124913.db2.gz INQHEWDPFZMDTF-UHFFFAOYSA-N 1 0 437.518 6.334 1 0 IKAFRO CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)cc2)C1 ZINC000045202289 563124933 /nfs/dbraw/zinc/12/49/33/563124933.db2.gz UMHIBFZUHXYLCA-DEOSSOPVSA-N 1 0 442.538 5.089 1 0 IKAFRO CCC[C@H](C)Nc1nc(N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(OC)cc2)cc(C)[nH+]1 ZINC000045202267 563124969 /nfs/dbraw/zinc/12/49/69/563124969.db2.gz BIACJLORPSIZKD-MBSDFSHPSA-N 1 0 447.583 5.056 1 0 IKAFRO Cn1nc(-c2cccc(C[NH2+][C@H]3CCc4ccccc43)c2)c2cnc(NC3CCCC3)nc21 ZINC000045202864 563125120 /nfs/dbraw/zinc/12/51/20/563125120.db2.gz ZXJAWQRMIYVOKP-DEOSSOPVSA-N 1 0 438.579 5.162 1 0 IKAFRO Cc1ccccc1C1CC[NH+](C2CCC(NC(=O)/C=C/c3ccc(Cl)cc3)CC2)CC1 ZINC000045209965 563125209 /nfs/dbraw/zinc/12/52/09/563125209.db2.gz VYQXIANCRCRXFH-OVCLIPMQSA-N 1 0 437.027 5.969 1 0 IKAFRO C[NH+](C)Cc1ccc(-c2cccc(Nc3nccc(NC[C@H](O)c4ccccc4)n3)c2)cc1 ZINC000045210933 563125274 /nfs/dbraw/zinc/12/52/74/563125274.db2.gz SQJDGKCCZDJNLE-VWLOTQADSA-N 1 0 439.563 5.094 1 0 IKAFRO [NH3+]CCCNc1ccc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)cn1 ZINC000045210683 563125305 /nfs/dbraw/zinc/12/53/05/563125305.db2.gz SZLHWXZGJSPXJR-UHFFFAOYSA-N 1 0 447.436 5.311 1 0 IKAFRO CCCCCC[NH+]1CCN(Cc2cccc(NC(=O)c3cc4ccccc4s3)c2)CC1 ZINC000045226875 563125386 /nfs/dbraw/zinc/12/53/86/563125386.db2.gz GHMPPDPIKGYHQF-UHFFFAOYSA-N 1 0 435.637 5.852 1 0 IKAFRO CCC[N@@H+]1CCCN(Cc2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)CC1 ZINC000045227400 563125531 /nfs/dbraw/zinc/12/55/31/563125531.db2.gz LFFPACLLIJACCP-UHFFFAOYSA-N 1 0 427.592 5.524 1 0 IKAFRO CCCC[N@@H+]1CC[C@@H](CC[C@@H](O)c2cc(OCCC)nc3ccc(OC)cc32)[C@@H](CC)C1 ZINC000045228194 563125633 /nfs/dbraw/zinc/12/56/33/563125633.db2.gz NAMCTIVEBSSCFX-LZCXECNNSA-N 1 0 442.644 5.994 1 0 IKAFRO C[NH+]1C(C)(C)CC(NC(=O)c2ccc(-c3cc4cc(Cl)c(Cl)cc4[nH]3)o2)CC1(C)C ZINC000045229031 563125830 /nfs/dbraw/zinc/12/58/30/563125830.db2.gz WBKYETBPSKNNCE-UHFFFAOYSA-N 1 0 448.394 6.116 1 0 IKAFRO Cc1ccc(NC(=O)c2ccc(CN3CCC[N@H+](CC4CCCCC4)CC3)cc2)cc1C ZINC000045229411 563125851 /nfs/dbraw/zinc/12/58/51/563125851.db2.gz JMBTZFGPMFQLLB-UHFFFAOYSA-N 1 0 433.640 5.644 1 0 IKAFRO Cc1ccc(O)cc1Nc1ccnc2cc(-c3csc(CN(C)CC[NH+](C)C)n3)ccc21 ZINC000045229631 563125948 /nfs/dbraw/zinc/12/59/48/563125948.db2.gz WTDHTJBBTQCBTM-UHFFFAOYSA-N 1 0 447.608 5.109 1 0 IKAFRO O=C(Nc1ccc(O[C@@H]2CCN(Cc3ccc(F)cc3)C2)c(Cl)c1)c1ccc(F)cc1 ZINC000045229671 563125970 /nfs/dbraw/zinc/12/59/70/563125970.db2.gz KLKUAAWQOIOQHU-OAQYLSRUSA-N 1 0 442.893 5.524 1 0 IKAFRO c1[nH]c2nc(NC3CCCC3)ncc2c1-c1cccc(C[NH+]2CCc3ccccc3CC2)c1 ZINC000045230114 563126132 /nfs/dbraw/zinc/12/61/32/563126132.db2.gz CSNAVPXZADABAL-UHFFFAOYSA-N 1 0 437.591 5.580 1 0 IKAFRO COc1cc(-c2cc(-c3ccc(OCC[NH+](C)C)cc3)[nH]c2-c2ccncc2)ccc1Cl ZINC000045231102 563126231 /nfs/dbraw/zinc/12/62/31/563126231.db2.gz XDYQLKBAYSFCAF-UHFFFAOYSA-N 1 0 447.966 6.013 1 0 IKAFRO C[NH+](C)CC[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 ZINC000045286650 563128372 /nfs/dbraw/zinc/12/83/72/563128372.db2.gz UEQRAYKOWRQJKB-HSZRJFAPSA-N 1 0 427.375 6.083 1 0 IKAFRO CC(C)C[N@@H+]1CCCN(Cc2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)CC1 ZINC000045301992 563129280 /nfs/dbraw/zinc/12/92/80/563129280.db2.gz REIGDXAORIALJJ-UHFFFAOYSA-N 1 0 441.619 5.770 1 0 IKAFRO O=C(NCC1CCC(C[NH2+]CCCc2ccccc2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000045301840 563129282 /nfs/dbraw/zinc/12/92/82/563129282.db2.gz OPHXXFHKBBBATA-UHFFFAOYSA-N 1 0 448.438 6.144 1 0 IKAFRO O=C(/C=C/c1ccsc1)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045302188 563129370 /nfs/dbraw/zinc/12/93/70/563129370.db2.gz XBWBZFGSTXRIGT-JXMROGBWSA-N 1 0 447.648 5.797 1 0 IKAFRO Fc1ccc2[nH]c(-c3ccc(-c4ccc(C[NH2+]CCc5ccncc5)cc4)s3)nc2c1 ZINC000045302834 563129596 /nfs/dbraw/zinc/12/95/96/563129596.db2.gz XOJQZECPQJYQEL-UHFFFAOYSA-N 1 0 428.536 5.825 1 0 IKAFRO CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000045302862 563129680 /nfs/dbraw/zinc/12/96/80/563129680.db2.gz YIFFMCJAMCELCA-YRAWWPLASA-N 1 0 448.394 5.150 1 0 IKAFRO COc1ccc(NC(=O)[C@H](CC(C)C)Nc2cc(C)[nH+]c(NCC3CCCCC3)n2)cc1 ZINC000045321720 563130275 /nfs/dbraw/zinc/13/02/75/563130275.db2.gz RTBGHYNLYSWSLV-QFIPXVFZSA-N 1 0 439.604 5.251 1 0 IKAFRO c1ccc(CC[NH2+]Cc2ccc(-c3ccc(CNc4ccc5ncccc5c4)cc3)cc2)cc1 ZINC000045322922 563130532 /nfs/dbraw/zinc/13/05/32/563130532.db2.gz OBTGLUAKKXUSGT-UHFFFAOYSA-N 1 0 443.594 6.846 1 0 IKAFRO Cc1cnc(-c2ccc(NC(=O)c3coc4ccc(N5C[C@@H](C)[N@H+](C)[C@@H](C)C5)cc34)cc2)o1 ZINC000045323391 563130681 /nfs/dbraw/zinc/13/06/81/563130681.db2.gz IYQODWQEDAWPIT-CALCHBBNSA-N 1 0 444.535 5.177 1 0 IKAFRO Cc1cnc(-c2ccc(NC(=O)c3coc4ccc(N5C[C@@H](C)[NH+](C)[C@H](C)C5)cc34)cc2)o1 ZINC000045323394 563130700 /nfs/dbraw/zinc/13/07/00/563130700.db2.gz IYQODWQEDAWPIT-IAGOWNOFSA-N 1 0 444.535 5.177 1 0 IKAFRO Cc1ccc(NC(=O)c2ccc(CN3CCC[N@H+](CC4CCCCC4)CC3)cc2)cc1F ZINC000045323984 563130803 /nfs/dbraw/zinc/13/08/03/563130803.db2.gz RXASIHJMQPYSMU-UHFFFAOYSA-N 1 0 437.603 5.474 1 0 IKAFRO CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CC[NH+](CCC3CC3)CC2)cc1 ZINC000045324731 563130895 /nfs/dbraw/zinc/13/08/95/563130895.db2.gz KOPUPIPJZYWCGV-UHFFFAOYSA-N 1 0 435.612 5.277 1 0 IKAFRO O=C(NCc1cccs1)c1ccc(OC2CC[NH+](CC3CCCCC3)CC2)c(Cl)c1 ZINC000045334404 563131083 /nfs/dbraw/zinc/13/10/83/563131083.db2.gz ZIUAVJRQYKPEJN-UHFFFAOYSA-N 1 0 447.044 5.755 1 0 IKAFRO CCN(CCC[NH+]1CCCCC1)c1cc(C)nc(Nc2ccc(C)cc2C(F)(F)F)n1 ZINC000045334668 563131161 /nfs/dbraw/zinc/13/11/61/563131161.db2.gz AKGLYFZMRYHCBH-UHFFFAOYSA-N 1 0 435.538 5.558 1 0 IKAFRO CCN(CCC[NH+]1CCCCC1)c1cc(C)nc(Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000045335570 563131318 /nfs/dbraw/zinc/13/13/18/563131318.db2.gz XXZMNBYJESSXNT-UHFFFAOYSA-N 1 0 445.611 6.023 1 0 IKAFRO Fc1cc2c(cn1)C1(CC[NH+](Cc3ccc(Oc4ccc(F)c(F)c4)cc3)CC1)OC2 ZINC000045350322 563132171 /nfs/dbraw/zinc/13/21/71/563132171.db2.gz JFJGUHDHENWREH-UHFFFAOYSA-N 1 0 426.438 5.313 1 0 IKAFRO C[N@@H+]1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4cc(F)cc(F)c4)c3CC[C@@H]21 ZINC000045355154 563132514 /nfs/dbraw/zinc/13/25/14/563132514.db2.gz UOQCESDGUHFPMW-UKILVPOCSA-N 1 0 425.906 5.925 1 0 IKAFRO NC(=[NH2+])c1cc2c(cccc2O[C@H](COC(=O)Nc2ccccc2)c2ccccc2)s1 ZINC000045355368 563132532 /nfs/dbraw/zinc/13/25/32/563132532.db2.gz OGMFURJUWYVEFV-HXUWFJFHSA-N 1 0 431.517 5.554 1 0 IKAFRO COC(=O)[C@@H](Oc1cccc(-c2ccc3sc(C(N)=[NH2+])cc3c2)c1)c1ccc(F)cc1 ZINC000045356455 563132592 /nfs/dbraw/zinc/13/25/92/563132592.db2.gz ZZDYUWKZQWIMOJ-QFIPXVFZSA-N 1 0 434.492 5.285 1 0 IKAFRO NC(=[NH2+])c1cc2c(cccc2O[C@@H](COC(=O)Nc2ccc(F)cc2)c2ccccc2)s1 ZINC000045358260 563132798 /nfs/dbraw/zinc/13/27/98/563132798.db2.gz IOTRRXDZDXKPBV-FQEVSTJZSA-N 1 0 449.507 5.693 1 0 IKAFRO C[C@H](CCCCOCCc1ccccc1)[NH2+]C[C@H](O)c1cc(Cl)c(N)c(Cl)c1 ZINC000045357977 563132841 /nfs/dbraw/zinc/13/28/41/563132841.db2.gz SGNYRPBAZJEXOO-IERDGZPVSA-N 1 0 425.400 5.017 1 0 IKAFRO OC1(c2ccc(Cl)cc2)CC[NH+](CCCN(Cc2ccccc2)c2ccccc2)CC1 ZINC000045367315 563133133 /nfs/dbraw/zinc/13/31/33/563133133.db2.gz AUDBARVEWYIQPU-UHFFFAOYSA-N 1 0 435.011 5.720 1 0 IKAFRO C[N@H+]1[C@@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@H](OC(=O)c1cccs1)c1ccccc1 ZINC000045386122 563133823 /nfs/dbraw/zinc/13/38/23/563133823.db2.gz ZOSWTNNYZMNHNS-CUYJMHBOSA-N 1 0 447.600 6.162 1 0 IKAFRO CCCCn1c2ccccc2c2cc[n+](Cc3ccccc3)c(/C=C/c3ccc(OC)cc3)c21 ZINC000045496314 563134435 /nfs/dbraw/zinc/13/44/35/563134435.db2.gz MCMVOSIWLPKGEG-KNTRCKAVSA-N 1 0 447.602 7.109 1 0 IKAFRO O=C(Nc1ccc2[nH]cc(C3CCN(CC[NH+]4CCCCC4)CC3)c2c1)c1ccc(F)cc1 ZINC000045497842 563134619 /nfs/dbraw/zinc/13/46/19/563134619.db2.gz WUKJFFSFJUWZQU-UHFFFAOYSA-N 1 0 448.586 5.225 1 0 in-vitro IKAFRO CCC[NH+](CCC)Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C ZINC000049034589 563136108 /nfs/dbraw/zinc/13/61/08/563136108.db2.gz BYSFWEDJFJGYTB-UHFFFAOYSA-N 1 0 440.941 6.344 1 0 IKAFRO COc1ccc(CC2CC[NH+](C[C@@H](O)COc3cccc4[nH]c5ccccc5c43)CC2)cc1 ZINC000049035196 563136220 /nfs/dbraw/zinc/13/62/20/563136220.db2.gz GYVPBQWEZRVOPO-JOCHJYFZSA-N 1 0 444.575 5.024 1 0 IKAFRO CCCC[N@@H+]1CC[C@@H](CC[C@H](O)c2ccnc3ccc(OCCC(C)C)cc32)[C@@H](CC)C1 ZINC000052996426 563140946 /nfs/dbraw/zinc/14/09/46/563140946.db2.gz PMKWABGHXQZTGO-JWZKTCGFSA-N 1 0 440.672 6.622 1 0 IKAFRO CC[NH+](CC)CCCNCc1cc2c3ccccc3n(Cc3cccc(Cl)c3)c2cn1 ZINC000053297624 563141909 /nfs/dbraw/zinc/14/19/09/563141909.db2.gz UBXKMTCHPNSGFO-UHFFFAOYSA-N 1 0 435.015 5.713 1 0 IKAFRO CCCc1nc(-c2ccccc2)c(C[NH2+]CCCN2CCN(c3cccc(C)c3C)CC2)o1 ZINC000053297627 563141920 /nfs/dbraw/zinc/14/19/20/563141920.db2.gz WEMHSCWXHCJWNO-UHFFFAOYSA-N 1 0 446.639 5.213 1 0 IKAFRO C[NH+]1CCN(c2ccc(Nc3ccnc4ccc(-c5cccc(Cl)c5)cc43)cc2)CC1 ZINC000058537952 563144152 /nfs/dbraw/zinc/14/41/52/563144152.db2.gz XBVRPTCUVVCGKN-UHFFFAOYSA-N 1 0 428.967 6.051 1 0 IKAFRO Clc1cccc(N2CC[NH+](CCCCNc3nccc4ccccc43)CC2)c1Cl ZINC000058575940 563144855 /nfs/dbraw/zinc/14/48/55/563144855.db2.gz DPAGUJADGMJVKD-UHFFFAOYSA-N 1 0 429.395 5.556 1 0 IKAFRO CC[N@@H+]1CC[C@]2(c3cccc(OC)c3)Cc3nc4ccccc4c(-c4ccccc4)c3C[C@H]2C1 ZINC000058589954 563145333 /nfs/dbraw/zinc/14/53/33/563145333.db2.gz UEGULVGUPOVLGQ-QXNWPYRLSA-N 1 0 448.610 6.289 1 0 IKAFRO O=C1Nc2cccc3c2[C@@]1(CCCC[N@H+]1CC=C(c2c[nH]c4ncccc24)CC1)CCC3 ZINC000059696268 563146608 /nfs/dbraw/zinc/14/66/08/563146608.db2.gz RXGHVKULHGGCKH-HHHXNRCGSA-N 1 0 426.564 5.049 1 0 IKAFRO [NH3+][C@H](COCc1ccccc1)c1csc(Nc2ccc(C(=O)c3ccccc3)cc2)n1 ZINC000061896348 563147361 /nfs/dbraw/zinc/14/73/61/563147361.db2.gz CWTZLAMFZDSZCS-JOCHJYFZSA-N 1 0 429.545 5.334 3 0 IKAFRO [NH3+][C@@H](CCc1ccccc1)c1csc(NC(=O)Nc2ccccc2Oc2ccccc2)n1 ZINC000061902417 563147768 /nfs/dbraw/zinc/14/77/68/563147768.db2.gz NWCNCPBWKMSUBJ-FQEVSTJZSA-N 1 0 444.560 6.212 3 0 IKAFRO Cc1cccnc1[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000061904853 563148274 /nfs/dbraw/zinc/14/82/74/563148274.db2.gz CDUAOFULRHOUCU-VWLOTQADSA-N 1 0 433.983 5.161 3 0 IKAFRO [NH3+][C@@H](Cc1ccc(F)cc1)c1csc(NC(=O)NC(c2ccccc2)c2ccccc2)n1 ZINC000061905515 563148410 /nfs/dbraw/zinc/14/84/10/563148410.db2.gz ASEJWTLIHNZVEB-NRFANRHFSA-N 1 0 446.551 5.436 3 0 IKAFRO CC(C)c1ccccc1NC(=O)Nc1nc([C@H]([NH3+])Cc2ccc(C(F)(F)F)cc2)cs1 ZINC000061907257 563148722 /nfs/dbraw/zinc/14/87/22/563148722.db2.gz XGDQASHXOSFDIP-QGZVFWFLSA-N 1 0 448.514 6.172 3 0 IKAFRO COc1ccc(C[C@@H]([NH3+])c2csc(NC(=O)C(c3ccccc3)c3ccccc3)n2)cc1 ZINC000061908485 563148979 /nfs/dbraw/zinc/14/89/79/563148979.db2.gz BSTUJGAMPLCRPN-JOCHJYFZSA-N 1 0 443.572 5.165 3 0 IKAFRO O=C(NCC1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1[N@@H+]2Cc1ccco1)c1ccncc1 ZINC000061921163 563149151 /nfs/dbraw/zinc/14/91/51/563149151.db2.gz JOXSSPOBISNYIG-RBJSKKJNSA-N 1 0 449.554 5.448 3 0 IKAFRO Cc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(-c4ccc(F)cc4)nn3)C[N@@H+]2Cc2cccs2)cc1 ZINC000061923680 563149554 /nfs/dbraw/zinc/14/95/54/563149554.db2.gz MOOQRFHZJWKCHK-DSITVLBTSA-N 1 0 448.567 5.003 3 0 IKAFRO O[C@@H]1C[N@H+](CC2CCCCC2)[C@@H](c2ccccc2)C[C@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000061923972 563149646 /nfs/dbraw/zinc/14/96/46/563149646.db2.gz NVLOOEBBXPYQSB-TWJOJJKGSA-N 1 0 434.559 5.014 3 0 IKAFRO Cc1ccc([C@H]2C[C@@H](n3cc(-c4ccc(F)cc4)nn3)[C@H](O)C[N@@H+]2CC2CCCCC2)cc1 ZINC000061923960 563149648 /nfs/dbraw/zinc/14/96/48/563149648.db2.gz OIGNBZIMZUYPRD-ZONZVBGPSA-N 1 0 448.586 5.322 3 0 IKAFRO COc1ccc([C@@H](NC(=O)C2CC[NH+](CCCc3ccccc3)CC2)c2cccs2)cc1 ZINC000061926980 563150038 /nfs/dbraw/zinc/15/00/38/563150038.db2.gz NOUMVLRCHJEPFW-AREMUKBSSA-N 1 0 448.632 5.307 3 0 IKAFRO COc1ccc(C[C@H]([NH3+])c2csc(Nc3ccc(C(=O)c4ccccc4)cc3)n2)cc1 ZINC000061927497 563150208 /nfs/dbraw/zinc/15/02/08/563150208.db2.gz QZJFSNCMOFRCRL-QFIPXVFZSA-N 1 0 429.545 5.369 3 0 IKAFRO CC(C)C[N@@H+]1CC2(CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000062213047 563152067 /nfs/dbraw/zinc/15/20/67/563152067.db2.gz CRJZLZIFNPMFEE-QFIPXVFZSA-N 1 0 447.957 5.945 1 0 IKAFRO O=S(=O)(Cc1cc(Cl)cc(Cl)c1)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000064277722 563152581 /nfs/dbraw/zinc/15/25/81/563152581.db2.gz GIMVWSSMBYUNSF-NRFANRHFSA-N 1 0 441.424 5.030 1 0 IKAFRO Oc1ccc2nc(-c3ccccc3)n(Cc3ccc(OCC[NH+]4CCCCC4)cc3)c2c1 ZINC000064428959 563152942 /nfs/dbraw/zinc/15/29/42/563152942.db2.gz GMZOUUGFWPQXRQ-UHFFFAOYSA-N 1 0 427.548 5.322 1 0 IKAFRO Clc1ccc(C[N@H+](CCn2ccnc2)CCn2ccnc2-c2ccccc2)c(Cl)c1 ZINC000064510215 563153937 /nfs/dbraw/zinc/15/39/37/563153937.db2.gz KQRHAQXYOXIUTO-UHFFFAOYSA-N 1 0 440.378 5.256 1 0 IKAFRO COc1ccc2cc(C[NH2+]CCc3ccc(Br)cc3)c(-c3cccnc3)nc2c1 ZINC000064540133 563155232 /nfs/dbraw/zinc/15/52/32/563155232.db2.gz GRNIBBYJCDZHSL-UHFFFAOYSA-N 1 0 448.364 5.400 1 0 IKAFRO O=c1ccc2cc(C[NH2+]CCc3ccc(Br)cc3)c(-c3ccsc3)[nH]c-2c1 ZINC000064548335 563155412 /nfs/dbraw/zinc/15/54/12/563155412.db2.gz AOKMPEUHFZVJJB-UHFFFAOYSA-N 1 0 439.378 5.764 1 0 IKAFRO Cc1cc(C)c(-c2ccc3c(c2)[C@H]([NH+]2CCN(C)CC2)Cc2ccccc2S3)c(C)c1 ZINC000064549323 563155626 /nfs/dbraw/zinc/15/56/26/563155626.db2.gz XNFVTFMFMPGVGG-RUZDIDTESA-N 1 0 428.645 6.275 1 0 IKAFRO CC(C)(C(=O)Nc1ccc(N2CCC([NH2+]CC3CC3)CC2)c(Cl)c1)c1ccccc1 ZINC000064559035 563155919 /nfs/dbraw/zinc/15/59/19/563155919.db2.gz ISJDSDZIGNFKNR-UHFFFAOYSA-N 1 0 426.004 5.225 1 0 IKAFRO CC(C)(C(=O)Nc1ccc(N2CCC([NH+]3CCCCC3)CC2)c(Cl)c1)c1ccccc1 ZINC000064559560 563156095 /nfs/dbraw/zinc/15/60/95/563156095.db2.gz WJCNUUYTAXRACE-UHFFFAOYSA-N 1 0 440.031 5.711 1 0 IKAFRO CCn1c2cc[nH+]cc2c2cc(NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)ccc21 ZINC000064573418 563156372 /nfs/dbraw/zinc/15/63/72/563156372.db2.gz SPURQVIDMQXGPC-UHFFFAOYSA-N 1 0 443.528 5.803 1 0 IKAFRO FC(F)(F)c1cccc(CN[C@H]2CCCC[C@@H]2[NH2+]Cc2cccc(C(F)(F)F)c2)c1 ZINC000066075525 563157407 /nfs/dbraw/zinc/15/74/07/563157407.db2.gz LSCMYPHZDZQLEO-PMACEKPBSA-N 1 0 430.436 5.915 1 0 IKAFRO FC(F)(F)c1ccccc1CN[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000066097774 563157949 /nfs/dbraw/zinc/15/79/49/563157949.db2.gz BRSPKADPJUUTJG-WOJBJXKFSA-N 1 0 430.436 5.915 1 0 IKAFRO FC(F)(F)c1ccccc1CN[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000066097768 563157967 /nfs/dbraw/zinc/15/79/67/563157967.db2.gz BRSPKADPJUUTJG-BGYRXZFFSA-N 1 0 430.436 5.915 1 0 IKAFRO O=C(CC[NH+]1CC(c2ccccc2)C1)N1CCC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000066098069 563158017 /nfs/dbraw/zinc/15/80/17/563158017.db2.gz MQBNGWMSHDSFPJ-NRFANRHFSA-N 1 0 443.378 5.023 1 0 IKAFRO FC(F)(F)c1cccc(CN[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C(F)(F)F)c2)c1 ZINC000066097778 563158041 /nfs/dbraw/zinc/15/80/41/563158041.db2.gz LSCMYPHZDZQLEO-WOJBJXKFSA-N 1 0 430.436 5.915 1 0 IKAFRO O=C(CCC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)N[C@H](c1ccccc1)N2 ZINC000066099402 563158129 /nfs/dbraw/zinc/15/81/29/563158129.db2.gz KGNFAYMSUAICCE-MUUNZHRXSA-N 1 0 425.576 6.098 1 0 IKAFRO COc1cc(C)c2c(n1)c(N[C@H](C)CCC[NH3+])cc(OC)c2-c1ccc(Cl)c(Cl)c1 ZINC000066100884 563158281 /nfs/dbraw/zinc/15/82/81/563158281.db2.gz KFMZQSMDWARXSR-CQSZACIVSA-N 1 0 448.394 6.074 1 0 IKAFRO COc1cc(C)c2c(n1)c(N[C@@H](C)CCC[NH3+])cc(OC)c2-c1ccc(Cl)c(Cl)c1 ZINC000066100883 563158288 /nfs/dbraw/zinc/15/82/88/563158288.db2.gz KFMZQSMDWARXSR-AWEZNQCLSA-N 1 0 448.394 6.074 1 0 IKAFRO O=c1cc(OCc2ccc3ccccc3c2)ccn1-c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000066262327 563160795 /nfs/dbraw/zinc/16/07/95/563160795.db2.gz OLOYPXPKAJGIQP-UHFFFAOYSA-N 1 0 440.543 5.044 1 0 IKAFRO c1ccc2c(c1)c1cnc(Nc3ccc(N4CC[NH2+]CC4)cc3)nc1n2C1CCCCC1 ZINC000068149936 563160994 /nfs/dbraw/zinc/16/09/94/563160994.db2.gz WJVUVSWJHMODPQ-UHFFFAOYSA-N 1 0 426.568 5.243 1 0 IKAFRO O=C(NC1CC[NH+]([C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1)c1ccccc1 ZINC000072101504 563162692 /nfs/dbraw/zinc/16/26/92/563162692.db2.gz YEORLIJMLHGUGF-HSZRJFAPSA-N 1 0 439.481 5.084 1 0 IKAFRO CC[NH+](CC)CCCNCc1nccc2c3ccccc3n(Cc3cccc(Cl)c3)c21 ZINC000072104671 563162894 /nfs/dbraw/zinc/16/28/94/563162894.db2.gz OTUOURSZTIZIST-UHFFFAOYSA-N 1 0 435.015 5.713 1 0 IKAFRO COc1ccc(-c2nc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)co2)cc1 ZINC000072142309 563164732 /nfs/dbraw/zinc/16/47/32/563164732.db2.gz SIYCBHLSNHNUFB-UHFFFAOYSA-N 1 0 439.559 5.257 1 0 IKAFRO CC(C)(C)OC(=O)NC1CC[NH+]([C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072142891 563164859 /nfs/dbraw/zinc/16/48/59/563164859.db2.gz GUGSPZGZKPVEFS-HXUWFJFHSA-N 1 0 435.490 5.179 1 0 IKAFRO Nc1[nH+]ccc2c1ccn2-c1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000072178103 563166197 /nfs/dbraw/zinc/16/61/97/563166197.db2.gz AIGABOHCQSRRPI-UHFFFAOYSA-N 1 0 445.832 5.924 1 0 IKAFRO O=C(N[C@H](c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1)c1ccc2cnc(Cl)cc2c1 ZINC000072178718 563166264 /nfs/dbraw/zinc/16/62/64/563166264.db2.gz UVUBWDHJWHNJKU-NRFANRHFSA-N 1 0 448.781 5.666 1 0 IKAFRO CCN(Cc1coc(-c2ccc(OC(F)(F)F)cc2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072182407 563167427 /nfs/dbraw/zinc/16/74/27/563167427.db2.gz FJBCUMMNSGNIKH-NRFANRHFSA-N 1 0 445.485 5.337 1 0 IKAFRO Fc1ccc(N2CCC([NH2+][C@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)cc1F ZINC000072185966 563168165 /nfs/dbraw/zinc/16/81/65/563168165.db2.gz SJKVFHRZIIRNIE-HSZRJFAPSA-N 1 0 431.889 5.500 1 0 IKAFRO Fc1cc(Cl)ccc1N1CCC([NH2+][C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000072186467 563168282 /nfs/dbraw/zinc/16/82/82/563168282.db2.gz JLLMEXHLPNTIKG-QHCPKHFHSA-N 1 0 430.354 5.876 1 0 IKAFRO Fc1ccccc1OC1CC[NH+]([C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072186296 563168300 /nfs/dbraw/zinc/16/83/00/563168300.db2.gz XBVPAFMFTNIRSV-HSZRJFAPSA-N 1 0 430.445 5.872 1 0 IKAFRO FC(F)(F)c1ccc([C@H](c2cccnc2)[NH+]2CCC(Oc3cccc(Cl)c3)CC2)cc1 ZINC000072186538 563168302 /nfs/dbraw/zinc/16/83/02/563168302.db2.gz IKQCMZKZSSCULQ-HSZRJFAPSA-N 1 0 446.900 6.387 1 0 IKAFRO Cc1cc(NC(=O)C2CC[NH2+]CC2)nn1Cc1cc(Cl)cc2cc(-c3ccccc3)oc21 ZINC000073156850 563169133 /nfs/dbraw/zinc/16/91/33/563169133.db2.gz SVOBRLDKQPZJLF-UHFFFAOYSA-N 1 0 448.954 5.245 1 0 IKAFRO CC(=O)N1CCc2ccc(C(=O)CCC[NH+]3CCC(c4ccc(Cl)cc4)CC3)cc2C1 ZINC000073156209 563169135 /nfs/dbraw/zinc/16/91/35/563169135.db2.gz UDQZYDOXQICQED-UHFFFAOYSA-N 1 0 438.999 5.087 1 0 IKAFRO CC(=O)N1CCc2sc(C(=O)CCC[NH+]3CCC(c4ccc(Cl)cc4)CC3)cc2C1 ZINC000073169303 563169775 /nfs/dbraw/zinc/16/97/75/563169775.db2.gz FSJQUAGEBVKGNR-UHFFFAOYSA-N 1 0 445.028 5.149 1 0 IKAFRO C[C@@H](c1ccc(-c2ccccc2)cc1)[C@H]([NH3+])C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)F ZINC000073223138 563170918 /nfs/dbraw/zinc/17/09/18/563170918.db2.gz DOKSCYFGEKEGCR-RXYZOABWSA-N 1 0 428.910 5.560 1 0 IKAFRO CS(=O)(=O)n1c2ccccc2c2cc(C[NH+]3CCC4(C=Cc5ccccc54)CC3)ccc21 ZINC000073224935 563171053 /nfs/dbraw/zinc/17/10/53/563171053.db2.gz QFVOAKYOLSAVBQ-UHFFFAOYSA-N 1 0 442.584 5.163 1 0 IKAFRO CC[N@H+]1CC(=Cc2ccc(Cl)cc2)C2=NC(=S)N[C@H](c3ccc(Cl)cc3)C2C1 ZINC000073316851 563172495 /nfs/dbraw/zinc/17/24/95/563172495.db2.gz RXWPIGBFPHRQQY-MBNYPGIVSA-N 1 0 430.404 5.185 1 0 IKAFRO CC[N@H+]1CC(=Cc2ccc(Cl)cc2)C2=NC(=S)N[C@@H](c3ccc(Cl)cc3)C2C1 ZINC000073316848 563172517 /nfs/dbraw/zinc/17/25/17/563172517.db2.gz RXWPIGBFPHRQQY-PRDNPTHXSA-N 1 0 430.404 5.185 1 0 IKAFRO C[NH+](C)CCCc1cccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=S)C3)c1 ZINC000082156914 563173704 /nfs/dbraw/zinc/17/37/04/563173704.db2.gz QUFVOKRHVJFMNM-UHFFFAOYSA-N 1 0 438.000 5.330 1 0 IKAFRO CCCC[C@@H](O)C[NH+]1CCC(COc2cccc(C(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000084652119 563174926 /nfs/dbraw/zinc/17/49/26/563174926.db2.gz SRLPHDVDVZJJJW-HSZRJFAPSA-N 1 0 429.988 5.213 1 0 IKAFRO CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@H]2[C@H]3CC4=C(CCCC4)[C@@]2(CC[N@@H+]3CC2CC2)C1 ZINC000084671708 563175351 /nfs/dbraw/zinc/17/53/51/563175351.db2.gz PVLNUKRKZJPSBR-UZCYFLASSA-N 1 0 434.624 5.665 1 0 IKAFRO Cc1ccccc1SC[C@@H](O)C[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000084690817 563176524 /nfs/dbraw/zinc/17/65/24/563176524.db2.gz KVJLRXYMXBYASK-SANMLTNESA-N 1 0 447.644 5.096 1 0 IKAFRO COc1cc2ccc(OCc3ccc(C(F)(F)F)cc3)nc2c(N[C@@H](C)CCC[NH3+])c1 ZINC000084733301 563178770 /nfs/dbraw/zinc/17/87/70/563178770.db2.gz CDYXILFIOOEOSW-HNNXBMFYSA-N 1 0 433.474 5.381 1 0 IKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2nc(C)ccc2c1Oc1cccc(C(F)(F)F)c1 ZINC000084742182 563179276 /nfs/dbraw/zinc/17/92/76/563179276.db2.gz QPIKUOYDUVBAIE-AWEZNQCLSA-N 1 0 433.474 5.902 1 0 IKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2nc(C)ccc2c1Oc1cccc(C(F)(F)F)c1 ZINC000084742184 563179310 /nfs/dbraw/zinc/17/93/10/563179310.db2.gz QPIKUOYDUVBAIE-CQSZACIVSA-N 1 0 433.474 5.902 1 0 IKAFRO COc1ccc(C2CCN(C(=O)Nc3ccc4cc(C[NH+]5CCCC5)cnc4c3)CC2)cc1 ZINC000084758907 563179758 /nfs/dbraw/zinc/17/97/58/563179758.db2.gz OHSXHWRMAMCPHA-UHFFFAOYSA-N 1 0 444.579 5.251 1 0 IKAFRO CC/C(=C(\c1ccc(O)cc1)c1ccc(OCC[NH2+]C)cc1)c1ccc([C@H](C)CO)cc1 ZINC000084804550 563179889 /nfs/dbraw/zinc/17/98/89/563179889.db2.gz SKLQATVWFJCHAN-MLEWXOFZSA-N 1 0 431.576 5.455 1 0 IKAFRO Clc1cccc(N2CCC[N@H+](CCCOc3ccc4scnc4c3)CC2)c1Cl ZINC000095553137 563180953 /nfs/dbraw/zinc/18/09/53/563180953.db2.gz QVTRXUDCQFWWGV-UHFFFAOYSA-N 1 0 436.408 5.584 1 0 IKAFRO CO[C@H]1Cc2cc(-c3ccc(C(C)=O)cc3)sc2C2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000095554159 563181062 /nfs/dbraw/zinc/18/10/62/563181062.db2.gz SUUYLWKDFAAXFF-RUZDIDTESA-N 1 0 447.600 5.654 1 0 IKAFRO O=C(c1cccc2ccccc21)N(CC[N@H+]1CC=C(c2ccccc2)CC1)c1ccccn1 ZINC000095554080 563181082 /nfs/dbraw/zinc/18/10/82/563181082.db2.gz NWFGLAPRAYASEM-UHFFFAOYSA-N 1 0 433.555 5.671 1 0 IKAFRO c1sc(-c2cccc3ccccc32)c2c1C1(CC[NH+](Cc3ccccc3)CC1)OCC2 ZINC000095555642 563181324 /nfs/dbraw/zinc/18/13/24/563181324.db2.gz DLLJEHZSNRQWTK-UHFFFAOYSA-N 1 0 425.597 6.632 1 0 IKAFRO Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)C[NH2+]Cc3cc(O)cc4ccccc43)C[C@@H]1O2 ZINC000095557312 563181661 /nfs/dbraw/zinc/18/16/61/563181661.db2.gz ZANSAHDRCKEXGS-QDKQFYOWSA-N 1 0 431.532 5.177 1 0 IKAFRO c1ccc([C@H](c2ccc(CCCN3CC[NH2+]CC3)cc2)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000095561859 563182479 /nfs/dbraw/zinc/18/24/79/563182479.db2.gz NLPCIAQGLDYVHC-PHPBTLJDSA-N 1 0 428.664 5.873 1 0 IKAFRO Cn1c(CNc2ccnc3cc(Cl)ccc32)nc(-c2ccccc2)c1C[NH+]1CCCC1 ZINC000095562409 563182685 /nfs/dbraw/zinc/18/26/85/563182685.db2.gz AAWUYTWRCPGEKD-UHFFFAOYSA-N 1 0 431.971 5.497 1 0 IKAFRO O=C(Nc1ccccc1)N1CCCC[N@@H+]2[C@@H](CO)[C@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2C1 ZINC000095570978 563184432 /nfs/dbraw/zinc/18/44/32/563184432.db2.gz NTFQFSHLJSOGIX-GMQQYTKMSA-N 1 0 445.607 5.101 1 0 IKAFRO Cc1cccc(-c2cc(Nc3ccc4[nH+]c(-c5ccc(F)cc5)cc(N)c4c3)nc(N)n2)c1 ZINC000095579426 563186996 /nfs/dbraw/zinc/18/69/96/563186996.db2.gz VGTPLDSCVJRGPN-UHFFFAOYSA-N 1 0 436.494 5.714 1 0 IKAFRO CN1c2ccccc2C(=O)N(c2ccccc2)[C@H]1c1ccc(C[NH2+]Cc2ccccc2)s1 ZINC000095584805 563188615 /nfs/dbraw/zinc/18/86/15/563188615.db2.gz TYXPKGCJOAUAFW-SANMLTNESA-N 1 0 439.584 5.833 1 0 IKAFRO Cc1ccc2c(Cl)cc(Cl)c(OC[C@H](C)CC[NH2+]Cc3ccc(Cl)cc3)c2n1 ZINC000095596231 563191449 /nfs/dbraw/zinc/19/14/49/563191449.db2.gz LHAKHSWZPZVEAS-CQSZACIVSA-N 1 0 437.798 6.698 1 0 IKAFRO O=C1CCCN1C1CC[NH+](Cc2coc3cc(Oc4nc5ccccc5s4)ccc23)CC1 ZINC000095596504 563191520 /nfs/dbraw/zinc/19/15/20/563191520.db2.gz QBEVTSZSJWVEJZ-UHFFFAOYSA-N 1 0 447.560 5.422 1 0 IKAFRO Cc1cccc(C)c1NC(=O)[C@H](c1cc2ccccc2o1)[NH+]1CCC(c2ccccc2)CC1 ZINC000095602040 563193034 /nfs/dbraw/zinc/19/30/34/563193034.db2.gz CRJBUTSTAXMPMP-NDEPHWFRSA-N 1 0 438.571 6.609 3 0 IKAFRO Cc1cc2c(cccc2OC[C@@H](O)C[N@H+]2CC[C@@H](c3ccc4ccccc4c3)C[C@@H]2C)[nH]1 ZINC000095607318 563194126 /nfs/dbraw/zinc/19/41/26/563194126.db2.gz OUZJKCQKRYTCEF-AMDXRBSFSA-N 1 0 428.576 5.637 1 0 IKAFRO C[N@@H+]1CCCC[C@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1 ZINC000095605870 563194133 /nfs/dbraw/zinc/19/41/33/563194133.db2.gz FVMGZIMTEZPJGA-NRFANRHFSA-N 1 0 445.447 6.295 1 0 IKAFRO CNc1cc(NC(=O)OC)ccc1Nc1c2c([nH+]c3c1C=CCC3(C)C)CC(C)(C)C=C2 ZINC000095607854 563194237 /nfs/dbraw/zinc/19/42/37/563194237.db2.gz ZSKFOPXCRHTMTC-UHFFFAOYSA-N 1 0 432.568 6.335 1 0 IKAFRO Cc1ccsc1-c1cc2nnc(Nc3ccc(OCC[NH+]4CCCC4)cc3)nc2cc1C ZINC000096167756 563195227 /nfs/dbraw/zinc/19/52/27/563195227.db2.gz HBZQYPONHIOCGX-UHFFFAOYSA-N 1 0 445.592 5.588 1 0 IKAFRO c1ccc(C[NH2+]Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1 ZINC000096173996 563196071 /nfs/dbraw/zinc/19/60/71/563196071.db2.gz GCGNWKPWIYOIPR-UHFFFAOYSA-N 1 0 430.515 5.343 1 0 IKAFRO CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(N2CC[NH2+]CC2)cc1 ZINC000096269952 563196632 /nfs/dbraw/zinc/19/66/32/563196632.db2.gz GOUCINWZTCZKDS-UHFFFAOYSA-N 1 0 445.567 5.225 1 0 IKAFRO OC[C@@H]1CCCC[N@@H+]1CCc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000096273977 563196933 /nfs/dbraw/zinc/19/69/33/563196933.db2.gz CPYIRTLNSVPIRY-VWLOTQADSA-N 1 0 443.616 6.096 1 0 IKAFRO OC[C@H]1CCCC[N@@H+]1CCc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000096273976 563196956 /nfs/dbraw/zinc/19/69/56/563196956.db2.gz CPYIRTLNSVPIRY-RUZDIDTESA-N 1 0 443.616 6.096 1 0 IKAFRO C[n+]1ccc(Nc2cccc(NC(=O)c3ccc(Nc4ccnc5ccccc54)cc3)c2)cc1 ZINC000096927669 563198170 /nfs/dbraw/zinc/19/81/70/563198170.db2.gz QMQOSWINFHQBOV-UHFFFAOYSA-O 1 0 446.534 5.799 1 0 IKAFRO C[n+]1ccc(Nc2cccc(C(=O)Nc3ccc(Nc4ccnc5ccccc54)cc3)c2)cc1 ZINC000096927675 563198177 /nfs/dbraw/zinc/19/81/77/563198177.db2.gz VOYLLADYILZQAL-UHFFFAOYSA-O 1 0 446.534 5.799 1 0 IKAFRO Cc1cc(N2CC[C@@H]([N@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000096929243 563198497 /nfs/dbraw/zinc/19/84/97/563198497.db2.gz LVSMVMIVTXOMHK-HRAATJIYSA-N 1 0 432.395 5.617 1 0 IKAFRO Cc1cc(=O)oc2cc(OCCCC[NH+]3CCC(c4nc5ccccc5s4)CC3)ccc12 ZINC000096929505 563198665 /nfs/dbraw/zinc/19/86/65/563198665.db2.gz ZEYNKOPSYUKEHI-UHFFFAOYSA-N 1 0 448.588 5.750 1 0 IKAFRO Brc1cccc(Nc2ncnc3ccc(NCCC[NH+]4CCCCC4)cc32)c1 ZINC000096933194 563199039 /nfs/dbraw/zinc/19/90/39/563199039.db2.gz CMIAMHVCKPWEGD-UHFFFAOYSA-N 1 0 440.389 5.424 1 0 IKAFRO CC(C)(C)c1ccc(-c2nc(SCCC[NH+]3CCN(c4ccccc4)CC3)n[nH]2)cc1 ZINC000096934136 563199229 /nfs/dbraw/zinc/19/92/29/563199229.db2.gz RBPCAJASKBJPTB-UHFFFAOYSA-N 1 0 435.641 5.074 1 0 IKAFRO CC(C)(C)O[C@H](CCc1ccccc1)c1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000096941782 563200327 /nfs/dbraw/zinc/20/03/27/563200327.db2.gz FOPMMEATYUWXQX-ZEQKJWHPSA-N 1 0 425.613 5.401 1 0 IKAFRO Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3ccsc3)cc12 ZINC000045385227 581091667 /nfs/dbraw/zinc/09/16/67/581091667.db2.gz VPHOSYHDFSVNET-NRFANRHFSA-N 1 0 440.572 5.611 1 0 IKAFRO CC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCC[N@@H+]1C[C@H]2CC[C@@H]1C2)c1ccccc1 ZINC000028827235 581096494 /nfs/dbraw/zinc/09/64/94/581096494.db2.gz CGVZBCDNJCIMDM-WSNOQYBDSA-N 1 0 437.534 5.081 1 0 IKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(O)c3)O2)[C@@H]2C(C)=CC(C)(C)[NH2+][C@@H]2C=C1 ZINC000087666891 581097645 /nfs/dbraw/zinc/09/76/45/581097645.db2.gz ATJGOPJRRWGHHL-RSDOOSOZSA-N 1 0 429.516 5.176 1 0 IKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(C)c3)O2)[C@H]2C(C)=CC(C)(C)[NH2+][C@@H]2C=C1 ZINC000089780969 581099631 /nfs/dbraw/zinc/09/96/31/581099631.db2.gz OSRXVTVKOPCOGY-QLMJLBGQSA-N 1 0 427.544 5.779 1 0 IKAFRO O=C(CCC[NH+]1CCN(c2ccccc2F)CC1)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000028647170 132226068 /nfs/dbraw/zinc/22/60/68/132226068.db2.gz BBPPNEXSUKQFCZ-UHFFFAOYSA-N 1 0 444.765 5.327 1 0 IKAFRO Cc1nn2c(cccc2-c2ccc(F)cc2)c1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000013438665 132346863 /nfs/dbraw/zinc/34/68/63/132346863.db2.gz NSRMSZBPAQTJBS-UHFFFAOYSA-N 1 0 434.946 5.424 1 0 IKAFRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[n+]1c2ccccc2n(C)c1-c1ccc(Cl)cc1 ZINC000012385086 519825693 /nfs/dbraw/zinc/82/56/93/519825693.db2.gz LHBLJDHSSGIEFY-JLGINSKQSA-N 1 0 440.007 5.790 3 0 IKAFRO CC[C@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(c1nc(-c3ccc(OC)cc3)cs1)[NH2+]2 ZINC000016957500 522993026 /nfs/dbraw/zinc/99/30/26/522993026.db2.gz VJMQHCUMDADTEK-HGQUKEQDSA-N 1 0 425.476 5.072 2 0 IKAFRO O[C@@]1(C(F)(F)F)C2=C(CC[C@@H](c3ccccc3)C2)[NH2+]N1c1nc(-c2ccccc2)cs1 ZINC000035999484 527681473 /nfs/dbraw/zinc/68/14/73/527681473.db2.gz YEJCZMYYHNDOTN-KGVIQGDOSA-N 1 0 443.494 5.821 2 0 IKAFRO COc1cc(C)cc2c1c(OC)cc(C)c2-c1c(OC)cc(OC)c2c1C[C@H](C)[NH2+][C@H]2C ZINC000095486017 560061799 /nfs/dbraw/zinc/06/17/99/560061799.db2.gz WIFADUSQCWLURQ-IRXDYDNUSA-N 1 0 435.564 5.753 1 0 biogenic,in-vitro IKAFRO Cc1cc(F)ccc1Nc1nc2ccc(OCC[NH+](C)C)cc2c(N(C)c2ccccc2)n1 ZINC000000584809 562918196 /nfs/dbraw/zinc/91/81/96/562918196.db2.gz HYNMYGBTSOHIHG-UHFFFAOYSA-N 1 0 445.542 5.529 1 0 IKAFRO COc1ccc2c(c1)CC[C@H]([NH2+]CCc1ccc(OC)c(OC)c1)[C@@H]2Cc1ccccc1 ZINC000000588268 562918234 /nfs/dbraw/zinc/91/82/34/562918234.db2.gz GDPUSTXHHZCBIA-FTJBHMTQSA-N 1 0 431.576 5.186 1 0 IKAFRO CCC[N@@H+](Cc1c(C)nc2n1c1cccnc1n2-c1c(C)cc(C)cc1C)CC1CCC1 ZINC000000595374 562918440 /nfs/dbraw/zinc/91/84/40/562918440.db2.gz PVMIXKYFNVLMST-UHFFFAOYSA-N 1 0 429.612 5.919 1 0 IKAFRO COc1ccc([S@@](=O)c2ccc(C(=O)C3CC[NH+](C4CCCCC4)CC3)cc2)cc1 ZINC000000839059 562919309 /nfs/dbraw/zinc/91/93/09/562919309.db2.gz GTJOIOQFIDFYOI-SSEXGKCCSA-N 1 0 425.594 5.089 1 0 IKAFRO C[N@H+](Cc1ccccc1)Cc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 ZINC000001536443 562922581 /nfs/dbraw/zinc/92/25/81/562922581.db2.gz FMWMUCWMTIOHOR-UHFFFAOYSA-N 1 0 448.545 6.577 1 0 IKAFRO OC(CCC[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccc1)C2)(c1ccccc1)c1ccccc1 ZINC000001641760 562923494 /nfs/dbraw/zinc/92/34/94/562923494.db2.gz WVYHWXIPRDZZRF-FITHBNAOSA-N 1 0 427.588 5.217 1 0 IKAFRO O=C(NCCCCCC[NH2+]Cc1cccc2ccccc21)Nc1cccc2ccccc21 ZINC000001648100 562923712 /nfs/dbraw/zinc/92/37/12/562923712.db2.gz KGSYZKSKBBQYHF-UHFFFAOYSA-N 1 0 425.576 6.465 1 0 IKAFRO FC(F)(F)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)n2C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000001659079 562924133 /nfs/dbraw/zinc/92/41/33/562924133.db2.gz WKYZJMVWIWKDNY-LAUBAEHRSA-N 1 0 447.932 6.640 1 0 IKAFRO Oc1ccc(CCCC[NH2+]CCc2c3ccccc3[nH]c2-c2ccc3ccccc3c2)cc1 ZINC000001893927 562925319 /nfs/dbraw/zinc/92/53/19/562925319.db2.gz YCNJIJOQKNFLQB-UHFFFAOYSA-N 1 0 434.583 6.849 1 0 IKAFRO Cc1c(COc2ccc(F)cc2F)oc2cccc(OCCC[NH2+]Cc3cccnc3)c12 ZINC000001909566 562925379 /nfs/dbraw/zinc/92/53/79/562925379.db2.gz CBKBXWFRVHPWBU-UHFFFAOYSA-N 1 0 438.474 5.552 1 0 IKAFRO Oc1ccc(C2=Cc3ccc(O)cc3O[C@@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000003785807 562937890 /nfs/dbraw/zinc/93/78/90/562937890.db2.gz VFJFQJKZWLXQQX-MUUNZHRXSA-N 1 0 443.543 5.637 1 0 IKAFRO CCCC(=O)c1cnc2c(OCCC[NH+]3CCCC3)cccc2c1Nc1ccccc1C ZINC000003795267 562938143 /nfs/dbraw/zinc/93/81/43/562938143.db2.gz LLNKTFVPLFIAIU-UHFFFAOYSA-N 1 0 431.580 6.134 1 0 IKAFRO O=C(c1ccncc1)N1CCC2(CC1)CC[NH+](C(c1ccccc1)c1ccccc1)CC2 ZINC000003955943 562939991 /nfs/dbraw/zinc/93/99/91/562939991.db2.gz BQQCPELXYAHXBZ-UHFFFAOYSA-N 1 0 425.576 5.189 1 0 IKAFRO Oc1cccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000003962828 562940186 /nfs/dbraw/zinc/94/01/86/562940186.db2.gz CABPHYRAHPMSMC-IZZNHLLZSA-N 1 0 449.572 5.540 1 0 IKAFRO Clc1ccc2c(c1)nccc2NCCCCCCCCCCCC[NH+]1CCCCC1 ZINC000003973592 562940245 /nfs/dbraw/zinc/94/02/45/562940245.db2.gz CTBQWSSPGINCLL-UHFFFAOYSA-N 1 0 430.080 7.687 1 0 IKAFRO FC(F)(F)c1ccc2c(c1)nc(Cc1ccccc1)n2C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000005544498 562944075 /nfs/dbraw/zinc/94/40/75/562944075.db2.gz VYBKTUUDMDGXLT-SIKLNZKXSA-N 1 0 427.514 5.910 1 0 IKAFRO FC(F)(F)c1ccc2c(c1)nc(Cc1ccccc1)n2C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000005544502 562944124 /nfs/dbraw/zinc/94/41/24/562944124.db2.gz VYBKTUUDMDGXLT-UGKGYDQZSA-N 1 0 427.514 5.910 1 0 IKAFRO O=C(NCCCCC[NH+]1CCC2(CCCCC2)CC1)C(C1CCCCC1)C1CCCCC1 ZINC000005566724 562944232 /nfs/dbraw/zinc/94/42/32/562944232.db2.gz TWJNFGULKQMHHN-UHFFFAOYSA-N 1 0 444.748 7.096 1 0 IKAFRO C(CC12CC3CC(CC(C3)C1)C2)N1C2=[NH+]C[C@H](C3CCCCC3)N2C[C@@H]1C1CCCCC1 ZINC000005842438 562945055 /nfs/dbraw/zinc/94/50/55/562945055.db2.gz OHWJHEBEZGFJTG-XRISZJQKSA-N 1 0 437.716 6.478 1 0 IKAFRO C[C@H](CC[C@H]1[NH2+]C1(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000006036463 562946006 /nfs/dbraw/zinc/94/60/06/562946006.db2.gz JDIKVIQXIGRCEN-ACRQZGJISA-N 1 0 441.744 7.263 1 0 IKAFRO CC[NH+](CC)CCCCn1c2nc(C)nc(NC3CCCCC3)c2nc1-c1ccccc1 ZINC000007991838 562948683 /nfs/dbraw/zinc/94/86/83/562948683.db2.gz KDDMNIXNVXQSBR-UHFFFAOYSA-N 1 0 434.632 5.668 1 0 IKAFRO CCCn1c2nc(C)nc(N[C@@H](C)CCC[NH+](CC)CC)c2nc1-c1ccc(F)cc1 ZINC000007991773 562948699 /nfs/dbraw/zinc/94/86/99/562948699.db2.gz OVFPZSJJEOMGTF-KRWDZBQOSA-N 1 0 426.584 5.273 1 0 IKAFRO CC[NH+](CC)CCCn1c(-c2ccccc2)nc2c1nc(C)nc2NCc1ccccc1 ZINC000007991869 562948709 /nfs/dbraw/zinc/94/87/09/562948709.db2.gz RHZGNMCBRMDQIM-UHFFFAOYSA-N 1 0 428.584 5.146 1 0 IKAFRO Cc1nc2c(nc(-c3ccccc3)n2CCC[N@H+]2CCCC[C@H]2C)c(Nc2ccccc2)n1 ZINC000008017426 562948875 /nfs/dbraw/zinc/94/88/75/562948875.db2.gz XTCNVIYDIRTUMB-HXUWFJFHSA-N 1 0 440.595 5.810 1 0 IKAFRO Cc1ccc(-c2cn3c4ccc(C(=O)NCCC[NH+]5CCCCC5)cc4sc3n2)cc1 ZINC000008588639 562950755 /nfs/dbraw/zinc/95/07/55/562950755.db2.gz FIUISZRELFNJBY-UHFFFAOYSA-N 1 0 432.593 5.130 1 0 IKAFRO Cc1oc(-c2cccc(C)c2)nc1C[N@@H+]1CCC[C@@H](C(=O)NCc2ccc(Cl)cc2)C1 ZINC000008597893 562954102 /nfs/dbraw/zinc/95/41/02/562954102.db2.gz SKTJVYWHOWWHIK-OAQYLSRUSA-N 1 0 437.971 5.140 1 0 IKAFRO CC[N@H+](CCCNC(=O)c1ccc2c(c1)nc1c(c2Cl)CCCC1)Cc1ccccc1 ZINC000009636608 562974563 /nfs/dbraw/zinc/97/45/63/562974563.db2.gz YOPQCPNKEFBBFI-UHFFFAOYSA-N 1 0 435.999 5.409 1 0 IKAFRO Cc1cc(C[NH+]2CCC(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)oc1C ZINC000012305460 562981043 /nfs/dbraw/zinc/98/10/43/562981043.db2.gz FLVWLILSGHEXLB-UHFFFAOYSA-N 1 0 428.536 5.290 1 0 IKAFRO O=C1CC[N@H+](CCc2ccccc2)CCN1[C@H](CSc1ccccc1)Cc1ccccc1 ZINC000012474420 562982216 /nfs/dbraw/zinc/98/22/16/562982216.db2.gz LZWVQDGUEMYIHW-SANMLTNESA-N 1 0 444.644 5.167 3 0 IKAFRO O=C(COc1cc(Cl)cc(Cl)c1)N(c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000013437320 562986062 /nfs/dbraw/zinc/98/60/62/562986062.db2.gz QROSISYERPCHRH-UHFFFAOYSA-N 1 0 448.177 5.464 1 0 IKAFRO c1ccc([C@@H]2C[C@H]3[C@H](c4ccccc4)[C@@H](C[NH+]4CCC(c5ccccc5)CC4)CN3O2)cc1 ZINC000013439119 562986140 /nfs/dbraw/zinc/98/61/40/562986140.db2.gz ZQOGOOYTWRIHLO-GCXHJFECSA-N 1 0 438.615 6.027 1 0 IKAFRO O=C(NCCC[NH+]1CCC(Cc2ccc(F)cc2)CC1)Nc1ccccc1C(F)(F)F ZINC000013443487 562986613 /nfs/dbraw/zinc/98/66/13/562986613.db2.gz BKGDSYCWICQSPA-UHFFFAOYSA-N 1 0 437.481 5.311 1 0 IKAFRO O=C(NCCC[NH+]1CCC(Cc2ccc(F)cc2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000013443490 562986657 /nfs/dbraw/zinc/98/66/57/562986657.db2.gz APVMWUNIKUFKIJ-UHFFFAOYSA-N 1 0 437.481 5.311 1 0 IKAFRO COc1cccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000013443608 562986687 /nfs/dbraw/zinc/98/66/87/562986687.db2.gz BSZULKCGCBLLIO-XMMPIXPASA-N 1 0 439.575 5.175 1 0 IKAFRO Nc1[nH]c2cc3c(cc2[nH+]1)CCC[C@@H]3Sc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000013451109 562987361 /nfs/dbraw/zinc/98/73/61/562987361.db2.gz MMVXYUMFIOTUHZ-QFIPXVFZSA-N 1 0 435.574 5.148 1 0 IKAFRO CC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCC[NH2+]C(C)(C)C)cc1 ZINC000013451485 562987393 /nfs/dbraw/zinc/98/73/93/562987393.db2.gz VOPRGIIBFWKUFM-UHFFFAOYSA-N 1 0 428.598 5.053 1 0 IKAFRO O=c1cc(-c2ccccc2)oc2cc(OCCCCCCC[NH+]3CCC(O)CC3)ccc12 ZINC000013454491 562987598 /nfs/dbraw/zinc/98/75/98/562987598.db2.gz WEIVNWQRFIAOTQ-UHFFFAOYSA-N 1 0 435.564 5.246 1 0 IKAFRO O=c1cc(-c2ccccc2)oc2cc(OCCCCCCCC[NH+]3CCC(O)CC3)ccc12 ZINC000013454494 562987603 /nfs/dbraw/zinc/98/76/03/562987603.db2.gz VLRNLXJDYGVNIK-UHFFFAOYSA-N 1 0 449.591 5.636 1 0 IKAFRO O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCCC[NH+]3CCC(O)CC3)cc12 ZINC000013454325 562987605 /nfs/dbraw/zinc/98/76/05/562987605.db2.gz LPJXCFFEPQABJE-UHFFFAOYSA-N 1 0 449.591 5.636 1 0 IKAFRO O=C(Nc1ccccc1)Nc1ccccc1[C@H](O)C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000013475801 562988980 /nfs/dbraw/zinc/98/89/80/562988980.db2.gz VXKVMPBIMSJSTA-AREMUKBSSA-N 1 0 447.554 5.458 1 0 IKAFRO COc1cccc(NC(=O)NCc2ccccc2C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000013475886 562988997 /nfs/dbraw/zinc/98/89/97/562988997.db2.gz KNTROKLIKZWXEX-UHFFFAOYSA-N 1 0 443.591 5.472 1 0 IKAFRO CCOc1c(Br)cc(C)cc1C[NH2+]CCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487771 562989543 /nfs/dbraw/zinc/98/95/43/562989543.db2.gz BIPPRDKHVXKAER-UHFFFAOYSA-N 1 0 444.373 5.002 1 0 IKAFRO O=c1c(Nc2ccc(C(F)(F)F)cc2)cccn1[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000013488456 562989677 /nfs/dbraw/zinc/98/96/77/562989677.db2.gz YDERVMVDVJLMFH-JOCHJYFZSA-N 1 0 427.470 5.296 1 0 IKAFRO COc1ccc([C@H](C[NH+]2CCCC2)n2cccc(-c3ccc(C(F)(F)F)cc3)c2=O)cc1 ZINC000013488446 562989691 /nfs/dbraw/zinc/98/96/91/562989691.db2.gz KKELZZUYLVXWKR-QHCPKHFHSA-N 1 0 442.481 5.228 1 0 IKAFRO COc1cccc2cc(C3CC[NH+](C[C@H](O)COc4cccc5[nH]ccc54)CC3)sc21 ZINC000013490080 562990133 /nfs/dbraw/zinc/99/01/33/562990133.db2.gz PADYMYCKDVBYAD-IBGZPJMESA-N 1 0 436.577 5.011 1 0 IKAFRO Oc1ccc([C@H]2CCc3cc(O)ccc3N2c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000013490112 562990145 /nfs/dbraw/zinc/99/01/45/562990145.db2.gz OWIQDPLCVNXIEI-AREMUKBSSA-N 1 0 430.548 5.398 1 0 IKAFRO Oc1ccc([C@@H]2CCc3cc(O)ccc3N2c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000013490111 562990171 /nfs/dbraw/zinc/99/01/71/562990171.db2.gz OWIQDPLCVNXIEI-SANMLTNESA-N 1 0 430.548 5.398 1 0 IKAFRO COc1ccc2cc(C3CC[NH+](C[C@H](O)COc4cccc5[nH]ccc54)CC3)sc2c1 ZINC000013490079 562990179 /nfs/dbraw/zinc/99/01/79/562990179.db2.gz DERHXBLKPZEOPV-IBGZPJMESA-N 1 0 436.577 5.011 1 0 IKAFRO Cc1cc2c(cccc2OC[C@@H](O)C[NH+]2CCC(c3cc4ccc(C)cc4s3)CC2)[nH]1 ZINC000013490097 562990203 /nfs/dbraw/zinc/99/02/03/562990203.db2.gz IFOQZVZSPDUWKF-NRFANRHFSA-N 1 0 434.605 5.619 1 0 IKAFRO C[C@]1(c2ccc(OCC[NH+]3CCCCC3)cc2)c2ccc(O)cc2CCN1c1ccccc1 ZINC000013523272 562991428 /nfs/dbraw/zinc/99/14/28/562991428.db2.gz AIFWSSWVFCKBHO-LJAQVGFWSA-N 1 0 442.603 5.583 1 0 IKAFRO C[N@H+](CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)cc1)CC1CC1 ZINC000013524781 562991528 /nfs/dbraw/zinc/99/15/28/562991528.db2.gz AWRGQZGNUZZAPP-UHFFFAOYSA-N 1 0 444.413 5.961 1 0 IKAFRO CC[NH+](CC)Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccc2c1-c1ccccc1 ZINC000013525341 562991615 /nfs/dbraw/zinc/99/16/15/562991615.db2.gz BRJQXSHWWUJLBF-UHFFFAOYSA-N 1 0 437.587 6.016 1 0 IKAFRO c1nc(CCCC[NH2+]CCc2c[nH]c(CCC(c3ccccc3)c3ccccc3)n2)c[nH]1 ZINC000013530311 562992042 /nfs/dbraw/zinc/99/20/42/562992042.db2.gz DBKIPTDCISZMBW-UHFFFAOYSA-N 1 0 427.596 5.053 1 0 IKAFRO Fc1ccccc1O[C@@H](CC[NH+]1CCN(c2noc3ccccc32)CC1)c1ccccc1 ZINC000013530530 562992082 /nfs/dbraw/zinc/99/20/82/562992082.db2.gz UUXHFPQOQYHMLD-QHCPKHFHSA-N 1 0 431.511 5.299 1 0 IKAFRO c1[nH]c(CCC(c2ccccc2)c2ccccc2)nc1CC[NH2+]CCCCc1ccccn1 ZINC000013530321 562992093 /nfs/dbraw/zinc/99/20/93/562992093.db2.gz XPTQCQILQOIXEE-UHFFFAOYSA-N 1 0 438.619 5.724 1 0 IKAFRO Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)c3sccc32)cc1 ZINC000013532183 562992168 /nfs/dbraw/zinc/99/21/68/562992168.db2.gz OEFAJMDMCVQKRS-NRFANRHFSA-N 1 0 433.577 5.352 1 0 IKAFRO CC(C)Oc1cc(NC(=O)c2ccc3cc(C(N)=[NH2+])ccc3c2)cc(OC2CCCC2)c1 ZINC000013532814 562992223 /nfs/dbraw/zinc/99/22/23/562992223.db2.gz GKFHRQMCFNIZHA-UHFFFAOYSA-N 1 0 431.536 5.485 1 0 IKAFRO C[C@H]1C[C@H](c2cc3cc(F)ccc3s2)CC[N@@H+]1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000013535663 562992325 /nfs/dbraw/zinc/99/23/25/562992325.db2.gz VXBBUYIZAQUAJB-QKLQHJQFSA-N 1 0 438.568 5.530 1 0 IKAFRO C[C@@H]1C[C@@H](c2cc3cc(F)ccc3s2)CC[N@@H+]1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000013535666 562992339 /nfs/dbraw/zinc/99/23/39/562992339.db2.gz VXBBUYIZAQUAJB-UWVAXJGDSA-N 1 0 438.568 5.530 1 0 IKAFRO Cc1ccc(C(=O)N[C@H](CC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C(C)C)cc1 ZINC000013553775 562992986 /nfs/dbraw/zinc/99/29/86/562992986.db2.gz DLVIZPKIHPEVAO-XMMPIXPASA-N 1 0 447.450 6.359 1 0 IKAFRO Cc1cc2cc(Nc3ccnc4cc(-c5ccc(C[N@H+](C)CCO)cc5)sc43)ccc2[nH]1 ZINC000013588193 562995917 /nfs/dbraw/zinc/99/59/17/562995917.db2.gz CIAUVJBQJHPXQG-UHFFFAOYSA-N 1 0 442.588 5.921 1 0 IKAFRO O=C(NCC/C=C/c1ccccc1)c1ccccc1C[NH2+][C@H]1CCCc2cc(O)ccc2C1 ZINC000013589139 562996227 /nfs/dbraw/zinc/99/62/27/562996227.db2.gz PUNPFCAHQRJZHQ-KDZJVGDTSA-N 1 0 440.587 5.263 1 0 IKAFRO O=C(NCC/C=C/c1ccccc1)c1ccccc1C[N@@H+]1CCCc2cc(O)ccc2C1 ZINC000013589151 562996232 /nfs/dbraw/zinc/99/62/32/562996232.db2.gz JZURDOJGJVJIIC-IZZDOVSWSA-N 1 0 426.560 5.174 1 0 IKAFRO Cc1c(C[NH+]2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)c2ccccc2n1C ZINC000013594295 562996546 /nfs/dbraw/zinc/99/65/46/562996546.db2.gz XUPRUNUGPGVWPP-UHFFFAOYSA-N 1 0 430.514 5.323 3 0 IKAFRO C[N@H+](Cc1ccc(COC(=O)[C@@H](c2ccccc2)C2CCCCC2)o1)Cc1ccccc1 ZINC000013602005 562996878 /nfs/dbraw/zinc/99/68/78/562996878.db2.gz KCHRHVPNTVRPRT-MHZLTWQESA-N 1 0 431.576 6.319 1 0 IKAFRO C[NH+](C)Cc1cccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)c1 ZINC000013610347 562997803 /nfs/dbraw/zinc/99/78/03/562997803.db2.gz LIIRYFLHPZDMEC-UHFFFAOYSA-N 1 0 439.563 5.187 1 0 IKAFRO C[NH+]1CCC(c2c[nH]c3ccc(NS(=O)(=O)c4ccc(-c5ccccc5)cc4)cc32)CC1 ZINC000013611781 562997961 /nfs/dbraw/zinc/99/79/61/562997961.db2.gz YOIWOMIOVRDSRT-UHFFFAOYSA-N 1 0 445.588 5.445 1 0 IKAFRO O=S(=O)(c1cccc2ccccc21)n1ccc2ccc([C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc21 ZINC000013645875 562998734 /nfs/dbraw/zinc/99/87/34/562998734.db2.gz CYKJYRMLQDBGCW-XZOQPEGZSA-N 1 0 430.573 5.373 1 0 IKAFRO O=C(NCCC[NH+]1CCC2(CCc3ccccc32)CC1)c1cccc(Oc2ccccc2)c1 ZINC000013679956 563000845 /nfs/dbraw/zinc/00/08/45/563000845.db2.gz KSNLIWRBJFSDFJ-UHFFFAOYSA-N 1 0 440.587 5.579 1 0 IKAFRO O[C@H](Cc1ccccc1)C[NH+]1CCC(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000013683626 563001009 /nfs/dbraw/zinc/00/10/09/563001009.db2.gz IQMIXHLHNCHBNI-MUUNZHRXSA-N 1 0 429.604 5.498 1 0 IKAFRO Cc1cccc(-c2nn3c(c2-c2ccc4ncn(CCC[NH+]5CCCCC5)c4c2)CCC3)n1 ZINC000013684181 563001164 /nfs/dbraw/zinc/00/11/64/563001164.db2.gz YYAOGZMGXIQAJJ-UHFFFAOYSA-N 1 0 440.595 5.092 1 0 IKAFRO CCOC(=O)[C@H]1CCC[N@H+](CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC000013729560 563001711 /nfs/dbraw/zinc/00/17/11/563001711.db2.gz IONXAOIHSBYWRM-IBGZPJMESA-N 1 0 436.379 5.375 1 0 IKAFRO Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@H]4[C@@H](C2)[N@@H+](CCc2ccccc2)CC[C@]314 ZINC000013729844 563001736 /nfs/dbraw/zinc/00/17/36/563001736.db2.gz ZEFONCRJOSMQGI-JKVWPPNKSA-N 1 0 448.566 5.290 1 0 IKAFRO COc1ccc2c(c1)C(CCC[NH+]1CCN(c3cccc(C(F)(F)F)c3)CC1)=CCC2 ZINC000013733297 563002037 /nfs/dbraw/zinc/00/20/37/563002037.db2.gz CEYYNGCQKHKNRD-UHFFFAOYSA-N 1 0 430.514 5.646 1 0 IKAFRO CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H]([NH2+]Cc1cccs1)c1ccccc1 ZINC000013737298 563002503 /nfs/dbraw/zinc/00/25/03/563002503.db2.gz NYGXWAWOFVVQLI-XMMPIXPASA-N 1 0 435.637 6.648 1 0 IKAFRO CC[N@H+](CCCCCC[C@@H]1Cc2cc(OC)c(OC)cc2C1=O)Cc1ccccc1OC ZINC000013738614 563002871 /nfs/dbraw/zinc/00/28/71/563002871.db2.gz AEFFXIUFESKRQO-HXUWFJFHSA-N 1 0 439.596 5.540 1 0 IKAFRO COc1ccc2c(c1)[C@H](CCC[NH+]1CCN(c3cccc(C(F)(F)F)c3)CC1)CCC2 ZINC000013740695 563003149 /nfs/dbraw/zinc/00/31/49/563003149.db2.gz XGJBTUNWSSZAJD-IBGZPJMESA-N 1 0 432.530 5.736 1 0 IKAFRO O=c1ccc2c(n1CCc1ccccc1)CCC[C@@H]2[NH2+]CCc1ccc(Cl)c(Cl)c1 ZINC000013743298 563003635 /nfs/dbraw/zinc/00/36/35/563003635.db2.gz UAKOKDRCEFACPO-QHCPKHFHSA-N 1 0 441.402 5.608 1 0 IKAFRO Cc1cc(C)cc(CO[C@@H]2C3CC[NH+](CC3)[C@@H]2[C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC000013744538 563003790 /nfs/dbraw/zinc/00/37/90/563003790.db2.gz IGJOBCGNZPJBJN-FRXPANAUSA-N 1 0 425.616 6.309 1 0 IKAFRO COc1cc(C)cc(CO[C@@H]2C3CC[NH+](CC3)[C@@H]2C(c2ccccc2)c2ccccc2)c1 ZINC000013744524 563003833 /nfs/dbraw/zinc/00/38/33/563003833.db2.gz LAMLXQZWIGWWGU-FQLXRVMXSA-N 1 0 427.588 5.815 1 0 IKAFRO COc1cc(C)cc(CO[C@H]2C3CC[NH+](CC3)[C@@H]2C(c2ccccc2)c2ccccc2)c1 ZINC000013744526 563003851 /nfs/dbraw/zinc/00/38/51/563003851.db2.gz LAMLXQZWIGWWGU-WDYNHAJCSA-N 1 0 427.588 5.815 1 0 IKAFRO Fc1ccc(C(OCC2CC[NH+](CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000013746590 563004014 /nfs/dbraw/zinc/00/40/14/563004014.db2.gz YQAUVRIQPVOXOK-UHFFFAOYSA-N 1 0 435.558 6.416 1 0 IKAFRO Cc1cc(C)c(NC(=O)C(C)(C)CCCCCC[NH+]2CCCCC2)c2c1CC(C)(C)O2 ZINC000013747656 563004205 /nfs/dbraw/zinc/00/42/05/563004205.db2.gz ONCMLZSYEBMPOM-UHFFFAOYSA-N 1 0 428.661 6.418 1 0 IKAFRO CCC[NH2+][C@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 ZINC000013757985 563004601 /nfs/dbraw/zinc/00/46/01/563004601.db2.gz IAAWMHDTMSAXJH-VWLOTQADSA-N 1 0 441.575 5.729 1 0 IKAFRO Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCC[C@H]([NH+](C)C)c4ccccc43)cc2)cc1 ZINC000013757967 563004625 /nfs/dbraw/zinc/00/46/25/563004625.db2.gz PHPULJQCMNHJMS-DEOSSOPVSA-N 1 0 427.548 5.291 1 0 IKAFRO C[N@H+](CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CC1CC1 ZINC000013781676 563006730 /nfs/dbraw/zinc/00/67/30/563006730.db2.gz UFVWGMRRQSXBLK-HSZRJFAPSA-N 1 0 432.674 5.293 1 0 IKAFRO C[NH+]1CCN(c2nc3ccccc3c(-c3ccccc3)c2COC(=O)c2ccccc2)CC1 ZINC000013797089 563007458 /nfs/dbraw/zinc/00/74/58/563007458.db2.gz XCIRQPUTPHXDOS-UHFFFAOYSA-N 1 0 437.543 5.011 1 0 IKAFRO COc1cccc(OC)c1OCC[NH2+]C[C@@H]1C(=O)c2ccccc2S[C@H]1c1ccccc1 ZINC000013799481 563007565 /nfs/dbraw/zinc/00/75/65/563007565.db2.gz GAWCPJXNKBSMOF-IBVKSMDESA-N 1 0 449.572 5.018 1 0 IKAFRO CCCOC(=O)c1c(CCC)c(C(=O)SCCCF)c(CC)[n+](C)c1-c1ccccc1 ZINC000013801281 563007885 /nfs/dbraw/zinc/00/78/85/563007885.db2.gz VXXYHVKUGOONJN-UHFFFAOYSA-N 1 0 446.608 5.493 1 0 IKAFRO O=C(c1ccccc1)N(c1ccc(Br)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000013817778 563009608 /nfs/dbraw/zinc/00/96/08/563009608.db2.gz CHMIKIFFWBMPHB-UHFFFAOYSA-N 1 0 449.392 5.761 1 0 IKAFRO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2[nH]c3ccccc3c2[C@H]1C[NH+]1CCCC1 ZINC000013823977 563010341 /nfs/dbraw/zinc/01/03/41/563010341.db2.gz SRBDHMOWSKFOIL-JOCHJYFZSA-N 1 0 442.390 5.239 1 0 IKAFRO Cc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(Cc2ccccc2)c(C)[nH+]1 ZINC000013826896 563010621 /nfs/dbraw/zinc/01/06/21/563010621.db2.gz WQPUSSFOHANZLH-UHFFFAOYSA-N 1 0 447.542 5.715 1 0 IKAFRO CC(C)C[C@H](CSc1ccc(Br)cc1)N1CC[N@H+](CC(C)C)CCC1=O ZINC000013829666 563010903 /nfs/dbraw/zinc/01/09/03/563010903.db2.gz FKMYFACHUJITIR-LJQANCHMSA-N 1 0 441.479 5.146 1 0 IKAFRO CCC[N@H+]1CCC(=O)N([C@@H](CSc2ccc(Br)cc2)c2ccccc2)CC1 ZINC000013830350 563011016 /nfs/dbraw/zinc/01/10/16/563011016.db2.gz OZCKZSBDMAXLIS-NRFANRHFSA-N 1 0 447.442 5.227 1 0 IKAFRO Cc1ccc(SC[C@@H](c2ccccc2)N2CC[N@H+](CCc3ccccc3)CCC2=O)cc1 ZINC000013830631 563011147 /nfs/dbraw/zinc/01/11/47/563011147.db2.gz FTZOLYIYBDDYHP-MHZLTWQESA-N 1 0 444.644 5.605 1 0 IKAFRO O=C(c1c2ccc(O)cc2sc1C1CCCC1)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000013834333 563011959 /nfs/dbraw/zinc/01/19/59/563011959.db2.gz KVQCSLFQMUEDOR-UHFFFAOYSA-N 1 0 449.616 6.360 1 0 IKAFRO CCc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(Cl)cc3)ccc2[nH+]1 ZINC000013835531 563012144 /nfs/dbraw/zinc/01/21/44/563012144.db2.gz YKCHUWVQEWMLGS-UHFFFAOYSA-N 1 0 431.923 5.864 1 0 IKAFRO Cc1cc2c(cc1Cc1ccc(C(=O)NCc3cccc(C[NH3+])c3)o1)C(C)(C)CCC2(C)C ZINC000013860612 563012588 /nfs/dbraw/zinc/01/25/88/563012588.db2.gz IITMTTOUZXSGIP-UHFFFAOYSA-N 1 0 444.619 5.917 1 0 IKAFRO CCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@@H]2CC[N@H+](CC=C(C)C)C[C@@H]2C)cc1 ZINC000013862308 563013020 /nfs/dbraw/zinc/01/30/20/563013020.db2.gz GJTOJAHUUWXEKP-WNCULLNHSA-N 1 0 433.640 5.983 1 0 IKAFRO COc1c(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc(Br)c2ccccc21 ZINC000013862858 563013189 /nfs/dbraw/zinc/01/31/89/563013189.db2.gz YPWMABJCFITXHU-UHFFFAOYSA-N 1 0 445.401 5.138 1 0 IKAFRO c1[nH]c([C@H]2Cc3c4ccccc4[nH]c3C3([NH2+]2)C2CC4CC(C2)CC3C4)nc1-c1ccccc1 ZINC000013863917 563013423 /nfs/dbraw/zinc/01/34/23/563013423.db2.gz TVVKGARVQPDXQJ-YCZUFHJKSA-N 1 0 434.587 6.096 1 0 IKAFRO COc1ccccc1[C@H](O)/C=C1\C2CC[NH+](CC2)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000013901715 563013843 /nfs/dbraw/zinc/01/38/43/563013843.db2.gz ACNNRRQKRUXREB-RYVVGHGNSA-N 1 0 425.572 5.581 1 0 IKAFRO COc1ccc2ccccc2c1C[C@H]([NH3+])COc1cncc(-c2ccc3[nH]nc(C)c3c2)c1 ZINC000014957854 563015937 /nfs/dbraw/zinc/01/59/37/563015937.db2.gz XVXQGSUYHLNMTC-NRFANRHFSA-N 1 0 438.531 5.044 1 0 IKAFRO CCCc1ccccc1N1CC[NH+](CCCCCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000014975964 563016856 /nfs/dbraw/zinc/01/68/56/563016856.db2.gz IIEKSILFYZPUHU-MHZLTWQESA-N 1 0 447.667 5.515 1 0 IKAFRO CC(C)C1CCC([NH+]2CCC3(CC2)c2ccc(F)cc2CN(Cc2ccccc2)C3=O)CC1 ZINC000014977299 563017103 /nfs/dbraw/zinc/01/71/03/563017103.db2.gz KSUWDLKOGPDHMR-UHFFFAOYSA-N 1 0 448.626 5.917 1 0 IKAFRO CCc1ccc(Nc2n[n+](-c3ccccc3)c(-c3c(Cl)cccc3Cl)s2)cc1 ZINC000015936902 563019099 /nfs/dbraw/zinc/01/90/99/563019099.db2.gz IUQQRNMLGHZGPD-UHFFFAOYSA-N 1 0 427.380 6.700 3 0 IKAFRO O=C1CC[N@H+](Cc2ccccc2)CCN1[C@H](CSc1ccccc1)Cc1ccccc1 ZINC000015937567 563019282 /nfs/dbraw/zinc/01/92/82/563019282.db2.gz OXVIPFYPSAGJTP-VWLOTQADSA-N 1 0 430.617 5.125 3 0 IKAFRO Fc1ccc([C@@H](OCC[NH+]2CCN(C/C=C/c3ccccc3)CC2)c2ccccc2)cc1 ZINC000022925517 563025813 /nfs/dbraw/zinc/02/58/13/563025813.db2.gz MZWVASMORMKPEJ-WBYFNBFHSA-N 1 0 430.567 5.263 1 0 IKAFRO Fc1ccc([C@@H](OCCN2CC[NH+](CCCc3ccccc3)CC2)c2ccccc2)cc1 ZINC000022925623 563025943 /nfs/dbraw/zinc/02/59/43/563025943.db2.gz NRFRVJIPDSIXRE-NDEPHWFRSA-N 1 0 432.583 5.182 1 0 IKAFRO FC(F)(F)c1cc(CN2CC[NH2+][C@@H](Cc3c[nH]c4ccccc34)C2)cc(C(F)(F)F)c1 ZINC000022937526 563026378 /nfs/dbraw/zinc/02/63/78/563026378.db2.gz CVJXAAMXYMIAEU-SFHVURJKSA-N 1 0 441.419 5.222 1 0 IKAFRO COc1ccccc1CN(C)[C@H]1C2CC[NH+](CC2)[C@H]1C(c1ccccc1)c1ccccc1 ZINC000022935645 563026421 /nfs/dbraw/zinc/02/64/21/563026421.db2.gz NWDUBICUVMSIHT-VMPREFPWSA-N 1 0 426.604 5.422 1 0 IKAFRO Oc1cccc(CCC[NH2+]C[C@@H]2CCCN2CCOC(c2ccccc2)c2ccccc2)c1 ZINC000022938554 563026558 /nfs/dbraw/zinc/02/65/58/563026558.db2.gz HOPRSKLHOFECQR-MHZLTWQESA-N 1 0 444.619 5.185 1 0 IKAFRO Oc1cccc([C@@H](c2ccc(-c3ccccc3)cc2)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000022939103 563026667 /nfs/dbraw/zinc/02/66/67/563026667.db2.gz LCSYHXZNEVCMEZ-SSEXGKCCSA-N 1 0 434.583 5.966 1 0 IKAFRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1[C@@H](c1ccc(C(C)(C)C)cc1)c1cccc(O)c1 ZINC000022939486 563026813 /nfs/dbraw/zinc/02/68/13/563026813.db2.gz AHXMJVFHPCQZOY-DWACAAAGSA-N 1 0 428.620 5.985 1 0 IKAFRO CCN(CC)C(=O)c1ccc([C@@H](c2ccccc2)[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000022939514 563026818 /nfs/dbraw/zinc/02/68/18/563026818.db2.gz PRARFSGCMXWAAS-MUUNZHRXSA-N 1 0 441.619 5.076 1 0 IKAFRO Cc1c(NC(=O)[C@@H](Sc2ccc3ccccc3c2)C(C)C)ccc2[nH+]c(N)nc(N)c12 ZINC000025970648 563027793 /nfs/dbraw/zinc/02/77/93/563027793.db2.gz PWTQBCOCKQEHQK-NRFANRHFSA-N 1 0 431.565 5.011 1 0 IKAFRO COc1ccc(CCC[NH+]2CCC(=CCC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000025997657 563028138 /nfs/dbraw/zinc/02/81/38/563028138.db2.gz INHYDXFTQIQZGQ-UHFFFAOYSA-N 1 0 425.616 6.872 1 0 IKAFRO C[N@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@H]1CCc2c(O)cccc2C1 ZINC000026159500 563029123 /nfs/dbraw/zinc/02/91/23/563029123.db2.gz HFPUZJYAPWLJOL-VWLOTQADSA-N 1 0 428.576 5.059 1 0 IKAFRO O=C1CCCCN1CCCC[N@H+]1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 ZINC000026187916 563029814 /nfs/dbraw/zinc/02/98/14/563029814.db2.gz WALAJAAZARPECC-ILBGXUMGSA-N 1 0 439.550 5.067 1 0 IKAFRO Cc1ccc(NC(=O)CCCC[C@@H](C)[NH2+]C[C@H](O)COc2cccc3ccccc32)cc1 ZINC000026278724 563030625 /nfs/dbraw/zinc/03/06/25/563030625.db2.gz GYGLUIKOLCBIDX-QPPBQGQZSA-N 1 0 434.580 5.065 1 0 IKAFRO COc1ccc(COc2cc(N)c(Cl)cc2C(=O)CCCC[NH+]2CCCCC2)cc1 ZINC000026504169 563032851 /nfs/dbraw/zinc/03/28/51/563032851.db2.gz IIRFFNXBPUXDOB-UHFFFAOYSA-N 1 0 430.976 5.349 1 0 IKAFRO CCC(=O)N(c1ccccc1F)C1(c2ccccc2)CC[NH+](CCc2ccccc2)CC1 ZINC000026508741 563033108 /nfs/dbraw/zinc/03/31/08/563033108.db2.gz DBAISLXCWSRVSD-UHFFFAOYSA-N 1 0 430.567 5.803 1 0 IKAFRO CC/C(=C(\c1ccc(OCC[NH+](C)C)cc1)c1ccc([S@](C)=O)cc1)c1ccccc1 ZINC000026567756 563033173 /nfs/dbraw/zinc/03/31/73/563033173.db2.gz JRYLBWPPXFCWGL-OGBLTYHFSA-N 1 0 433.617 5.734 1 0 IKAFRO CC/C(=C(\c1ccc(OCC[NH+](C)C)cc1)c1ccc([S@@](C)=O)cc1)c1ccccc1 ZINC000026567753 563033177 /nfs/dbraw/zinc/03/31/77/563033177.db2.gz JRYLBWPPXFCWGL-OOHFRUMDSA-N 1 0 433.617 5.734 1 0 IKAFRO Clc1cccc(N2CC[NH+](CCCOc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)c1 ZINC000026568717 563033263 /nfs/dbraw/zinc/03/32/63/563033263.db2.gz KHGQUBQJPRFGKU-UHFFFAOYSA-N 1 0 446.982 5.474 1 0 IKAFRO Oc1ccc2c(c1)S[C@H](C1CCCC1)[C@H](c1ccc(OCC[NH+]3CCCCC3)cc1)O2 ZINC000026573494 563033439 /nfs/dbraw/zinc/03/34/39/563033439.db2.gz AHXSKOONHHFRDE-IZZNHLLZSA-N 1 0 439.621 6.042 1 0 IKAFRO c1ccc(C2CC[NH+](C[C@H]3C[C@@H]4c5ccccc5Sc5ccccc5[C@H]4O3)CC2)cc1 ZINC000026663137 563035083 /nfs/dbraw/zinc/03/50/83/563035083.db2.gz ODJIGTDOQQQJKM-WSOLHVCVSA-N 1 0 427.613 6.645 1 0 IKAFRO CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@H+](CCC(N)=O)CC1 ZINC000026665342 563035210 /nfs/dbraw/zinc/03/52/10/563035210.db2.gz ZZHNOVUUFUFNLN-ROUUACIJSA-N 1 0 428.617 5.218 1 0 IKAFRO COC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2[nH]nc3cccc(OCc4ccc(C(C)(C)C)cc4)c32)C1 ZINC000026727625 563035792 /nfs/dbraw/zinc/03/57/92/563035792.db2.gz AGKXRBAYJBHVLK-PZJWPPBQSA-N 1 0 449.595 5.261 1 0 IKAFRO O=C(NCCCC[N@@H+]1CCC[C@@H]2c3ccccc3CC[C@H]21)c1ccc(-c2ccccc2)cc1 ZINC000026727948 563035799 /nfs/dbraw/zinc/03/57/99/563035799.db2.gz OPJTVMKUVYOWNC-FQLXRVMXSA-N 1 0 438.615 6.058 1 0 IKAFRO COC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2[nH]nc3cccc(OCc4ccc(C(C)(C)C)cc4)c32)C1 ZINC000026727621 563035864 /nfs/dbraw/zinc/03/58/64/563035864.db2.gz AGKXRBAYJBHVLK-TZIWHRDSSA-N 1 0 449.595 5.261 1 0 IKAFRO COc1cccc(C2=C(c3ccccc3)[C@@H]2C(=O)N(C)[C@H]2CCCC[C@@H]2[NH+]2CCCC2)c1 ZINC000026739599 563036213 /nfs/dbraw/zinc/03/62/13/563036213.db2.gz OCEPGEBYQDXYNP-DPZBCOQUSA-N 1 0 430.592 5.101 1 0 IKAFRO C[C@@H]1c2ccccc2[C@@H](C[NH+]2CCCC2)N(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]1C ZINC000026817585 563036772 /nfs/dbraw/zinc/03/67/72/563036772.db2.gz PLYOATQTXPMHSZ-YGKZAACZSA-N 1 0 431.407 5.707 1 0 IKAFRO COc1ccc2c(c1)O[C@H](c1ccc(OCC[NH+]3CCCC3)cc1)[C@@H](c1ccccc1)C2=O ZINC000026946150 563038065 /nfs/dbraw/zinc/03/80/65/563038065.db2.gz KQGPDKRGLZIJCH-XTEPFMGCSA-N 1 0 443.543 5.270 1 0 IKAFRO c1ccc(C2=Cc3ccccc3O[C@@H]2c2ccc(OCC[NH+]3CCCCCC3)cc2)cc1 ZINC000026947991 563038067 /nfs/dbraw/zinc/03/80/67/563038067.db2.gz QHDAICWQYSTCOG-GDLZYMKVSA-N 1 0 425.572 6.616 1 0 IKAFRO COc1ccc2c(c1)O[C@H](c1ccc(OCC[NH+]3CCCC3)cc1)C(c1ccccc1)=C2 ZINC000026957171 563038229 /nfs/dbraw/zinc/03/82/29/563038229.db2.gz HWTDZENDPWBZGE-MUUNZHRXSA-N 1 0 427.544 5.844 1 0 IKAFRO CCCC[NH2+]C[C@H](O)COc1ccc([C@H]2Oc3ccccc3C=C2c2ccccc2)cc1 ZINC000026960519 563038260 /nfs/dbraw/zinc/03/82/60/563038260.db2.gz DIIFULRELAXYTN-RBJSKKJNSA-N 1 0 429.560 5.490 1 0 IKAFRO C[C@H]([NH2+]C[C@H](Cc1ccccc1)NCc1cccc(Cl)c1)c1cccc2ccccc21 ZINC000026995548 563038846 /nfs/dbraw/zinc/03/88/46/563038846.db2.gz ZRWAMFWDHTXJIW-LVXARBLLSA-N 1 0 429.007 6.545 1 0 IKAFRO O=c1oc2cc(O)ccc2c(-c2cccc(OCC[NH+]3CCCCC3)c2)c1-c1ccccc1 ZINC000027078947 563039044 /nfs/dbraw/zinc/03/90/44/563039044.db2.gz OGYBPNXQNAYUHY-UHFFFAOYSA-N 1 0 441.527 5.697 1 0 IKAFRO C[N@@H+]1CC[C@@](O)(c2ccc(Cl)c(Cl)c2)[C@@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000027181982 563040224 /nfs/dbraw/zinc/04/02/24/563040224.db2.gz NQHSMRHMUBKGPZ-BFUOFWGJSA-N 1 0 433.162 5.322 1 0 IKAFRO COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[N@@H+]2C ZINC000027214049 563041060 /nfs/dbraw/zinc/04/10/60/563041060.db2.gz XTEKMJCKVNQZRJ-WOZUAGRISA-N 1 0 434.363 5.124 1 0 IKAFRO C[C@@H](N1C2=[NH+]C[C@H](C3CCCCC3)N2C[C@@H]1C1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000027298631 563041160 /nfs/dbraw/zinc/04/11/60/563041160.db2.gz QLWHCGAXAKJOIC-APVXSDTNSA-N 1 0 437.716 6.476 1 0 IKAFRO O=C1c2ccc(F)cc2C(=O)N1CCCCC[N@H+]1CC=C(c2c[nH]c3ccc(F)cc23)CC1 ZINC000027407234 563041814 /nfs/dbraw/zinc/04/18/14/563041814.db2.gz XPSGDPNMACULHA-UHFFFAOYSA-N 1 0 449.501 5.002 1 0 IKAFRO C[C@H]1C[NH+](CCCn2c3ccccc3c3ccccc32)C[C@H](C)N1CCCc1ccccc1 ZINC000027518466 563042596 /nfs/dbraw/zinc/04/25/96/563042596.db2.gz CJLMHMFDXCFFRR-DQEYMECFSA-N 1 0 439.647 6.212 1 0 IKAFRO Cc1cc(N)c2cc(N(C)C(=O)c3ccccc3COc3ccc(Cl)cc3)ccc2[nH+]1 ZINC000027523250 563042871 /nfs/dbraw/zinc/04/28/71/563042871.db2.gz WRKAKBAZZKRZQC-UHFFFAOYSA-N 1 0 431.923 5.634 1 0 IKAFRO Cc1cc(C)c2nc(CC/C=C/c3ccc(Cl)cc3)cc([C@@H](O)[C@H]3CCCC[NH2+]3)c2c1 ZINC000027523998 563042975 /nfs/dbraw/zinc/04/29/75/563042975.db2.gz OCMOOUNQZKPECW-MEQVGAPASA-N 1 0 435.011 6.327 1 0 IKAFRO Cc1cc(C)c2nc(CC/C=C/c3ccc(Cl)cc3)cc([C@H](O)[C@H]3CCCC[NH2+]3)c2c1 ZINC000027523999 563043027 /nfs/dbraw/zinc/04/30/27/563043027.db2.gz OCMOOUNQZKPECW-CTZQKYLYSA-N 1 0 435.011 6.327 1 0 IKAFRO O[C@H](c1cc(Oc2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12)[C@@H]1CCCC[NH2+]1 ZINC000027524531 563043107 /nfs/dbraw/zinc/04/31/07/563043107.db2.gz KSQJFNKWIYWYST-GHTZIAJQSA-N 1 0 437.754 6.163 1 0 IKAFRO C[C@]12CC[C@H]3[C@H](CC[C@@H]4C[C@@H](SCCC[NH3+])CC[C@@]43C)C1=CC[C@@H]2C1=CC(=O)OC1 ZINC000027525051 563043185 /nfs/dbraw/zinc/04/31/85/563043185.db2.gz LFJNOMLQQIBVAY-SNVRGEDHSA-N 1 0 429.670 5.499 1 0 IKAFRO C[NH+](C)C1CCN(CCc2c3ccccc3sc2COc2ccc(Cl)cc2)CC1 ZINC000027526898 563043339 /nfs/dbraw/zinc/04/33/39/563043339.db2.gz UVIAQSWZDRTCNP-UHFFFAOYSA-N 1 0 429.029 5.702 1 0 IKAFRO COc1cc(CO[C@H]2C3CC[NH+](CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc(OC)c1 ZINC000027527087 563043356 /nfs/dbraw/zinc/04/33/56/563043356.db2.gz DCAGUAUHSOJEOX-VMPREFPWSA-N 1 0 443.587 5.515 1 0 IKAFRO c1ccc(C(C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1 ZINC000027529259 563043360 /nfs/dbraw/zinc/04/33/60/563043360.db2.gz HIAHXCOPTVPERH-UHFFFAOYSA-N 1 0 432.611 6.226 1 0 IKAFRO COc1cc(C)cc(CO[C@@H]2C3CC[NH+](CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 ZINC000027546819 563043433 /nfs/dbraw/zinc/04/34/33/563043433.db2.gz LAMLXQZWIGWWGU-URLMMPGGSA-N 1 0 427.588 5.815 1 0 IKAFRO CCCC[C@@H](C(=O)N(C)C1CCCCC1)C1(O)CC[NH+](CCc2ccccc2Cl)CC1 ZINC000027554373 563043614 /nfs/dbraw/zinc/04/36/14/563043614.db2.gz SEQUVHJSOOJIMM-QHCPKHFHSA-N 1 0 449.079 5.307 1 0 IKAFRO COc1ccc(-c2[nH]c3ccccc3c2CC[NH2+]CCCCc2ccc(O)cc2)cc1OC ZINC000027559182 563043999 /nfs/dbraw/zinc/04/39/99/563043999.db2.gz VGJSQYKJMNHIHV-UHFFFAOYSA-N 1 0 444.575 5.713 1 0 IKAFRO Oc1ccc(CCCC[NH2+]CCc2c3ccccc3[nH]c2-c2cccc3ccccc32)cc1 ZINC000027561067 563044268 /nfs/dbraw/zinc/04/42/68/563044268.db2.gz HDSHUPWWGCAHDN-UHFFFAOYSA-N 1 0 434.583 6.849 1 0 IKAFRO O=C1[C@@H](Cc2c[nH]c3ccccc23)C[NH+](Cc2ccccc2)C[C@@H]1Cc1c[nH]c2ccccc12 ZINC000027562827 563044336 /nfs/dbraw/zinc/04/43/36/563044336.db2.gz RYSWOVLQLJFYGU-DQEYMECFSA-N 1 0 447.582 5.752 1 0 IKAFRO Clc1ccccc1CCC[NH2+][C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000027635891 563044894 /nfs/dbraw/zinc/04/48/94/563044894.db2.gz RGXKBMFDOAFNBV-FQLXRVMXSA-N 1 0 445.050 6.157 1 0 IKAFRO Cc1c(F)c(Oc2cccc(C(N)=[NH2+])c2)nc(Oc2cccc(N3CCCCC3)c2)c1F ZINC000027651155 563045151 /nfs/dbraw/zinc/04/51/51/563045151.db2.gz MUKKUGPSIYHYMM-UHFFFAOYSA-N 1 0 438.478 5.527 1 0 IKAFRO CC(C)(C)c1cc(I)c2c(c1)C[NH2+]C1(O2)C2CC3CC(C2)CC1C3 ZINC000027654599 563045226 /nfs/dbraw/zinc/04/52/26/563045226.db2.gz SJXDSEYOLSBXGH-UHFFFAOYSA-N 1 0 437.365 5.223 1 0 IKAFRO Cc1cccc(N(CCC[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)c2ccccc2)c1 ZINC000027657819 563045422 /nfs/dbraw/zinc/04/54/22/563045422.db2.gz MALHFNCDXJETCT-UHFFFAOYSA-N 1 0 440.591 5.503 1 0 IKAFRO COc1ccc2[nH]cc(C3=CC[N@H+](C[C@H]4CCc5c(c6ccccc6n5C)C4=O)CC3)c2c1 ZINC000027738803 563046468 /nfs/dbraw/zinc/04/64/68/563046468.db2.gz YIXGURIZOKSKEU-LJQANCHMSA-N 1 0 439.559 5.203 1 0 IKAFRO COc1cccc2c1CC[C@H]([NH+]1CCCC1)[C@H]2N(C)C(=O)Cc1c(Cl)cccc1Cl ZINC000027844914 563047287 /nfs/dbraw/zinc/04/72/87/563047287.db2.gz LXMUPOIKIUOICX-URXFXBBRSA-N 1 0 447.406 5.155 1 0 IKAFRO S=C(NN1CC=C(c2ccc3[nH]cc(CC[NH+]4CCCC4)c3c2)CC1)C1CCCCC1 ZINC000027856384 563047327 /nfs/dbraw/zinc/04/73/27/563047327.db2.gz KQLYOMSEMLNUHU-UHFFFAOYSA-N 1 0 436.669 5.308 1 0 IKAFRO Cc1ccc(C(=S)NN2CC=C(c3ccc4[nH]cc(CC[NH+]5CCCC5)c4c3)CC2)cc1 ZINC000027853621 563047330 /nfs/dbraw/zinc/04/73/30/563047330.db2.gz HABWSRPOQAASQH-UHFFFAOYSA-N 1 0 444.648 5.084 1 0 IKAFRO S=c1[nH]c2cccc3c2n1[C@H](Cc1ccccc1)[C@H](Cc1ccccc1)[N@H+](CC1CC1)C3 ZINC000027878954 563047760 /nfs/dbraw/zinc/04/77/60/563047760.db2.gz HKNUJIRUVQCBJX-IZZNHLLZSA-N 1 0 439.628 6.320 1 0 IKAFRO CCCCCCN[C@@H](c1ccc(OC)cc1)[C@@H]([NH2+]CCCCCC)c1ccc(OC)cc1 ZINC000027986123 563048876 /nfs/dbraw/zinc/04/88/76/563048876.db2.gz YTXIOYFUSXVJGV-NSOVKSMOSA-N 1 0 440.672 6.826 1 0 IKAFRO CCCCCCN[C@H](c1ccc(OC)cc1)[C@H]([NH2+]CCCCCC)c1ccc(OC)cc1 ZINC000027986129 563048889 /nfs/dbraw/zinc/04/88/89/563048889.db2.gz YTXIOYFUSXVJGV-VSGBNLITSA-N 1 0 440.672 6.826 1 0 IKAFRO CC(C)c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1Cc1ccc(S(N)(=O)=O)cc1 ZINC000027990496 563048957 /nfs/dbraw/zinc/04/89/57/563048957.db2.gz GBIOOETXOWRYBO-UHFFFAOYSA-N 1 0 443.592 5.127 1 0 IKAFRO CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[NH2+][C@@]2(C)C3=CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000027994732 563049084 /nfs/dbraw/zinc/04/90/84/563049084.db2.gz IKPGVNCLAATMJQ-MMXVLEJZSA-N 1 0 427.717 6.753 1 0 IKAFRO CSc1sc(C(N)=[NH2+])cc1-c1csc(Nc2ccc(C)cc2Br)n1 ZINC000028005225 563049383 /nfs/dbraw/zinc/04/93/83/563049383.db2.gz BBZQWPQSGQXDJT-UHFFFAOYSA-N 1 0 439.429 5.692 1 0 IKAFRO Cc1ccccc1CC(=O)N1CCC([NH+]2CCC(Cc3ccc(Cl)cc3F)CC2)CC1 ZINC000028123560 563051137 /nfs/dbraw/zinc/05/11/37/563051137.db2.gz ZIHKJSNQUZDFRX-UHFFFAOYSA-N 1 0 443.006 5.276 1 0 IKAFRO Cc1ccccc1CC(=O)N1CCC([NH+]2CCC(Cc3cc(F)cc(Cl)c3)CC2)CC1 ZINC000028131380 563051362 /nfs/dbraw/zinc/05/13/62/563051362.db2.gz CJVAFNHVSYHRHI-UHFFFAOYSA-N 1 0 443.006 5.276 1 0 IKAFRO CN(C(=O)Cc1ccc(F)cc1)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028339473 563052770 /nfs/dbraw/zinc/05/27/70/563052770.db2.gz ULIOFFVUEAORCD-UHFFFAOYSA-N 1 0 444.594 5.513 1 0 IKAFRO Cc1cccc(NC(=O)N(C)C2CC[NH+](CCC(c3ccccc3)c3ccccc3)CC2)c1 ZINC000028351515 563053205 /nfs/dbraw/zinc/05/32/05/563053205.db2.gz PESICCKSXOZJOA-UHFFFAOYSA-N 1 0 441.619 6.145 1 0 IKAFRO CC(C)c1ccccc1O[C@@H](CC[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1)C(C)C ZINC000028352378 563053231 /nfs/dbraw/zinc/05/32/31/563053231.db2.gz DCYSPNIVUPHBEY-VWLOTQADSA-N 1 0 435.612 5.584 1 0 IKAFRO CC(C)[C@@H](CC[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)Oc1cc(F)ccc1Cl ZINC000028356119 563053399 /nfs/dbraw/zinc/05/33/99/563053399.db2.gz IBFJWHIXOKNTCN-JOCHJYFZSA-N 1 0 445.966 5.253 1 0 IKAFRO O=C1[C@H](c2ccc(Cl)c(Cl)c2)CC=CCN1[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000028374053 563053849 /nfs/dbraw/zinc/05/38/49/563053849.db2.gz DVTNAPPKBSPOMR-REWPJTCUSA-N 1 0 429.391 5.703 1 0 IKAFRO O=C1[C@H](Oc2ccc(Cl)c(Cl)c2)CC=CCN1[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000028372504 563053852 /nfs/dbraw/zinc/05/38/52/563053852.db2.gz XNHYWJKLNSIKRT-XZOQPEGZSA-N 1 0 445.390 5.366 1 0 IKAFRO O=C1[C@@H](Oc2ccc(Cl)c(Cl)c2)CC=CCN1[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000028372512 563053857 /nfs/dbraw/zinc/05/38/57/563053857.db2.gz XNHYWJKLNSIKRT-GOTSBHOMSA-N 1 0 445.390 5.366 1 0 IKAFRO O=C1[C@@H](c2ccc(Cl)c(Cl)c2)CC=CCN1[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000028374059 563053868 /nfs/dbraw/zinc/05/38/68/563053868.db2.gz DVTNAPPKBSPOMR-OFNKIYASSA-N 1 0 429.391 5.703 1 0 IKAFRO CCC[N@@H+](Cc1c(CC)nc2n1c1ccccc1n2-c1c(C)cc(C)cc1C)CC1CC1 ZINC000028460310 563054958 /nfs/dbraw/zinc/05/49/58/563054958.db2.gz LERKSHFMGRDTHU-UHFFFAOYSA-N 1 0 428.624 6.388 1 0 IKAFRO CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@]1(C)C[C@H](C)C[NH2+][C@H]1[C@H]2C ZINC000028459856 563054980 /nfs/dbraw/zinc/05/49/80/563054980.db2.gz RAHCWWLGPKNZDP-ZBABXINMSA-N 1 0 425.657 5.392 1 0 IKAFRO [NH3+]CCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1ccc2ccccc2c1 ZINC000028460944 563055111 /nfs/dbraw/zinc/05/51/11/563055111.db2.gz CXRCYSQYHPSRCO-UHFFFAOYSA-N 1 0 441.604 5.653 1 0 IKAFRO Clc1ccc2[nH]c(/C=C/c3cc(C4CC[NH2+]CC4)nn3-c3cccc(Cl)c3)cc2c1 ZINC000028524532 563056486 /nfs/dbraw/zinc/05/64/86/563056486.db2.gz ODUVFLMOLYFEOE-AATRIKPKSA-N 1 0 437.374 6.298 1 0 IKAFRO CC(C)C[NH2+]CCn1ncc2cc(NC(=O)Nc3ccc(Oc4ccccc4)cc3)ccc21 ZINC000028524712 563056533 /nfs/dbraw/zinc/05/65/33/563056533.db2.gz SXUROQLTGFUQFZ-UHFFFAOYSA-N 1 0 443.551 5.718 1 0 IKAFRO O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2cnn(CC[NH+]3CCCC3)c2c1 ZINC000028525224 563056648 /nfs/dbraw/zinc/05/66/48/563056648.db2.gz GIKJXFRITKLEPN-UHFFFAOYSA-N 1 0 441.535 5.568 1 0 IKAFRO CCCCCC[C@@H](CCCC)C[NH+]1CCC2(CC1)c1ccccc1N(CC(=O)OC)C2=O ZINC000028526341 563056995 /nfs/dbraw/zinc/05/69/95/563056995.db2.gz KDJXKFTXUYAZNS-JOCHJYFZSA-N 1 0 442.644 5.317 1 0 IKAFRO COc1ccc(CN2c3ccccc3C3(CC[NH+](CC4CCCCCCC4)CC3)C2=O)cc1 ZINC000028528271 563057159 /nfs/dbraw/zinc/05/71/59/563057159.db2.gz NRSRBKMPGXYFDE-UHFFFAOYSA-N 1 0 446.635 5.936 1 0 IKAFRO C[C@@H](COc1ccc([C@@H]2c3ccc(O)cc3CC[C@@H]2c2ccccc2)cc1)[NH+]1CCCC1 ZINC000028529576 563057364 /nfs/dbraw/zinc/05/73/64/563057364.db2.gz SNURMSXWIAIOCJ-PEXXQYNDSA-N 1 0 427.588 6.117 1 0 IKAFRO COc1ccc(CCC(C)(C)[NH3+])cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ccc21 ZINC000028565121 563057963 /nfs/dbraw/zinc/05/79/63/563057963.db2.gz IVOOSKDWDVMHTN-UHFFFAOYSA-N 1 0 437.494 5.325 1 0 IKAFRO COc1ccc(C[NH2+]C2CCCC2)cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ccc21 ZINC000028565836 563058189 /nfs/dbraw/zinc/05/81/89/563058189.db2.gz BIFIZIMMDFSYGN-UHFFFAOYSA-N 1 0 449.505 5.688 1 0 IKAFRO COc1ccc(C[NH+]2CCC(N3C(=O)Nc4ccccc4[C@@H]3c3ccccc3)CC2)cc1 ZINC000028568009 563058432 /nfs/dbraw/zinc/05/84/32/563058432.db2.gz FYYBHVIEVZMBFP-SANMLTNESA-N 1 0 427.548 5.297 1 0 IKAFRO O=C1CC[C@@H](Oc2ccc(Cl)cc2)c2c1c1ccccc1n2CCC[NH+]1CCCCC1 ZINC000028571810 563059359 /nfs/dbraw/zinc/05/93/59/563059359.db2.gz ZWWDBHPYMHQUBH-XMMPIXPASA-N 1 0 436.983 6.267 1 0 IKAFRO O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1ccccc1Cn1ccc2c[nH+]ccc21 ZINC000028572297 563059573 /nfs/dbraw/zinc/05/95/73/563059573.db2.gz XANYKIIYICQXDQ-UHFFFAOYSA-N 1 0 427.838 5.505 1 0 IKAFRO CC(C)(C)[C@@H]([NH2+]C[C@H](O)COc1ccccc1C(=O)CCc1ccccc1)c1ccccc1 ZINC000028637024 563059869 /nfs/dbraw/zinc/05/98/69/563059869.db2.gz NXLSPYIPMYWKMG-CUBQBAPOSA-N 1 0 445.603 5.619 1 0 IKAFRO CC(C)[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1)c1ccccc1 ZINC000028636817 563059890 /nfs/dbraw/zinc/05/98/90/563059890.db2.gz IMSAUJVBNBXQTC-UFHPHHKVSA-N 1 0 431.576 5.229 1 0 IKAFRO Cc1cccc(C)c1Nc1ncc(-c2ccc(OC[C@H]3CCC[N@@H+](C)C3)cc2)n2cncc12 ZINC000028639997 563060053 /nfs/dbraw/zinc/06/00/53/563060053.db2.gz ZMNIUTKMAXSZLK-NRFANRHFSA-N 1 0 441.579 5.477 1 0 IKAFRO O=C(Nc1ccc(F)c(Cl)c1)N(CC[NH+]1CCCC1)[C@@H]1CC=C(c2ccc[nH]2)CC1 ZINC000028650218 563061112 /nfs/dbraw/zinc/06/11/12/563061112.db2.gz COSMCCAKONHKTJ-LJQANCHMSA-N 1 0 430.955 5.373 1 0 IKAFRO c1ccc(-c2cccc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3cccc(-c4ccccc4)c3)c2)cc1 ZINC000028707587 563062179 /nfs/dbraw/zinc/06/21/79/563062179.db2.gz UQKBTCGRCAKCIO-MEKGRNQZSA-N 1 0 444.622 6.869 1 0 IKAFRO O=C(Nc1cc(F)cc(C(F)(F)F)c1)NC1CC[NH+](CC2=CCCCCCC2)CC1 ZINC000028708499 563062306 /nfs/dbraw/zinc/06/23/06/563062306.db2.gz SBZJQHANYRDHRT-UHFFFAOYSA-N 1 0 427.486 5.711 1 0 IKAFRO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(NC(=O)Nc3cncc(-c4cccs4)c3)CC1)=CC2 ZINC000028708694 563062380 /nfs/dbraw/zinc/06/23/80/563062380.db2.gz CSKIRSQXSLFNLF-UGKGYDQZSA-N 1 0 436.625 5.388 1 0 IKAFRO COc1cc2cc(-c3ccc(C[N@H+](C)Cc4ccccc4C)cc3)c(=O)oc2cc1OC ZINC000028710688 563062660 /nfs/dbraw/zinc/06/26/60/563062660.db2.gz XZUBXCWVPOEDDO-UHFFFAOYSA-N 1 0 429.516 5.418 1 0 IKAFRO CC[N@H+](Cc1ccccc1)Cc1cccc(-c2coc3cc(OC)c(OC)cc3c2=O)c1 ZINC000028710705 563062684 /nfs/dbraw/zinc/06/26/84/563062684.db2.gz UGVDWCWFPOMOMR-UHFFFAOYSA-N 1 0 429.516 5.499 1 0 IKAFRO CC(C)c1nc2ccc(Oc3ccc(F)cc3)cc2c(=O)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000028711977 563062771 /nfs/dbraw/zinc/06/27/71/563062771.db2.gz ILNPGICYVIKHNL-IBGZPJMESA-N 1 0 437.559 5.572 1 0 IKAFRO CC(C)[NH+](CC[C@]1(c2ccccc2)C(=O)N=C(c2ccccc2)N2CCCC[C@H]21)C(C)C ZINC000028755232 563063276 /nfs/dbraw/zinc/06/32/76/563063276.db2.gz XCXQFLGDQYOVKM-LBNVMWSVSA-N 1 0 431.624 5.275 1 0 IKAFRO CC(C)[NH+](CC[C@@]1(c2ccc(-c3ccccc3)cc2)C(=O)NCN2CCCC[C@@H]21)C(C)C ZINC000028755747 563063396 /nfs/dbraw/zinc/06/33/96/563063396.db2.gz HGYTZWBWQCKAAF-IAPPQJPRSA-N 1 0 433.640 5.042 1 0 IKAFRO CC(C)[NH+](CC[C@]1(c2ccc(-c3ccccc3)cc2)C(=O)N=CN2CCCC[C@H]21)C(C)C ZINC000028755834 563063433 /nfs/dbraw/zinc/06/34/33/563063433.db2.gz QPPJEWFQDRVZEN-XTEPFMGCSA-N 1 0 431.624 5.523 1 0 IKAFRO CCCN[C@H](c1ccc(Cl)cc1Cl)[C@H]([NH2+]CCC)c1ccc(Cl)cc1Cl ZINC000028764628 563063941 /nfs/dbraw/zinc/06/39/41/563063941.db2.gz FASYCQWBVNXZFV-WOJBJXKFSA-N 1 0 434.238 7.082 1 0 IKAFRO CCCOc1ccc(C(=O)OCCCC[N@H+](CC)[C@H]2CCc3cc(OC)ccc3C2)cc1 ZINC000028765305 563063982 /nfs/dbraw/zinc/06/39/82/563063982.db2.gz JZHNSDQUTQLMET-DEOSSOPVSA-N 1 0 439.596 5.300 1 0 IKAFRO C[NH+](C)C1CCC(Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc3ccccc32)CC1 ZINC000028772210 563064448 /nfs/dbraw/zinc/06/44/48/563064448.db2.gz QORRBAPGSYAPRU-UHFFFAOYSA-N 1 0 430.383 5.965 1 0 IKAFRO C/C(=C\C[n+]1cn(C)c2ncnc(N)c21)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000028816713 563064635 /nfs/dbraw/zinc/06/46/35/563064635.db2.gz MFTWBNLVZQNBIL-UOFXASEASA-N 1 0 428.689 6.223 1 0 IKAFRO C/C(=C\C[n+]1cn(C)c2ncnc(N)c21)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000028816715 563064643 /nfs/dbraw/zinc/06/46/43/563064643.db2.gz MFTWBNLVZQNBIL-PGJCHXKPSA-N 1 0 428.689 6.223 1 0 IKAFRO COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCC[NH+]1CCC(C)CC1 ZINC000028819796 563065245 /nfs/dbraw/zinc/06/52/45/563065245.db2.gz AJQRQOPZYZMBLC-UHFFFAOYSA-N 1 0 449.378 5.273 1 0 IKAFRO O=C(C1CCCCC1)N1CCC[C@H]1CCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000028820021 563065256 /nfs/dbraw/zinc/06/52/56/563065256.db2.gz KKQKXXNCYFHKTJ-HSZRJFAPSA-N 1 0 432.052 5.204 1 0 IKAFRO C[C@@H](CO)[NH2+]Cc1ccc(CN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)cc1 ZINC000028821666 563065437 /nfs/dbraw/zinc/06/54/37/563065437.db2.gz XLBZAYNWHDBFKB-INIZCTEOSA-N 1 0 444.522 5.979 1 0 IKAFRO C[N@H+](Cc1ccccc1)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000028822071 563065581 /nfs/dbraw/zinc/06/55/81/563065581.db2.gz ZUOWRTNMBWVLDP-UHFFFAOYSA-N 1 0 430.773 6.314 1 0 IKAFRO CC[N@H+](C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NCC(C)(C)C)n1 ZINC000028822167 563065655 /nfs/dbraw/zinc/06/56/55/563065655.db2.gz SSEZZDCBYKEBDT-UHFFFAOYSA-N 1 0 446.574 5.507 1 0 IKAFRO C[C@@H](c1ccc(C(F)(F)F)cc1)N(CCCCC[NH3+])C(=O)Cc1c[nH]c2ccccc12 ZINC000028825915 563066360 /nfs/dbraw/zinc/06/63/60/563066360.db2.gz QSFONRPIBFZHKU-KRWDZBQOSA-N 1 0 431.502 5.448 1 0 IKAFRO O[C@@H]1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccc(Br)cc23)[NH+]2CCC1CC2 ZINC000028826465 563066462 /nfs/dbraw/zinc/06/64/62/563066462.db2.gz PTYANLIZLVUDFM-KIJDSKARSA-N 1 0 441.344 5.019 1 0 IKAFRO Fc1ccc(Cn2c3ccccc3nc2NC2CC[NH+](CCCc3ccccc3)CC2)cc1 ZINC000028827098 563066557 /nfs/dbraw/zinc/06/65/57/563066557.db2.gz BQXNKIUNSHZBLU-UHFFFAOYSA-N 1 0 442.582 5.733 1 0 IKAFRO CCOc1cc(C[NH+]2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC(F)(F)F ZINC000028827119 563066589 /nfs/dbraw/zinc/06/65/89/563066589.db2.gz IJJLJNDXPKFYRZ-UHFFFAOYSA-N 1 0 435.446 5.202 1 0 IKAFRO COc1ccccc1-c1ccc(CNC(=O)NC2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000028874119 563067621 /nfs/dbraw/zinc/06/76/21/563067621.db2.gz JACCGHBBUQQZDC-UHFFFAOYSA-N 1 0 443.591 5.134 1 0 IKAFRO COc1cc(N[C@H]2CCC[C@H]([NH2+]Cc3ccsc3)C2)nc2ccc(OC(C)C)cc21 ZINC000028950987 563069644 /nfs/dbraw/zinc/06/96/44/563069644.db2.gz NRFZAQYZAXFSAH-OALUTQOASA-N 1 0 425.598 5.605 1 0 IKAFRO Clc1ccc([C@@H](c2ccccc2)c2c(OCC[NH+]3CCCC3)ccc3ccccc32)cc1 ZINC000028955514 563070161 /nfs/dbraw/zinc/07/01/61/563070161.db2.gz RCLCLVJEZISQDV-MUUNZHRXSA-N 1 0 442.002 7.148 1 0 IKAFRO Fc1ccc([C@H](c2ccccc2)c2c(OCC[NH+]3CCCC3)ccc3ccccc32)cc1 ZINC000028955579 563070171 /nfs/dbraw/zinc/07/01/71/563070171.db2.gz LSUQXCGHACQRNU-NDEPHWFRSA-N 1 0 425.547 6.634 1 0 IKAFRO Fc1ccc([C@@H](c2ccccc2)c2c(OCC[NH+]3CCCCC3)ccc3ccccc32)cc1 ZINC000028955581 563070181 /nfs/dbraw/zinc/07/01/81/563070181.db2.gz DMMQOUSUPSOOPY-GDLZYMKVSA-N 1 0 439.574 7.024 1 0 IKAFRO Fc1ccc([C@H](c2ccccc2)c2ccc(OCC[NH+]3CCCC3)c3ccccc32)cc1 ZINC000028956033 563070237 /nfs/dbraw/zinc/07/02/37/563070237.db2.gz ZNOLMNBGDYFLPB-LJAQVGFWSA-N 1 0 425.547 6.634 1 0 IKAFRO Cc1n[nH]c2c1c(=O)n(C[C@H](F)C[NH3+])c1cc(C3CCCCC3)c(C3CCCCC3)cc21 ZINC000028957088 563070433 /nfs/dbraw/zinc/07/04/33/563070433.db2.gz IHIQFZIHZGMOLT-LJQANCHMSA-N 1 0 438.591 5.578 1 0 IKAFRO O=C(/C=C/c1ccc(F)cc1)NCCCCC[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000028957573 563070443 /nfs/dbraw/zinc/07/04/43/563070443.db2.gz XWKPGMWGJODOGI-AWNIVKPZSA-N 1 0 428.979 5.658 1 0 IKAFRO CCCC[C@H](COCC1CC[NH+](C(C)C)CC1)NC(=O)c1ccc2c(Cl)c[nH]c2c1 ZINC000028957770 563070514 /nfs/dbraw/zinc/07/05/14/563070514.db2.gz XSDDLUSAUGTRCP-HXUWFJFHSA-N 1 0 434.024 5.247 1 0 IKAFRO CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2[NH2+][C@@H]1CCCc2ccccc21 ZINC000029042733 563072248 /nfs/dbraw/zinc/07/22/48/563072248.db2.gz RPWRCPNRVFIHNA-JWQCQUIFSA-N 1 0 440.631 6.927 1 0 IKAFRO CC[C@]1(CCCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)c2cc(Cl)ccc2NC1=O ZINC000029052504 563073085 /nfs/dbraw/zinc/07/30/85/563073085.db2.gz DHGGOBPBRRSUQD-DEOSSOPVSA-N 1 0 446.422 5.586 1 0 IKAFRO CC(C)C[C@@]1(CCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c2ccccc2NC1=O ZINC000029052539 563073124 /nfs/dbraw/zinc/07/31/24/563073124.db2.gz WCILESILEVDHCT-SANMLTNESA-N 1 0 440.031 5.569 1 0 IKAFRO CC[C@]1(CCCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2ccc(F)cc21 ZINC000029052530 563073128 /nfs/dbraw/zinc/07/31/28/563073128.db2.gz ISWLMFBTCIVZDN-XMMPIXPASA-N 1 0 429.967 5.072 1 0 IKAFRO CC[C@]1(CCCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2cc(F)ccc21 ZINC000029055368 563073416 /nfs/dbraw/zinc/07/34/16/563073416.db2.gz QFHWIGIQQPTXBG-XMMPIXPASA-N 1 0 429.967 5.072 1 0 IKAFRO Cc1nc2cc(C)ccc2n1C1CC[NH+](CCCc2cccc(NC(=O)C(C)C)c2)CC1 ZINC000029128380 563075165 /nfs/dbraw/zinc/07/51/65/563075165.db2.gz UEXMLAHFKICZJK-UHFFFAOYSA-N 1 0 432.612 5.517 1 0 IKAFRO c1ccc(-c2ccc(-n3nc(-c4cccc5ccccc54)n[n+]3-c3ccccc3)cc2)cc1 ZINC000029131034 563075615 /nfs/dbraw/zinc/07/56/15/563075615.db2.gz KBWJEGCYRKTMCW-UHFFFAOYSA-N 1 0 425.515 6.031 1 0 IKAFRO O=C(c1ccncc1)N1CCC2(CC1)CC[NH+](Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000029133289 563075962 /nfs/dbraw/zinc/07/59/62/563075962.db2.gz KHWFDRKDQCSBEW-UHFFFAOYSA-N 1 0 441.575 5.392 1 0 IKAFRO Clc1cccc([C@@](c2ccncc2)(c2ccc(C[NH+]3CCCC3)cc2)n2ccnc2)c1 ZINC000029135622 563076216 /nfs/dbraw/zinc/07/62/16/563076216.db2.gz GDBUZJROAYJSEO-SANMLTNESA-N 1 0 428.967 5.368 1 0 IKAFRO Clc1ccc([C@@](c2nccs2)(c2ccc(C[NH+]3CCCC3)cc2)n2ccnc2)cc1 ZINC000029135496 563076259 /nfs/dbraw/zinc/07/62/59/563076259.db2.gz WCFYPIUHVQUBEP-XMMPIXPASA-N 1 0 434.996 5.429 1 0 IKAFRO Clc1ccc([C@](c2cccs2)(c2ccc(C[NH+]3CCCC3)cc2)n2ccnc2)cc1 ZINC000029135625 563076264 /nfs/dbraw/zinc/07/62/64/563076264.db2.gz XOSWWTHXBLODIH-VWLOTQADSA-N 1 0 434.008 6.034 1 0 IKAFRO CC[NH+]1CCC(CNc2nc3ccccc3c(Nc3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000029205839 563076395 /nfs/dbraw/zinc/07/63/95/563076395.db2.gz NMWQWCHTJODLSN-UHFFFAOYSA-N 1 0 430.383 5.824 1 0 IKAFRO COc1cc(CNc2c3c([nH+]c4ccccc42)N(Cc2ccccc2)CC3)cc(OC)c1 ZINC000029216319 563076738 /nfs/dbraw/zinc/07/67/38/563076738.db2.gz VQLZBEBAJKZXDK-UHFFFAOYSA-N 1 0 425.532 5.427 1 0 IKAFRO O=C1c2ccccc2O[C@H](c2ccc(OCC[NH+]3CCCCC3)cc2)[C@@H]1c1ccc(O)cc1 ZINC000029218645 563076830 /nfs/dbraw/zinc/07/68/30/563076830.db2.gz DJGVRFOZFQIQPQ-IXCJQBJRSA-N 1 0 443.543 5.357 1 0 IKAFRO O=c1cc(-c2ccccc2)oc2ccc(OCCCCCC[C@@H]3CC[NH2+][C@@H](CCO)C3)cc12 ZINC000029322959 563077910 /nfs/dbraw/zinc/07/79/10/563077910.db2.gz ILHCFXHHSGJCMQ-GGAORHGYSA-N 1 0 449.591 5.540 1 0 IKAFRO O=c1cc(-c2ccccc2)oc2ccc(OCCCCCC[C@H]3CC[NH2+][C@@H](CCO)C3)cc12 ZINC000029322948 563077918 /nfs/dbraw/zinc/07/79/18/563077918.db2.gz ILHCFXHHSGJCMQ-GMAHTHKFSA-N 1 0 449.591 5.540 1 0 IKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2nccc(CO)c2c1Oc1cccc(C(F)(F)F)c1 ZINC000029338130 563078402 /nfs/dbraw/zinc/07/84/02/563078402.db2.gz NWTQEEPMGPLBSH-AWEZNQCLSA-N 1 0 449.473 5.086 1 0 IKAFRO C[C@@H](C[N@@H+]1CCCC[C@@H]1CCCC1CCCCC1)c1cccc(C(=O)c2ccccc2)c1 ZINC000029404703 563079409 /nfs/dbraw/zinc/07/94/09/563079409.db2.gz QAJDQIPEHMCYPC-PWUYWRBVSA-N 1 0 431.664 7.626 1 0 IKAFRO C[NH+](C)CCOc1ccc([C@]2(c3ccccc3)[C@H](c3ccccc3)C2(Cl)Cl)cc1 ZINC000029406398 563079516 /nfs/dbraw/zinc/07/95/16/563079516.db2.gz IDPUGYXWCKNQJB-BJKOFHAPSA-N 1 0 426.387 5.884 1 0 IKAFRO C[C@@H](C[N@@H+]1CCCC[C@@H]1CC1CCCCC1)c1cccc(C(=O)c2ccccc2Cl)c1 ZINC000029409828 563079844 /nfs/dbraw/zinc/07/98/44/563079844.db2.gz USIFEXVPSBOAFL-SQJMNOBHSA-N 1 0 438.055 7.499 1 0 IKAFRO C[C@H](C[N@@H+]1CCCC[C@@H]1CC1CCCCC1)c1cccc(C(=O)c2ccc(Cl)cc2)c1 ZINC000029413211 563079890 /nfs/dbraw/zinc/07/98/90/563079890.db2.gz GAWPNRCSDDMHMR-JIPXPUAJSA-N 1 0 438.055 7.499 1 0 IKAFRO CCCCOC(=O)[C@]1(c2ccccc2)C[C@@H]1C[N@@H+]1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C ZINC000029548136 563081828 /nfs/dbraw/zinc/08/18/28/563081828.db2.gz HVDWDRVWLVNZRJ-JTXUGCINSA-N 1 0 447.619 5.218 1 0 IKAFRO CCN(c1nc2ccccc2n1Cc1ccccc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000029560330 563082310 /nfs/dbraw/zinc/08/23/10/563082310.db2.gz RLGDXQWMRRQKOC-UHFFFAOYSA-N 1 0 438.619 5.618 1 0 IKAFRO C[C@@H](C[NH+]1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000029564043 563082469 /nfs/dbraw/zinc/08/24/69/563082469.db2.gz IDJNYUHFUXECLI-NRFANRHFSA-N 1 0 442.582 5.904 1 0 IKAFRO Fc1ccc(Cn2c3ccccc3nc2NC2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000029567577 563082734 /nfs/dbraw/zinc/08/27/34/563082734.db2.gz WVOZXGZNQPYOQX-RMKNXTFCSA-N 1 0 440.566 5.813 1 0 IKAFRO c1ccc(Cn2c3ccccc3nc2NC2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000029569654 563082977 /nfs/dbraw/zinc/08/29/77/563082977.db2.gz MMSACAMADRXBRY-UHFFFAOYSA-N 1 0 426.564 5.040 1 0 IKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2nccc(C)c2c1Oc1ccc(Cl)c(Cl)c1 ZINC000032024798 563083995 /nfs/dbraw/zinc/08/39/95/563083995.db2.gz UEFVAUCKVCFRDW-AWEZNQCLSA-N 1 0 434.367 6.190 1 0 IKAFRO CCCC/C=C/C/C=C/CCCCCCCCC(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000033913588 563084987 /nfs/dbraw/zinc/08/49/87/563084987.db2.gz VHRHCOQFSHKQLI-ROVPTNIISA-N 1 0 431.705 7.608 1 0 IKAFRO CC(C)[NH+](CC[C@]1(c2ccccc2)C(=O)N[C@@H](c2ccccc2)N2CCCC[C@H]21)C(C)C ZINC000034079788 563085563 /nfs/dbraw/zinc/08/55/63/563085563.db2.gz IGHPVIUYETXOHE-ZRRKCSAHSA-N 1 0 433.640 5.116 1 0 IKAFRO Cc1ccc2c(cccc2OCC[NH+]2CCC(Cc3cccc(N4CCCCC4)c3)CC2)n1 ZINC000034271455 563085971 /nfs/dbraw/zinc/08/59/71/563085971.db2.gz HJKPESIJLFZXDW-UHFFFAOYSA-N 1 0 443.635 5.867 1 0 IKAFRO C[C@@H](OC[C@@]1(c2ccccc2)CCCC[NH2+]1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000034637418 563086680 /nfs/dbraw/zinc/08/66/80/563086680.db2.gz QMCSRVRYDUVHNB-FOIQADDNSA-N 1 0 431.420 6.471 1 0 IKAFRO Cc1ccccc1Oc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CC[NH2+]CC2)n1 ZINC000034754263 563087082 /nfs/dbraw/zinc/08/70/82/563087082.db2.gz VHEPATGINYKFPP-UHFFFAOYSA-N 1 0 429.499 5.171 1 0 IKAFRO O=C1N(Cc2ccccc2)[C@H](c2ccccc2)CN1C1CC[NH+](Cc2ccccc2)CC1 ZINC000034802138 563087624 /nfs/dbraw/zinc/08/76/24/563087624.db2.gz HEOLOYBLVYPIDH-MHZLTWQESA-N 1 0 425.576 5.330 1 0 IKAFRO COc1ccc(/C=C2\C[C@H](c3ccc(OCC[NH+](C)C)cc3)Oc3cc(OC)ccc32)cc1 ZINC000034985716 563088667 /nfs/dbraw/zinc/08/86/67/563088667.db2.gz KPXUCKFPNUQCPJ-DHCKTRPCSA-N 1 0 445.559 5.709 1 0 IKAFRO COc1ccc(/C=C2\C[C@@H](c3ccc(OCC[NH+](C)C)cc3)Oc3cc(OC)ccc32)cc1 ZINC000034985715 563088703 /nfs/dbraw/zinc/08/87/03/563088703.db2.gz KPXUCKFPNUQCPJ-VWTQUNACSA-N 1 0 445.559 5.709 1 0 IKAFRO Clc1ccc([C@@](c2ccccc2)(c2ccc(C[NH+]3CCCC3)cc2)n2cncn2)cc1 ZINC000035246402 563089662 /nfs/dbraw/zinc/08/96/62/563089662.db2.gz GYMFMNWFDRQOJX-AREMUKBSSA-N 1 0 428.967 5.368 1 0 IKAFRO Clc1ccc([C@](c2ccccc2)(c2ccc(C[NH+]3CCCC3)cc2)n2cncn2)cc1 ZINC000035246404 563089663 /nfs/dbraw/zinc/08/96/63/563089663.db2.gz GYMFMNWFDRQOJX-SANMLTNESA-N 1 0 428.967 5.368 1 0 IKAFRO CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)C[NH2+][C@H]1[C@H]2C ZINC000035997776 563090572 /nfs/dbraw/zinc/09/05/72/563090572.db2.gz DGLYSZKWEKQLFU-YUMUAZNRSA-N 1 0 425.657 5.392 1 0 IKAFRO Cc1onc(-c2ccc(Cl)cc2)c1-c1ccc2cc(CC[N@H+]3CCC[C@H]3C)ccc2n1 ZINC000035984391 563090646 /nfs/dbraw/zinc/09/06/46/563090646.db2.gz CNMDDAFIBJNBFQ-QGZVFWFLSA-N 1 0 431.967 6.545 1 0 IKAFRO c1sc(Nc2cccc3ccccc32)nc1C[NH+](CC1CCCCC1)CC1CCCCC1 ZINC000036159695 563091429 /nfs/dbraw/zinc/09/14/29/563091429.db2.gz UWOWEDOVRFXUHU-UHFFFAOYSA-N 1 0 447.692 8.003 1 0 IKAFRO C[N@@H+]1CC[C@](O)(c2ccc(Cl)c(Cl)c2)[C@H]([C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000036177272 563091597 /nfs/dbraw/zinc/09/15/97/563091597.db2.gz RRWQOIKRLCJAFP-AGRHKRQWSA-N 1 0 435.178 5.173 1 0 IKAFRO Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@@H]2CO[C@@H](c2ccccc2)c2ccc(Cl)cc2)[N@@H+]3C)cc1 ZINC000036270771 563092460 /nfs/dbraw/zinc/09/24/60/563092460.db2.gz SWUYKZCLBQJENR-ZCCUTQAASA-N 1 0 446.034 7.021 1 0 IKAFRO C[NH+](C)[C@H]1CCN(c2ccc(-c3coc4cc(-c5ccc(Cl)cc5)ccc4c3=O)cn2)C1 ZINC000036351550 563093244 /nfs/dbraw/zinc/09/32/44/563093244.db2.gz WUOVBRPWEZTIPN-NRFANRHFSA-N 1 0 445.950 5.316 1 0 IKAFRO O=C(NCCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000036402797 563095059 /nfs/dbraw/zinc/09/50/59/563095059.db2.gz NYDXOPYTOGGQKB-UHFFFAOYSA-N 1 0 432.995 5.965 1 0 IKAFRO Cc1ccc2c(cccc2OCC[NH+]2CCC(Cc3cccc(-c4ccncc4)c3)CC2)n1 ZINC000038460631 563097843 /nfs/dbraw/zinc/09/78/43/563097843.db2.gz MHKGSIVWVNSWNG-UHFFFAOYSA-N 1 0 437.587 5.939 1 0 IKAFRO C[C@H](C[N@@H+]1CCCC[C@@H]1CC1CCCCC1)c1cccc([C@H](O)c2ccc(Cl)cc2)c1 ZINC000039643438 563099304 /nfs/dbraw/zinc/09/93/04/563099304.db2.gz MJSHPECQCWIOCW-KPGYKUMBSA-N 1 0 440.071 7.350 1 0 IKAFRO COc1cccc(CCc2ccccc2OCCC[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000040393587 563100227 /nfs/dbraw/zinc/10/02/27/563100227.db2.gz PGVXQVRAFUTSIL-UHFFFAOYSA-N 1 0 448.582 5.211 1 0 in-vitro IKAFRO S=c1[nH]c2cccc3c2n1[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)[N@H+](CC1CC1)C3 ZINC000040519784 563104382 /nfs/dbraw/zinc/10/43/82/563104382.db2.gz HKNUJIRUVQCBJX-UIOOFZCWSA-N 1 0 439.628 6.320 1 0 IKAFRO OC[C@H]([NH2+][C@]1(c2ccccc2)c2ccccc2C[C@@H]1Cc1ccccc1)[C@H](O)c1ccccc1 ZINC000040527611 563104518 /nfs/dbraw/zinc/10/45/18/563104518.db2.gz YCEGDEQDUXNFIY-LYBRAKKWSA-N 1 0 449.594 5.029 1 0 IKAFRO Cc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCC[NH+](C(C)C)C(C)C ZINC000040567304 563105053 /nfs/dbraw/zinc/10/50/53/563105053.db2.gz YFNQMZRTEOJLQN-UHFFFAOYSA-N 1 0 430.592 6.412 1 0 IKAFRO CC(C)[NH+](CCOc1ccc(NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)cc1)C(C)C ZINC000040568565 563105214 /nfs/dbraw/zinc/10/52/14/563105214.db2.gz VOOLRVWMZSQHEC-UHFFFAOYSA-N 1 0 442.559 5.648 1 0 IKAFRO CC(C)CCC[C@@H](C)[C@@H]1CC[NH2+][C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040738198 563106105 /nfs/dbraw/zinc/10/61/05/563106105.db2.gz CNEDFRRZBUGSJK-UHJMMECTSA-N 1 0 443.760 7.367 1 0 IKAFRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1[C@@H](C)O ZINC000040767076 563106711 /nfs/dbraw/zinc/10/67/11/563106711.db2.gz OOYODHLEJJEKDF-HXUWFJFHSA-N 1 0 432.564 5.380 1 0 IKAFRO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]([NH2+]CCN)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040862955 563108395 /nfs/dbraw/zinc/10/83/95/563108395.db2.gz YKBCGZADLMFJPQ-XWEDIQBQSA-N 1 0 430.765 7.025 1 0 IKAFRO Cc1ccnc(C)c1C(=O)N1CCC([N@H+](C)CCC(c2ccccc2)c2ccccc2)CC1 ZINC000040872354 563108954 /nfs/dbraw/zinc/10/89/54/563108954.db2.gz YOKAFVFTVHZBHU-UHFFFAOYSA-N 1 0 441.619 5.457 1 0 IKAFRO CC[NH+](CC)CCNc1nc2c(nc3ccccc3c2Nc2cccc(Cl)c2)s1 ZINC000040880814 563109816 /nfs/dbraw/zinc/10/98/16/563109816.db2.gz ACYLLZGLGAOBLD-UHFFFAOYSA-N 1 0 425.989 5.995 1 0 IKAFRO Cc1ccc2nc(C=Cc3ccc(Cl)cc3)nc(NCCCCCCNC(N)=[NH2+])c2c1 ZINC000040891912 563109966 /nfs/dbraw/zinc/10/99/66/563109966.db2.gz AJJJEWSKZNVTFT-UKTHLTGXSA-N 1 0 436.991 5.217 1 0 IKAFRO COc1ccccc1N1CC[NH+](CCCCCCSc2nc3ccccc3s2)CC1 ZINC000040916098 563111346 /nfs/dbraw/zinc/11/13/46/563111346.db2.gz AZRTYWLFALZEFH-UHFFFAOYSA-N 1 0 441.666 5.780 1 0 in-vitro IKAFRO Brc1ccc(-c2nsc3cc(CCCCC[NH+]4CCOCC4)ccc32)cc1 ZINC000040935943 563112766 /nfs/dbraw/zinc/11/27/66/563112766.db2.gz CMTFYZXNPSNMTR-UHFFFAOYSA-N 1 0 445.426 5.771 1 0 IKAFRO Fc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000040974280 563115093 /nfs/dbraw/zinc/11/50/93/563115093.db2.gz QIVRFKXGHZMHEN-UHFFFAOYSA-N 1 0 444.554 5.872 1 0 IKAFRO CCN(C(C)=O)c1cccc(CC2CC[NH+](CCOc3cccc4nc(C)ccc43)CC2)c1 ZINC000040974591 563115198 /nfs/dbraw/zinc/11/51/98/563115198.db2.gz KRKQYFXRMDVHOE-UHFFFAOYSA-N 1 0 445.607 5.250 1 0 IKAFRO c1c2ccc(C3=[NH+]CCN3)cc2oc1-c1cccc(OCCCCCOc2ccccc2)c1 ZINC000043017659 563116965 /nfs/dbraw/zinc/11/69/65/563116965.db2.gz OAXRAIHRZVFYIO-UHFFFAOYSA-N 1 0 440.543 6.078 1 0 IKAFRO c1c2cc(C3=[NH+]CCN3)ccc2oc1-c1cccc(OCCCCOc2ccccc2)c1 ZINC000043076196 563118316 /nfs/dbraw/zinc/11/83/16/563118316.db2.gz QMYHGCBKXPZSSS-UHFFFAOYSA-N 1 0 426.516 5.688 1 0 IKAFRO FC(F)(F)c1cc(COC[C@]2(c3ccccc3)CCCC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000043105390 563118687 /nfs/dbraw/zinc/11/86/87/563118687.db2.gz SWRYEUIYPAAURZ-NRFANRHFSA-N 1 0 445.447 6.342 1 0 IKAFRO Cc1ccc(-n2c(-c3ncccc3Cl)nc(C[NH2+][C@H]3CC[C@@H](F)C3)c2C(C)C)cn1 ZINC000043122541 563118986 /nfs/dbraw/zinc/11/89/86/563118986.db2.gz QDXKTBFIOVZINL-SJORKVTESA-N 1 0 427.955 5.395 1 0 IKAFRO CC[NH+](CC)C1(c2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cs2)CCOCC1 ZINC000043205398 563119618 /nfs/dbraw/zinc/11/96/18/563119618.db2.gz GXWDJBMYGJCJFQ-UHFFFAOYSA-N 1 0 444.685 6.458 1 0 IKAFRO CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NC1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000045166971 563122244 /nfs/dbraw/zinc/12/22/44/563122244.db2.gz HOQKOECLDSSFII-NMRTYVQHSA-N 1 0 436.383 5.006 1 0 IKAFRO O=C(NCCCC[NH+]1CCC(c2nc3ccccc3s2)CC1)c1cc2ccccc2[nH]1 ZINC000045167886 563122438 /nfs/dbraw/zinc/12/24/38/563122438.db2.gz GGPYHZDBXZUHDB-UHFFFAOYSA-N 1 0 432.593 5.167 1 0 IKAFRO O=c1cc(NC[C@H]2CCC[C@@H]2[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)[nH]c2ccccc12 ZINC000045168248 563122582 /nfs/dbraw/zinc/12/25/82/563122582.db2.gz KELHIBZWIZFRJT-QATBIIFWSA-N 1 0 426.564 5.257 1 0 IKAFRO CCC[C@@H](CNc1cc(=O)c2ccccc2[nH]1)C[NH2+]Cc1cccc(SC(F)(F)F)c1 ZINC000045168902 563122676 /nfs/dbraw/zinc/12/26/76/563122676.db2.gz IKMSGXJRMDCLOQ-QGZVFWFLSA-N 1 0 449.542 5.758 1 0 IKAFRO Cc1cc(N[C@@H](CC(C)C)C(=O)NCc2cccc(F)c2)nc(NCC2CCCCC2)[nH+]1 ZINC000045187131 563122801 /nfs/dbraw/zinc/12/28/01/563122801.db2.gz GPVFGVBKLQWDMV-QFIPXVFZSA-N 1 0 441.595 5.059 1 0 IKAFRO O=C(Nc1ccc2c(c1)CCN2[C@H]1CC[N@H+](Cc2csc3ccccc23)C1)c1ccco1 ZINC000045169158 563122807 /nfs/dbraw/zinc/12/28/07/563122807.db2.gz KJQHQTZXUUMRBW-NRFANRHFSA-N 1 0 443.572 5.384 1 0 IKAFRO C[C@@H](Cc1ccc(-c2nc3ccccc3[nH]2)cc1)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000045187643 563122876 /nfs/dbraw/zinc/12/28/76/563122876.db2.gz BYNSWCDLIMZIJX-QMHKHESXSA-N 1 0 439.481 5.503 1 0 IKAFRO O=C(c1ccc(Cl)c(Cl)c1)N1CCc2c3ccccc3[nH]c2[C@@H]1C[NH+]1CCCC1 ZINC000045187418 563122879 /nfs/dbraw/zinc/12/28/79/563122879.db2.gz GXAUAYFFESGQAK-NRFANRHFSA-N 1 0 428.363 5.310 1 0 IKAFRO Cc1[nH]c2cc(C)ccc2c1C1=CC[N@H+](CCCC[C@@]2(C)c3cccc(F)c3NC2=O)CC1 ZINC000045187285 563122891 /nfs/dbraw/zinc/12/28/91/563122891.db2.gz BBKOHLVWYIJYFU-NDEPHWFRSA-N 1 0 445.582 6.093 1 0 IKAFRO O=C(c1ccc(Cl)c(Cl)c1)N1CCc2c3ccccc3[nH]c2[C@H]1C[NH+]1CCCC1 ZINC000045187421 563122893 /nfs/dbraw/zinc/12/28/93/563122893.db2.gz GXAUAYFFESGQAK-OAQYLSRUSA-N 1 0 428.363 5.310 1 0 IKAFRO COCC[NH2+]Cc1ccc(-c2ccc3c(c2)nccc3Nc2ccc(F)cc2Cl)o1 ZINC000045187976 563122984 /nfs/dbraw/zinc/12/29/84/563122984.db2.gz BRUUHHCAPSBTDC-UHFFFAOYSA-N 1 0 425.891 5.767 1 0 IKAFRO O=C(Nc1cccc(CN2CCC[N@H+](CC3CC3)CC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000045190098 563123467 /nfs/dbraw/zinc/12/34/67/563123467.db2.gz HQANESAYMPNCNB-UHFFFAOYSA-N 1 0 439.603 5.524 1 0 IKAFRO Cc1cccc(C[N@@H+]2CCCN(Cc3ccc(C(=O)Nc4ccc(C)c(F)c4)cc3)CC2)c1 ZINC000045190706 563123559 /nfs/dbraw/zinc/12/35/59/563123559.db2.gz DSJAKDPYPOLWEK-UHFFFAOYSA-N 1 0 445.582 5.403 1 0 IKAFRO O=C(Nc1ccc(Cl)cc1)c1ccc(C[N@@H+]2CCCN(Cc3ccsc3)CC2)cc1 ZINC000045190750 563123618 /nfs/dbraw/zinc/12/36/18/563123618.db2.gz JQPHCMRZKMLRBY-UHFFFAOYSA-N 1 0 440.012 5.362 1 0 IKAFRO CC(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)cc3)c2)C1 ZINC000045191581 563123690 /nfs/dbraw/zinc/12/36/90/563123690.db2.gz IKQCEUSIFNIATQ-DEOSSOPVSA-N 1 0 442.538 5.089 1 0 IKAFRO CCc1ccc(NC(=O)c2cccc(CN3CCC[N@H+](CC4CCCCC4)CC3)c2)cc1 ZINC000045192541 563123826 /nfs/dbraw/zinc/12/38/26/563123826.db2.gz UCDQQJLYZCLAGG-UHFFFAOYSA-N 1 0 433.640 5.589 1 0 IKAFRO CN(C)c1ccc(-c2csc(C(=O)N[C@H]3CCCC[N@H+](CCC(C)(C)C)C3)c2)cc1 ZINC000045193217 563124015 /nfs/dbraw/zinc/12/40/15/563124015.db2.gz PDUXKLQSBSEYON-NRFANRHFSA-N 1 0 427.658 5.502 1 0 IKAFRO CN1CCN(c2cc(NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)ccc2Cl)CC1 ZINC000045193742 563124071 /nfs/dbraw/zinc/12/40/71/563124071.db2.gz QGHIBGXXWROXBU-UHFFFAOYSA-N 1 0 440.374 5.665 1 0 IKAFRO O=C1CCCN1CCC[NH2+]Cc1ccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)s2)cc1 ZINC000045195240 563124431 /nfs/dbraw/zinc/12/44/31/563124431.db2.gz PWWYSTZIAYZLHZ-UHFFFAOYSA-N 1 0 448.567 5.200 1 0 IKAFRO Cc1cccc2[nH]c(-c3cccc(-c4ccc(C[NH2+]CCCN5CCCC5=O)cc4)c3)nc21 ZINC000045196287 563124580 /nfs/dbraw/zinc/12/45/80/563124580.db2.gz UMLNDEYIPZMNIE-UHFFFAOYSA-N 1 0 438.575 5.307 1 0 IKAFRO Cc1ccccc1C1CC[NH+](C2CCC(NC(=O)C3=Cc4ccccc4OC3)CC2)CC1 ZINC000045201850 563124811 /nfs/dbraw/zinc/12/48/11/563124811.db2.gz FKCYGYXGEOVMTB-UHFFFAOYSA-N 1 0 430.592 5.078 1 0 IKAFRO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)cc2)C1 ZINC000045202287 563124954 /nfs/dbraw/zinc/12/49/54/563124954.db2.gz UMHIBFZUHXYLCA-XMMPIXPASA-N 1 0 442.538 5.089 1 0 IKAFRO Cc1[nH]c2cc(F)ccc2c1C1=CC[N@H+](CCCC[C@]2(C)c3ccccc3NC2=O)CC1 ZINC000045202371 563124962 /nfs/dbraw/zinc/12/49/62/563124962.db2.gz MBBSWYDLJARDFZ-HHHXNRCGSA-N 1 0 431.555 5.785 1 0 IKAFRO COc1ccc(-c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1CN1CC[NH+](C)CC1 ZINC000045202865 563125033 /nfs/dbraw/zinc/12/50/33/563125033.db2.gz OXQYVNYPNXVJCC-UHFFFAOYSA-N 1 0 449.982 5.015 1 0 IKAFRO O=C(Nc1ccc(O[C@H]2CC[N@H+](Cc3ccsc3)C2)c(Cl)c1)c1ccc(F)cc1 ZINC000045202472 563125094 /nfs/dbraw/zinc/12/50/94/563125094.db2.gz BLXGHWCANIXPCW-IBGZPJMESA-N 1 0 430.932 5.446 1 0 IKAFRO Cc1cccc2[nH]c(-c3ccc(-c4ccc(C[NH2+]CCCN5CCCC5=O)cc4)cc3)nc21 ZINC000045209977 563125202 /nfs/dbraw/zinc/12/52/02/563125202.db2.gz VIUHVMOYHMQZAA-UHFFFAOYSA-N 1 0 438.575 5.307 1 0 IKAFRO O=C1CCCN1CCC[NH2+]Cc1cccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)c1 ZINC000045209738 563125224 /nfs/dbraw/zinc/12/52/24/563125224.db2.gz QIQOVMUOUYTAPC-UHFFFAOYSA-N 1 0 442.538 5.138 1 0 IKAFRO CC[N@@H+]1CC[C@]2(c3cccc(OC)c3)Cc3nc4ccccc4c(-c4ccccc4)c3C[C@@H]2C1 ZINC000045226853 563125393 /nfs/dbraw/zinc/12/53/93/563125393.db2.gz UEGULVGUPOVLGQ-WBBHLRKXSA-N 1 0 448.610 6.289 1 0 IKAFRO Cc1cccc(C[N@@H+]2CCCN(Cc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)CC2)c1 ZINC000045228541 563125734 /nfs/dbraw/zinc/12/57/34/563125734.db2.gz DYMPEUBOENVHAH-UHFFFAOYSA-N 1 0 448.010 5.609 1 0 IKAFRO Cc1[nH]c2cc(F)ccc2c1C1=CC[N@H+](CCCC[C@]2(C)c3cccc(F)c3NC2=O)CC1 ZINC000045228929 563125828 /nfs/dbraw/zinc/12/58/28/563125828.db2.gz UWPLSEIKDQMWIO-HHHXNRCGSA-N 1 0 449.545 5.924 1 0 IKAFRO CC(=O)Nc1cccc(C[NH2+]Cc2ccc(-c3cnc(N4CCCC(C)(C)C4)nc3)cc2)c1 ZINC000045228948 563125862 /nfs/dbraw/zinc/12/58/62/563125862.db2.gz PZYXOMVJXROVHH-UHFFFAOYSA-N 1 0 443.595 5.018 1 0 IKAFRO O[C@H](C[NH2+]Cc1ccccc1)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 ZINC000045230240 563126130 /nfs/dbraw/zinc/12/61/30/563126130.db2.gz WMRFZVDNYFZHFV-GDLZYMKVSA-N 1 0 439.555 5.668 1 0 IKAFRO O=C1Nc2cccc3c2[C@]1(CCCCC[N@H+]1CC=C(c2c[nH]c4ccccc24)CC1)CCC3 ZINC000045230663 563126233 /nfs/dbraw/zinc/12/62/33/563126233.db2.gz YITRFDKXVGYFEH-LJAQVGFWSA-N 1 0 439.603 6.044 1 0 IKAFRO O=C1Nc2cccc3c2[C@@]1(CCCCC[N@H+]1CC=C(c2c[nH]c4ccccc24)CC1)CCC3 ZINC000045230660 563126239 /nfs/dbraw/zinc/12/62/39/563126239.db2.gz YITRFDKXVGYFEH-GDLZYMKVSA-N 1 0 439.603 6.044 1 0 IKAFRO C[NH+](C)CC[C@H](NC(=O)c1ccc(-c2ccc3ccccc3c2)cc1)c1ccc(Cl)cc1 ZINC000045286031 563128285 /nfs/dbraw/zinc/12/82/85/563128285.db2.gz FFUFKLCLQGPCRM-MHZLTWQESA-N 1 0 442.990 6.583 1 0 IKAFRO C[NH+](C)CC[C@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 ZINC000045286648 563128336 /nfs/dbraw/zinc/12/83/36/563128336.db2.gz UEQRAYKOWRQJKB-QHCPKHFHSA-N 1 0 427.375 6.083 1 0 IKAFRO Clc1ccc2c(c1)nccc2NCC[NH2+]CCN(Cc1ccccc1)Cc1ccccc1 ZINC000045289122 563128675 /nfs/dbraw/zinc/12/86/75/563128675.db2.gz UCDMRDREPWCOGR-UHFFFAOYSA-N 1 0 445.010 5.592 1 0 IKAFRO Cc1ccc(NC(=O)c2ccc3ncccc3c2)cc1O[C@@H]1CC[N@H+](Cc2ccco2)C1 ZINC000045301735 563129307 /nfs/dbraw/zinc/12/93/07/563129307.db2.gz INUJBOMTBYEIKV-HSZRJFAPSA-N 1 0 427.504 5.042 1 0 IKAFRO CC(C)c1ccc(C[NH+]2CCC(NC(=O)c3ccc(-c4ccccc4F)s3)CC2)cc1 ZINC000045303216 563129722 /nfs/dbraw/zinc/12/97/22/563129722.db2.gz YFWNVYLVHOPFIY-UHFFFAOYSA-N 1 0 436.596 6.072 1 0 IKAFRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(-c2cc3cc(Cl)c(Cl)cc3[nH]2)c1 ZINC000045317813 563130033 /nfs/dbraw/zinc/13/00/33/563130033.db2.gz CNVACQAZJPGNQX-MRXNPFEDSA-N 1 0 444.406 6.136 1 0 IKAFRO CN(C)CC[NH2+]Cc1ccc(-c2ccc3c(c2)nccc3Nc2ccc(F)cc2Cl)o1 ZINC000045321712 563130270 /nfs/dbraw/zinc/13/02/70/563130270.db2.gz IKNPKTVJYFMFKN-UHFFFAOYSA-N 1 0 438.934 5.682 1 0 IKAFRO CC(C)c1ccc(C[NH+]2CCC(NC(=O)c3ccc(-c4cccc(F)c4)s3)CC2)cc1 ZINC000045321764 563130277 /nfs/dbraw/zinc/13/02/77/563130277.db2.gz WUKJRPJQSGERPK-UHFFFAOYSA-N 1 0 436.596 6.072 1 0 IKAFRO CC(C)c1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3cc(-c4ccccc4F)cs3)C2)cc1 ZINC000045322085 563130340 /nfs/dbraw/zinc/13/03/40/563130340.db2.gz KNYWTMDGRGSBNL-HXUWFJFHSA-N 1 0 436.596 5.930 1 0 IKAFRO C[NH+]1CCC(c2ccc(NC(=O)c3ccc(-c4cccc(C(F)(F)F)c4)o3)cc2)CC1 ZINC000045324031 563130771 /nfs/dbraw/zinc/13/07/71/563130771.db2.gz QSUDVHUEFSSMQA-UHFFFAOYSA-N 1 0 428.454 6.027 1 0 IKAFRO CC(C)[NH2+]Cc1cccc(-c2ccc([N-]S(=O)(=O)c3cccc4cccnc43)cc2)c1 ZINC000045334331 563131033 /nfs/dbraw/zinc/13/10/33/563131033.db2.gz YKVWIROASYGZAS-UHFFFAOYSA-N 1 0 431.561 5.201 1 0 IKAFRO CCCc1ccc(NC(=O)c2ccc(CN3CCC[N@H+](CC4CCCCC4)CC3)cc2)cc1 ZINC000045334495 563131115 /nfs/dbraw/zinc/13/11/15/563131115.db2.gz NVSQPMCPRXMPJT-UHFFFAOYSA-N 1 0 447.667 5.979 1 0 IKAFRO CN1CCC[N@H+](Cc2cccc(-c3cccc(NC(=O)c4ccc(Cl)cc4)c3)c2)CC1 ZINC000045334913 563131163 /nfs/dbraw/zinc/13/11/63/563131163.db2.gz QHYAWKYGYNQCKI-UHFFFAOYSA-N 1 0 433.983 5.397 1 0 IKAFRO FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4cccc(C[NH+]5CCCCC5)c4)cc3)nc2c1 ZINC000045335213 563131267 /nfs/dbraw/zinc/13/12/67/563131267.db2.gz MHRMCPAHPCTBBG-UHFFFAOYSA-N 1 0 435.493 6.902 1 0 IKAFRO CCc1ccc(NC(=O)c2ccc(CN3CCC[N@H+](Cc4ccc(C)s4)CC3)cc2)cc1 ZINC000045335576 563131272 /nfs/dbraw/zinc/13/12/72/563131272.db2.gz DNSWTHMJBNREMD-UHFFFAOYSA-N 1 0 447.648 5.579 1 0 IKAFRO c1ccc(C[NH2+]CCn2c3cccc(N4CCCC4)c3nc2-c2ccc3c(c2)CCO3)cc1 ZINC000045336239 563131526 /nfs/dbraw/zinc/13/15/26/563131526.db2.gz JSHJDEUVUZWKAE-UHFFFAOYSA-N 1 0 438.575 5.028 1 0 IKAFRO CCC[C@H](C)C[NH+]1CCC(c2ccc(C(=O)N(CC)CC)cc2)(c2cccc(O)c2)CC1 ZINC000045348132 563131958 /nfs/dbraw/zinc/13/19/58/563131958.db2.gz YYGANWYSRJGLHQ-QFIPXVFZSA-N 1 0 436.640 5.692 1 0 IKAFRO CCC[C@@H](C)C[NH+]1CCC(c2ccc(C(=O)N(CC)CC)cc2)(c2cccc(O)c2)CC1 ZINC000045348129 563131996 /nfs/dbraw/zinc/13/19/96/563131996.db2.gz YYGANWYSRJGLHQ-JOCHJYFZSA-N 1 0 436.640 5.692 1 0 IKAFRO NC(=[NH2+])c1cc2c(cccc2O[C@@H](COC(=O)Nc2ccccc2)c2ccccc2)s1 ZINC000045355372 563132506 /nfs/dbraw/zinc/13/25/06/563132506.db2.gz OGMFURJUWYVEFV-FQEVSTJZSA-N 1 0 431.517 5.554 1 0 IKAFRO OC1(c2ccc(Cl)cc2)CC[NH+](CCO[C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000045357882 563132795 /nfs/dbraw/zinc/13/27/95/563132795.db2.gz WZEIKAWGDAAIIE-RUZDIDTESA-N 1 0 439.958 5.569 1 0 IKAFRO Clc1cccc(/C=C(\c2ccccc2)N2CC[NH+](CCCCc3ccccc3)CC2)c1 ZINC000045365087 563132973 /nfs/dbraw/zinc/13/29/73/563132973.db2.gz TWRMHPQWXFJRPM-WEMUOSSPSA-N 1 0 431.023 6.479 1 0 IKAFRO O[C@H](C[NH2+]CCc1ccccc1)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000045384228 563133698 /nfs/dbraw/zinc/13/36/98/563133698.db2.gz HVQUFOSYNSVFOW-QGZVFWFLSA-N 1 0 428.376 5.138 1 0 IKAFRO CN1c2ccc(OC(=O)NCC3CCCCC3)cc2[C@]2(C)CC[N@@H+](CCc3ccccc3)[C@H]12 ZINC000049033710 563136069 /nfs/dbraw/zinc/13/60/69/563136069.db2.gz OSMWANBXVVPETF-XCZPVHLTSA-N 1 0 447.623 5.337 1 0 IKAFRO [NH3+][C@H](CNc1cnc(-c2ccc3cnccc3c2)s1)Cc1ccc(C(F)(F)F)cc1 ZINC000049034164 563136110 /nfs/dbraw/zinc/13/61/10/563136110.db2.gz YZANFKNGZATACL-IBGZPJMESA-N 1 0 428.483 5.359 1 0 IKAFRO CCCC[N@H+](CC)Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C ZINC000049052200 563136942 /nfs/dbraw/zinc/13/69/42/563136942.db2.gz ALENSGWGHGELMK-UHFFFAOYSA-N 1 0 440.941 6.344 1 0 IKAFRO C[NH+](C)CCCC(=O)Nc1ccc2nccc(Nc3cccc(Br)c3)c2c1 ZINC000049067412 563137356 /nfs/dbraw/zinc/13/73/56/563137356.db2.gz PHFAEZLTGYDQNR-UHFFFAOYSA-N 1 0 427.346 5.021 1 0 IKAFRO C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]21C=C[C@](c2ccccc2)([C@@H]3O5)[C@@H](C(C)(C)C)C1 ZINC000049072516 563137901 /nfs/dbraw/zinc/13/79/01/563137901.db2.gz IVFBHEUGFZPVME-FNOJTLJASA-N 1 0 427.588 5.211 1 0 IKAFRO O=C1Nc2ccccc2[C@]12[NH2+][C@H](c1ccccc1)[C@@H](c1ccccc1)[C@]21CCCCCC1=O ZINC000049125279 563138830 /nfs/dbraw/zinc/13/88/30/563138830.db2.gz QKIBAWPZFYWVCL-HTCHUFIESA-N 1 0 436.555 5.482 1 0 IKAFRO [NH3+]CCc1cn(CCCCCc2ccccc2)c2ccc(OCCc3ccc(O)cc3)cc12 ZINC000049785022 563139678 /nfs/dbraw/zinc/13/96/78/563139678.db2.gz DWONHRHKVDPIOX-UHFFFAOYSA-N 1 0 442.603 5.883 1 0 IKAFRO C[N@H+](Cc1ccc(C(=O)Nc2ccccc2N)cc1)Cc1ccc(-c2cccs2)cc1 ZINC000049808002 563140239 /nfs/dbraw/zinc/14/02/39/563140239.db2.gz BRSWNMBVHJCSLC-UHFFFAOYSA-N 1 0 427.573 5.882 1 0 IKAFRO CCCC[N@@H+]1CC[C@@H](CC[C@@H](O)c2ccnc3ccc(OCCC(C)C)cc32)[C@@H](CC)C1 ZINC000052996428 563140931 /nfs/dbraw/zinc/14/09/31/563140931.db2.gz PMKWABGHXQZTGO-SXDGJLEOSA-N 1 0 440.672 6.622 1 0 IKAFRO CC[NH+](CC)CCCNCc1cc2c3ccccc3n(CCCc3ccccc3)c2cn1 ZINC000053295621 563141814 /nfs/dbraw/zinc/14/18/14/563141814.db2.gz MTWKYGNTJHSKAN-UHFFFAOYSA-N 1 0 428.624 5.644 1 0 IKAFRO CCc1cc2cc([C@@H](CC[NH+]3CCCCC3)Cc3ccc4c(c3)OCCO4)ccc2[nH]c1=O ZINC000053313714 563142073 /nfs/dbraw/zinc/14/20/73/563142073.db2.gz OUKAFGPUQWPFJU-QHCPKHFHSA-N 1 0 446.591 5.064 1 0 IKAFRO CC(C)[N@@H+]1CC2(CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000058502029 563143724 /nfs/dbraw/zinc/14/37/24/563143724.db2.gz IVIJESHEJVFCAI-OAQYLSRUSA-N 1 0 433.930 5.698 1 0 IKAFRO CSc1ccc(-c2ccc3nccc(Nc4ccc(N5CC[NH+](C)CC5)cc4)c3c2)cc1 ZINC000058534742 563143960 /nfs/dbraw/zinc/14/39/60/563143960.db2.gz WKWSSSBOFOOKQN-UHFFFAOYSA-N 1 0 440.616 6.119 1 0 IKAFRO CCCC[N@@H+]1C[C@H](C(=O)OC2CCCCC2)C[C@@H]2c3cccc4c3c(cn4C(C)C)C[C@H]21 ZINC000058558779 563144472 /nfs/dbraw/zinc/14/44/72/563144472.db2.gz ONLUPAGVWPDBBI-YMVVMYQSSA-N 1 0 436.640 6.228 1 0 IKAFRO Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@@H]2CO[C@H](c2ccccc2)c2ccc(Cl)cc2)[N@@H+]3C)cc1 ZINC000058575294 563144758 /nfs/dbraw/zinc/14/47/58/563144758.db2.gz SWUYKZCLBQJENR-SXEGYFPYSA-N 1 0 446.034 7.021 1 0 IKAFRO CC[NH+](CC)Cc1cc(-c2ccc(N)cc2)n(Nc2ccnc3cc(Cl)ccc32)c1C ZINC000058591032 563145412 /nfs/dbraw/zinc/14/54/12/563145412.db2.gz QRMCKZVNYPTGAE-UHFFFAOYSA-N 1 0 433.987 5.964 1 0 IKAFRO Cc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)ccc1N1CC[C@H]([N@H+]2CCC[C@@H]2C)C1 ZINC000059260216 563146409 /nfs/dbraw/zinc/14/64/09/563146409.db2.gz RHEVIGLLTLURAQ-KKSFZXQISA-N 1 0 447.410 6.009 1 0 IKAFRO c1ccc([C@@H]2[C@H]3C[N@@H+](Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cc1 ZINC000059938827 563146919 /nfs/dbraw/zinc/14/69/19/563146919.db2.gz QVEISLUVGUTKAZ-ALQBRSPBSA-N 1 0 442.606 6.770 3 0 IKAFRO [NH3+][C@H](Cc1ccc(C(F)(F)F)cc1)c1csc(NC(=O)Nc2ccccc2Cl)n1 ZINC000061896102 563147354 /nfs/dbraw/zinc/14/73/54/563147354.db2.gz QNNNUFTUJNEHBA-CQSZACIVSA-N 1 0 440.878 5.702 3 0 IKAFRO CC(=O)Nc1cc(-c2ccccc2C[NH+](C)C)cn2c(-c3ccc(F)c(Cl)c3)cnc12 ZINC000061903540 563147942 /nfs/dbraw/zinc/14/79/42/563147942.db2.gz XDCUJFGORDCPFN-UHFFFAOYSA-N 1 0 436.918 5.481 3 0 IKAFRO CCCCCC[N@@H+]1C[C@H](O)[C@@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1c1ccc(C)cc1 ZINC000061923851 563149653 /nfs/dbraw/zinc/14/96/53/563149653.db2.gz NLUWSXLDLFCXDE-ZNZIZOMTSA-N 1 0 436.575 5.322 3 0 IKAFRO COc1ccc(C[C@@H]([NH3+])c2csc(NC(=O)Nc3ccccc3-c3ccccc3)n2)cc1 ZINC000061926869 563150052 /nfs/dbraw/zinc/15/00/52/563150052.db2.gz GFJCRDSTIDFPAZ-OAQYLSRUSA-N 1 0 444.560 5.705 3 0 IKAFRO Clc1ccc2c(c1)nccc2NCCCN1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000064251908 563152509 /nfs/dbraw/zinc/15/25/09/563152509.db2.gz VSFJFRGRJCHPPX-UHFFFAOYSA-N 1 0 439.047 5.133 1 0 IKAFRO Oc1ccc2c(c1)nc(-c1ccccc1)n2Cc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000064251813 563152513 /nfs/dbraw/zinc/15/25/13/563152513.db2.gz GBXULBDLBYZZIO-UHFFFAOYSA-N 1 0 427.548 5.322 1 0 IKAFRO C[NH2+]CC[C@@H](c1ccc2cc(-c3cc(OC)cc4ccccc43)ccc2c1)n1nnc(C)n1 ZINC000064373133 563152825 /nfs/dbraw/zinc/15/28/25/563152825.db2.gz KXIANTQTTWQIDL-MHZLTWQESA-N 1 0 437.547 5.162 1 0 IKAFRO O=C(Nc1ccccc1Cl)c1cc2c(cccc2OCCC[NH2+]Cc2cccnc2)[nH]1 ZINC000064516536 563154220 /nfs/dbraw/zinc/15/42/20/563154220.db2.gz RCSUBSVHQFPKEC-UHFFFAOYSA-N 1 0 434.927 5.027 1 0 IKAFRO COc1ccc2cc(C[NH2+]CCc3ccc(Br)cc3)c(-c3ccccc3)nc2c1 ZINC000064540499 563155332 /nfs/dbraw/zinc/15/53/32/563155332.db2.gz REZBXYOPCMKVPR-UHFFFAOYSA-N 1 0 447.376 6.005 1 0 IKAFRO C[NH+]1CCC(C(=O)OCc2ccc3ccccc3c2)(c2ccc(Cl)c(Cl)c2)CC1 ZINC000064559056 563155891 /nfs/dbraw/zinc/15/58/91/563155891.db2.gz UHHMZXPWZFKHSN-UHFFFAOYSA-N 1 0 428.359 5.853 1 0 IKAFRO O=C(OCc1ccc(C(F)(F)F)cc1)C1(c2ccc(Cl)c(Cl)c2)CC[NH2+]CC1 ZINC000064573728 563156518 /nfs/dbraw/zinc/15/65/18/563156518.db2.gz RAEVJIGUTTXRQM-UHFFFAOYSA-N 1 0 432.269 5.377 1 0 IKAFRO Clc1ccc(CN[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000066065889 563156896 /nfs/dbraw/zinc/15/68/96/563156896.db2.gz AHUOBESNXKKXAS-WOJBJXKFSA-N 1 0 432.222 6.491 1 0 IKAFRO O=C(CCC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cc2ccn3c2c(c1)CCC3=O ZINC000066101724 563158381 /nfs/dbraw/zinc/15/83/81/563158381.db2.gz RUSFDUFFEYGRCA-UHFFFAOYSA-N 1 0 434.967 5.756 1 0 IKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2nc(C(F)(F)F)cc(C)c2c1-c1cccc(C)c1 ZINC000066103470 563158561 /nfs/dbraw/zinc/15/85/61/563158561.db2.gz DOUBAAUEXPRTNT-INIZCTEOSA-N 1 0 431.502 6.085 1 0 IKAFRO COc1cc(C)c2c(n1)c(N[C@@H](C)CCC[NH3+])cc(OC)c2-c1cccc(C(F)(F)F)c1 ZINC000066156541 563159582 /nfs/dbraw/zinc/15/95/82/563159582.db2.gz VKIVVYWMHSEPGB-HNNXBMFYSA-N 1 0 447.501 5.786 1 0 IKAFRO O=C1NCN(c2ccccc2)C12CC[NH+](CCCC(c1ccccc1)c1ccccc1)CC2 ZINC000066251211 563159874 /nfs/dbraw/zinc/15/98/74/563159874.db2.gz ISEJZQCALKUCPG-UHFFFAOYSA-N 1 0 439.603 5.027 1 0 IKAFRO Fc1ccc(C(CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)c2ccc(F)cc2)cc1 ZINC000066251911 563160072 /nfs/dbraw/zinc/16/00/72/563160072.db2.gz XNHSSWJMCKYKBU-UHFFFAOYSA-N 1 0 440.965 6.353 1 0 IKAFRO COc1cc(COc2ccc([C@@H](O)C3CC3)cc2)ccc1OCC[NH+](C(C)C)C(C)C ZINC000066258942 563160413 /nfs/dbraw/zinc/16/04/13/563160413.db2.gz CGUPOCPRGZAXBN-SANMLTNESA-N 1 0 427.585 5.215 1 0 IKAFRO CC[NH+](CC)CCCn1cc(NC(=O)Nc2cccc(-c3ccccc3)n2)c2ccccc21 ZINC000071315806 563161877 /nfs/dbraw/zinc/16/18/77/563161877.db2.gz MQWVEAOOBIFCPO-UHFFFAOYSA-N 1 0 441.579 6.079 1 0 IKAFRO c1ccc(Nc2nc3cc4c(cc3s2)C[C@@H]2[C@@H]3CCCC[C@]43CC[N@H+]2CC2CC2)nc1 ZINC000071329898 563162390 /nfs/dbraw/zinc/16/23/90/563162390.db2.gz IAKCLNPXVSMCSV-IATMXGELSA-N 1 0 430.621 5.903 1 0 IKAFRO CC(C)c1ccc(C=C2C[N@H+](C)CC3C2=NC(=S)N[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000071334404 563162524 /nfs/dbraw/zinc/16/25/24/563162524.db2.gz BUCKPVPECSLPLN-AQIZGWBQSA-N 1 0 431.649 5.735 1 0 IKAFRO CCCc1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)CC[C@@H](C[NH+](C)C)C4)cc2)cc1 ZINC000072113157 563163544 /nfs/dbraw/zinc/16/35/44/563163544.db2.gz GLGPWCKZXKIUPZ-JOCHJYFZSA-N 1 0 426.604 6.225 1 0 IKAFRO Cc1ccc([C@@H]2C[C@H](O)[C@H](n3cc(-c4ccc(F)cc4)nn3)C[N@@H+]2CC2CCCCC2)cc1 ZINC000072139911 563164421 /nfs/dbraw/zinc/16/44/21/563164421.db2.gz UTYLZLRTMAUBIK-VJGNERBWSA-N 1 0 448.586 5.322 1 0 IKAFRO Cc1ccc([C@@H]2C[C@@H](O)[C@H](n3cc(-c4ccc(F)cc4)nn3)C[N@@H+]2CC2CCCCC2)cc1 ZINC000072139913 563164478 /nfs/dbraw/zinc/16/44/78/563164478.db2.gz UTYLZLRTMAUBIK-OYUWMTPXSA-N 1 0 448.586 5.322 1 0 IKAFRO CC[NH2+]Cc1cncc(-c2ccc3[nH]nc(-c4nc5cc(Cl)c(C)cc5[nH]4)c3c2)c1C ZINC000072177891 563166096 /nfs/dbraw/zinc/16/60/96/563166096.db2.gz XYGBLOQEDZWSKT-UHFFFAOYSA-N 1 0 430.943 5.548 1 0 IKAFRO COc1cc2cnccc2cc1C(=O)N[C@@H](c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000072178697 563166265 /nfs/dbraw/zinc/16/62/65/563166265.db2.gz MJONRYHHUGUWTD-JOCHJYFZSA-N 1 0 444.362 5.021 1 0 IKAFRO O=C(Nc1ccccc1)c1ccc(OCCC[NH+]2CCCC2)cc1OCc1ccccc1 ZINC000072182600 563167485 /nfs/dbraw/zinc/16/74/85/563167485.db2.gz RTZPKNVEYPCHHZ-UHFFFAOYSA-N 1 0 430.548 5.383 1 0 IKAFRO Fc1ccccc1N1CCC([NH2+][C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072184713 563167851 /nfs/dbraw/zinc/16/78/51/563167851.db2.gz DRQPQGJCMCMGNE-HSZRJFAPSA-N 1 0 429.461 5.588 1 0 IKAFRO O=C(c1ccccc1)N1CCC([NH2+][C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072186443 563168312 /nfs/dbraw/zinc/16/83/12/563168312.db2.gz ALAOOQMIFYSRCU-QHCPKHFHSA-N 1 0 439.481 5.084 1 0 IKAFRO Nc1[nH+]c(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cn1Cc1cc(F)cc(F)c1 ZINC000073224619 563171062 /nfs/dbraw/zinc/17/10/62/563171062.db2.gz PFPJTKZZKNKFFS-UHFFFAOYSA-N 1 0 443.419 6.068 1 0 IKAFRO CC(=O)N[C@@H]1CC2(CC[NH+](Cc3ccc4[nH]c5ccc(F)cc5c4c3)CC2)c2ccccc21 ZINC000073240836 563171370 /nfs/dbraw/zinc/17/13/70/563171370.db2.gz BIJXIXLVCDMUDB-HHHXNRCGSA-N 1 0 441.550 5.575 1 0 IKAFRO O=C(CCCC[N@H+]1CCCN(c2ccc(Cl)cc2)CC1)c1nc2ccccc2s1 ZINC000082151618 563173273 /nfs/dbraw/zinc/17/32/73/563173273.db2.gz QLTASWSCCMMISJ-UHFFFAOYSA-N 1 0 428.001 5.515 1 0 IKAFRO Clc1ccc(C[C@@H]2Cc3ccccc3[C@H]2[NH+]2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000082151875 563173393 /nfs/dbraw/zinc/17/33/93/563173393.db2.gz NUNCZTOTHHYKSZ-LVXARBLLSA-N 1 0 437.414 6.272 1 0 IKAFRO Clc1cnc2nc1Nc1cccc(c1)CCc1cc(ccc1OCC[NH+]1CCCC1)N2 ZINC000082155452 563173572 /nfs/dbraw/zinc/17/35/72/563173572.db2.gz SEYQSNUEPJIPOP-UHFFFAOYSA-N 1 0 435.959 5.190 1 0 IKAFRO Cc1cnc(Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)nc1-c1ccc(F)c(Cl)c1 ZINC000084604871 563174219 /nfs/dbraw/zinc/17/42/19/563174219.db2.gz JWXGFEWBPUXKHX-UHFFFAOYSA-N 1 0 439.966 5.519 1 0 IKAFRO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](C[C@H](O)CSc1ccccc1C)CC2 ZINC000084690810 563176502 /nfs/dbraw/zinc/17/65/02/563176502.db2.gz OZMKKJGPXDCKLL-CUNXSJBXSA-N 1 0 449.616 5.113 1 0 IKAFRO CO[C@@H]1Cc2cc(-c3ccc(C(C)=O)cc3)sc2C2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000095554158 563181128 /nfs/dbraw/zinc/18/11/28/563181128.db2.gz SUUYLWKDFAAXFF-VWLOTQADSA-N 1 0 447.600 5.654 1 0 IKAFRO O=C(c1cc2c(cccc2OCC[NH+]2CCCCC2)[nH]1)c1ccc(Oc2ccccc2)cc1 ZINC000095558153 563181740 /nfs/dbraw/zinc/18/17/40/563181740.db2.gz KYXYHWNMHJAERZ-UHFFFAOYSA-N 1 0 440.543 6.056 1 0 IKAFRO Cc1nc2ccccc2n1C1(C)CC[NH+](CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000095559485 563182012 /nfs/dbraw/zinc/18/20/12/563182012.db2.gz LKGIWTVSYFHATA-DEOSSOPVSA-N 1 0 444.623 5.203 1 0 IKAFRO OC(c1ccccc1)(c1ccccc1)C1CC[NH+](CCCOc2ccccc2Cl)CC1 ZINC000095566147 563183409 /nfs/dbraw/zinc/18/34/09/563183409.db2.gz FENVJNBFQDMSJX-UHFFFAOYSA-N 1 0 435.995 5.757 3 0 IKAFRO Oc1ccc2sc(-c3ccccc3O)c(-c3ccc(OCC[NH+]4CCCCC4)cc3)c2c1 ZINC000095570782 563184346 /nfs/dbraw/zinc/18/43/46/563184346.db2.gz RZNIAKRFWKDGNV-UHFFFAOYSA-N 1 0 445.584 6.511 3 0 IKAFRO C[N@H+](CCCCCCCCOc1ccc(-c2cc3ccccc3o2)cc1)Cc1ccccc1 ZINC000095580166 563187151 /nfs/dbraw/zinc/18/71/51/563187151.db2.gz XJDLLFSQHKHBTJ-UHFFFAOYSA-N 1 0 441.615 7.951 1 0 IKAFRO C[n+]1c(CCCOc2ccc(Cl)cc2)cccc1CCCOc1ccc(Cl)cc1 ZINC000095584229 563188573 /nfs/dbraw/zinc/18/85/73/563188573.db2.gz KVXDNUSQIINBHQ-UHFFFAOYSA-N 1 0 431.383 5.841 1 0 IKAFRO C[NH+]1CCC(COCc2cc(C(F)(F)F)cc(C3(F)CC3)n2)(c2ccc(F)cc2)CC1 ZINC000095590775 563190114 /nfs/dbraw/zinc/19/01/14/563190114.db2.gz UTEKOQDHDIGPGY-UHFFFAOYSA-N 1 0 440.456 5.378 1 0 IKAFRO O=Cc1ccc(/C(=C(\F)c2ccccc2)c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000095592204 563190454 /nfs/dbraw/zinc/19/04/54/563190454.db2.gz KPNDUWLDNMXGBM-BYYHNAKLSA-N 1 0 429.535 6.250 1 0 IKAFRO CC(C)CC[NH+](CCC(C)C)CC(=O)Nc1nc2ccc(Br)cc2s1 ZINC000095593595 563190699 /nfs/dbraw/zinc/19/06/99/563190699.db2.gz MTHMREYNENAMOR-UHFFFAOYSA-N 1 0 426.424 5.392 1 0 IKAFRO CC[NH+](CC)CC[C@@H](C)COc1c(I)cc(Cl)c2cccnc21 ZINC000095595617 563191387 /nfs/dbraw/zinc/19/13/87/563191387.db2.gz LMXUQTMBNNWOFJ-CYBMUJFWSA-N 1 0 446.760 5.240 1 0 IKAFRO C[N@@H+]1CCCC[C@@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1 ZINC000095601479 563192868 /nfs/dbraw/zinc/19/28/68/563192868.db2.gz FVMGZIMTEZPJGA-OAQYLSRUSA-N 1 0 445.447 6.295 1 0 IKAFRO FC(F)(F)c1cc(COC[C@]2(c3ccccc3)CCCC[NH2+]C2)cc(C(F)(F)F)c1 ZINC000095603614 563193482 /nfs/dbraw/zinc/19/34/82/563193482.db2.gz GDUGRYUTQQIHKS-FQEVSTJZSA-N 1 0 431.420 5.952 1 0 IKAFRO Cc1cccc(C)c1NC(=O)[C@H](CCc1ccccc1)[NH+]1CCC(c2ccccc2)CC1 ZINC000095604287 563193725 /nfs/dbraw/zinc/19/37/25/563193725.db2.gz KZBZCHCQIRZEDO-MHZLTWQESA-N 1 0 426.604 6.123 3 0 IKAFRO OC[C@@H]1[C@H](c2ccc(/C=C/c3ccccc3)cc2)[C@H]2CN(CCC(F)(F)F)CCCC[N@H+]12 ZINC000095874584 563194785 /nfs/dbraw/zinc/19/47/85/563194785.db2.gz YDYRRCDCXTUINZ-OJTBORJGSA-N 1 0 444.541 5.034 1 0 IKAFRO Cc1ccc(OCC(C)C)c(-c2cccn3nc(Nc4ccc5c(c4)CC[NH2+]CC5)nc23)c1 ZINC000096169808 563195482 /nfs/dbraw/zinc/19/54/82/563195482.db2.gz QNZRJUZWBKOTBB-UHFFFAOYSA-N 1 0 441.579 5.171 1 0 IKAFRO C[NH+](C)Cc1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)c(F)c1 ZINC000096269947 563196630 /nfs/dbraw/zinc/19/66/30/563196630.db2.gz ONQDESOFKJMXHM-UHFFFAOYSA-N 1 0 436.531 6.016 1 0 IKAFRO OC[C@@H]1CCC[N@@H+]1CCc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000096273979 563196919 /nfs/dbraw/zinc/19/69/19/563196919.db2.gz RTFDXMCUMYSUSC-DEOSSOPVSA-N 1 0 429.589 5.706 1 0 IKAFRO O[C@@H]1CCC[N@H+](CCc2ccc(Nc3nc(-c4ccc5ccccc5c4)cs3)cc2)C1 ZINC000096273988 563196980 /nfs/dbraw/zinc/19/69/80/563196980.db2.gz CNRBVGMQUDYZPO-XMMPIXPASA-N 1 0 429.589 5.706 1 0 IKAFRO Cc1cc(N2CC[C@@H]([N@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccc(-c2ccccn2)cc1 ZINC000096929257 563198520 /nfs/dbraw/zinc/19/85/20/563198520.db2.gz AOYJPGTZUIDPNV-SQJMNOBHSA-N 1 0 440.591 5.372 1 0 IKAFRO Cc1cc(N2CC[C@@H]([N@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccc(-c2cccnc2)cc1 ZINC000096929259 563198526 /nfs/dbraw/zinc/19/85/26/563198526.db2.gz OOXBDMODOQZHBO-HFZDXXHNSA-N 1 0 440.591 5.372 1 0 IKAFRO Cc1cc(N2CC[C@H]([N@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccc(-c2ccncc2)cc1 ZINC000096929260 563198571 /nfs/dbraw/zinc/19/85/71/563198571.db2.gz GUICKVKRJDGKHK-LVXARBLLSA-N 1 0 440.591 5.372 1 0 IKAFRO C[C@@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(NC(=O)c3ccccc3F)c(C(F)(F)F)c2)C1 ZINC000096929276 563198591 /nfs/dbraw/zinc/19/85/91/563198591.db2.gz VQACOJQVPZPBMB-NVXWUHKLSA-N 1 0 435.465 5.160 1 0 IKAFRO COc1cccc(CSc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)c1 ZINC000096939344 563199997 /nfs/dbraw/zinc/19/99/97/563199997.db2.gz QEFSGBBNICILSF-UHFFFAOYSA-N 1 0 434.669 7.569 1 0 IKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(O)c3)O2)[C@H]2C(C)=CC(C)(C)[NH2+][C@H]2C=C1 ZINC000028823493 581097664 /nfs/dbraw/zinc/09/76/64/581097664.db2.gz ATJGOPJRRWGHHL-QYDDIFPFSA-N 1 0 429.516 5.176 1 0 IKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(C)c3)O2)[C@@H]2C(C)=CC(C)(C)[NH2+][C@H]2C=C1 ZINC000028823482 581099638 /nfs/dbraw/zinc/09/96/38/581099638.db2.gz OSRXVTVKOPCOGY-BRWTVWLVSA-N 1 0 427.544 5.779 1 0 IKAFRO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3n2)CC1 ZINC000004572042 535743183 /nfs/dbraw/zinc/74/31/83/535743183.db2.gz CAVCTOGSRWVGJI-UHFFFAOYSA-N 1 0 430.596 5.235 1 0 IKAFRO COc1cc(C)cc2c1c(OC)cc(C)c2-c1c(OC)cc(OC)c2c1C[C@H](C)[NH2+][C@@H]2C ZINC000095486162 560061585 /nfs/dbraw/zinc/06/15/85/560061585.db2.gz WIFADUSQCWLURQ-DLBZAZTESA-N 1 0 435.564 5.753 1 0 biogenic,in-vitro IKAFRO CC[NH2+]Cc1ccccc1Cc1cc(O)cc(C[C@H]2CCC[C@H]([C@@]3(C)C=CC[C@H](C)C3)C2)c1 ZINC000085543557 560071016 /nfs/dbraw/zinc/07/10/16/560071016.db2.gz BAMHUWBHGBFMIO-OKABYJMHSA-N 1 0 445.691 7.434 1 0 biogenic,in-vitro IKAFRO CCCC[C@H]([NH3+])CCC[C@H](C=Cc1ccccc1)CC[C@H](C=CC(=O)[O-])NC1=[NH+]CC=C1 ZINC000085510316 560073981 /nfs/dbraw/zinc/07/39/81/560073981.db2.gz UZMLGVRTGVOMSC-NVPPJATESA-N 1 0 436.620 6.019 1 0 biogenic,in-vitro IKAFRO Nc1nc(-c2ccc(F)cc2)c([C@H]2CC[N@H+](CCCC(=O)c3ccc(F)cc3)C2)s1 ZINC000000838738 560178770 /nfs/dbraw/zinc/17/87/70/560178770.db2.gz PMIAIKWRXUGRQG-KRWDZBQOSA-N 1 0 427.520 5.123 1 0 in-vitro IKAFRO COc1cccc2c1CC[C@H]([NH+]1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000000596793 562918515 /nfs/dbraw/zinc/91/85/15/562918515.db2.gz SYOPRZWROBOKGX-URXFXBBRSA-N 1 0 447.406 5.155 1 0 IKAFRO C[NH+](C)CCOc1ccc([C@@H]2Oc3cc(O)ccc3-c3sc4cc(O)ccc4c32)cc1 ZINC000000841291 562919412 /nfs/dbraw/zinc/91/94/12/562919412.db2.gz BTOJISAUJPXHPN-DEOSSOPVSA-N 1 0 433.529 5.402 1 0 IKAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc(-c3cc(Cl)ccc3Cl)o2)C1C(=O)OC ZINC000001449295 562921965 /nfs/dbraw/zinc/92/19/65/562921965.db2.gz FQPPKTFEKVXRGZ-WENBPLFZSA-N 1 0 436.291 5.675 1 0 aggregator IKAFRO Fc1ccc(C2CC[NH+](CCCCc3cn(-c4ccc(F)cc4)c4ccccc34)CC2)cc1 ZINC000001542665 562922757 /nfs/dbraw/zinc/92/27/57/562922757.db2.gz NGVLXUDHOKGWPG-UHFFFAOYSA-N 1 0 444.569 7.111 1 0 IKAFRO CCCC[N@H+](CC)CCNc1cc(C)nc(NC(=N)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000001713764 562924460 /nfs/dbraw/zinc/92/44/60/562924460.db2.gz DGBRCQRVLJXVPQ-UHFFFAOYSA-N 1 0 438.407 5.084 1 0 IKAFRO COc1ccc2c(c1)OC[C@H](c1ccccc1)[C@@H]2c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000001719404 562924519 /nfs/dbraw/zinc/92/45/19/562924519.db2.gz SKXCQODDFFKXHF-IXCJQBJRSA-N 1 0 429.560 5.478 1 0 IKAFRO C[NH+](C)CCOc1ccc(-c2c3ccccc3oc(=O)c2Oc2ccc(Cl)cc2)cc1 ZINC000001861383 562925088 /nfs/dbraw/zinc/92/50/88/562925088.db2.gz NFSBFQFDOKDHPK-UHFFFAOYSA-N 1 0 435.907 5.846 1 0 IKAFRO CCC[N@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@H]1CCc2ccccc2C1 ZINC000001893047 562925217 /nfs/dbraw/zinc/92/52/17/562925217.db2.gz UJNGTNSLEZLHFI-LJAQVGFWSA-N 1 0 440.631 6.133 1 0 IKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc2ccc(Br)cc2c2ccsc21 ZINC000002008240 562925522 /nfs/dbraw/zinc/92/55/22/562925522.db2.gz FLAJCCDKCMNUOX-NRFANRHFSA-N 1 0 434.443 6.753 1 0 IKAFRO COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1)[C@@H]2c1ccc(OCC[NH+](C)C)cc1 ZINC000002021431 562925592 /nfs/dbraw/zinc/92/55/92/562925592.db2.gz IORHSRGNDIZONT-SXOMAYOGSA-N 1 0 431.576 5.722 1 0 IKAFRO COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@@H]2c1ccc(OCC[NH+](C)C)cc1 ZINC000002021433 562925626 /nfs/dbraw/zinc/92/56/26/562925626.db2.gz IORHSRGNDIZONT-KAYWLYCHSA-N 1 0 431.576 5.722 1 0 IKAFRO O[C@H](C[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000002651791 562929342 /nfs/dbraw/zinc/92/93/42/562929342.db2.gz DHVLQBMFWWTSRF-GBXCKJPGSA-N 1 0 425.359 5.930 3 0 IKAFRO Cc1cc(C)cc(CO[C@@H]2C3CC[NH+](CC3)[C@H]2[C@H](Cc2ccccc2)c2ccccc2)c1 ZINC000003786130 562937918 /nfs/dbraw/zinc/93/79/18/562937918.db2.gz IGJOBCGNZPJBJN-DYIKCSJPSA-N 1 0 425.616 6.309 1 0 IKAFRO COc1ccccc1[C@@H](O)/C=C1\C2CC[NH+](CC2)[C@H]1C(c1ccccc1)c1ccccc1 ZINC000003791022 562938025 /nfs/dbraw/zinc/93/80/25/562938025.db2.gz ACNNRRQKRUXREB-MMFSSXGCSA-N 1 0 425.572 5.581 1 0 IKAFRO Nc1nc(-c2ccc(F)cc2)c([C@@H]2CC[N@H+](CCCC(=O)c3ccc(F)cc3)C2)s1 ZINC000003826698 562938985 /nfs/dbraw/zinc/93/89/85/562938985.db2.gz PMIAIKWRXUGRQG-QGZVFWFLSA-N 1 0 427.520 5.123 1 0 in-vitro IKAFRO COc1ccc2c(c1)O[C@H](c1ccc(OCC[NH+]3CCCCC3)cc1)C(c1ccccc1)=C2 ZINC000003920378 562939299 /nfs/dbraw/zinc/93/92/99/562939299.db2.gz VMZKWNQITYDWEE-GDLZYMKVSA-N 1 0 441.571 6.234 1 0 IKAFRO CCCCC1(CCCC)[NH2+][C@@H](c2nc(-c3ccccc3)c[nH]2)Cc2c3ccccc3[nH]c21 ZINC000003940596 562939599 /nfs/dbraw/zinc/93/95/99/562939599.db2.gz FOBFICSYUINKAA-XMMPIXPASA-N 1 0 426.608 7.021 1 0 in-vitro IKAFRO O=C(c1cccc(F)c1)N1CCC2(CCC[N@@H+](C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000003956039 562939982 /nfs/dbraw/zinc/93/99/82/562939982.db2.gz ZITCPXFWRWVVKK-UHFFFAOYSA-N 1 0 442.578 5.934 1 0 IKAFRO O=C(Nc1ccc(F)cc1)N[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC000003976344 562940283 /nfs/dbraw/zinc/94/02/83/562940283.db2.gz NKRJCSZTCFOFKV-STWLZBDKSA-N 1 0 441.566 5.600 1 0 IKAFRO C[N@@H+]1CC[C@@](O)(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000003982732 562940306 /nfs/dbraw/zinc/94/03/06/562940306.db2.gz NQHSMRHMUBKGPZ-ORAYPTAESA-N 1 0 433.162 5.322 1 0 IKAFRO COc1ccc(CC[N@@H+]2CCC[C@H]2CO[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000003979496 562940352 /nfs/dbraw/zinc/94/03/52/562940352.db2.gz NYJCOVAWVHXMSJ-AHKZPQOWSA-N 1 0 435.995 6.162 1 0 in-vivo IKAFRO C[NH+](C)CCOc1ccc(-c2cc(-c3ccc(Cl)c(O)c3)c(-c3ccncc3)o2)cc1 ZINC000003988866 562940502 /nfs/dbraw/zinc/94/05/02/562940502.db2.gz CJHFEOLMYPLKDV-UHFFFAOYSA-N 1 0 434.923 5.975 1 0 IKAFRO C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC[NH+]5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000005845023 562945075 /nfs/dbraw/zinc/94/50/75/562945075.db2.gz RGCPGGMPBRETQV-VRGOQYRISA-N 1 0 428.661 5.559 1 0 IKAFRO C[C@H](CCCC(C)(C)[NH3+])[C@@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000006036305 562945953 /nfs/dbraw/zinc/94/59/53/562945953.db2.gz IHJMWZWIJOZWNP-ONSLAWTRSA-N 1 0 443.760 7.640 1 0 IKAFRO CC[NH+](CC)CCCCn1c(-c2ccccc2)nc2c1nc(C)nc2Nc1ccccc1 ZINC000007991837 562948698 /nfs/dbraw/zinc/94/86/98/562948698.db2.gz GRLQZMRDJMXOBU-UHFFFAOYSA-N 1 0 428.584 5.667 1 0 IKAFRO Cc1nc2c(nc(-c3ccccc3)n2CCC[N@H+]2CCCC[C@@H]2C)c(Nc2ccccc2)n1 ZINC000008017413 562948859 /nfs/dbraw/zinc/94/88/59/562948859.db2.gz XTCNVIYDIRTUMB-FQEVSTJZSA-N 1 0 440.595 5.810 1 0 IKAFRO COc1ccccc1Nc1cc(C(=O)NCCC[N@H+](C)C2CCCCC2)c2ccccc2n1 ZINC000008595465 562953448 /nfs/dbraw/zinc/95/34/48/562953448.db2.gz FLQCDXPXBHCUJM-UHFFFAOYSA-N 1 0 446.595 5.371 1 0 IKAFRO Cc1oc(-c2ccccc2C)nc1C[N@@H+]1CCC[C@@H](C(=O)NCc2ccc(Cl)cc2)C1 ZINC000008597792 562954082 /nfs/dbraw/zinc/95/40/82/562954082.db2.gz KRTUKSGRAZZDPW-HXUWFJFHSA-N 1 0 437.971 5.140 1 0 IKAFRO O=C(Nc1ccccc1-c1ccccc1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2CCc1ccccc1 ZINC000008687035 562962909 /nfs/dbraw/zinc/96/29/09/562962909.db2.gz DYJISWGRVATMET-NXMIGULDSA-N 1 0 439.603 6.103 3 0 IKAFRO COc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)c1 ZINC000012302820 562981077 /nfs/dbraw/zinc/98/10/77/562981077.db2.gz BKVBVLDNCGWYCI-UHFFFAOYSA-N 1 0 440.547 5.089 1 0 IKAFRO COc1ccccc1CN(C(=O)c1cc2sccc2n1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000013083087 562984345 /nfs/dbraw/zinc/98/43/45/562984345.db2.gz ZPUMSHWOCRMIAY-UHFFFAOYSA-N 1 0 439.625 5.200 1 0 IKAFRO Oc1ccc2c(c1)OC[C@H](c1ccccc1)[C@@H]2c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000013436034 562985934 /nfs/dbraw/zinc/98/59/34/562985934.db2.gz LMHXWDHVXMWULI-IXCJQBJRSA-N 1 0 429.560 5.565 1 0 IKAFRO Cc1ccc(-c2cc(N(CCC[NH+]3CCCCCC3)Cc3ccc4c(c3)OCO4)on2)cc1 ZINC000013437483 562986061 /nfs/dbraw/zinc/98/60/61/562986061.db2.gz CDYMXRUWHVBUKR-UHFFFAOYSA-N 1 0 447.579 5.651 1 0 IKAFRO O=C(NCCC[NH+]1CCC(Cc2ccc(F)cc2)CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000013443493 562986627 /nfs/dbraw/zinc/98/66/27/562986627.db2.gz DFBQHFGWJQZXSF-UHFFFAOYSA-N 1 0 437.481 5.311 1 0 IKAFRO CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H](C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000013446393 562986924 /nfs/dbraw/zinc/98/69/24/562986924.db2.gz SIZKUYOITMKTBV-FQEVSTJZSA-N 1 0 425.787 5.485 1 0 IKAFRO CCN(Cc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2c3c(cccc31)C(=[NH2+])N2 ZINC000013450113 562987259 /nfs/dbraw/zinc/98/72/59/562987259.db2.gz OTZQVEXEVVSVQN-UHFFFAOYSA-N 1 0 441.556 5.050 1 0 IKAFRO O=c1cc(C2CCCCC2)oc2ccc(OCCCCCC[NH+]3CCC(O)CC3)cc12 ZINC000013454447 562987625 /nfs/dbraw/zinc/98/76/25/562987625.db2.gz VCYLVMUSUVMOGL-UHFFFAOYSA-N 1 0 427.585 5.237 1 0 IKAFRO COc1cc2c(cc1OCC1CC[NH+](C)CC1)ncnc2Nc1c(F)cc(Cl)cc1F ZINC000013472791 562988136 /nfs/dbraw/zinc/98/81/36/562988136.db2.gz KQEHWOWUWGAOSR-UHFFFAOYSA-N 1 0 448.901 5.034 1 0 IKAFRO COc1cccc(OC)c1OCC[NH2+]C[C@@H]1C[C@H](c2ccccc2)c2ccccc2S1 ZINC000013473090 562988138 /nfs/dbraw/zinc/98/81/38/562988138.db2.gz JGLLHUJRQIQLNY-RBBKRZOGSA-N 1 0 435.589 5.369 1 0 IKAFRO CC(=O)C1(c2ccccc2)CC[NH+](CCCC[C@@]23CCCc4cccc(c42)NC3=O)CC1 ZINC000013473709 562988437 /nfs/dbraw/zinc/98/84/37/562988437.db2.gz XHJNHSYVMPSXGH-MUUNZHRXSA-N 1 0 430.592 5.006 1 0 IKAFRO Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCC1CC[NH2+]CC1 ZINC000013474170 562988671 /nfs/dbraw/zinc/98/86/71/562988671.db2.gz WCKVIMQTYABNGQ-UHFFFAOYSA-N 1 0 438.575 5.678 1 0 IKAFRO O=C(Nc1ccccc1)Nc1ccccc1[C@@H](O)C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000013475800 562988949 /nfs/dbraw/zinc/98/89/49/562988949.db2.gz VXKVMPBIMSJSTA-SANMLTNESA-N 1 0 447.554 5.458 1 0 IKAFRO COc1ccc(NC(=O)Nc2ccccc2C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000013475746 562988957 /nfs/dbraw/zinc/98/89/57/562988957.db2.gz IWXGUKFSFRGFJT-UHFFFAOYSA-N 1 0 429.564 5.794 1 0 IKAFRO COc1cccc(NC(=O)Nc2ccccc2C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000013475744 562988959 /nfs/dbraw/zinc/98/89/59/562988959.db2.gz QTOZBBZMQKESRV-UHFFFAOYSA-N 1 0 429.564 5.794 1 0 IKAFRO COc1ccc(NC(=O)Nc2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000013475769 562988976 /nfs/dbraw/zinc/98/89/76/562988976.db2.gz HZOYCPMBDISVDI-UHFFFAOYSA-N 1 0 429.564 5.794 1 0 IKAFRO COc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000013475888 562988984 /nfs/dbraw/zinc/98/89/84/562988984.db2.gz ONGGWTQHNBNSPL-UHFFFAOYSA-N 1 0 443.591 5.472 1 0 IKAFRO Fc1ccc(C(OCCC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccc(F)cc2)cc1 ZINC000013487741 562989432 /nfs/dbraw/zinc/98/94/32/562989432.db2.gz NCRADADLJALGIN-VHRQIYPPSA-N 1 0 447.569 6.904 1 0 IKAFRO CCOc1c(C)cc(C(F)(F)F)cc1C[NH2+]CCCNc1cc(=O)c2ccccc2[nH]1 ZINC000013487789 562989582 /nfs/dbraw/zinc/98/95/82/562989582.db2.gz DLALUXGXMNHNSW-UHFFFAOYSA-N 1 0 433.474 5.258 1 0 IKAFRO COc1ccc([C@@H](C[NH+]2CCCC2)n2cccc(-c3ccc(C(F)(F)F)cc3)c2=O)cc1 ZINC000013488445 562989668 /nfs/dbraw/zinc/98/96/68/562989668.db2.gz KKELZZUYLVXWKR-HSZRJFAPSA-N 1 0 442.481 5.228 1 0 IKAFRO O=C1NCCN1CC[NH+]1CCC(c2cn(C3CCCCC3)c3ccc(Cl)cc23)CC1 ZINC000013489957 562990056 /nfs/dbraw/zinc/99/00/56/562990056.db2.gz GSNUVPVGNUTESH-UHFFFAOYSA-N 1 0 429.008 5.005 1 0 IKAFRO Cc1cc2c(cccc2OC[C@@H](O)C[NH+]2CCC(c3cc4c(cccc4F)s3)CC2)[nH]1 ZINC000013490099 562990199 /nfs/dbraw/zinc/99/01/99/562990199.db2.gz BQKJZLWSHJKTJH-SFHVURJKSA-N 1 0 438.568 5.449 1 0 IKAFRO Cc1cc2c(cccc2OC[C@@H](O)C[NH+]2CCC(c3cc4c(cccc4C)s3)CC2)[nH]1 ZINC000013490096 562990222 /nfs/dbraw/zinc/99/02/22/562990222.db2.gz DLNKVXSFIONPEX-FQEVSTJZSA-N 1 0 434.605 5.619 1 0 IKAFRO Cc1ccc2cccc(N3CC[NH+](CC[C@@H](O)c4csc5ccc(F)cc54)CC3)c2n1 ZINC000013491146 562990393 /nfs/dbraw/zinc/99/03/93/562990393.db2.gz KJQSNZBBWNHIND-HSZRJFAPSA-N 1 0 435.568 5.143 1 0 IKAFRO Fc1ccc(C(OCCC2CC[NH+](C/C=C/c3ccco3)CC2)c2ccc(F)cc2)cc1 ZINC000013491394 562990423 /nfs/dbraw/zinc/99/04/23/562990423.db2.gz LBRPERYKIZCGBR-HNQUOIGGSA-N 1 0 437.530 6.479 1 0 IKAFRO CCc1ccc2c(c1)[C@H](c1ccc(OCC[NH+]3CCCCC3)cc1)Cc1cc(O)cc(C)c1-2 ZINC000013494074 562990948 /nfs/dbraw/zinc/99/09/48/562990948.db2.gz AVXFTHNOWJYYDE-NDEPHWFRSA-N 1 0 441.615 6.483 1 0 IKAFRO C[N@H+](CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1)C1CC1 ZINC000013519650 562991226 /nfs/dbraw/zinc/99/12/26/562991226.db2.gz WVHKFNAMXDIZSR-UHFFFAOYSA-N 1 0 448.376 5.853 1 0 IKAFRO Cc1ccc(N2CCc3cc(O)ccc3[C@@]2(C)c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000013523290 562991411 /nfs/dbraw/zinc/99/14/11/562991411.db2.gz GBFZZWRAKSCSNO-GDLZYMKVSA-N 1 0 442.603 5.501 1 0 IKAFRO Cc1ccc(N2CCc3cc(O)ccc3[C@]2(C)c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000013523294 562991458 /nfs/dbraw/zinc/99/14/58/562991458.db2.gz GBFZZWRAKSCSNO-LJAQVGFWSA-N 1 0 442.603 5.501 1 0 IKAFRO c1[nH]c(CCC(c2ccccc2)c2ccccc2)nc1CC[NH2+]CCCCc1ccncc1 ZINC000013530346 562992011 /nfs/dbraw/zinc/99/20/11/562992011.db2.gz PCOLEVGKHNHQSG-UHFFFAOYSA-N 1 0 438.619 5.724 1 0 IKAFRO C[NH+](C)CCCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1SCc1ccccc1 ZINC000013537624 562992576 /nfs/dbraw/zinc/99/25/76/562992576.db2.gz ZUZMNLOLVUZTAD-LOSJGSFVSA-N 1 0 444.644 6.067 1 0 IKAFRO Cc1ccc(C(=O)N[C@@H](C[NH+]2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)C(C)C)cc1 ZINC000013553766 562992953 /nfs/dbraw/zinc/99/29/53/562992953.db2.gz GNVXCJBQOWUGAI-DEOSSOPVSA-N 1 0 447.450 6.011 1 0 IKAFRO Cc1ccc(C(=O)N[C@H](C[NH+]2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)C(C)C)cc1 ZINC000013553765 562992991 /nfs/dbraw/zinc/99/29/91/562992991.db2.gz GNVXCJBQOWUGAI-XMMPIXPASA-N 1 0 447.450 6.011 1 0 IKAFRO CCCN(CCOC)c1cc(C)[nH+]c2c1NC(=O)CN2c1ccc(C(C)C)cc1Cl ZINC000013584796 562995052 /nfs/dbraw/zinc/99/50/52/562995052.db2.gz WNTSNTVUEIQHMY-UHFFFAOYSA-N 1 0 430.980 5.120 1 0 IKAFRO Cc1cc2c(cccc2OC[C@@H](O)C[N@H+]2CC[C@@H](c3cc4c(cccc4C)s3)C[C@@H]2C)[nH]1 ZINC000013587191 562995603 /nfs/dbraw/zinc/99/56/03/562995603.db2.gz ZRZHPXBPYCNVBE-HBMCJLEFSA-N 1 0 448.632 6.007 1 0 IKAFRO CC[NH+](CC)CCOc1ccc(C2=C[C@@]3(CCc4cc(O)ccc43)c3ccc(O)cc32)cc1 ZINC000013587742 562995776 /nfs/dbraw/zinc/99/57/76/562995776.db2.gz NPUYUXRZSQJLOH-GDLZYMKVSA-N 1 0 441.571 5.496 1 0 IKAFRO O=C1c2ccc(Oc3ccccc3)cc2CC[C@@H]1CC[NH+]1CCC(c2ccccc2)CC1 ZINC000013588380 562995961 /nfs/dbraw/zinc/99/59/61/562995961.db2.gz TZGYJUURLLBJGQ-XMMPIXPASA-N 1 0 425.572 6.494 1 0 IKAFRO O=C1c2ccc(OCc3ccncc3)cc2CC[C@H]1CC[NH+]1CCC(c2ccccc2)CC1 ZINC000013588389 562995985 /nfs/dbraw/zinc/99/59/85/562995985.db2.gz JCEOCMYRBQPMLY-VWLOTQADSA-N 1 0 440.587 5.675 1 0 IKAFRO O=C1c2ccc(OCc3ccncc3)cc2CC[C@@H]1CC[NH+]1CCC(c2ccccc2)CC1 ZINC000013588388 562995990 /nfs/dbraw/zinc/99/59/90/562995990.db2.gz JCEOCMYRBQPMLY-RUZDIDTESA-N 1 0 440.587 5.675 1 0 IKAFRO O=C(NCCCCc1ccccc1)c1ccccc1C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000013589134 562996141 /nfs/dbraw/zinc/99/61/41/562996141.db2.gz WAXRDAZDTSDCJJ-MHZLTWQESA-N 1 0 428.576 5.312 1 0 IKAFRO O=C(NCCCCc1ccc(Cl)cc1)c1ccccc1C[NH2+]CCc1ccc(O)cc1 ZINC000013589115 562996147 /nfs/dbraw/zinc/99/61/47/562996147.db2.gz RMDZIIOFDNVKFH-UHFFFAOYSA-N 1 0 436.983 5.131 1 0 IKAFRO C[C@@H]1CCC[C@H](C)[N@H+]1CCc1cc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc2o1 ZINC000013589409 562996409 /nfs/dbraw/zinc/99/64/09/562996409.db2.gz QOZSXRMOBARPHS-OYRHEFFESA-N 1 0 446.591 5.378 1 0 IKAFRO C[N@H+](Cc1ccc(COC(=O)[C@H](c2ccccc2)C2CCCCC2)o1)Cc1ccccc1 ZINC000013602002 562996875 /nfs/dbraw/zinc/99/68/75/562996875.db2.gz KCHRHVPNTVRPRT-HHHXNRCGSA-N 1 0 431.576 6.319 1 0 IKAFRO CCC[NH+](CCC)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12 ZINC000013611745 562997844 /nfs/dbraw/zinc/99/78/44/562997844.db2.gz XHDVQKJVBJXDDG-UHFFFAOYSA-N 1 0 449.620 5.786 1 0 IKAFRO CC[NH+](CC)CCCc1c[nH]c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12 ZINC000013611740 562997857 /nfs/dbraw/zinc/99/78/57/562997857.db2.gz YPQQPLDCWAKIGB-UHFFFAOYSA-N 1 0 435.593 5.396 1 0 IKAFRO CC[NH+](CC)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc12 ZINC000013611735 562997883 /nfs/dbraw/zinc/99/78/83/562997883.db2.gz UIRIEFKMLBIEPD-UHFFFAOYSA-N 1 0 447.604 5.520 1 0 IKAFRO O=C(Nc1ccccc1F)N[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC000013613265 562998090 /nfs/dbraw/zinc/99/80/90/562998090.db2.gz MXFQLVWOVUVANY-AWRGLXIESA-N 1 0 441.566 5.600 1 0 IKAFRO CCc1[nH]c2cc(=O)ccc-2c(Oc2ccc(OCC[NH+](C)C)cc2)c1-c1ccccc1 ZINC000013641247 562998371 /nfs/dbraw/zinc/99/83/71/562998371.db2.gz BLSILHCLJLDFDG-UHFFFAOYSA-N 1 0 428.532 5.903 1 0 IKAFRO O=S(=O)(c1cccc2ccccc21)n1ccc2ccc(C3=CC[N@@H+]4CCC[C@H]4C3)cc21 ZINC000013645870 562998724 /nfs/dbraw/zinc/99/87/24/562998724.db2.gz KXPXHDBGGBQXDQ-QHCPKHFHSA-N 1 0 428.557 5.283 1 0 IKAFRO CC(C)C[C@@H](CSc1ccc(Br)cc1)N1CC[N@H+](CC(C)C)CCC1=O ZINC000013661676 562999808 /nfs/dbraw/zinc/99/98/08/562999808.db2.gz FKMYFACHUJITIR-IBGZPJMESA-N 1 0 441.479 5.146 3 0 IKAFRO Cc1ccccc1[C@@H](CCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000013674316 563000277 /nfs/dbraw/zinc/00/02/77/563000277.db2.gz YSSUEOYNEQTLNV-MHZLTWQESA-N 1 0 434.023 6.544 1 0 IKAFRO Cc1ccc([C@@H](CCC[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2)cc1 ZINC000013674323 563000391 /nfs/dbraw/zinc/00/03/91/563000391.db2.gz XQNMWCOBHLDKFW-MHZLTWQESA-N 1 0 434.023 6.544 1 0 IKAFRO CC(C)c1ccc2c(C3CC[NH+](CCN4CCNC4=O)CC3)cn(-c3ccc(F)cc3)c2c1 ZINC000013731177 563001841 /nfs/dbraw/zinc/00/18/41/563001841.db2.gz ZQUAUCQTMBQTQA-UHFFFAOYSA-N 1 0 448.586 5.098 1 0 IKAFRO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000013733947 563002167 /nfs/dbraw/zinc/00/21/67/563002167.db2.gz LSXRBLCFKKVJAF-QZTJIDSGSA-N 1 0 433.423 5.895 1 0 IKAFRO Cc1ccc(C[NH2+][C@H](CNC(=O)Nc2c(C(C)C)cccc2C(C)C)c2ccccc2)cc1 ZINC000013737268 563002493 /nfs/dbraw/zinc/00/24/93/563002493.db2.gz UYFJLIAMUDWHLY-HHHXNRCGSA-N 1 0 443.635 6.894 1 0 IKAFRO CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H](C[NH2+]Cc1ccccc1)c1ccccc1 ZINC000013737265 563002516 /nfs/dbraw/zinc/00/25/16/563002516.db2.gz FEQVVFFTAHNCJG-VWLOTQADSA-N 1 0 443.635 6.629 1 0 IKAFRO COc1ccc(C[NH2+][C@H](CNC(=O)Nc2c(C(C)C)cccc2C(C)C)C(C)C)cc1 ZINC000013737304 563002522 /nfs/dbraw/zinc/00/25/22/563002522.db2.gz XAYNMCWPDATELQ-XMMPIXPASA-N 1 0 425.617 5.878 1 0 IKAFRO CCCC[C@@H]1CCc2cccc3c(CC[NH+]4CCN(c5cc(C)ccn5)CC4)c(C)n1c32 ZINC000013740440 563003016 /nfs/dbraw/zinc/00/30/16/563003016.db2.gz FGEJWVXINYCXIR-XMMPIXPASA-N 1 0 430.640 5.695 1 0 IKAFRO COc1cccc2c1CCC[C@@H]2CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013740697 563003130 /nfs/dbraw/zinc/00/31/30/563003130.db2.gz SGNFTTRKPWKHRW-LJQANCHMSA-N 1 0 432.530 5.736 1 0 IKAFRO CCOc1cc(C(C)=O)ccc1OCCC[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000013740855 563003200 /nfs/dbraw/zinc/00/32/00/563003200.db2.gz ASPBVUBBCSOPSY-UHFFFAOYSA-N 1 0 440.515 5.217 1 0 IKAFRO CSc1cc(C(C)=O)ccc1OCCC[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000013740851 563003255 /nfs/dbraw/zinc/00/32/55/563003255.db2.gz BCKYZQRLPGBIMO-UHFFFAOYSA-N 1 0 442.556 5.540 1 0 IKAFRO O=c1ccc2c(n1Cc1ccccc1)CCC[C@H]2[NH2+]CCc1ccc(Cl)c(Cl)c1 ZINC000013743295 563003581 /nfs/dbraw/zinc/00/35/81/563003581.db2.gz FFVGALPUFLHGTE-JOCHJYFZSA-N 1 0 427.375 5.413 1 0 IKAFRO COc1cc(CO[C@@H]2C3CC[NH+](CC3)[C@@H]2C(c2ccccc2)c2ccccc2)cc(OC)c1 ZINC000013744520 563003825 /nfs/dbraw/zinc/00/38/25/563003825.db2.gz DCAGUAUHSOJEOX-FQLXRVMXSA-N 1 0 443.587 5.515 1 0 IKAFRO Fc1ccc(C(OCCC2CC[NH+](CCc3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000013746580 563004060 /nfs/dbraw/zinc/00/40/60/563004060.db2.gz TWJWHTGPMGTMPW-UHFFFAOYSA-N 1 0 435.558 6.416 1 0 IKAFRO Cc1ccccc1C(=O)N(C)c1ccc(C(=O)N2CCC[C@H]([NH+](C)C)c3ccccc32)cc1 ZINC000013758030 563004652 /nfs/dbraw/zinc/00/46/52/563004652.db2.gz OOPNPCJITFJIQZ-VWLOTQADSA-N 1 0 441.575 5.315 1 0 IKAFRO Fc1ccc(C[NH+]2CCC(CCO[C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000013760755 563004923 /nfs/dbraw/zinc/00/49/23/563004923.db2.gz LDIQWODSVBHRII-HHHXNRCGSA-N 1 0 437.986 6.887 1 0 IKAFRO CCc1cccc(N(C)C(=[NH2+])N(C)c2cc(Br)ccc2Br)c1 ZINC000013776084 563005807 /nfs/dbraw/zinc/00/58/07/563005807.db2.gz GKDCPKFKQLHIAB-UHFFFAOYSA-N 1 0 425.168 5.281 1 0 IKAFRO Fc1ccc(C(OC2C[C@H]3CC[C@@H](C2)[N@H+]3C/C=C/c2ccccc2)c2ccc(F)cc2)cc1 ZINC000013776242 563005848 /nfs/dbraw/zinc/00/58/48/563005848.db2.gz KSAYJCXTSFMAPM-GCNTVVOGSA-N 1 0 445.553 6.780 1 0 IKAFRO Fc1ccc(/C=C/C[NH+]2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000013778620 563006053 /nfs/dbraw/zinc/00/60/53/563006053.db2.gz XAYIMTUFTYRXRB-BQYQJAHWSA-N 1 0 429.579 6.747 1 0 IKAFRO Nc1[nH+]c2cc(Cl)c(Cl)cc2n1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013779307 563006101 /nfs/dbraw/zinc/00/61/01/563006101.db2.gz IPWRKZPJEHZSNT-UHFFFAOYSA-N 1 0 428.163 6.011 1 0 IKAFRO CC(C)n1nc(C(=O)NC2CC[NH+](CCCCCc3ccccc3)CC2)c2ccccc21 ZINC000013779610 563006136 /nfs/dbraw/zinc/00/61/36/563006136.db2.gz KSFQGYZCFVIBHJ-UHFFFAOYSA-N 1 0 432.612 5.224 1 0 IKAFRO COc1ccc(CC[NH2+]CCC[C@H]2CN(Cc3ccccc3)c3ccccc3O2)cc1OC ZINC000013780759 563006479 /nfs/dbraw/zinc/00/64/79/563006479.db2.gz ZOJMNLDMVXJRKS-DEOSSOPVSA-N 1 0 446.591 5.084 1 0 IKAFRO Fc1ccc(N2CC[NH+](CCC[C@@H]3CN(Cc4ccccc4)c4ccccc4O3)CC2)cc1 ZINC000013780760 563006496 /nfs/dbraw/zinc/00/64/96/563006496.db2.gz UHIKBLAHVMJFRO-AREMUKBSSA-N 1 0 445.582 5.196 1 0 IKAFRO O=C(c1ccccc1)N1CC[C@H]([NH2+]Cc2ccnc3ccccc23)C[C@H]1Cc1ccccc1 ZINC000013781120 563006559 /nfs/dbraw/zinc/00/65/59/563006559.db2.gz YFLRTMKXRQUBGR-IZZNHLLZSA-N 1 0 435.571 5.241 1 0 IKAFRO CCN(CC)C(=O)c1ccc(C(c2ccccc2)=C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000013814378 563009167 /nfs/dbraw/zinc/00/91/67/563009167.db2.gz QWYZPSAIFWTNDR-UHFFFAOYSA-N 1 0 430.636 6.399 1 0 IKAFRO O=C(c1ccccc1)N(c1ccc(Cl)c(Cl)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000013817796 563009619 /nfs/dbraw/zinc/00/96/19/563009619.db2.gz PHXFLZQXEBYAEU-UHFFFAOYSA-N 1 0 439.386 6.305 1 0 IKAFRO c1ccc(N2CCN(CCC[NH2+][C@H]3c4ccccc4SC[C@@H]4CCCC[C@H]43)CC2)cc1 ZINC000013820039 563009934 /nfs/dbraw/zinc/00/99/34/563009934.db2.gz YQCIWHXFIBJHED-CAKYRVLISA-N 1 0 435.681 5.442 1 0 IKAFRO O=S1(=O)c2ccccc2-c2ccccc2N1CCC[N@H+]1CC=C(c2ccccc2)CC1 ZINC000013823459 563010282 /nfs/dbraw/zinc/01/02/82/563010282.db2.gz CUSNRDWDRXFUFH-UHFFFAOYSA-N 1 0 430.573 5.042 1 0 IKAFRO Fc1ccc(C(c2ccc(F)cc2)C2CC[NH+](CCCSc3ccccc3)CC2)cc1 ZINC000013824990 563010424 /nfs/dbraw/zinc/01/04/24/563010424.db2.gz VEPLOEKUVLWDMU-UHFFFAOYSA-N 1 0 437.599 6.991 1 0 IKAFRO O=S1(=O)c2cccc3cccc(c23)N1CCC[N@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000013826815 563010585 /nfs/dbraw/zinc/01/05/85/563010585.db2.gz ZAOJBQQNRCJZHT-UHFFFAOYSA-N 1 0 443.572 5.009 1 0 IKAFRO O=S1(=O)c2cccc3cccc(c23)N1CCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000013826835 563010596 /nfs/dbraw/zinc/01/05/96/563010596.db2.gz ZTDOROPEEBAJPY-UHFFFAOYSA-N 1 0 445.588 5.100 1 0 IKAFRO Cc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(-c2ccncc2)c(C)[nH+]1 ZINC000013826893 563010613 /nfs/dbraw/zinc/01/06/13/563010613.db2.gz NEOQAUFUNSIZIU-UHFFFAOYSA-N 1 0 434.503 5.187 1 0 IKAFRO C[C@@H]1CCC[C@H](C)[N@H+]1CCCCCN1c2ccccc2O[C@H](c2ccc(Cl)cc2)C1=O ZINC000013834486 563011969 /nfs/dbraw/zinc/01/19/69/563011969.db2.gz LKWOZWCLKKPBJR-OHUGHZGNSA-N 1 0 441.015 6.240 1 0 IKAFRO Cc1cc2c(cc1Cc1ccc(C(=O)NCc3ccc(C[NH3+])cc3)o1)C(C)(C)CCC2(C)C ZINC000013860613 563012578 /nfs/dbraw/zinc/01/25/78/563012578.db2.gz BSFDQAWTALJLQU-UHFFFAOYSA-N 1 0 444.619 5.917 1 0 IKAFRO Clc1cccc([C@H](OC2C[C@H]3CC[C@@H](C2)[N@H+]3CCCc2ccccc2)c2ccccc2)c1 ZINC000013861969 563012855 /nfs/dbraw/zinc/01/28/55/563012855.db2.gz OYZKUGKMWYXUJF-WAAVWZAJSA-N 1 0 446.034 7.074 1 0 IKAFRO CCCCC1(CCCC)[NH2+][C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c3ccccc3[nH]c21 ZINC000013863921 563013458 /nfs/dbraw/zinc/01/34/58/563013458.db2.gz FOBFICSYUINKAA-DEOSSOPVSA-N 1 0 426.608 7.021 1 0 IKAFRO CCCCC1(CCCC)[NH2+][C@@H](c2nc(-c3ccccc3)c[nH]2)Cc2c3ccccc3sc21 ZINC000013863934 563013499 /nfs/dbraw/zinc/01/34/99/563013499.db2.gz QAXGGGRUIVLNIN-HSZRJFAPSA-N 1 0 443.660 7.754 1 0 IKAFRO OC(O)(CCCCCNc1c2c([nH+]c3cccc(Cl)c31)CCCCC2)C(F)(F)F ZINC000013864108 563013553 /nfs/dbraw/zinc/01/35/53/563013553.db2.gz YTLVVJVRXFGCBL-UHFFFAOYSA-N 1 0 430.898 5.373 1 0 IKAFRO CN(C(=O)[C@@H]1C(c2ccccc2)=C1c1ccc(Cl)cc1)[C@H]1CCCC[C@@H]1[NH+]1CCCC1 ZINC000013911798 563013969 /nfs/dbraw/zinc/01/39/69/563013969.db2.gz QCGGFEVPGFMZTQ-JCYRPKCISA-N 1 0 435.011 5.746 1 0 IKAFRO CCCN1C[C@H](C[N@H+]2CC=C(c3c[nH]c4ccc(F)cc43)CC2)Oc2c(OC)cccc21 ZINC000013916885 563014035 /nfs/dbraw/zinc/01/40/35/563014035.db2.gz KBGIAHKLLKPEIS-FQEVSTJZSA-N 1 0 435.543 5.082 1 0 IKAFRO COc1ccc(CC[N@@H+]2CCC[C@H]2CO[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000013917046 563014059 /nfs/dbraw/zinc/01/40/59/563014059.db2.gz NYJCOVAWVHXMSJ-BDYUSTAISA-N 1 0 435.995 6.162 1 0 in-vivo IKAFRO CC(C)Cn1c(N)[nH+]c2ccc(-c3[nH]c(-c4c(F)cccc4F)nc3-c3ccccc3)cc21 ZINC000013983392 563014260 /nfs/dbraw/zinc/01/42/60/563014260.db2.gz BRWPFEGMAWRISZ-UHFFFAOYSA-N 1 0 443.501 6.277 1 0 IKAFRO COc1cnc([C@@H]2CCCc3c4[nH]c5ccccc5c4c(OC)c[n+]32)c2[nH]c3ccccc3c21 ZINC000014655558 563014686 /nfs/dbraw/zinc/01/46/86/563014686.db2.gz PLMZBLUKRYWASH-NRFANRHFSA-O 1 0 449.534 5.581 1 0 biogenic,in-vitro IKAFRO C[C@H]([NH3+])C(=O)Nc1nc(-c2cccc(Cc3ccccc3)c2)c(Cc2ccccc2)s1 ZINC000014951976 563015661 /nfs/dbraw/zinc/01/56/61/563015661.db2.gz KXYXQGCPKXXFTP-SFHVURJKSA-N 1 0 427.573 5.277 1 0 IKAFRO Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(C(F)(F)F)c(F)c4)c3)cc12 ZINC000014961745 563016208 /nfs/dbraw/zinc/01/62/08/563016208.db2.gz LVEJWDYIDONWTK-KRWDZBQOSA-N 1 0 444.432 5.040 1 0 IKAFRO [NH3+][C@H](COc1cc(-c2ccc3cnccc3c2)cnc1Cl)Cc1c[nH]c2ccccc12 ZINC000014962538 563016279 /nfs/dbraw/zinc/01/62/79/563016279.db2.gz BPJNKHOQHGDQRN-NRFANRHFSA-N 1 0 428.923 5.380 1 0 IKAFRO CC(C)C1CCC([NH+]2CCC3(CC2)C(=O)N(Cc2ccccc2)Cc2cccc(F)c23)CC1 ZINC000014977298 563017074 /nfs/dbraw/zinc/01/70/74/563017074.db2.gz VPZYSEKOPYTWBE-UHFFFAOYSA-N 1 0 448.626 5.917 1 0 IKAFRO COc1ccc(-c2cnc([C@@H]3[C@H]4CC[C@@H](C[C@@H]3c3ccc(C)cc3)[N@@H+]4C)s2)cc1OC ZINC000014978630 563017244 /nfs/dbraw/zinc/01/72/44/563017244.db2.gz AUJWWBGAFLMMKB-SMTRIPRVSA-N 1 0 434.605 5.870 1 0 IKAFRO CCc1ccc(Nc2n[n+](-c3ccccc3)c(-c3ccc(N(CC)CC)cc3)s2)cc1 ZINC000015936898 563019064 /nfs/dbraw/zinc/01/90/64/563019064.db2.gz KFWJTKGBSDUECU-UHFFFAOYSA-N 1 0 429.613 6.239 3 0 IKAFRO Fc1ccc([C@H](OCCN2CC[NH+](CCCc3ccccc3)CC2)c2ccccc2)cc1 ZINC000019361015 563022611 /nfs/dbraw/zinc/02/26/11/563022611.db2.gz NRFRVJIPDSIXRE-MUUNZHRXSA-N 1 0 432.583 5.182 1 0 IKAFRO Cc1ccc([C@H](OCC[NH+]2CCN(C/C=C/c3ccccc3)CC2)c2ccccc2)cc1 ZINC000022925531 563025841 /nfs/dbraw/zinc/02/58/41/563025841.db2.gz YXBBKRPEQRPZSX-RZFDLJBBSA-N 1 0 426.604 5.432 1 0 IKAFRO Fc1ccc(/C=C/CN2CC[NH+](CCO[C@@H](c3ccccc3)c3ccc(F)cc3)CC2)cc1 ZINC000022925628 563025900 /nfs/dbraw/zinc/02/59/00/563025900.db2.gz WFJRJRXEODOZJG-WHIPERCESA-N 1 0 448.557 5.402 1 0 IKAFRO CN1CC[NH+]([C@@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000022926933 563026069 /nfs/dbraw/zinc/02/60/69/563026069.db2.gz YMPYNBMELXUYDF-FQEVSTJZSA-N 1 0 446.435 5.230 1 0 IKAFRO Cc1ccccc1[C@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[NH2+]CC1 ZINC000022926833 563026080 /nfs/dbraw/zinc/02/60/80/563026080.db2.gz HWXJZYJEUPUUCM-FQEVSTJZSA-N 1 0 446.435 5.196 1 0 IKAFRO Cc1ccc2c(cccc2OCC[NH+]2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000022933649 563026324 /nfs/dbraw/zinc/02/63/24/563026324.db2.gz LBMUXQIIUJNCCP-UHFFFAOYSA-N 1 0 430.379 5.047 1 0 IKAFRO c1ccc(CCC[NH2+]C[C@H]2CCCN2CCOC(c2ccccc2)c2ccccc2)cc1 ZINC000022938545 563026555 /nfs/dbraw/zinc/02/65/55/563026555.db2.gz GHAOQDNUNJNCCJ-MUUNZHRXSA-N 1 0 428.620 5.479 1 0 IKAFRO c1ccc(CCC[NH2+][C@H]2CCCCN(CCOC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000022938483 563026601 /nfs/dbraw/zinc/02/66/01/563026601.db2.gz ZYUGAHBWNOIKHF-LJAQVGFWSA-N 1 0 442.647 5.870 1 0 IKAFRO COc1cccc(/C=C/CN2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)c1 ZINC000022939435 563026710 /nfs/dbraw/zinc/02/67/10/563026710.db2.gz ILQSYUPQZVZUKN-PKNBQFBNSA-N 1 0 442.603 5.132 1 0 IKAFRO C[NH+]1CCN(CCCOc2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)c(Cl)c2)CC1 ZINC000023361011 563027084 /nfs/dbraw/zinc/02/70/84/563027084.db2.gz ZPKHJXYJHFUOGM-UHFFFAOYSA-N 1 0 441.019 5.197 1 0 IKAFRO Clc1ccc(CCC[NH+]2CCC(COC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000026000739 563028152 /nfs/dbraw/zinc/02/81/52/563028152.db2.gz XWYCTANJPVZWEB-UHFFFAOYSA-N 1 0 434.023 6.791 1 0 IKAFRO Fc1ccc(-n2cc(CC[NH+]3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1 ZINC000026147021 563028887 /nfs/dbraw/zinc/02/88/87/563028887.db2.gz GLFBIDLIDSKSBO-UHFFFAOYSA-N 1 0 426.535 5.834 1 0 IKAFRO c1csc(-n2cc(CCCC[NH+]3CCC4(CC3)OCc3ccccc34)c3ccccc32)c1 ZINC000026149844 563029080 /nfs/dbraw/zinc/02/90/80/563029080.db2.gz XQHBRYRWTUEGGP-UHFFFAOYSA-N 1 0 442.628 6.536 1 0 IKAFRO C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)[C@@H](c2nc(-c3ccc(Br)cc3)no2)C1 ZINC000026187519 563029911 /nfs/dbraw/zinc/02/99/11/563029911.db2.gz VGTHXWPAVSKNJJ-MSOLQXFVSA-N 1 0 432.749 5.355 1 0 IKAFRO Fc1ccc(/C=C/CC[N@@H+]2CC[C@@H]3[C@@H](C2)c2cc(F)ccc2N3c2ccc(F)cc2)cc1 ZINC000026188790 563029974 /nfs/dbraw/zinc/02/99/74/563029974.db2.gz XHWVVKJJQIEKLC-ULBOXCRCSA-N 1 0 434.505 6.517 1 0 IKAFRO COc1ccc2c(c1)OC[C@H](c1ccccc1)[C@H]2c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000026255981 563030176 /nfs/dbraw/zinc/03/01/76/563030176.db2.gz GOCOLXIVFQWUBL-PXJZQJOASA-N 1 0 443.587 5.868 1 0 IKAFRO COc1ccc2c(c1)OC[C@@H](c1ccccc1)[C@H]2c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000026255991 563030184 /nfs/dbraw/zinc/03/01/84/563030184.db2.gz GOCOLXIVFQWUBL-YTMVLYRLSA-N 1 0 443.587 5.868 1 0 IKAFRO c1nc2c(cccc2N2CC[NH2+]CC2)n1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000026399466 563031838 /nfs/dbraw/zinc/03/18/38/563031838.db2.gz IMRJYQQJJPTLSL-UHFFFAOYSA-N 1 0 444.582 5.286 1 0 IKAFRO Cc1cc(OCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(C)c(C)c1O ZINC000026471839 563032134 /nfs/dbraw/zinc/03/21/34/563032134.db2.gz YZGWPRVNSBJADE-UHFFFAOYSA-N 1 0 430.592 5.103 1 0 IKAFRO CCC(=O)N(c1ccccc1)C1(c2nc(C)cs2)CC[NH+](CCc2cccs2)CC1 ZINC000026568511 563033169 /nfs/dbraw/zinc/03/31/69/563033169.db2.gz NGWYIUXLERGTGP-UHFFFAOYSA-N 1 0 439.650 5.490 1 0 IKAFRO CCC(=O)N(c1ccccc1)C1(c2nc(C)cs2)CC[NH+](CCc2ccsc2)CC1 ZINC000026568519 563033171 /nfs/dbraw/zinc/03/31/71/563033171.db2.gz HNMAVVYNZGWZAJ-UHFFFAOYSA-N 1 0 439.650 5.490 1 0 IKAFRO CCC(=O)N(c1ccccc1F)C1(c2nccs2)CC[NH+](CCc2ccccc2)CC1 ZINC000026573384 563033448 /nfs/dbraw/zinc/03/34/48/563033448.db2.gz WLCRISJVGHWKET-UHFFFAOYSA-N 1 0 437.584 5.259 1 0 IKAFRO CCc1cc(OCc2ccc(-c3ccc(C)cc3-c3nn[nH]n3)cc2)c2c([nH+]1)CCCC2 ZINC000026577660 563033945 /nfs/dbraw/zinc/03/39/45/563033945.db2.gz YCHCSDRQYNIEBW-UHFFFAOYSA-N 1 0 425.536 5.257 1 0 IKAFRO CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]([NH3+])C[C@H](Cc1ccc(C(C)(C)C)cc1)CC(C)C ZINC000026657095 563034915 /nfs/dbraw/zinc/03/49/15/563034915.db2.gz WOFPCGJFVZCERV-VQPAQMSKSA-N 1 0 432.693 5.210 1 0 IKAFRO c1ccc(C[NH+](CCCCN2c3ccccc3CCc3ccccc32)Cc2ccccc2)cc1 ZINC000026661976 563035014 /nfs/dbraw/zinc/03/50/14/563035014.db2.gz VGEZZASLLJPKRE-UHFFFAOYSA-N 1 0 446.638 7.406 1 0 IKAFRO Clc1cccc(N2CC[NH+](C[C@@H]3C[C@@H]4c5ccccc5Cc5ccccc5[C@H]4O3)CC2)c1 ZINC000026663688 563035061 /nfs/dbraw/zinc/03/50/61/563035061.db2.gz VQILFXAHDTXCBG-HNPKZYAISA-N 1 0 445.006 5.680 1 0 IKAFRO O=C(NCCCC[N@@H+]1CCC[C@@H]2c3ccccc3CC[C@@H]21)c1ccc(-c2ccccc2)cc1 ZINC000026719584 563035522 /nfs/dbraw/zinc/03/55/22/563035522.db2.gz OPJTVMKUVYOWNC-WDYNHAJCSA-N 1 0 438.615 6.058 1 0 IKAFRO COC(=O)[C@H]1CCC[C@H]([NH2+]Cc2[nH]nc3cccc(OCc4ccc(C(C)(C)C)cc4)c32)C1 ZINC000026727635 563035847 /nfs/dbraw/zinc/03/58/47/563035847.db2.gz AGKXRBAYJBHVLK-FPOVZHCZSA-N 1 0 449.595 5.261 1 0 IKAFRO COc1cccc(OC)c1OCC[NH2+]C[C@H]1C(=O)c2ccccc2S[C@H]1c1ccccc1 ZINC000026743547 563036370 /nfs/dbraw/zinc/03/63/70/563036370.db2.gz GAWCPJXNKBSMOF-FNZWTVRRSA-N 1 0 449.572 5.018 1 0 IKAFRO CSc1cccc2c1CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]2C[NH+]1CCCC1 ZINC000026749604 563036494 /nfs/dbraw/zinc/03/64/94/563036494.db2.gz ZVPRPDZTSIAALA-NRFANRHFSA-N 1 0 449.447 5.480 1 0 IKAFRO c1[nH]c([C@@H]2Cc3c4ccccc4[nH]c3C3([NH2+]2)C2CC4CC(C2)CC3C4)nc1-c1ccccc1 ZINC000026823458 563037050 /nfs/dbraw/zinc/03/70/50/563037050.db2.gz TVVKGARVQPDXQJ-ULFTUBLDSA-N 1 0 434.587 6.096 1 0 IKAFRO COC(=O)[C@H]1C[N@H+](CCC(c2ccccc2)c2ccccc2)CC[C@@H]1c1ccc(Cl)cc1 ZINC000026935064 563037805 /nfs/dbraw/zinc/03/78/05/563037805.db2.gz JTLQFFOFUPIHPT-SXOMAYOGSA-N 1 0 448.006 6.141 1 0 IKAFRO COc1cccc(CN(CCC[N@H+]2C=CC=CC=CC2)c2cc(-c3ccccc3)no2)c1 ZINC000026978096 563038491 /nfs/dbraw/zinc/03/84/91/563038491.db2.gz COVGJOXMRYTEEO-UHFFFAOYSA-N 1 0 427.548 5.689 1 0 IKAFRO C[C@H]([NH2+]C[C@@H](Cc1ccccc1)NCc1cccc(Cl)c1)c1cccc2ccccc21 ZINC000026995536 563038849 /nfs/dbraw/zinc/03/88/49/563038849.db2.gz ZRWAMFWDHTXJIW-HFZDXXHNSA-N 1 0 429.007 6.545 1 0 IKAFRO C[C@H]([NH2+]C[C@@H](Cc1ccccc1)NCc1ccccc1Cl)c1cccc2ccccc21 ZINC000027077148 563039036 /nfs/dbraw/zinc/03/90/36/563039036.db2.gz BXUXAOCUFNDQLK-SQJMNOBHSA-N 1 0 429.007 6.545 1 0 IKAFRO C[N@@H+]1CCCN(c2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)CC1 ZINC000027203903 563040696 /nfs/dbraw/zinc/04/06/96/563040696.db2.gz PDIHJJKJNCYFNK-IZZNHLLZSA-N 1 0 448.588 5.207 1 0 IKAFRO Cc1ccc2c(c1)C(=O)N(CCCCC[N@H+]1CC=C(c3c[nH]c4ccc(F)cc34)CC1)C2=O ZINC000027330058 563041733 /nfs/dbraw/zinc/04/17/33/563041733.db2.gz QDSYGDXQPACKLI-UHFFFAOYSA-N 1 0 445.538 5.171 1 0 IKAFRO CCCC[N@@H+]1C[C@H](C(=O)OC2CCCCC2)C[C@H]2c3cccc4c3c(cn4C(C)C)C[C@@H]21 ZINC000027518427 563042600 /nfs/dbraw/zinc/04/26/00/563042600.db2.gz ONLUPAGVWPDBBI-DSBYRVASSA-N 1 0 436.640 6.228 1 0 IKAFRO Cc1cc(C)c(OCc2sc3ccccc3c2CCN2CCC([NH+](C)C)CC2)c(C)c1 ZINC000027526406 563043364 /nfs/dbraw/zinc/04/33/64/563043364.db2.gz SYIKGKYYUZWGBL-UHFFFAOYSA-N 1 0 436.665 5.974 1 0 IKAFRO C[C@@H](C(=O)N(C1CCCCC1)C(C)(C)C)C1(O)CC[NH+](CCc2ccccc2Cl)CC1 ZINC000027553073 563043526 /nfs/dbraw/zinc/04/35/26/563043526.db2.gz GRXAFMRADLKXMO-FQEVSTJZSA-N 1 0 449.079 5.305 1 0 IKAFRO Cc1c(F)c(Oc2cccc(CC(=O)C(C)C)c2)nc(Oc2cccc(C(N)=[NH2+])c2)c1F ZINC000027641504 563044993 /nfs/dbraw/zinc/04/49/93/563044993.db2.gz HFPPQCYDRVNGJV-UHFFFAOYSA-N 1 0 439.462 5.304 1 0 IKAFRO O=C1CC2(CCCC2)CC(=O)N1CCCC[N@H+]1CCc2c(Cl)ccc3c2[C@H](CCC3)C1 ZINC000027721137 563045862 /nfs/dbraw/zinc/04/58/62/563045862.db2.gz IVXZXHVIIMPLMA-HXUWFJFHSA-N 1 0 443.031 5.108 1 0 IKAFRO COc1ccc(OC)c2c1C[C@H](O)[C@@H]([NH2+]CCC(C1CCCCC1)C1CCCCC1)C2 ZINC000027720981 563045866 /nfs/dbraw/zinc/04/58/66/563045866.db2.gz RFLYKADVTWDXOJ-DQEYMECFSA-N 1 0 429.645 5.288 1 0 IKAFRO COc1cc2c(cc1OC)[C@H](CC[N@H+]1CC=C(c3ccc(Cl)cc3)CC1)OCCC2 ZINC000027729107 563046066 /nfs/dbraw/zinc/04/60/66/563046066.db2.gz YTDIYABRBKRUNH-QHCPKHFHSA-N 1 0 427.972 5.541 1 0 IKAFRO COc1cc2c(cc1OC)[C@@H](CC[N@H+]1CC=C(c3ccc(Cl)cc3)CC1)OCCC2 ZINC000027729114 563046089 /nfs/dbraw/zinc/04/60/89/563046089.db2.gz YTDIYABRBKRUNH-HSZRJFAPSA-N 1 0 427.972 5.541 1 0 IKAFRO O=C(c1ccco1)N(c1nc2ccccc2s1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000027735816 563046325 /nfs/dbraw/zinc/04/63/25/563046325.db2.gz PHXPAKBCXPKXEL-UHFFFAOYSA-N 1 0 431.561 5.243 1 0 IKAFRO FC(F)(F)c1ccc(Cn2c3cc(Cl)c(Cl)cc3nc2C2CC[NH2+]CC2)cc1 ZINC000027758585 563046885 /nfs/dbraw/zinc/04/68/85/563046885.db2.gz YEMSAPQNWXZRSN-UHFFFAOYSA-N 1 0 428.285 5.877 1 0 IKAFRO O=C(CCC[NH+]1CCC(NC(=O)Nc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 ZINC000027986478 563048878 /nfs/dbraw/zinc/04/88/78/563048878.db2.gz ABFDJKKIJUTGPG-UHFFFAOYSA-N 1 0 434.367 5.242 1 0 IKAFRO CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[NH2+][C@@]2(C)C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000027994742 563049054 /nfs/dbraw/zinc/04/90/54/563049054.db2.gz IKPGVNCLAATMJQ-TYVGTAKISA-N 1 0 427.717 6.753 1 0 IKAFRO Fc1ccc([C@@H]2C[C@@H]([NH+]3CCN(C/C=C/c4ccccc4)CC3)c3cc(F)ccc32)cc1 ZINC000028009390 563049607 /nfs/dbraw/zinc/04/96/07/563049607.db2.gz WFWXLDOWSRFXSJ-FZOVNGNZSA-N 1 0 430.542 5.873 1 0 IKAFRO CSc1sc(C(N)=[NH2+])cc1-c1csc(Nc2ccc(Nc3ccccc3)cc2)n1 ZINC000028012836 563049788 /nfs/dbraw/zinc/04/97/88/563049788.db2.gz LRFAHFBYANUWOO-UHFFFAOYSA-N 1 0 437.619 6.365 1 0 IKAFRO C[C@@H]([NH2+]CCCc1c2ccccc2[nH]c1-c1cccc(Br)c1)c1ccc(O)cc1 ZINC000028017239 563049973 /nfs/dbraw/zinc/04/99/73/563049973.db2.gz DJDBCHOVXHNUJE-QGZVFWFLSA-N 1 0 449.392 6.586 1 0 IKAFRO COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc3ccccc3c2)CCC[C@@H]1C[NH+](C)C ZINC000028091661 563050323 /nfs/dbraw/zinc/05/03/23/563050323.db2.gz REGOWQYAGCTQPJ-HXUWFJFHSA-N 1 0 448.588 5.022 1 0 IKAFRO COc1ccc2c(c1)c1c(n2S(=O)(=O)c2cccc3ccccc32)CCC[C@H]1C[NH+](C)C ZINC000028094140 563050420 /nfs/dbraw/zinc/05/04/20/563050420.db2.gz SAHVYMKUXSVQNV-IBGZPJMESA-N 1 0 448.588 5.022 1 0 IKAFRO OC[C@H]([NH2+][C@]1(c2ccccc2)c2ccccc2C[C@@H]1Cc1ccccc1)[C@@H](O)c1ccccc1 ZINC000028124095 563051138 /nfs/dbraw/zinc/05/11/38/563051138.db2.gz YCEGDEQDUXNFIY-QBCKSJLUSA-N 1 0 449.594 5.029 1 0 IKAFRO O=C(c1ccccc1)c1ccc2c(c1O)NC1(CCCCC1)[C@H]([NH2+]CC1CCCCC1)O2 ZINC000028125505 563051184 /nfs/dbraw/zinc/05/11/84/563051184.db2.gz TZXLMJRRPDIAEG-AREMUKBSSA-N 1 0 434.580 5.626 1 0 IKAFRO O=S(=O)(c1ccccc1)n1cc(C2=CC[N@H+](Cc3ccccc3)CC2)c2ccccc21 ZINC000028134365 563051440 /nfs/dbraw/zinc/05/14/40/563051440.db2.gz SRWMFYMQNVTDDC-UHFFFAOYSA-N 1 0 428.557 5.168 1 0 IKAFRO COc1ccc2c(c1)CS[C@H](c1ccccc1)[C@@H]2c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000028338428 563052739 /nfs/dbraw/zinc/05/27/39/563052739.db2.gz DXQFKXOLUSNFPJ-VSGBNLITSA-N 1 0 445.628 6.290 1 0 IKAFRO Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000028340376 563052857 /nfs/dbraw/zinc/05/28/57/563052857.db2.gz ZDTBDVCOJQNUOM-IZZNHLLZSA-N 1 0 449.572 5.540 1 0 IKAFRO Oc1ccc2c(c1)CS[C@H](c1ccccc1)[C@@H]2c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000028351887 563053233 /nfs/dbraw/zinc/05/32/33/563053233.db2.gz KNKMMFVVMHOSMW-KAYWLYCHSA-N 1 0 431.601 5.987 1 0 IKAFRO CC(C)[C@H](CC[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)Oc1cc(F)ccc1Cl ZINC000028356126 563053382 /nfs/dbraw/zinc/05/33/82/563053382.db2.gz IBFJWHIXOKNTCN-QFIPXVFZSA-N 1 0 445.966 5.253 1 0 IKAFRO CN(C(=O)Cc1ccccc1F)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028357192 563053391 /nfs/dbraw/zinc/05/33/91/563053391.db2.gz AQSZXJNAEASUOL-UHFFFAOYSA-N 1 0 444.594 5.513 1 0 IKAFRO CCNC(=O)c1ccc(C(c2c(C)noc2C)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccoc2)cc1 ZINC000028371767 563053865 /nfs/dbraw/zinc/05/38/65/563053865.db2.gz FLUSIOJERFHVHM-PSWAGMNNSA-N 1 0 445.563 5.263 1 0 IKAFRO C[NH+]1CCN(CCCOc2ccc(-c3cc(-c4cccc(C(F)(F)F)c4)no3)cc2)CC1 ZINC000028375365 563053968 /nfs/dbraw/zinc/05/39/68/563053968.db2.gz JAYXOYIRNYUIMZ-UHFFFAOYSA-N 1 0 445.485 5.044 1 0 IKAFRO Clc1ccc(C2=C[C@H]3CC[C@@H](C2)[N@@H+]3CCCOc2cccc3[nH]ccc32)cc1Cl ZINC000028384293 563054161 /nfs/dbraw/zinc/05/41/61/563054161.db2.gz WCYNKWZHPZSXCS-MOPGFXCFSA-N 1 0 427.375 6.564 1 0 IKAFRO CCCCN1Cc2ccccc2N(C2CC[NH+](C3CCC(C(C)C)CC3)CC2)S1(=O)=O ZINC000028390661 563054373 /nfs/dbraw/zinc/05/43/73/563054373.db2.gz VSDXQLNICFHYQZ-UHFFFAOYSA-N 1 0 447.689 5.033 1 0 IKAFRO COC(=O)c1ccc(CN2CCC[N@H+](CCC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000028391733 563054488 /nfs/dbraw/zinc/05/44/88/563054488.db2.gz RPZKIBRHAZXGAM-UHFFFAOYSA-N 1 0 442.603 5.203 1 0 IKAFRO CCNC(=O)c1ccc(C(c2cccnc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccoc2)cc1 ZINC000028394913 563054609 /nfs/dbraw/zinc/05/46/09/563054609.db2.gz IYJWIHQKUAXSKS-PLQXJYEYSA-N 1 0 427.548 5.053 1 0 IKAFRO [NH3+]CCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1ccc2ccccc2n1 ZINC000028464137 563055302 /nfs/dbraw/zinc/05/53/02/563055302.db2.gz RTTXVNCHGUKGPN-UHFFFAOYSA-N 1 0 442.592 5.048 1 0 IKAFRO Clc1ccc(-c2cc(-c3ccncc3)nc(N3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000028471563 563055530 /nfs/dbraw/zinc/05/55/30/563055530.db2.gz CUFHWLHUEPGCKM-UHFFFAOYSA-N 1 0 441.966 5.181 1 0 IKAFRO Cc1ccc(OCc2ccccc2)c([C@@H](CC[N@H+]2C[C@]3(C)C[C@]3(C)C2)c2ccccc2)c1 ZINC000028477393 563055855 /nfs/dbraw/zinc/05/58/55/563055855.db2.gz LYPDKARLUOPFRO-BHBSRLOASA-N 1 0 425.616 6.828 1 0 IKAFRO O=C(Nc1ccc(Sc2ccccc2)cc1)O[C@@H]1C2CC[NH+](CC2)[C@@H]1Cc1cccnc1 ZINC000028522690 563056102 /nfs/dbraw/zinc/05/61/02/563056102.db2.gz XBOHHLSXMQFYCZ-JWQCQUIFSA-N 1 0 445.588 5.487 1 0 IKAFRO Clc1ccc(-c2nc(COc3ccccc3C[NH+]3CCCCCCC3)cs2)cc1 ZINC000028523186 563056190 /nfs/dbraw/zinc/05/61/90/563056190.db2.gz AWBXIUCLPYICQI-UHFFFAOYSA-N 1 0 427.013 6.809 1 0 IKAFRO O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1cccc2c1cnn2CC[NH+]1CCCC1 ZINC000028524440 563056458 /nfs/dbraw/zinc/05/64/58/563056458.db2.gz MIDCAWMZEJAYFN-UHFFFAOYSA-N 1 0 441.535 5.568 1 0 IKAFRO Cc1c2cc(Cl)ccc2sc1S(=O)(=O)n1cc(C[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000028524816 563056605 /nfs/dbraw/zinc/05/66/05/563056605.db2.gz VWDNHNIRYGCLQH-QGZVFWFLSA-N 1 0 445.009 5.349 1 0 IKAFRO [NH3+][C@H](CNc1cc(-c2ccncc2)c(-c2cccc3ccccc32)nn1)Cc1ccc(F)cc1 ZINC000028525523 563056800 /nfs/dbraw/zinc/05/68/00/563056800.db2.gz KHQVSUSRTXDQKI-QHCPKHFHSA-N 1 0 449.533 5.480 1 0 IKAFRO Clc1cccc(-n2nc(C3CC[NH2+]CC3)cc2CCc2c(Cl)cccc2Cl)c1 ZINC000028526298 563056863 /nfs/dbraw/zinc/05/68/63/563056863.db2.gz QQVGRGGZOPNTAS-UHFFFAOYSA-N 1 0 434.798 6.085 1 0 IKAFRO Clc1ccc(COc2ccc(C=Cc3cc(C4CC[NH2+]CC4)[nH]n3)cc2)cc1Cl ZINC000028526885 563056961 /nfs/dbraw/zinc/05/69/61/563056961.db2.gz JIYGFUOFCCDVIL-ORCRQEGFSA-N 1 0 428.363 5.933 1 0 IKAFRO C[NH+](C)Cc1ccc2n1Cc1ccccc1N(C(=O)c1ccc(-c3cccs3)cc1)C2 ZINC000028528278 563057177 /nfs/dbraw/zinc/05/71/77/563057177.db2.gz SPXPNUZPKUVJLB-UHFFFAOYSA-N 1 0 427.573 5.487 1 0 IKAFRO C[C@H]1C[N@H+](CCc2ccccc2)[C@H](CCCc2ccccc2)C[C@@]1(C)c1cccc(O)c1 ZINC000028567998 563058436 /nfs/dbraw/zinc/05/84/36/563058436.db2.gz OUWLFPDEWNFHLB-PDVBFRJSSA-N 1 0 427.632 6.626 1 0 IKAFRO O=C1Nc2ccccc2[C@@H](c2ccccc2)N1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000028568074 563058447 /nfs/dbraw/zinc/05/84/47/563058447.db2.gz NBWUEXRNUZNQAL-RUZDIDTESA-N 1 0 431.967 5.942 1 0 IKAFRO O=C(NCCC[NH+]1CCC2(CCc3ccccc32)CC1)C1(c2ccccc2)CCCCC1 ZINC000028569178 563058709 /nfs/dbraw/zinc/05/87/09/563058709.db2.gz ODXRATCFBHEUPP-UHFFFAOYSA-N 1 0 430.636 5.375 1 0 IKAFRO CC(C)(C)[C@H]([NH2+]C[C@H](O)COc1ccccc1C(=O)CCc1ccccc1)c1ccccc1 ZINC000028637027 563059839 /nfs/dbraw/zinc/05/98/39/563059839.db2.gz NXLSPYIPMYWKMG-RBJSKKJNSA-N 1 0 445.603 5.619 1 0 IKAFRO CC(C)[C@@H]([NH2+]C[C@H](O)COc1ccccc1C(=O)CCc1ccccc1)c1ccccc1 ZINC000028636823 563059867 /nfs/dbraw/zinc/05/98/67/563059867.db2.gz IMSAUJVBNBXQTC-RBJSKKJNSA-N 1 0 431.576 5.229 1 0 IKAFRO Cc1cccc(C)c1Nc1ncc(-c2ccc(OC[C@@H]3CCC[N@@H+](C)C3)cc2)n2cncc12 ZINC000028639995 563060043 /nfs/dbraw/zinc/06/00/43/563060043.db2.gz ZMNIUTKMAXSZLK-OAQYLSRUSA-N 1 0 441.579 5.477 1 0 IKAFRO O=C(Nc1ccc(F)c(Cl)c1)N(CC[NH+]1CCCC1)[C@@H]1CC=C(c2cccnc2)CC1 ZINC000028650210 563061088 /nfs/dbraw/zinc/06/10/88/563061088.db2.gz XRKKPQCDVNMDGA-OAQYLSRUSA-N 1 0 442.966 5.440 1 0 IKAFRO O=C(Nc1ccc(F)c(Cl)c1)N(CC[NH+]1CCCC1)[C@H]1CC=C(c2ccco2)CC1 ZINC000028650223 563061102 /nfs/dbraw/zinc/06/11/02/563061102.db2.gz UAUSDCVOZKQEPQ-IBGZPJMESA-N 1 0 431.939 5.638 1 0 IKAFRO C[NH+](C)CC[C@H](NC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1 ZINC000028654042 563061291 /nfs/dbraw/zinc/06/12/91/563061291.db2.gz UKQYUZDXTPCKEO-QHCPKHFHSA-N 1 0 428.498 5.600 1 0 IKAFRO C[C@]12CC[C@@H]3c4ccc(OCCCCCCC[n+]5ccccc5)cc4CC[C@H]3[C@@H]1CCC2=O ZINC000028655196 563061343 /nfs/dbraw/zinc/06/13/43/563061343.db2.gz QVUBQOYFSYWJAF-LWFIHPCQSA-N 1 0 446.655 6.429 1 0 IKAFRO Cc1ccc(NC(=O)C(C)C)cc1C1CC[NH+](CCCNC(=O)[C@@H](C)c2ccccc2)CC1 ZINC000028710184 563062439 /nfs/dbraw/zinc/06/24/39/563062439.db2.gz NJJVZQKTUZLDJG-QFIPXVFZSA-N 1 0 449.639 5.079 1 0 IKAFRO Cc1ccccc1-c1nc2ccc(Oc3ccc(F)cc3)cc2c(=O)n1C[C@@H]1CCC[NH2+]C1 ZINC000028711890 563062795 /nfs/dbraw/zinc/06/27/95/563062795.db2.gz FKNVILKOXAKHLQ-LJQANCHMSA-N 1 0 443.522 5.303 1 0 IKAFRO CC(C)[NH+](CC[C@]1(c2ccccc2)C(=O)N=C(c2ccccc2)N2CCCC[C@@H]21)C(C)C ZINC000028755235 563063286 /nfs/dbraw/zinc/06/32/86/563063286.db2.gz XCXQFLGDQYOVKM-LEAFIULHSA-N 1 0 431.624 5.275 1 0 IKAFRO CC(C)[NH+](CC[C@]1(c2ccccc2)C(=O)N[C@H](c2ccccc2)N2CCCC[C@H]21)C(C)C ZINC000028755217 563063347 /nfs/dbraw/zinc/06/33/47/563063347.db2.gz IGHPVIUYETXOHE-UNCTUWKVSA-N 1 0 433.640 5.116 1 0 IKAFRO CC(C)[NH+](CC[C@]1(c2ccc(-c3ccccc3)cc2)C(=O)N=CN2CCCC[C@@H]21)C(C)C ZINC000028755837 563063375 /nfs/dbraw/zinc/06/33/75/563063375.db2.gz QPPJEWFQDRVZEN-IXCJQBJRSA-N 1 0 431.624 5.523 1 0 IKAFRO CC(C)[NH+](CC[C@@]1(c2ccc(-c3ccccc3)cc2)C(=O)NCN2CCCC[C@H]21)C(C)C ZINC000028755743 563063387 /nfs/dbraw/zinc/06/33/87/563063387.db2.gz HGYTZWBWQCKAAF-XCZPVHLTSA-N 1 0 433.640 5.042 1 0 IKAFRO C[C@H]1CC[C@H](C)[NH+]1CCCOc1ccc(-c2ccc(C(=O)N3CCC(C)CC3)cc2)cc1 ZINC000028760361 563063726 /nfs/dbraw/zinc/06/37/26/563063726.db2.gz WWSWVZCIHWNVED-GOTSBHOMSA-N 1 0 434.624 5.867 1 0 IKAFRO CC/C(=C(\c1ccccc1)c1ccc(OCCN2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000028761932 563063795 /nfs/dbraw/zinc/06/37/95/563063795.db2.gz BNMSAIMWMCGZDO-ZIADKAODSA-N 1 0 426.604 5.682 1 0 IKAFRO CCCN[C@H](c1ccc(Cl)cc1Cl)[C@@H]([NH2+]CCC)c1ccc(Cl)cc1Cl ZINC000028764625 563064018 /nfs/dbraw/zinc/06/40/18/563064018.db2.gz FASYCQWBVNXZFV-BGYRXZFFSA-N 1 0 434.238 7.082 1 0 IKAFRO C[NH+](C)C1CCC(Nc2nc3ccccc3c(Nc3cccc(Br)c3)n2)CC1 ZINC000028772319 563064391 /nfs/dbraw/zinc/06/43/91/563064391.db2.gz YBLDWLYBHUVECK-UHFFFAOYSA-N 1 0 440.389 5.421 1 0 IKAFRO c1ccc([C@@H]2OC(c3ccc(OCCC[NH+]4CCCCC4)cc3)O[C@H]2c2ccccc2)cc1 ZINC000028816140 563064499 /nfs/dbraw/zinc/06/44/99/563064499.db2.gz SXVWUALPHQRIGF-NSOVKSMOSA-N 1 0 443.587 6.469 1 0 IKAFRO C/C(=C\C[n+]1cn(C)c2ncnc(N)c21)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000028816718 563064652 /nfs/dbraw/zinc/06/46/52/563064652.db2.gz MFTWBNLVZQNBIL-BIDSZKBNSA-N 1 0 428.689 6.223 1 0 IKAFRO CC[NH+](CC)CCC[C@H](C)Nc1ncc2c(ncn2Cc2ccc(Cl)cc2Cl)n1 ZINC000028817840 563064776 /nfs/dbraw/zinc/06/47/76/563064776.db2.gz ORMOKIUSNFANPO-HNNXBMFYSA-N 1 0 435.403 5.104 1 0 IKAFRO CC[NH+](CC)CCC[C@H](C)Nc1ccc2cnn(Cc3ccc(Cl)cc3Cl)c2n1 ZINC000028817843 563064823 /nfs/dbraw/zinc/06/48/23/563064823.db2.gz WVFBWTWTRQHWIC-INIZCTEOSA-N 1 0 434.415 5.709 1 0 IKAFRO CC(C)[N@H+](C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NC(C)(C)C)n1 ZINC000028822173 563065652 /nfs/dbraw/zinc/06/56/52/563065652.db2.gz ZMYWIOYRNMDHLI-UHFFFAOYSA-N 1 0 446.574 5.648 1 0 IKAFRO C[NH+](C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(Nc2ccccc2)n1 ZINC000028822164 563065660 /nfs/dbraw/zinc/06/56/60/563065660.db2.gz NBZFVVOLZDEOTA-UHFFFAOYSA-N 1 0 438.510 5.403 1 0 IKAFRO [NH3+]CCCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12 ZINC000028825893 563066342 /nfs/dbraw/zinc/06/63/42/563066342.db2.gz PMPJGCVOUHYLHU-UHFFFAOYSA-N 1 0 427.592 5.802 1 0 IKAFRO Fc1ccc(CC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000028827094 563066595 /nfs/dbraw/zinc/06/65/95/563066595.db2.gz BDHINVDMKKOVJL-UHFFFAOYSA-N 1 0 446.545 5.482 1 0 IKAFRO CC(C)(C)C(=O)O[C@@H]1CC2([NH+]3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000028863155 563067104 /nfs/dbraw/zinc/06/71/04/563067104.db2.gz APXNCZPSWSMUGA-ILJVJQMQSA-N 1 0 445.647 6.550 1 0 IKAFRO CC[C@@H](C)[NH2+]Cc1ccc(Nc2cc(-c3ccc(-c4ccc(O)cc4O)cc3)[nH]n2)cn1 ZINC000028868358 563067360 /nfs/dbraw/zinc/06/73/60/563067360.db2.gz TUWIBANTVSJOCR-MRXNPFEDSA-N 1 0 429.524 5.182 1 0 IKAFRO Cc1ccc(C[NH+]2CCC(NC(=O)NCc3ccc(-c4ccc(F)cc4)cc3)CC2)cc1 ZINC000028874075 563067568 /nfs/dbraw/zinc/06/75/68/563067568.db2.gz RXSPFWYZXYRTRF-UHFFFAOYSA-N 1 0 431.555 5.265 1 0 IKAFRO CC(=O)Nc1ccc(SCCC[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000028886710 563068163 /nfs/dbraw/zinc/06/81/63/563068163.db2.gz RUINEBRTZHOOIJ-UHFFFAOYSA-N 1 0 438.424 5.256 1 0 IKAFRO O=C1O[C@@H](c2cccc3ccccc32)CN1C1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000028892470 563068500 /nfs/dbraw/zinc/06/85/00/563068500.db2.gz XIUZRJJVOTWZOZ-AREMUKBSSA-N 1 0 425.532 5.479 1 0 IKAFRO CCC[N@H+](CCC1CC1)Cc1c(C)nc2n1c1cccnc1n2-c1c(C)cc(C)cc1C ZINC000028903732 563069262 /nfs/dbraw/zinc/06/92/62/563069262.db2.gz AXPHBYMSNVRSMB-UHFFFAOYSA-N 1 0 429.612 5.919 1 0 IKAFRO COc1ccc2c(C)cc(N[C@H]3CCC[C@H]([NH2+]Cc4ccc(Cl)c(Cl)c4)C3)nc2c1 ZINC000028951086 563069629 /nfs/dbraw/zinc/06/96/29/563069629.db2.gz FHCNKAAOBUPAHQ-ROUUACIJSA-N 1 0 444.406 6.372 1 0 IKAFRO CC[NH+](CC)CCOc1ccc2ccccc2c1[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000028955571 563070168 /nfs/dbraw/zinc/07/01/68/563070168.db2.gz USXWCPBIAMCMOB-NDEPHWFRSA-N 1 0 427.563 6.880 1 0 IKAFRO Clc1ccc([C@H](c2ccccc2)c2ccc(OCC[NH+]3CCCC3)c3ccccc32)cc1 ZINC000028955545 563070169 /nfs/dbraw/zinc/07/01/69/563070169.db2.gz FJYTWQZHFWAWRE-LJAQVGFWSA-N 1 0 442.002 7.148 1 0 IKAFRO Cc1c[nH]c2cc(C(=O)N[C@@H](COCC3CC[NH+](C(C)C)CC3)c3ccccc3)ccc12 ZINC000028957670 563070526 /nfs/dbraw/zinc/07/05/26/563070526.db2.gz DGORSLSMNILBDB-SANMLTNESA-N 1 0 433.596 5.084 1 0 IKAFRO Cc1nn(-c2cccc(C[NH3+])c2)c2c1ccc(-c1ccc(N3CCCCC3=O)cc1)c2F ZINC000028964191 563071015 /nfs/dbraw/zinc/07/10/15/563071015.db2.gz SQBDNZQCKOXVTI-UHFFFAOYSA-N 1 0 428.511 5.116 1 0 IKAFRO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@H](c2ccccc2)[C@@H]1C[NH+]1CCCC1 ZINC000029042750 563072245 /nfs/dbraw/zinc/07/22/45/563072245.db2.gz ZNTZIKSQFJBYMA-OFNKIYASSA-N 1 0 431.407 5.407 1 0 IKAFRO CC(C)C[C@]1(CCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c2ccccc2NC1=O ZINC000029052535 563073092 /nfs/dbraw/zinc/07/30/92/563073092.db2.gz WCILESILEVDHCT-AREMUKBSSA-N 1 0 440.031 5.569 1 0 IKAFRO CC[C@]1(CCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2ccc(F)cc21 ZINC000029052770 563073173 /nfs/dbraw/zinc/07/31/73/563073173.db2.gz OGUHCHBFMUYJMX-XMMPIXPASA-N 1 0 429.967 5.072 1 0 IKAFRO CC[C@@]1(CCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c2cc(Cl)ccc2NC1=O ZINC000029052751 563073207 /nfs/dbraw/zinc/07/32/07/563073207.db2.gz YFDRVPRNWMMHLM-XMMPIXPASA-N 1 0 446.422 5.586 1 0 IKAFRO CCC[N@@H+]1C[C@@H]2[C@H](c3ccccc3)CC[C@H]1CN2Cc1ccc(C(=O)N(CC)CC)cc1 ZINC000029123573 563073966 /nfs/dbraw/zinc/07/39/66/563073966.db2.gz YNPJXHDZWVQOGL-GMQQYTKMSA-N 1 0 433.640 5.011 1 0 IKAFRO COc1ccc(-n2nc(-c3ccc(-c4ccccc4)cc3)n[n+]2-c2ccc(Cl)cc2)cc1 ZINC000029130557 563075580 /nfs/dbraw/zinc/07/55/80/563075580.db2.gz KJMMBPAITOTOBI-UHFFFAOYSA-N 1 0 439.926 5.540 1 0 IKAFRO Clc1ccc(-[n+]2nc(-c3ccc(OCc4ccccc4)cc3)nn2-c2ccccc2)cc1 ZINC000029130653 563075597 /nfs/dbraw/zinc/07/55/97/563075597.db2.gz LITFCGQYSFPBTC-UHFFFAOYSA-N 1 0 439.926 5.443 1 0 IKAFRO CC(C)(C)C1CCC([NH+]2CCC(C(=O)NCc3ccccc3)(c3ccccc3)CC2)CC1 ZINC000029133956 563076010 /nfs/dbraw/zinc/07/60/10/563076010.db2.gz QNNACMRRKWSCAS-UHFFFAOYSA-N 1 0 432.652 5.942 1 0 IKAFRO CC(C)C1CCC([NH+]2CCC(C(=O)NCc3ccccc3)(c3ccccc3F)CC2)CC1 ZINC000029133958 563076039 /nfs/dbraw/zinc/07/60/39/563076039.db2.gz QTHLOHJIIIDSDF-UHFFFAOYSA-N 1 0 436.615 5.691 1 0 IKAFRO Clc1cccc([C@@](c2ccc(C[NH+]3CCCC3)cc2)(c2ccccn2)n2ccnc2)c1 ZINC000029134704 563076084 /nfs/dbraw/zinc/07/60/84/563076084.db2.gz WLCDUINKZRNEMK-SANMLTNESA-N 1 0 428.967 5.368 1 0 IKAFRO CC[NH+](CC)C1CCC(Nc2nc3ccccc3c(Nc3ccc(SC)cc3)n2)CC1 ZINC000029203639 563076335 /nfs/dbraw/zinc/07/63/35/563076335.db2.gz LIUDAVKIIBGPQN-UHFFFAOYSA-N 1 0 435.641 6.160 1 0 IKAFRO C[NH+](C)C1CCC(Nc2nc3ccccc3c(Nc3cc(Cl)cc(Cl)c3)n2)CC1 ZINC000029203554 563076347 /nfs/dbraw/zinc/07/63/47/563076347.db2.gz BNWAUBQCQPMODD-UHFFFAOYSA-N 1 0 430.383 5.965 1 0 IKAFRO Clc1cc(Cl)cc(Nc2nc(NCCC[NH+]3CCCCC3)nc3ccccc32)c1 ZINC000029205103 563076438 /nfs/dbraw/zinc/07/64/38/563076438.db2.gz DXSHUZCHVWFSGP-UHFFFAOYSA-N 1 0 430.383 5.968 1 0 IKAFRO CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]([NH3+])CC(C)(C)CCCc1cccc2ccccc21 ZINC000029390407 563078854 /nfs/dbraw/zinc/07/88/54/563078854.db2.gz HVUPTNLDQMEZKK-YNJKOYDBSA-N 1 0 426.645 5.210 1 0 IKAFRO C[C@H]1[C@H]2Cc3ccc(SC(=O)c4ccccc4)cc3[C@]1(C)CC[N@@H+]2Cc1ccccc1 ZINC000029404559 563079439 /nfs/dbraw/zinc/07/94/39/563079439.db2.gz TWLUVFQWKNYWCT-TUDQOENJSA-N 1 0 427.613 6.344 1 0 IKAFRO COc1ccc(C(=O)c2cccc([C@H](C)C[N@@H+]3CCCC[C@@H]3CC3CCCCC3)c2)cc1 ZINC000029410132 563079802 /nfs/dbraw/zinc/07/98/02/563079802.db2.gz MUKZEHLYYAFENJ-AJTFRIOCSA-N 1 0 433.636 6.855 1 0 IKAFRO CCCC[NH+](CCCC)CCCOc1ccc(-c2nc(-c3ccccc3)sc2C)cc1 ZINC000029474644 563080791 /nfs/dbraw/zinc/08/07/91/563080791.db2.gz QJBVCJXTFJBKBP-UHFFFAOYSA-N 1 0 436.665 7.457 1 0 IKAFRO Cc1ccc(/C=C/C(=O)NCCCCC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc1 ZINC000029477232 563080912 /nfs/dbraw/zinc/08/09/12/563080912.db2.gz MJLSKDJDGNWLEB-BUHFOSPRSA-N 1 0 429.608 5.656 1 0 IKAFRO CCCC[NH+](CCCC)CCCOc1ccc(-c2csc(-c3ccc(C)cc3)n2)cc1 ZINC000029478497 563080939 /nfs/dbraw/zinc/08/09/39/563080939.db2.gz OORTVZFHWYGTKD-UHFFFAOYSA-N 1 0 436.665 7.457 1 0 IKAFRO Cc1cc(C)cc(COC[C@@H]([NH2+]Cc2ccccc2)C(c2ccccc2)c2ccccc2)c1 ZINC000029558609 563082202 /nfs/dbraw/zinc/08/22/02/563082202.db2.gz JJKIBFLSCJUQHC-SSEXGKCCSA-N 1 0 435.611 6.811 1 0 IKAFRO O=C(CCC[N@H+]1CC[C@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)Nc1ccccc1 ZINC000029558880 563082228 /nfs/dbraw/zinc/08/22/28/563082228.db2.gz GPXCZZUKSBSNHY-RSXGOPAZSA-N 1 0 447.529 5.693 1 0 IKAFRO O=c1[nH]c2cccc3cccc(c32)n1CC[NH+]1CCC(Cc2c[nH]c3ccc(F)cc23)CC1 ZINC000029562138 563082383 /nfs/dbraw/zinc/08/23/83/563082383.db2.gz QHPHOWVDZTXSOR-UHFFFAOYSA-N 1 0 442.538 5.470 1 0 IKAFRO CCc1c(C)[nH]c(=O)c(NC(=O)CCCCCCCCC[NH3+])c1Cc1cc(C)cc(C)c1 ZINC000029564218 563082456 /nfs/dbraw/zinc/08/24/56/563082456.db2.gz NLULQTPWLYENNP-UHFFFAOYSA-N 1 0 439.644 5.884 1 0 IKAFRO C[C@H](C[NH+]1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000029564047 563082464 /nfs/dbraw/zinc/08/24/64/563082464.db2.gz IDJNYUHFUXECLI-OAQYLSRUSA-N 1 0 442.582 5.904 1 0 IKAFRO C[C@H](Cc1ccccc1)[NH+]1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000029565250 563082587 /nfs/dbraw/zinc/08/25/87/563082587.db2.gz BKAOISZSELRNGD-OAQYLSRUSA-N 1 0 442.582 5.731 1 0 IKAFRO Clc1ccc(Cn2c3ccccc3nc2NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000029568547 563082809 /nfs/dbraw/zinc/08/28/09/563082809.db2.gz CBVWQFMRHSDHIL-UHFFFAOYSA-N 1 0 445.010 5.857 1 0 IKAFRO c1c2cccc3c2n(c1CC[NH+](Cc1ccccc1)Cc1ccccc1)-c1ccccc1CC3 ZINC000031983650 563083947 /nfs/dbraw/zinc/08/39/47/563083947.db2.gz PUCRVFBKKHRWSW-UHFFFAOYSA-N 1 0 442.606 6.974 1 0 IKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2nccc(C)c2c1OCc1cccc(C(F)(F)F)c1 ZINC000032023124 563084009 /nfs/dbraw/zinc/08/40/09/563084009.db2.gz KWXDHTBOEAXXHW-INIZCTEOSA-N 1 0 447.501 5.689 1 0 IKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2nccc(C)c2c1Oc1ccc(Cl)c(Cl)c1 ZINC000032024802 563084038 /nfs/dbraw/zinc/08/40/38/563084038.db2.gz UEFVAUCKVCFRDW-CQSZACIVSA-N 1 0 434.367 6.190 1 0 IKAFRO CN1CC[NH+](CCC/N=c2\cc(-c3ccc(Cl)cc3)sc3ccc(Cl)cc32)CC1 ZINC000032155975 563084163 /nfs/dbraw/zinc/08/41/63/563084163.db2.gz YHLOIHBIALNBLS-YYADALCUSA-N 1 0 446.447 5.413 1 0 IKAFRO CC(C)(C)C1(O)CC[NH+](C[C@H]2c3ccccc3CCc3ccc(Br)cc32)CC1 ZINC000033875353 563084949 /nfs/dbraw/zinc/08/49/49/563084949.db2.gz TZXGMZSFQAFIAT-QHCPKHFHSA-N 1 0 442.441 5.553 1 0 IKAFRO Oc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000033917426 563085059 /nfs/dbraw/zinc/08/50/59/563085059.db2.gz OUSCXVGRSXJTRW-LAUBAEHRSA-N 1 0 429.486 5.692 1 0 IKAFRO CCCCCCc1c2ccc(OC)c(OC)c2c[n+]2c1-c1cc(OC)c(OC)cc1CC2 ZINC000034207734 563085856 /nfs/dbraw/zinc/08/58/56/563085856.db2.gz CAULRPBNPBUYLL-UHFFFAOYSA-N 1 0 436.572 5.508 1 0 IKAFRO Cc1ccc2c(cccc2OCC[NH+]2CCC(Cc3cccc(N4CCCC4)c3)CC2)n1 ZINC000034376079 563086222 /nfs/dbraw/zinc/08/62/22/563086222.db2.gz UQEVOSZWLMVVJM-UHFFFAOYSA-N 1 0 429.608 5.477 1 0 IKAFRO CC(C)[NH+](CCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1F)C(C)C ZINC000034352524 563086227 /nfs/dbraw/zinc/08/62/27/563086227.db2.gz NOBOZIMCCXSRPE-UHFFFAOYSA-N 1 0 434.555 6.243 1 0 IKAFRO Cc1c(-c2ccc3cc(CC[N@H+]4CCC[C@H]4C)ccc3n2)sc2nc3ccccc3n12 ZINC000034661636 563086894 /nfs/dbraw/zinc/08/68/94/563086894.db2.gz JHZTZJQZFCCJBJ-QGZVFWFLSA-N 1 0 426.589 6.099 1 0 IKAFRO Fc1ccc(-c2ncn(C3CC[NH2+]CC3)c2-c2ccnc(Oc3ccccc3F)n2)cc1 ZINC000034753279 563087047 /nfs/dbraw/zinc/08/70/47/563087047.db2.gz DTSCAJVWSSGYIS-UHFFFAOYSA-N 1 0 433.462 5.002 1 0 IKAFRO C[N@@H+]1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3ccc(C(C)(C)C)c4[nH]cc(c43)C[C@H]21 ZINC000034800963 563087360 /nfs/dbraw/zinc/08/73/60/563087360.db2.gz DENVMYPRJDLGGR-BPUDTRNYSA-N 1 0 445.607 5.352 1 0 IKAFRO O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CC[NH+](CCCc2ccccc2)CC1 ZINC000034802182 563087581 /nfs/dbraw/zinc/08/75/81/563087581.db2.gz QGNPVKPZJQODAL-UHFFFAOYSA-N 1 0 439.603 5.053 1 0 IKAFRO Cn1cc(-c2ccc3[nH]c(=O)c(-c4cc5cc(C[NH+]6CCCCC6)ccc5[nH]4)cc3c2)cn1 ZINC000034804247 563087867 /nfs/dbraw/zinc/08/78/67/563087867.db2.gz CRUSRZJJCKYHJS-UHFFFAOYSA-N 1 0 437.547 5.063 1 0 IKAFRO Cc1cccc(C)c1Nc1nn(CCC[NH+]2CCCC2)c2nc(Nc3ccccc3)ncc12 ZINC000034894613 563088552 /nfs/dbraw/zinc/08/85/52/563088552.db2.gz DDBFKBRSCZHTFT-UHFFFAOYSA-N 1 0 441.583 5.416 1 0 IKAFRO C[C@H]1C[N@@H+]2C[C@H](c3ccccc3)N(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 ZINC000035075235 563089178 /nfs/dbraw/zinc/08/91/78/563089178.db2.gz YREAXUCMJLVXEL-DNLODUJGSA-N 1 0 426.604 5.617 1 0 IKAFRO C[NH+](C)[C@@H]1CC[C@@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1 ZINC000035998235 563090671 /nfs/dbraw/zinc/09/06/71/563090671.db2.gz QHPRLDAGUGKEPY-NHCUHLMSSA-N 1 0 445.447 6.293 1 0 IKAFRO Cc1cccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CC[NH2+]CC3)n2)c1C ZINC000036127069 563091296 /nfs/dbraw/zinc/09/12/96/563091296.db2.gz YJNZNIAEANFDMJ-UHFFFAOYSA-N 1 0 443.526 5.480 1 0 in-vitro IKAFRO C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)[C@H](C(=O)OCCC(c2ccccc2)c2ccccc2)C1 ZINC000036270774 563092466 /nfs/dbraw/zinc/09/24/66/563092466.db2.gz QZJCKWFHBYEESM-KAYWLYCHSA-N 1 0 448.006 6.141 1 0 IKAFRO Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@H]2COC(c2ccc(F)cc2)c2ccc(F)cc2)[N@@H+]3C)cc1 ZINC000036270780 563092492 /nfs/dbraw/zinc/09/24/92/563092492.db2.gz WXEOOMWVKIXGIR-VIJSPRBVSA-N 1 0 447.569 6.646 1 0 IKAFRO CCOc1ccccc1C[NH2+][C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 ZINC000036323653 563092726 /nfs/dbraw/zinc/09/27/26/563092726.db2.gz GPUOQABHPXXQED-VMPREFPWSA-N 1 0 426.604 5.470 1 0 IKAFRO CCc1ccc(-c2ccc3c(c2)occ(-c2ccc(N4CC[C@H]([NH+](C)C)C4)nc2)c3=O)cc1 ZINC000036351620 563093345 /nfs/dbraw/zinc/09/33/45/563093345.db2.gz KHZXHCLAAWWJGQ-QHCPKHFHSA-N 1 0 439.559 5.225 1 0 IKAFRO CCCc1cc(NCC)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2[nH+]1 ZINC000036351895 563093447 /nfs/dbraw/zinc/09/34/47/563093447.db2.gz JXYWPRQUTYZSHK-MDWZMJQESA-N 1 0 427.470 6.290 1 0 IKAFRO CCCc1cc(N(C)C)c2cc(NC(=O)CCc3ccc(C(F)(F)F)cc3)ccc2[nH+]1 ZINC000036351891 563093513 /nfs/dbraw/zinc/09/35/13/563093513.db2.gz BWPRHHQVXCBTKQ-UHFFFAOYSA-N 1 0 429.486 5.843 1 0 IKAFRO CCC[N@H+](CCCCNc1ccnc2cc(Cl)ccc21)Cc1cc(F)ccc1OC ZINC000036474061 563095372 /nfs/dbraw/zinc/09/53/72/563095372.db2.gz ZZIZUCRRSLRFCS-UHFFFAOYSA-N 1 0 429.967 6.140 1 0 IKAFRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c(Cl)c1)c1cccc2ccccc21 ZINC000036476022 563095435 /nfs/dbraw/zinc/09/54/35/563095435.db2.gz PMYMENPPVGYIAN-GRFCFPJTSA-N 1 0 441.402 6.538 1 0 IKAFRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1C(F)(F)F)c1cccc2ccccc21 ZINC000036476025 563095463 /nfs/dbraw/zinc/09/54/63/563095463.db2.gz DUFMYNUMKOAUFA-PKKBDPGCSA-N 1 0 440.509 6.250 1 0 IKAFRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1)c1cccc2ccccc21 ZINC000036476088 563095571 /nfs/dbraw/zinc/09/55/71/563095571.db2.gz ZHUPEKHGIMUOGO-PKKBDPGCSA-N 1 0 443.012 5.434 1 0 IKAFRO CC(C)=CC(=O)N(C)[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[NH+](C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000040391340 563099837 /nfs/dbraw/zinc/09/98/37/563099837.db2.gz AMPGFGUJCWGBEW-BXEZMNAOSA-N 1 0 442.732 6.389 1 0 IKAFRO [NH3+]C[C@@H](NC(=O)c1cc(-c2ccccc2)c(-c2ccnc3[nH]ccc32)s1)c1ccccc1 ZINC000040408984 563101565 /nfs/dbraw/zinc/10/15/65/563101565.db2.gz NOROMZLDWXCWKI-JOCHJYFZSA-N 1 0 438.556 5.388 1 0 IKAFRO OC(c1ccc(F)cc1)(c1ccc(F)cc1)C1CC[NH+](CCCCc2ccccc2)CC1 ZINC000040505694 563104235 /nfs/dbraw/zinc/10/42/35/563104235.db2.gz YNVJEMNCZCBUHL-UHFFFAOYSA-N 1 0 435.558 5.936 1 0 IKAFRO CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[NH2+][C@@]2(C)C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040525688 563104379 /nfs/dbraw/zinc/10/43/79/563104379.db2.gz IKPGVNCLAATMJQ-LURFVWDVSA-N 1 0 427.717 6.753 1 0 IKAFRO Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000040556625 563104590 /nfs/dbraw/zinc/10/45/90/563104590.db2.gz PJCKFDSSGBQWHW-UHFFFAOYSA-N 1 0 443.374 5.809 1 0 IKAFRO O=C1NC[C@@H](c2ccc(F)cc2)C12CC[NH+](C1(c3ccc(F)cc3)CCCCCC1)CC2 ZINC000040565680 563104857 /nfs/dbraw/zinc/10/48/57/563104857.db2.gz RDRVJQLAEXTGRZ-DEOSSOPVSA-N 1 0 438.562 5.510 1 0 IKAFRO CC(C)CC[NH2+][C@@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000040566182 563104894 /nfs/dbraw/zinc/10/48/94/563104894.db2.gz RDTVWHAKESBWNU-LJQANCHMSA-N 1 0 446.435 5.717 1 0 IKAFRO COC(=O)CCC[NH2+]C[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040575885 563105295 /nfs/dbraw/zinc/10/52/95/563105295.db2.gz WZFGYZBIBCKUTK-VDPKLVTDSA-N 1 0 431.661 5.105 1 0 IKAFRO O=C1CC2([NH+]3CCCCC3)C[C@@H](c3ccc(Cl)cc3)C(N1)[C@H](c1ccc(Cl)cc1)C2 ZINC000040753889 563106264 /nfs/dbraw/zinc/10/62/64/563106264.db2.gz FLLLBCDDNIMNCZ-SCEDHHNCSA-N 1 0 443.418 5.768 1 0 IKAFRO CC(C)[NH+](CCOc1ccc(N(C)C(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1)C(C)C ZINC000040762859 563106334 /nfs/dbraw/zinc/10/63/34/563106334.db2.gz CUMWUOMLVIRHMI-UHFFFAOYSA-N 1 0 442.603 6.032 1 0 IKAFRO Cc1ccc(N2CC[C@@H](c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC[NH+]1CCCCC1 ZINC000040762449 563106341 /nfs/dbraw/zinc/10/63/41/563106341.db2.gz WAISWJFIOBYKSS-FQEVSTJZSA-N 1 0 447.406 5.687 1 0 IKAFRO O=C(Nc1cccc(OCc2ccc(-c3cc(F)c(F)c(F)c3)cc2)c1)C1CC[NH2+]CC1 ZINC000040846421 563107519 /nfs/dbraw/zinc/10/75/19/563107519.db2.gz WWBLOTRLOUITOT-UHFFFAOYSA-N 1 0 440.465 5.288 1 0 IKAFRO COC(=O)C(=Cc1ccc(-c2nc3cc(C(=[NH2+])NC(C)C)ccc3[nH]2)s1)c1ccccc1 ZINC000040865617 563108708 /nfs/dbraw/zinc/10/87/08/563108708.db2.gz UFPWKIOBGAGEGS-XMHGGMMESA-N 1 0 444.560 5.328 1 0 IKAFRO COC(=O)c1cc2oc(-c3nc4cc(C(=[NH2+])NC(C)C)ccc4[nH]3)cc2c2ccccc12 ZINC000040865619 563108710 /nfs/dbraw/zinc/10/87/10/563108710.db2.gz AOKHGBYFQAEJGX-UHFFFAOYSA-N 1 0 426.476 5.239 1 0 IKAFRO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H]([NH2+]CCN)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040867151 563108934 /nfs/dbraw/zinc/10/89/34/563108934.db2.gz OSEGKKXKKFOBIS-AXYOXNHISA-N 1 0 428.749 6.945 1 0 IKAFRO Oc1ccc(CCCN2CC[NH+](CCCCn3c4ccccc4c4ccccc43)CC2)cc1 ZINC000040867149 563108966 /nfs/dbraw/zinc/10/89/66/563108966.db2.gz UBOAAZLIZFWMOD-UHFFFAOYSA-N 1 0 441.619 5.531 1 0 IKAFRO CN(C)c1ccc(-c2cc(-c3ccc(N)cc3)[s+]c(-c3ccc(N(C)C)cc3)c2)cc1 ZINC000040872868 563109093 /nfs/dbraw/zinc/10/90/93/563109093.db2.gz MNQSTMUPBPGKSN-UHFFFAOYSA-N 1 0 426.609 6.744 1 0 IKAFRO CC[NH+](CC)CCNc1nc2c(nc3ccccc3c2Nc2ccc(Cl)cc2)s1 ZINC000040875837 563109433 /nfs/dbraw/zinc/10/94/33/563109433.db2.gz HZMZEGKLJDRJKX-UHFFFAOYSA-N 1 0 425.989 5.995 1 0 IKAFRO CC[NH+](CC)CCCNc1nc2c(nc3ccccc3c2Nc2ccc(Cl)cc2)s1 ZINC000040880335 563109776 /nfs/dbraw/zinc/10/97/76/563109776.db2.gz OWQLPJWZICMUEJ-UHFFFAOYSA-N 1 0 440.016 6.385 1 0 IKAFRO Oc1ccc(C2=C(c3ccc(OCC[NH+]4CCCC4)cc3)c3ccc(O)cc3OCC2)cc1 ZINC000040894863 563110337 /nfs/dbraw/zinc/11/03/37/563110337.db2.gz ZSOQJLDYHKQACD-UHFFFAOYSA-N 1 0 443.543 5.314 1 0 IKAFRO CNC(=O)c1cc(Oc2ccc3c(c2)[nH+]c(Nc2ccc(C(C)(C)C)cc2)n3C)ccn1 ZINC000040898334 563110752 /nfs/dbraw/zinc/11/07/52/563110752.db2.gz BFYVTUFBMUDKGI-UHFFFAOYSA-N 1 0 429.524 5.161 1 0 IKAFRO Fc1cc(Cl)ccc1CN1CCC([NH2+]CCC(c2ccccc2)c2ccccc2)CC1 ZINC000040900320 563110950 /nfs/dbraw/zinc/11/09/50/563110950.db2.gz DPEPTMJCOMLASO-UHFFFAOYSA-N 1 0 437.002 6.255 1 0 IKAFRO CC1([NH+]2CCC(n3c4ccccc4nc3-c3cc4ccccc4o3)CC2)CCCCCCC1 ZINC000040934326 563112451 /nfs/dbraw/zinc/11/24/51/563112451.db2.gz AGSZYJIDXUVIHA-UHFFFAOYSA-N 1 0 441.619 7.589 1 0 IKAFRO C[NH+]1CCN(c2cccc3[nH]c(-c4n[nH]c5cc(-c6ccc7[nH]ccc7c6)ccc54)nc32)CC1 ZINC000040935110 563112582 /nfs/dbraw/zinc/11/25/82/563112582.db2.gz RNEFKROUXLVXSI-UHFFFAOYSA-N 1 0 447.546 5.006 1 0 IKAFRO CC(C)(C)c1ccc(-c2nc3c(cccc3N3CC[NH+](Cc4ccsc4)CC3)[nH]2)cc1 ZINC000040954836 563114473 /nfs/dbraw/zinc/11/44/73/563114473.db2.gz VOGFTDCBTQHVEZ-UHFFFAOYSA-N 1 0 430.621 5.911 1 0 IKAFRO c1ccc(CCc2cc(NCc3ccccc3)nc(NCc3cccc4ccccc43)[nH+]2)cc1 ZINC000040954658 563114500 /nfs/dbraw/zinc/11/45/00/563114500.db2.gz KEONUTZWDPBRON-UHFFFAOYSA-N 1 0 444.582 6.639 1 0 IKAFRO O=C(c1ccc(F)cc1)C1CC[NH+](C[C@@H]2Cc3oc(-c4ccccc4)cc3C(=O)C2)CC1 ZINC000040954907 563114567 /nfs/dbraw/zinc/11/45/67/563114567.db2.gz KUGRYKPJVWPSLO-SFHVURJKSA-N 1 0 431.507 5.426 1 0 IKAFRO C[N@H+](CCCCCCCOc1ccc(-c2cc3ccccc3o2)cc1)Cc1ccccc1 ZINC000040976823 563115448 /nfs/dbraw/zinc/11/54/48/563115448.db2.gz NLIRDIJPNPPVES-UHFFFAOYSA-N 1 0 427.588 7.561 1 0 IKAFRO CC(C)NC(=[NH2+])c1ccc2oc(-c3ccc(OCCCCOc4ccccc4)cc3)cc2c1 ZINC000043013101 563116631 /nfs/dbraw/zinc/11/66/31/563116631.db2.gz MVBYHSAJNNVMCS-UHFFFAOYSA-N 1 0 442.559 6.661 1 0 IKAFRO C[N@H+](Cc1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000043023903 563117378 /nfs/dbraw/zinc/11/73/78/563117378.db2.gz QBUBIPIOMZYFEI-UHFFFAOYSA-N 1 0 428.555 5.325 1 0 IKAFRO CC(C)NC(=[NH2+])c1ccc2cc(-c3cccc(OCCCOc4ccccc4)c3)oc2c1 ZINC000043064665 563117804 /nfs/dbraw/zinc/11/78/04/563117804.db2.gz CZCHSMAIBUWWTO-UHFFFAOYSA-N 1 0 428.532 6.271 1 0 IKAFRO C[N@H+](CCc1ccccc1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000043073113 563118161 /nfs/dbraw/zinc/11/81/61/563118161.db2.gz VKVAJQSZVWNRMB-UHFFFAOYSA-N 1 0 442.582 5.367 1 0 IKAFRO C[NH2+]CCCOc1c(C)cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc1C ZINC000043132233 563119078 /nfs/dbraw/zinc/11/90/78/563119078.db2.gz HIZAJVDPLRKQJL-NFBKMPQASA-N 1 0 425.638 5.773 1 0 IKAFRO O=C(NCc1cccc(Cl)c1)c1ccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000045168695 563122653 /nfs/dbraw/zinc/12/26/53/563122653.db2.gz IJCINOKBKRPLHQ-UHFFFAOYSA-N 1 0 448.010 5.024 1 0 IKAFRO CN1CCC[N@H+](Cc2cccc(-c3ccc(NC(=O)c4cccc(Cl)c4)cc3)c2)CC1 ZINC000045169032 563122663 /nfs/dbraw/zinc/12/26/63/563122663.db2.gz JXMDDINXWROMJQ-UHFFFAOYSA-N 1 0 433.983 5.397 1 0 IKAFRO Cc1cccc(NC(=O)c2ccc(C(=O)NC3CC[NH+](CC4CCCCC4)CC3)cc2)c1 ZINC000045186668 563122784 /nfs/dbraw/zinc/12/27/84/563122784.db2.gz XQVXCQXCGYWQBT-UHFFFAOYSA-N 1 0 433.596 5.022 1 0 IKAFRO C[C@H](Cc1ccc(-c2nc3ccccc3[nH]2)cc1)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000045187646 563122871 /nfs/dbraw/zinc/12/28/71/563122871.db2.gz BYNSWCDLIMZIJX-WAIKUNEKSA-N 1 0 439.481 5.503 1 0 IKAFRO COc1ccc(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1CN1CC[NH+](C)CC1 ZINC000045187394 563122902 /nfs/dbraw/zinc/12/29/02/563122902.db2.gz FJHGFFBYNLRRMD-UHFFFAOYSA-N 1 0 449.982 5.015 1 0 IKAFRO CC(C)CC[N@@H+]1CCCN(Cc2cccc(NC(=O)c3ccc(Cl)c(Cl)c3)c2)CC1 ZINC000045187839 563122977 /nfs/dbraw/zinc/12/29/77/563122977.db2.gz JDVFVTPWSJIPLW-UHFFFAOYSA-N 1 0 448.438 5.800 1 0 IKAFRO CCc1ccc(C[N@@H+]2CCCC[C@H](NC(=O)c3cc(-c4ccccc4F)cs3)C2)cc1 ZINC000045188167 563122989 /nfs/dbraw/zinc/12/29/89/563122989.db2.gz PFYMINPRRIGVTI-QFIPXVFZSA-N 1 0 436.596 5.901 1 0 IKAFRO O=C(Nc1ccc(CC[NH2+]Cc2ccccc2)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000045188854 563123071 /nfs/dbraw/zinc/12/30/71/563123071.db2.gz YBZPTVWSZMGACR-UHFFFAOYSA-N 1 0 429.442 5.562 1 0 IKAFRO CCc1cccc(NC(=O)c2ccc(CN3CCC[N@H+](CC4CCCCC4)CC3)cc2)c1 ZINC000045189516 563123215 /nfs/dbraw/zinc/12/32/15/563123215.db2.gz QOCFFLRRUHAFNZ-UHFFFAOYSA-N 1 0 433.640 5.589 1 0 IKAFRO Cc1ccc(NC(=O)c2ccc3ncccc3c2)cc1O[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000045190035 563123367 /nfs/dbraw/zinc/12/33/67/563123367.db2.gz QECZAEZKWFZJRH-QHCPKHFHSA-N 1 0 443.572 5.510 1 0 IKAFRO CC(C)COc1ccc(Cl)cc1Cc1nc(-c2nc3cc(C[NH+](C)C)ccc3[nH]2)co1 ZINC000045190811 563123652 /nfs/dbraw/zinc/12/36/52/563123652.db2.gz XBFPVGAOQWSKQC-UHFFFAOYSA-N 1 0 438.959 5.559 1 0 IKAFRO COc1cc(NC(=O)c2ccc3oc4ccccc4c3c2)ccc1OCC[NH+]1CCCCC1 ZINC000045193158 563123912 /nfs/dbraw/zinc/12/39/12/563123912.db2.gz LOOPWRYIWZNCEV-UHFFFAOYSA-N 1 0 444.531 5.712 1 0 IKAFRO CN(C)c1ccc(-c2csc(C(=O)N[C@@H]3CCCC[N@H+](CCC(C)(C)C)C3)c2)cc1 ZINC000045193220 563123991 /nfs/dbraw/zinc/12/39/91/563123991.db2.gz PDUXKLQSBSEYON-OAQYLSRUSA-N 1 0 427.658 5.502 1 0 IKAFRO COc1ccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)s3)cc2)cc1 ZINC000045192982 563123998 /nfs/dbraw/zinc/12/39/98/563123998.db2.gz KZJDHMKSXZZQFH-UHFFFAOYSA-N 1 0 439.584 6.565 1 0 IKAFRO COc1cccc(CC[NH2+][C@@H](C)Cc2ccc(OCCCCOc3ccccc3)cc2)c1 ZINC000045194322 563124157 /nfs/dbraw/zinc/12/41/57/563124157.db2.gz PBAYAWDNCUAJQP-QHCPKHFHSA-N 1 0 433.592 5.697 1 0 IKAFRO Cc1cc2nc(-c3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3)[nH]c2cc1C ZINC000045194122 563124163 /nfs/dbraw/zinc/12/41/63/563124163.db2.gz XFZZRXIRCQMWRJ-UHFFFAOYSA-N 1 0 438.575 5.241 1 0 IKAFRO Cc1cccc(C[NH+]2CCC(Oc3ccc(NC(=O)c4cccs4)cc3Cl)CC2)n1 ZINC000045196127 563124573 /nfs/dbraw/zinc/12/45/73/563124573.db2.gz YNVUYSMOFAQXMW-UHFFFAOYSA-N 1 0 441.984 5.401 1 0 IKAFRO O=C1Nc2cccc3c2[C@@]1(CCCC[NH+]1CCC(c2cc4ccncc4[nH]2)CC1)CCC3 ZINC000045201318 563124660 /nfs/dbraw/zinc/12/46/60/563124660.db2.gz JNMSVQKCNBLZIL-HHHXNRCGSA-N 1 0 428.580 5.139 1 0 IKAFRO Cc1cccc2[nH]c(-c3ccc(-c4cccc(C(=O)NCC[NH+]5CCCC5)c4)s3)nc21 ZINC000045202782 563125000 /nfs/dbraw/zinc/12/50/00/563125000.db2.gz VEZYZCURZOQWOQ-UHFFFAOYSA-N 1 0 430.577 5.092 1 0 IKAFRO CC(C)c1ccc(NC(=O)c2ccc(C(=O)N[C@H]3CC[N@H+](Cc4ccsc4)C3)cc2)cc1 ZINC000045202530 563125089 /nfs/dbraw/zinc/12/50/89/563125089.db2.gz MTIBQKRTTWKTAA-DEOSSOPVSA-N 1 0 447.604 5.128 1 0 IKAFRO O=C(Nc1ccc(Cl)cc1)c1ccc(CN2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000045202904 563125181 /nfs/dbraw/zinc/12/51/81/563125181.db2.gz ASSPHNQULKOSIF-UHFFFAOYSA-N 1 0 433.983 5.300 1 0 IKAFRO CC(C)C[N@@H+]1CCCN(Cc2cccc(NC(=O)c3ccc(Cl)c(Cl)c3)c2)CC1 ZINC000045227342 563125529 /nfs/dbraw/zinc/12/55/29/563125529.db2.gz BKZOXEZFXYERPU-UHFFFAOYSA-N 1 0 434.411 5.409 1 0 IKAFRO O=C(NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1)Nc1cccc(Cl)c1 ZINC000045228312 563125754 /nfs/dbraw/zinc/12/57/54/563125754.db2.gz XYUQBMMQTBGAIN-UHFFFAOYSA-N 1 0 439.003 5.993 1 0 IKAFRO C[C@H](Cc1ccc(NC(=O)CCCc2ccccc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000045230386 563126064 /nfs/dbraw/zinc/12/60/64/563126064.db2.gz URFSWLUPRDOCDR-OAQYLSRUSA-N 1 0 435.011 6.065 1 0 IKAFRO C[C@@H](Cc1ccc(NC(=O)CCCc2ccccc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000045230382 563126113 /nfs/dbraw/zinc/12/61/13/563126113.db2.gz URFSWLUPRDOCDR-NRFANRHFSA-N 1 0 435.011 6.065 1 0 IKAFRO C[NH+](C)CC[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1)c1ccc2ccccc2c1 ZINC000045285008 563128167 /nfs/dbraw/zinc/12/81/67/563128167.db2.gz BWYFLBGAWSTHKC-HHHXNRCGSA-N 1 0 442.990 6.583 1 0 IKAFRO COc1ccc(-c2cccc(C(=O)N[C@@H](CC[NH+](C)C)c3ccc4ccccc4c3)c2)cc1 ZINC000045286407 563128337 /nfs/dbraw/zinc/12/83/37/563128337.db2.gz BCZOKJKWCKRXQW-NDEPHWFRSA-N 1 0 438.571 5.938 1 0 IKAFRO O=C(NCc1ccco1)c1ccc(OC2CC[NH+](CC3CCCCC3)CC2)c(Cl)c1 ZINC000045302499 563129471 /nfs/dbraw/zinc/12/94/71/563129471.db2.gz JOHVOHODILZOIM-UHFFFAOYSA-N 1 0 430.976 5.287 1 0 IKAFRO COc1cc(NC(=O)/C=C/c2cc3ccccc3n2C)ccc1OCC[NH+](C(C)C)C(C)C ZINC000045302406 563129517 /nfs/dbraw/zinc/12/95/17/563129517.db2.gz PNHQQSJDFXOJGM-WYMLVPIESA-N 1 0 449.595 5.336 1 0 IKAFRO COc1cc(-c2[nH]c(-c3ccc(OCC[NH+](C)C)cc3)cc2-c2ccncc2)ccc1Cl ZINC000045302704 563129541 /nfs/dbraw/zinc/12/95/41/563129541.db2.gz IUFZLFSGTTVICA-UHFFFAOYSA-N 1 0 447.966 6.013 1 0 IKAFRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(-c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000045302858 563129611 /nfs/dbraw/zinc/12/96/11/563129611.db2.gz VQJMTESEZFGSOB-UHFFFAOYSA-N 1 0 444.966 5.278 1 0 IKAFRO COc1ccc(N(c2nc(-c3cc(Cl)ccc3Cl)cs2)C2CC[NH2+]CC2)cc1 ZINC000045302817 563129638 /nfs/dbraw/zinc/12/96/38/563129638.db2.gz WXACNUOKCQOXIN-UHFFFAOYSA-N 1 0 434.392 6.016 1 0 IKAFRO C[C@@H](Cc1ccc(OCCCCOc2ccccc2)cc1)[NH2+]CCc1ccccc1Cl ZINC000045303108 563129715 /nfs/dbraw/zinc/12/97/15/563129715.db2.gz SPQGIUBGGFBSIE-QFIPXVFZSA-N 1 0 438.011 6.341 1 0 IKAFRO C[NH+](C)CC[C@H](NC(=O)c1cccc(-c2ccc(Cl)cc2)c1)c1ccc(Cl)cc1 ZINC000045315542 563129789 /nfs/dbraw/zinc/12/97/89/563129789.db2.gz WCSDXPHNCDOKDM-QHCPKHFHSA-N 1 0 427.375 6.083 1 0 IKAFRO O=C(Nc1ccc(OC2CC[NH+](Cc3ccc(F)cc3)CC2)c(Cl)c1)c1ccoc1 ZINC000045315434 563129793 /nfs/dbraw/zinc/12/97/93/563129793.db2.gz DVJKJLNCGGPXRM-UHFFFAOYSA-N 1 0 428.891 5.368 1 0 IKAFRO C[NH+](C)CC[C@@H](NC(=O)c1cccc(-c2ccc(Cl)cc2)c1)c1ccc(Cl)cc1 ZINC000045315546 563129852 /nfs/dbraw/zinc/12/98/52/563129852.db2.gz WCSDXPHNCDOKDM-HSZRJFAPSA-N 1 0 427.375 6.083 1 0 IKAFRO COc1ccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)cc3)cc2)cc1 ZINC000045316841 563129943 /nfs/dbraw/zinc/12/99/43/563129943.db2.gz OMCHWOSXPPVORE-UHFFFAOYSA-N 1 0 433.555 6.504 1 0 IKAFRO CC[C@H]1C[N@H+](C/C=C/c2ccc(OC)cc2)CC[C@H]1CCCc1ccnc2ccc(O)cc12 ZINC000045322430 563130402 /nfs/dbraw/zinc/13/04/02/563130402.db2.gz OOMLBWKIHQDWDY-AQQVHWGDSA-N 1 0 444.619 6.333 1 0 IKAFRO Fc1cc(Cl)ccc1Nc1ccnc2cc(-c3ccc(C[NH+]4CCCCC4)o3)ccc21 ZINC000045322625 563130549 /nfs/dbraw/zinc/13/05/49/563130549.db2.gz OJZUXUKGQZQECF-UHFFFAOYSA-N 1 0 435.930 7.017 1 0 IKAFRO COc1ccc(C[NH2+]Cc2cccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)c2)cc1 ZINC000045323353 563130695 /nfs/dbraw/zinc/13/06/95/563130695.db2.gz LJJRWQDEWFMPJX-UHFFFAOYSA-N 1 0 437.518 6.334 1 0 IKAFRO CN(C)c1ccc(-c2csc(C(=O)NC[C@@H]3CC[N@H+](CC4CCCCC4)C3)c2)cc1 ZINC000045323712 563130754 /nfs/dbraw/zinc/13/07/54/563130754.db2.gz CUEDTIKCXGLZCO-FQEVSTJZSA-N 1 0 425.642 5.113 1 0 IKAFRO CN1CCC[N@H+](Cc2ccc(-c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)cc2)CC1 ZINC000045325128 563130998 /nfs/dbraw/zinc/13/09/98/563130998.db2.gz BJSWKKKPKGNCIG-UHFFFAOYSA-N 1 0 433.983 5.397 1 0 IKAFRO COc1ccc(-c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc1C[NH2+]C(C)C ZINC000045335895 563131382 /nfs/dbraw/zinc/13/13/82/563131382.db2.gz GQRHRCDZCHQALQ-UHFFFAOYSA-N 1 0 426.919 5.905 1 0 IKAFRO O=C(Nc1ccc(CC[NH2+]CCCc2ccccc2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000045336799 563131488 /nfs/dbraw/zinc/13/14/88/563131488.db2.gz NLHLEJYKFLLYTJ-UHFFFAOYSA-N 1 0 442.390 6.402 1 0 IKAFRO CC(C)(C[NH2+]Cc1ccccc1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c(O)c2)[nH]1 ZINC000045337309 563131587 /nfs/dbraw/zinc/13/15/87/563131587.db2.gz PBMHQDDPVNKBPW-UHFFFAOYSA-N 1 0 432.955 5.565 1 0 IKAFRO O=C(NCCCC[N@H+]1CC[C@@H]2c3cccc(O)c3CC[C@@H]21)c1ccc(-c2ccccc2)cc1 ZINC000045338625 563131746 /nfs/dbraw/zinc/13/17/46/563131746.db2.gz CYBHGHQYVGGXRB-VPUSJEBWSA-N 1 0 440.587 5.374 1 0 IKAFRO OC1(c2ccc(Cl)cc2)CC[NH+](CCC[C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000045357727 563132826 /nfs/dbraw/zinc/13/28/26/563132826.db2.gz WPYRUELVLZTLOD-SANMLTNESA-N 1 0 437.986 6.375 1 0 IKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000045366727 563133075 /nfs/dbraw/zinc/13/30/75/563133075.db2.gz AHDMCPDJZBURTG-QGZVFWFLSA-N 1 0 436.440 6.208 1 0 IKAFRO NC(=[NH2+])c1cc2c(cccc2O[C@H](COC(=O)Nc2ccccc2F)c2ccccc2)s1 ZINC000045384263 563133701 /nfs/dbraw/zinc/13/37/01/563133701.db2.gz JBMZFGZQZPOAGJ-HXUWFJFHSA-N 1 0 449.507 5.693 1 0 IKAFRO O=C(c1ccc(-c2ccc(Oc3ccccc3)cc2)o1)N1CC[NH+](C2CCCCC2)CC1 ZINC000045497959 563134617 /nfs/dbraw/zinc/13/46/17/563134617.db2.gz KFDXUCLOXHOBAL-UHFFFAOYSA-N 1 0 430.548 5.829 1 0 IKAFRO CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC[N@H+](C2CCCC2)CC3)cc1 ZINC000049013715 563135285 /nfs/dbraw/zinc/13/52/85/563135285.db2.gz XKLUUIKSEPOBCP-UHFFFAOYSA-N 1 0 426.626 5.173 1 0 IKAFRO CC(C)C[N@@H+]1CCC[C@H](Cn2c3ccccc3nc2CN(C)[C@H]2CCCc3cccnc32)C1 ZINC000049112718 563138369 /nfs/dbraw/zinc/13/83/69/563138369.db2.gz SUVTXSXXZWCMHL-NVQXNPDNSA-N 1 0 445.655 5.309 1 0 IKAFRO C[C@@H]1[C@@H]2[NH2+]C[C@@H](C)C[C@H]2O[C@]12CC[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@]13C[C@]32C ZINC000049872109 563140506 /nfs/dbraw/zinc/14/05/06/563140506.db2.gz QMNVCSWLZHZJLT-PZOXALQNSA-N 1 0 425.657 5.082 1 0 IKAFRO Clc1ccc2c(c1)CC=C(c1ccccc1)C(N1CC[NH+](Cc3ccccc3)CC1)=N2 ZINC000053059306 563140905 /nfs/dbraw/zinc/14/09/05/563140905.db2.gz RSSMGSRSMMJJFG-UHFFFAOYSA-N 1 0 427.979 5.828 1 0 IKAFRO Clc1ccc(C2=CCc3ccccc3N=C2N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000053070703 563141060 /nfs/dbraw/zinc/14/10/60/563141060.db2.gz AFYMGUZZNYMVIP-UHFFFAOYSA-N 1 0 427.979 5.828 1 0 IKAFRO CCCN1C[C@@H](C[N@H+]2CC=C(c3c[nH]c4ccc(F)cc43)CC2)Oc2c(OC)cccc21 ZINC000053173484 563141134 /nfs/dbraw/zinc/14/11/34/563141134.db2.gz KBGIAHKLLKPEIS-HXUWFJFHSA-N 1 0 435.543 5.082 1 0 IKAFRO O=c1c(C[NH2+][C@@H](CO)CC2CCCCC2)coc2cccc(OCC3CCCCC3)c12 ZINC000053298309 563141980 /nfs/dbraw/zinc/14/19/80/563141980.db2.gz ZHMNEHUEHZCUSB-JOCHJYFZSA-N 1 0 427.585 5.173 1 0 IKAFRO CCc1cc2cc([C@H](CC[NH+]3CCCCC3)Cc3ccc4c(c3)OCCO4)ccc2[nH]c1=O ZINC000053313717 563142126 /nfs/dbraw/zinc/14/21/26/563142126.db2.gz OUKAFGPUQWPFJU-HSZRJFAPSA-N 1 0 446.591 5.064 1 0 IKAFRO O=C(c1ccc(OC2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)cc1)N1CCCCC1 ZINC000055212053 563142492 /nfs/dbraw/zinc/14/24/92/563142492.db2.gz HYOJVCBTNSJRHH-UHFFFAOYSA-N 1 0 446.513 5.375 3 0 IKAFRO Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@H]2CO[C@H](c2ccccc2)c2ccc(Cl)cc2)[N@@H+]3C)cc1 ZINC000058563638 563144400 /nfs/dbraw/zinc/14/44/00/563144400.db2.gz SWUYKZCLBQJENR-MYIRVZICSA-N 1 0 446.034 7.021 1 0 IKAFRO Cc1c(C[NH+]2CCCC2)cc(-c2ccc(N)cc2)n1Nc1ccnc2cc(Cl)ccc21 ZINC000058592326 563145617 /nfs/dbraw/zinc/14/56/17/563145617.db2.gz JJERQAMHSQATHD-UHFFFAOYSA-N 1 0 431.971 5.140 1 0 IKAFRO C[C@@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(NC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)C1 ZINC000059260210 563146415 /nfs/dbraw/zinc/14/64/15/563146415.db2.gz GURFDWVYTCEBLB-QVKFZJNVSA-N 1 0 433.383 5.700 1 0 IKAFRO C[C@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(NC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)C1 ZINC000059260212 563146429 /nfs/dbraw/zinc/14/64/29/563146429.db2.gz GURFDWVYTCEBLB-YCRPNKLZSA-N 1 0 433.383 5.700 1 0 IKAFRO CC[C@H]1C[N@@H+]2CC[C@@H]1C[C@H]2[C@H](O)c1cc(N2CCCC(C)(C)C2)nc2ccc(OC)cc21 ZINC000059696272 563146629 /nfs/dbraw/zinc/14/66/29/563146629.db2.gz QPZZSPOFTCOPQR-QLFMASBFSA-N 1 0 437.628 5.024 1 0 IKAFRO c1ccc([C@@H]2[C@H]3C[N@@H+](Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cc1 ZINC000059830573 563146711 /nfs/dbraw/zinc/14/67/11/563146711.db2.gz NUJHFKHMMFVVEU-KOBWGQNTSA-N 1 0 443.594 6.165 3 0 IKAFRO Cc1cccnc1[C@@H](NC(=O)C1CC[NH+](CCCc2ccccc2)CC1)c1ccc(F)cc1 ZINC000061896234 563147350 /nfs/dbraw/zinc/14/73/50/563147350.db2.gz IUOLIQTVGUZOOK-MHZLTWQESA-N 1 0 445.582 5.080 3 0 IKAFRO CCCCCC[N@@H+]1C[C@H](n2cc(-c3ccc(F)cc3)nn2)[C@@H](O)C[C@@H]1c1ccc(C)cc1 ZINC000061923677 563149578 /nfs/dbraw/zinc/14/95/78/563149578.db2.gz RXXZELVVPMLFFB-ZNZIZOMTSA-N 1 0 436.575 5.322 3 0 IKAFRO Cc1ccc([C@H]2C[C@@H](O)[C@H](n3cc(-c4ccc(F)cc4)nn3)C[N@@H+]2Cc2cccs2)cc1 ZINC000061923799 563149674 /nfs/dbraw/zinc/14/96/74/563149674.db2.gz MOOQRFHZJWKCHK-UBFVSLLYSA-N 1 0 448.567 5.003 3 0 IKAFRO Cc1ccc([C@H]2C[C@H](n3cc(-c4ccc(F)cc4)nn3)[C@@H](O)C[N@@H+]2CC2CCCCC2)cc1 ZINC000061923848 563149682 /nfs/dbraw/zinc/14/96/82/563149682.db2.gz OIGNBZIMZUYPRD-PVHODMMVSA-N 1 0 448.586 5.322 3 0 IKAFRO COc1ccc(C[C@H]([NH3+])c2csc(NC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000061927420 563150215 /nfs/dbraw/zinc/15/02/15/563150215.db2.gz JLZWGSJGQXOFSY-INIZCTEOSA-N 1 0 436.459 5.057 3 0 IKAFRO Clc1cccc(Cl)c1OCC[NH2+]CCOc1ccccc1OCc1ccccc1 ZINC000064448958 563153487 /nfs/dbraw/zinc/15/34/87/563153487.db2.gz PANUNJICXXHAIL-UHFFFAOYSA-N 1 0 432.347 5.620 1 0 IKAFRO O=C(Nc1ccc(Cl)cc1)c1cc2c(cccc2OCCC[NH2+]Cc2cccnc2)[nH]1 ZINC000064503769 563153806 /nfs/dbraw/zinc/15/38/06/563153806.db2.gz NBOWZNNWSZQKHN-UHFFFAOYSA-N 1 0 434.927 5.027 1 0 IKAFRO COc1ccc2cc(C[NH2+]CCc3ccc(Br)cc3)c(-c3ccncc3)nc2c1 ZINC000064540284 563155238 /nfs/dbraw/zinc/15/52/38/563155238.db2.gz TUGHCMGSFGUECE-UHFFFAOYSA-N 1 0 448.364 5.400 1 0 IKAFRO Clc1ccc(CN[C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000066065888 563156870 /nfs/dbraw/zinc/15/68/70/563156870.db2.gz AHUOBESNXKKXAS-PMACEKPBSA-N 1 0 432.222 6.491 1 0 IKAFRO Clc1ccc(CN[C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000066065887 563156890 /nfs/dbraw/zinc/15/68/90/563156890.db2.gz AHUOBESNXKKXAS-BGYRXZFFSA-N 1 0 432.222 6.491 1 0 IKAFRO Fc1ccc(-c2ncn([C@@H]3CC[N@H+](Cc4ccccc4)C3)c2-c2ccc3n[nH]cc3c2)cc1 ZINC000066073647 563157205 /nfs/dbraw/zinc/15/72/05/563157205.db2.gz PJNPAVYZHHPABL-XMMPIXPASA-N 1 0 437.522 5.680 1 0 IKAFRO FC(F)(F)c1ccc(CN[C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000066073917 563157305 /nfs/dbraw/zinc/15/73/05/563157305.db2.gz FKZGPBWOYWVDOZ-PMACEKPBSA-N 1 0 430.436 5.915 1 0 IKAFRO COc1cc(C)c2c(n1)c(N[C@H](C)CCC[NH3+])cc(OC)c2-c1ccc(C(F)(F)F)cc1 ZINC000066100872 563158304 /nfs/dbraw/zinc/15/83/04/563158304.db2.gz CQGCXPDDBFPBNO-OAHLLOKOSA-N 1 0 447.501 5.786 1 0 IKAFRO OCC1([NH+]2CCC(n3c4ccccc4nc3-c3ccc(F)c(Cl)c3)CC2)CCCCC1 ZINC000066101144 563158307 /nfs/dbraw/zinc/15/83/07/563158307.db2.gz WCBRBHGUYVHPSC-UHFFFAOYSA-N 1 0 441.978 5.828 1 0 IKAFRO COc1cc(COc2ccc(C(=O)C3CC3)cc2)ccc1OCC[NH+](C(C)C)C(C)C ZINC000066258587 563160297 /nfs/dbraw/zinc/16/02/97/563160297.db2.gz JZOWIVJLRVGHRQ-UHFFFAOYSA-N 1 0 425.569 5.365 1 0 IKAFRO C[C@@H](SC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N1c2ccccc2Sc2ccccc21 ZINC000071295430 563161578 /nfs/dbraw/zinc/16/15/78/563161578.db2.gz OIHWNHNKECXCTR-HSALFYBXSA-N 1 0 438.662 6.202 1 0 IKAFRO C[C@H](SC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N1c2ccccc2Sc2ccccc21 ZINC000071295429 563161594 /nfs/dbraw/zinc/16/15/94/563161594.db2.gz OIHWNHNKECXCTR-SLFFLAALSA-N 1 0 438.662 6.202 1 0 IKAFRO NC(=[NH2+])C1(C(=O)Nc2ccc(CCCCCCCCOCC3CCCCC3)cc2)CC1 ZINC000071295021 563161632 /nfs/dbraw/zinc/16/16/32/563161632.db2.gz FCMKMNZBJLFFJM-UHFFFAOYSA-N 1 0 427.633 5.821 1 0 IKAFRO CC(C)c1ccc(C=C2C[N@H+](C)CC3C2=NC(=S)N[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000071334406 563162560 /nfs/dbraw/zinc/16/25/60/563162560.db2.gz BUCKPVPECSLPLN-ZDGAQAAHSA-N 1 0 431.649 5.735 1 0 IKAFRO Cc1cnc(N2CCC([NH2+][C@H](c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)s1 ZINC000072101482 563162771 /nfs/dbraw/zinc/16/27/71/563162771.db2.gz OJTBCUWMSPJWOV-HXUWFJFHSA-N 1 0 432.515 5.213 1 0 IKAFRO CC(C)Oc1ccc([C@H]([NH2+]C2CCN(C(=O)Nc3ccccc3)CC2)c2cccnc2)cc1 ZINC000072102359 563162801 /nfs/dbraw/zinc/16/28/01/563162801.db2.gz DBDXGSSJPKYVCO-SANMLTNESA-N 1 0 444.579 5.244 1 0 IKAFRO CC(C)C[NH2+][C@H](CCc1ccccc1)c1nc(Cc2ccccc2)c(N2CCCCC2)o1 ZINC000072102456 563162829 /nfs/dbraw/zinc/16/28/29/563162829.db2.gz CJJCPPODYVROJQ-RUZDIDTESA-N 1 0 431.624 6.175 1 0 IKAFRO CC[NH+](CC)CC1=Cc2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1 ZINC000072114112 563163611 /nfs/dbraw/zinc/16/36/11/563163611.db2.gz RAERFBHNHNDJIP-UHFFFAOYSA-N 1 0 445.006 6.931 1 0 IKAFRO Fc1cc(Cl)ccc1[C@H]([NH2+]C1CCN(c2ccc(Cl)cc2)CC1)c1cccnc1 ZINC000072141212 563164603 /nfs/dbraw/zinc/16/46/03/563164603.db2.gz FPSXDXTVYXQEHB-HSZRJFAPSA-N 1 0 430.354 5.876 1 0 IKAFRO O[C@@H]1C[N@H+](CC2CCCCC2)[C@H](c2ccccc2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000072142524 563164786 /nfs/dbraw/zinc/16/47/86/563164786.db2.gz NVLOOEBBXPYQSB-KKUQBAQOSA-N 1 0 434.559 5.014 1 0 IKAFRO Nc1[nH+]ccc2c1ccn2-c1ccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000072177576 563166016 /nfs/dbraw/zinc/16/60/16/563166016.db2.gz KJEUKTAEEVFTNV-UHFFFAOYSA-N 1 0 430.817 5.532 1 0 IKAFRO CCN(Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072182101 563167321 /nfs/dbraw/zinc/16/73/21/563167321.db2.gz AGRBAIWRSFYYIK-QFIPXVFZSA-N 1 0 429.486 5.457 1 0 IKAFRO O=C(Nc1ccccc1)c1ccc(OCCC[NH+]2CCCC2)cc1OCc1ccccc1F ZINC000072183823 563167674 /nfs/dbraw/zinc/16/76/74/563167674.db2.gz VGLMPJVZYHYTNL-UHFFFAOYSA-N 1 0 448.538 5.522 1 0 IKAFRO CCN(Cc1coc(-c2ccc(Br)cc2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072184143 563167770 /nfs/dbraw/zinc/16/77/70/563167770.db2.gz VASKGEOBOYXLJS-QFIPXVFZSA-N 1 0 440.385 5.201 1 0 IKAFRO Fc1cccc(F)c1N1CCC([NH2+][C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072185774 563168101 /nfs/dbraw/zinc/16/81/01/563168101.db2.gz FQXVWMOFTODYHH-QFIPXVFZSA-N 1 0 447.451 5.727 1 0 IKAFRO CCCC[NH+](CCCC)C[C@@H](O)COc1ccc(F)cc1C(=O)CCc1ccccc1 ZINC000073170101 563169829 /nfs/dbraw/zinc/16/98/29/563169829.db2.gz CRQVVSWYBYPMBU-HSZRJFAPSA-N 1 0 429.576 5.283 1 0 IKAFRO OC1(c2ccc(Cl)cc2)C[C@H]2CC[C@@H](C1)[N@H+]2CCCCc1nc2ccccc2s1 ZINC000073199080 563170187 /nfs/dbraw/zinc/17/01/87/563170187.db2.gz SJEXSMOVRPPLBZ-VXMMSVGHSA-N 1 0 427.013 5.787 1 0 IKAFRO C[C@@H](c1ccc(-c2ccccc2)cc1)[C@H]([NH3+])C(=O)N[C@H](c1ccc(Cl)cc1)C(F)F ZINC000073223140 563170873 /nfs/dbraw/zinc/17/08/73/563170873.db2.gz DOKSCYFGEKEGCR-UZQPLGKSSA-N 1 0 428.910 5.560 1 0 IKAFRO C[C@@H](c1ccc(-c2ccccc2)cc1)[C@H]([NH3+])C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000073223580 563170876 /nfs/dbraw/zinc/17/08/76/563170876.db2.gz SYJKZXQWLHDTBT-UZQPLGKSSA-N 1 0 446.900 5.858 1 0 IKAFRO Cc1n[nH]c2ccc(-c3cncc(OC[C@H]([NH3+])Cc4ccc(Cl)c(Cl)c4)c3)cc12 ZINC000073336273 563172582 /nfs/dbraw/zinc/17/25/82/563172582.db2.gz CHTMRWQLNNRRFJ-QGZVFWFLSA-N 1 0 427.335 5.189 1 0 IKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2nccc(C)c2c1Oc1ccc(C(F)(F)F)cc1 ZINC000082150936 563173264 /nfs/dbraw/zinc/17/32/64/563173264.db2.gz VPUIXYNTJOAIDX-OAHLLOKOSA-N 1 0 433.474 5.902 1 0 IKAFRO CC[NH+](CC)CCC[C@@H](C)Nc1cc(N)nc2nc(-c3ccco3)c(-c3ccco3)nc12 ZINC000082155218 563173565 /nfs/dbraw/zinc/17/35/65/563173565.db2.gz FEAJAPFPAUYWIC-MRXNPFEDSA-N 1 0 434.544 5.049 1 0 IKAFRO CC(C)(C)C[N@@H+]1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1 ZINC000082155533 563173673 /nfs/dbraw/zinc/17/36/73/563173673.db2.gz MQTLYTFYVXHFAN-SNAWJCMRSA-N 1 0 428.580 6.074 1 0 IKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2nccc(C)c2c1Oc1ccccc1Br ZINC000082157216 563173786 /nfs/dbraw/zinc/17/37/86/563173786.db2.gz QWHSESLCNQNHOS-OAHLLOKOSA-N 1 0 444.373 5.646 1 0 IKAFRO O=C(Nc1ccc2c(c1)OCC(C[NH+]1CCCC1)=C2)c1ccc(-c2ccc(F)cc2)cc1 ZINC000084669967 563175117 /nfs/dbraw/zinc/17/51/17/563175117.db2.gz YIKZESIGFJDKFD-UHFFFAOYSA-N 1 0 428.507 5.617 1 0 IKAFRO COc1ccc(-c2ccc(C(=O)Nc3ccc4cc(C[NH+]5CCCC5)cnc4c3)cc2)cc1 ZINC000084670702 563175241 /nfs/dbraw/zinc/17/52/41/563175241.db2.gz SYWDDLDAYVZIIC-UHFFFAOYSA-N 1 0 437.543 5.759 1 0 IKAFRO Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc([C@@H](C)[NH2+]CC(C)(C)O)cnc21 ZINC000084671954 563175446 /nfs/dbraw/zinc/17/54/46/563175446.db2.gz MRIYVMHCGWNLAX-GOSISDBHSA-N 1 0 447.579 5.006 1 0 IKAFRO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](C[C@H](O)CSc1ccc(C)cc1)CC2 ZINC000084671923 563175461 /nfs/dbraw/zinc/17/54/61/563175461.db2.gz SPLBZGDAJILIPX-CUNXSJBXSA-N 1 0 449.616 5.113 1 0 IKAFRO CCCCC(=O)Nc1ccc(C(=O)Nc2ccc3cc(C[NH+]4CCCC4)cnc3c2C)cc1 ZINC000084687806 563175855 /nfs/dbraw/zinc/17/58/55/563175855.db2.gz FFGSJFHRDGBOBX-UHFFFAOYSA-N 1 0 444.579 5.520 1 0 IKAFRO Cc1c(NC(=O)CCCC(=O)c2ccc(F)cc2)ccc2cc(C[NH+]3CCCC3)cnc21 ZINC000084687807 563175863 /nfs/dbraw/zinc/17/58/63/563175863.db2.gz BVCRMRCQDWCOLS-UHFFFAOYSA-N 1 0 433.527 5.270 1 0 IKAFRO CCCCCC(=O)c1ccc(C(=O)Nc2ccc3cc(C[NH+]4CCCC4)cnc3c2C)cc1 ZINC000084687805 563175907 /nfs/dbraw/zinc/17/59/07/563175907.db2.gz NAJDZXWMBQOVKT-UHFFFAOYSA-N 1 0 443.591 6.154 1 0 IKAFRO Cc1ccccc1SC[C@H](O)C[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000084690816 563176518 /nfs/dbraw/zinc/17/65/18/563176518.db2.gz KVJLRXYMXBYASK-AREMUKBSSA-N 1 0 447.644 5.096 1 0 IKAFRO Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc([C@H](C)[NH+]3CCCC3)cnc21 ZINC000084705131 563176707 /nfs/dbraw/zinc/17/67/07/563176707.db2.gz DFWKNBVJNXPUBW-IBGZPJMESA-N 1 0 429.564 5.741 1 0 IKAFRO C[C@@H](c1ccccn1)[NH+]1CCC2(CC1)c1ccccc1N(c1cnc3ccccc3c1)C2=O ZINC000084706005 563176825 /nfs/dbraw/zinc/17/68/25/563176825.db2.gz OAICMHUBSGRQPL-FQEVSTJZSA-N 1 0 434.543 5.403 1 0 IKAFRO CCN(CC)C(=O)c1ccccc1-c1cc(-c2ccc(N(C)C)cc2)[s+]c(C(C)(C)C)c1 ZINC000084726807 563178226 /nfs/dbraw/zinc/17/82/26/563178226.db2.gz NQVLRCHFTOBMCG-UHFFFAOYSA-N 1 0 447.668 7.209 1 0 IKAFRO CC(C)(C)OC(=O)n1cc(C[NH+]2CCC3(CC2)OCCc2sccc23)c2ccccc21 ZINC000084741756 563179183 /nfs/dbraw/zinc/17/91/83/563179183.db2.gz ZZQOOARDLCVJFB-UHFFFAOYSA-N 1 0 438.593 5.550 1 0 IKAFRO O=C(Nc1ccc2cc(C[NH+]3CCCC3)cnc2c1)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000084758909 563179780 /nfs/dbraw/zinc/17/97/80/563179780.db2.gz WLBXFMNETGMZFI-UHFFFAOYSA-N 1 0 448.998 5.896 1 0 IKAFRO CC/C(=C(\c1ccc(O)cc1)c1ccc(OCC[NH2+]C)cc1)c1ccc([C@@H](C)CO)cc1 ZINC000084804546 563179844 /nfs/dbraw/zinc/17/98/44/563179844.db2.gz SKLQATVWFJCHAN-READERTPSA-N 1 0 431.576 5.455 1 0 IKAFRO COc1cc2nc(Nc3ccccc3)nc(NCCCCC[NH+]3CCCC3)c2cc1OC ZINC000095493489 563180647 /nfs/dbraw/zinc/18/06/47/563180647.db2.gz YTCJBJCYEIMBMX-UHFFFAOYSA-N 1 0 435.572 5.069 1 0 IKAFRO COc1ccc(-c2cc3c(s2)C2(CC[NH+](Cc4ccccc4)CC2)O[C@@H](OC)C3)cc1 ZINC000095556677 563181502 /nfs/dbraw/zinc/18/15/02/563181502.db2.gz GMHWPQAZYKINBV-XMMPIXPASA-N 1 0 435.589 5.460 1 0 IKAFRO COc1ccc(-c2cc3c(s2)C2(CC[NH+](Cc4ccccc4)CC2)O[C@H](OC)C3)cc1 ZINC000095556676 563181505 /nfs/dbraw/zinc/18/15/05/563181505.db2.gz GMHWPQAZYKINBV-DEOSSOPVSA-N 1 0 435.589 5.460 1 0 IKAFRO CC[NH+]1CCN(CCc2ccc([C@H](c3ccccc3)C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000095558170 563181754 /nfs/dbraw/zinc/18/17/54/563181754.db2.gz ULRNPMQYZHBUNR-ONWBCECJSA-N 1 0 442.691 6.215 1 0 IKAFRO CN1CC[NH+](CCc2ccc([C@H](c3ccccc3)C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000095557798 563181759 /nfs/dbraw/zinc/18/17/59/563181759.db2.gz LYYKTBPUPZEIDM-CTSDKZEDSA-N 1 0 428.664 5.825 1 0 IKAFRO Clc1ccc2c(c1)nccc2NCc1nc(-c2ccccc2)c(C[NH+]2CCCC2)s1 ZINC000095562054 563182581 /nfs/dbraw/zinc/18/25/81/563182581.db2.gz VEGMUPYOVNFZCP-UHFFFAOYSA-N 1 0 434.996 6.220 1 0 IKAFRO CCOC(=O)C1(c2ccccc2)CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000095564202 563183101 /nfs/dbraw/zinc/18/31/01/563183101.db2.gz CMWXNQGRYHAOPT-UHFFFAOYSA-N 1 0 427.588 5.806 1 0 IKAFRO CC(=O)c1ccccc1NC(=O)c1ccc(OCCCC[n+]2cccc3ccccc32)cc1 ZINC000095566222 563183499 /nfs/dbraw/zinc/18/34/99/563183499.db2.gz UUWHXLGPDZRROH-UHFFFAOYSA-O 1 0 439.535 5.441 1 0 IKAFRO OCc1ccc(/C(=C(\F)c2ccccc2)c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000095590235 563190002 /nfs/dbraw/zinc/19/00/02/563190002.db2.gz CVFYCQPDBSLRLR-BYYHNAKLSA-N 1 0 431.551 5.930 1 0 IKAFRO C[C@@H]1C[C@H]1c1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CC[NH+](C)CC2)n1 ZINC000095591625 563190372 /nfs/dbraw/zinc/19/03/72/563190372.db2.gz XYODCNMGJSSDON-IIBYNOLFSA-N 1 0 436.493 5.543 1 0 IKAFRO C[C@@H]1C[C@@H]1c1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CC[NH+](C)CC2)n1 ZINC000095591623 563190390 /nfs/dbraw/zinc/19/03/90/563190390.db2.gz XYODCNMGJSSDON-IERDGZPVSA-N 1 0 436.493 5.543 1 0 IKAFRO CC[NH+](CC)CC[C@H](C)COc1c(I)cc(Cl)c2cccnc21 ZINC000095595618 563191378 /nfs/dbraw/zinc/19/13/78/563191378.db2.gz LMXUQTMBNNWOFJ-ZDUSSCGKSA-N 1 0 446.760 5.240 1 0 IKAFRO CC(C)c1ccc(OCCC[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000095598634 563192237 /nfs/dbraw/zinc/19/22/37/563192237.db2.gz WHFHXMVSGNBDNY-UHFFFAOYSA-N 1 0 443.631 6.227 3 0 IKAFRO COc1ccc2c(c1)nc(-c1ccc(C)c(Cl)c1)n2-c1cc[nH+]c(NC2CCCCC2)c1 ZINC000095602277 563193156 /nfs/dbraw/zinc/19/31/56/563193156.db2.gz QZKPHMPRUAZGCF-UHFFFAOYSA-N 1 0 446.982 6.803 1 0 IKAFRO Cc1cccc(C)c1NC(=O)[C@@H](CCc1ccccc1)[NH+]1CCC(c2ccccc2)CC1 ZINC000095604286 563193706 /nfs/dbraw/zinc/19/37/06/563193706.db2.gz KZBZCHCQIRZEDO-HHHXNRCGSA-N 1 0 426.604 6.123 3 0 IKAFRO CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2ncc3ccoc3n2)=[NH+]1 ZINC000095604441 563193718 /nfs/dbraw/zinc/19/37/18/563193718.db2.gz QHGKBEUNVIGBBZ-NRFANRHFSA-N 1 0 430.939 5.531 1 0 IKAFRO C[NH+](C)Cc1ccc([C@H]2C[C@@H]2C(=O)Nc2nc3ccc(-c4cccnc4)cc3s2)cc1 ZINC000095921411 563195041 /nfs/dbraw/zinc/19/50/41/563195041.db2.gz PGABPPHMLFSKKA-RTWAWAEBSA-N 1 0 428.561 5.162 1 0 in-vitro IKAFRO C[NH+](C)Cc1ccccc1-c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12 ZINC000096168384 563195228 /nfs/dbraw/zinc/19/52/28/563195228.db2.gz AUBOEQOTVITPDS-UHFFFAOYSA-N 1 0 435.531 5.499 1 0 IKAFRO O[C@H]1CCC[N@H+](CCc2ccc(Nc3nc(-c4ccc5ccccc5c4)cs3)cc2)C1 ZINC000096273987 563196984 /nfs/dbraw/zinc/19/69/84/563196984.db2.gz CNRBVGMQUDYZPO-DEOSSOPVSA-N 1 0 429.589 5.706 1 0 IKAFRO Brc1ccccc1C[n+]1cnn(Cc2c3ccccc3oc2-c2ccccc2)c1 ZINC000096911278 563197875 /nfs/dbraw/zinc/19/78/75/563197875.db2.gz RVUDPVHFKOTDME-UHFFFAOYSA-N 1 0 445.340 5.443 1 0 IKAFRO Cc1cc(N2CC[C@H]([N@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000096929242 563198426 /nfs/dbraw/zinc/19/84/26/563198426.db2.gz LVSMVMIVTXOMHK-KKSFZXQISA-N 1 0 432.395 5.617 1 0 IKAFRO Cc1cc(N2CC[C@@H]([N@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccc(-c2ccncc2)cc1 ZINC000096929261 563198542 /nfs/dbraw/zinc/19/85/42/563198542.db2.gz GUICKVKRJDGKHK-HFZDXXHNSA-N 1 0 440.591 5.372 1 0 IKAFRO CC(C)Sc1nnc(-c2c(C[NH2+]CC3CC3)c3ccccc3n2C)n1-c1ccccc1 ZINC000096933339 563199047 /nfs/dbraw/zinc/19/90/47/563199047.db2.gz WYHOFYXWJXUQCV-UHFFFAOYSA-N 1 0 431.609 5.426 1 0 IKAFRO CN(C)c1cc[n+](Cc2ccc(CCc3ccc(COc4cccc(N)c4)cc3)cc2)cc1 ZINC000096938858 563199879 /nfs/dbraw/zinc/19/98/79/563199879.db2.gz MUXHBJMSGKDKJM-UHFFFAOYSA-N 1 0 438.595 5.035 1 0 IKAFRO COc1ccc(CSc2cc3ccccc3[n+](CCCCCC3CCCCC3)c2)cc1 ZINC000096939345 563199958 /nfs/dbraw/zinc/19/99/58/563199958.db2.gz DBSDPDHSHKQEQZ-UHFFFAOYSA-N 1 0 434.669 7.569 1 0 IKAFRO Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000096940129 563200218 /nfs/dbraw/zinc/20/02/18/563200218.db2.gz KUXWORKQNWWGEM-UHFFFAOYSA-N 1 0 438.571 5.491 1 0 IKAFRO CCCCC[C@H]1C[C@@H]2[C@@H]([NH2+]C)[C@@H]3C=C[C@@]45[C@H](O)C[C@]6(C)CCC[C@@](O)(C6)[C@@]4(C[C@@]25C1)C3 ZINC000085547522 291403411 /nfs/dbraw/zinc/40/34/11/291403411.db2.gz FSCFVKNEPGUHTF-GOEIRKFRSA-N 1 0 427.673 5.210 1 0 biogenic,in-vitro IKAFRO C[C@]1(c2ccc(OCC[NH+]3CCCC3)cc2)c2ccc(O)cc2CCN1c1ccc(F)cc1 ZINC000003816422 132268131 /nfs/dbraw/zinc/26/81/31/132268131.db2.gz XAAZIBLMLWLEJF-NDEPHWFRSA-N 1 0 446.566 5.332 1 0 IKAFRO CC(C)(C)[C@H]1CCCC2=C1[NH2+]N(c1nc(-c3ccc(F)cc3)cs1)[C@]2(O)C(F)(F)F ZINC000035999493 518976664 /nfs/dbraw/zinc/97/66/64/518976664.db2.gz KKBBMOZXYZHLCD-AUSJPIAWSA-N 1 0 441.494 5.839 2 0 IKAFRO CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)C[n+]1c2ccccc2n(C)c1COc1ccccc1 ZINC000003878732 555950569 /nfs/dbraw/zinc/95/05/69/555950569.db2.gz HACNGQQLOZYIEB-NIRIFSCTSA-N 1 0 435.588 5.049 1 0 IKAFRO C[C@H]([C@H]1CC[C@H](C)C[N@@H+]1C)[C@@H]1C=C[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@]2(C)C1 ZINC000095912326 560057276 /nfs/dbraw/zinc/05/72/76/560057276.db2.gz YWTDTKWYDRWAKX-AVQBBDCLSA-N 1 0 427.673 5.328 1 0 biogenic,in-vitro IKAFRO CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2F)c2c([nH+]1)CCCC2 ZINC000000599878 562918571 /nfs/dbraw/zinc/91/85/71/562918571.db2.gz IFOUVXQJTBIQQW-UHFFFAOYSA-N 1 0 429.499 5.088 1 0 IKAFRO CCCC(=O)c1cnc2c(OCCC[NH+]3CCCCC3)cccc2c1Nc1ccccc1C ZINC000001541162 562922650 /nfs/dbraw/zinc/92/26/50/562922650.db2.gz UUWNEPZKODPGHQ-UHFFFAOYSA-N 1 0 445.607 6.524 1 0 IKAFRO c1ccc2c(c1)sc1c2[C@H](c2ccc(OCC[NH+]3CCCCC3)cc2)Oc2ccccc2-1 ZINC000001545278 562922743 /nfs/dbraw/zinc/92/27/43/562922743.db2.gz LJHYLRJDWMLYMC-MHZLTWQESA-N 1 0 441.596 6.915 1 0 IKAFRO Cc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(-c2ccccc2)c(C)[nH+]1 ZINC000001555026 562923023 /nfs/dbraw/zinc/92/30/23/562923023.db2.gz NZPOOSCEGSJCJK-UHFFFAOYSA-N 1 0 433.515 5.792 1 0 IKAFRO FC(F)(F)c1ccc2c(c1)nc(Cc1ccccc1)n2C[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000001656568 562924048 /nfs/dbraw/zinc/92/40/48/562924048.db2.gz VYBKTUUDMDGXLT-DENIHFKCSA-N 1 0 427.514 5.910 1 0 IKAFRO Clc1ccc(Cc2nc3cc(CC[NH+]4CCN(c5ccccc5)CC4)ccc3[nH]2)cc1 ZINC000001658044 562924141 /nfs/dbraw/zinc/92/41/41/562924141.db2.gz VPUAQCQMOIAGBY-UHFFFAOYSA-N 1 0 430.983 5.172 1 0 IKAFRO COc1ccc2c(c1)OC[C@@H](c1ccccc1)[C@H]2c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000001719401 562924454 /nfs/dbraw/zinc/92/44/54/562924454.db2.gz SKXCQODDFFKXHF-XCZPVHLTSA-N 1 0 429.560 5.478 1 0 IKAFRO CC(C)c1cc2ccccn2c1S(=O)(=O)c1ccc(OCCC[NH2+]C(C)(C)C)cc1 ZINC000001889733 562925240 /nfs/dbraw/zinc/92/52/40/562925240.db2.gz GFKMRYQTRYCFMA-UHFFFAOYSA-N 1 0 428.598 5.053 1 0 IKAFRO CCCC[NH+](CCCC)C[C@@H](O)c1cc2ccc(Br)cc2c2ccsc21 ZINC000002008241 562925538 /nfs/dbraw/zinc/92/55/38/562925538.db2.gz FLAJCCDKCMNUOX-OAQYLSRUSA-N 1 0 434.443 6.753 1 0 IKAFRO COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@H]2c1ccc(OCC[NH+](C)C)cc1 ZINC000002021432 562925654 /nfs/dbraw/zinc/92/56/54/562925654.db2.gz IORHSRGNDIZONT-RRPNLBNLSA-N 1 0 431.576 5.722 1 0 IKAFRO CC(=O)c1ccc(CC2CC[NH+](C3(C)CCN(C(=O)c4c(C)cccc4C)CC3)CC2)cc1 ZINC000003594456 562936725 /nfs/dbraw/zinc/93/67/25/562936725.db2.gz PGHGXGPMAYCWGK-UHFFFAOYSA-N 1 0 446.635 5.455 1 0 IKAFRO COc1cccc2c1CC[C@@H]([NH+]1CCCC1)[C@@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000003780150 562937797 /nfs/dbraw/zinc/93/77/97/562937797.db2.gz SYOPRZWROBOKGX-ZJSXRUAMSA-N 1 0 447.406 5.155 1 0 IKAFRO CCCC[NH+](CCCC)CCCOc1ccc(S(=O)(=O)c2ccoc2C(C)C)cc1 ZINC000003787705 562937878 /nfs/dbraw/zinc/93/78/78/562937878.db2.gz OIMZXCJLBOQRCA-UHFFFAOYSA-N 1 0 435.630 5.907 1 0 IKAFRO CC1(C)CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](C[NH+]2CCCC2)c2ccccc21 ZINC000003787036 562937887 /nfs/dbraw/zinc/93/78/87/562937887.db2.gz GTNQJYKMLZNFMJ-QFIPXVFZSA-N 1 0 431.407 5.493 1 0 IKAFRO C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](SCCC[NH3+])CC[C@@]43C)[C@@H]1CC[C@@H]2C1=CC(=O)OC1 ZINC000003799876 562938212 /nfs/dbraw/zinc/93/82/12/562938212.db2.gz CQKMTNXUVGDQJE-WRPYGWGESA-N 1 0 431.686 5.579 1 0 IKAFRO Cc1cc(C(=O)Nc2ccc(C(=[NH2+])N(C)C)cc2F)n(-c2ccc3cc(Cl)ccc3c2)n1 ZINC000003949174 562939783 /nfs/dbraw/zinc/93/97/83/562939783.db2.gz MMSOCXBFSNEWLT-UHFFFAOYSA-N 1 0 449.917 5.266 1 0 IKAFRO Cc1noc(C)c1C(=O)N1CCC2(CC1)CC[NH+](C(c1ccccc1)c1ccccc1)CC2 ZINC000003956212 562939931 /nfs/dbraw/zinc/93/99/31/562939931.db2.gz ALHIJKCPHNRYRW-UHFFFAOYSA-N 1 0 443.591 5.399 1 0 IKAFRO CC(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000003956020 562939933 /nfs/dbraw/zinc/93/99/33/562939933.db2.gz MQEUNOAJYJOFAV-IBGZPJMESA-N 1 0 436.440 5.308 1 0 IKAFRO Oc1ccc2c(c1)OC[C@H](c1ccccc1)[C@@H]2c1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000003965078 562940177 /nfs/dbraw/zinc/94/01/77/562940177.db2.gz ZWHMXMZJPYQRHT-IXCJQBJRSA-N 1 0 445.628 6.278 1 0 IKAFRO Fc1ccc(CCC[NH+]2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000003978818 562940305 /nfs/dbraw/zinc/94/03/05/562940305.db2.gz URHDHOCAMMJPFU-UHFFFAOYSA-N 1 0 431.595 6.667 1 0 IKAFRO CC(C)=CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[NH+](C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000003982799 562940338 /nfs/dbraw/zinc/94/03/38/562940338.db2.gz MGEUOPIPYIANSI-BXTKZHJHSA-N 1 0 428.705 6.046 1 0 IKAFRO CC(C)NC(=O)N(C1CC[NH+](CCCOc2ccc(F)cc2)CC1)C1CCCCCCC1 ZINC000003993837 562940571 /nfs/dbraw/zinc/94/05/71/562940571.db2.gz KKDALAZYEILFRD-UHFFFAOYSA-N 1 0 447.639 5.592 1 0 IKAFRO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCC[C@@H](C(=O)N2CCc3ccccc32)C1 ZINC000004437217 562943362 /nfs/dbraw/zinc/94/33/62/562943362.db2.gz HRXOXIXMSYNCRK-HXUWFJFHSA-N 1 0 435.955 5.105 3 0 IKAFRO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCC[C@H](C(=O)N2CCc3ccccc32)C1 ZINC000004437213 562943392 /nfs/dbraw/zinc/94/33/92/562943392.db2.gz HRXOXIXMSYNCRK-FQEVSTJZSA-N 1 0 435.955 5.105 3 0 IKAFRO Cc1ccc(-c2cc(-c3ccc(C)cc3)[n+](-c3ccccc3)c(-c3ccc(C)cc3)c2)cc1 ZINC000005416941 562943884 /nfs/dbraw/zinc/94/38/84/562943884.db2.gz GWAVODRMPDBYNC-UHFFFAOYSA-N 1 0 426.583 7.890 3 0 IKAFRO C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC[NH+]5CCCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000005845017 562945053 /nfs/dbraw/zinc/94/50/53/562945053.db2.gz RGCPGGMPBRETQV-UIICNSEESA-N 1 0 428.661 5.559 1 0 IKAFRO C(CC12CC3CC(CC(C3)C1)C2)N1C2=[NH+]C[C@@H](C3CCCCC3)N2C[C@@H]1C1CCCCC1 ZINC000005843116 562945072 /nfs/dbraw/zinc/94/50/72/562945072.db2.gz OHWJHEBEZGFJTG-OUXIBTGWSA-N 1 0 437.716 6.478 1 0 IKAFRO CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@H](CO)[N@H+](C)CC/C=C(\C)CCC=C(C)C ZINC000006002844 562945611 /nfs/dbraw/zinc/94/56/11/562945611.db2.gz AASSGPJLRRBDET-YSLAQYRWSA-N 1 0 429.733 8.171 1 0 IKAFRO C[C@H](CC[C@@H]1[NH2+]C1(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000006036480 562946008 /nfs/dbraw/zinc/94/60/08/562946008.db2.gz JDIKVIQXIGRCEN-LCWRUPSGSA-N 1 0 441.744 7.263 1 0 IKAFRO C[C@H](CCCC(C)(C)[NH3+])[C@@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 ZINC000006036306 562946012 /nfs/dbraw/zinc/94/60/12/562946012.db2.gz IHJMWZWIJOZWNP-UHGVORHOSA-N 1 0 443.760 7.640 1 0 IKAFRO C[C@H](CCCC(C)(C)[NH3+])[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 ZINC000006491687 562946893 /nfs/dbraw/zinc/94/68/93/562946893.db2.gz IHJMWZWIJOZWNP-QPOZJWKMSA-N 1 0 443.760 7.640 1 0 IKAFRO O=C(C1CCCCC1)N1C[C@H](C[NH+]2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000006579195 562948149 /nfs/dbraw/zinc/94/81/49/562948149.db2.gz PJJLWEODISMAPG-WUFINQPMSA-N 1 0 430.636 5.689 1 0 IKAFRO Cc1nc2c(nc(-c3ccccc3)n2CCC[N@H+]2CCCC[C@@H]2C)c(NC2CCCCC2)n1 ZINC000008017432 562948835 /nfs/dbraw/zinc/94/88/35/562948835.db2.gz MZEJIRYFUZJFCV-FQEVSTJZSA-N 1 0 446.643 5.811 1 0 IKAFRO CC[NH+](CC)CCCCn1c(-c2ccccc2)nc2c1nc(C)nc2NCc1ccccc1 ZINC000008017477 562948867 /nfs/dbraw/zinc/94/88/67/562948867.db2.gz DELYDTGQYDFYNR-UHFFFAOYSA-N 1 0 442.611 5.536 1 0 IKAFRO c1ccc([C@H]2[C@H]3C[N@@H+](CC4CCCCC4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cc1 ZINC000008585827 562950046 /nfs/dbraw/zinc/95/00/46/562950046.db2.gz PMQVAONUMYVHIH-HXUOFSJXSA-N 1 0 448.654 7.150 3 0 IKAFRO CCC[NH+](CCC)CCCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1 ZINC000008596509 562953825 /nfs/dbraw/zinc/95/38/25/562953825.db2.gz ZEDHRKHWBLMQAY-UHFFFAOYSA-N 1 0 433.021 5.197 1 0 IKAFRO C[C@H](CCc1ccc(O)cc1)[N@@H+]1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000012031365 562980470 /nfs/dbraw/zinc/98/04/70/562980470.db2.gz MZGYISGPSJXIML-QGZVFWFLSA-N 1 0 446.572 5.590 1 0 IKAFRO Cc1csc([C@@H](C)NC(=O)c2ccc(OC3CC[NH+](CCc4ccccc4)CC3)cc2)n1 ZINC000012225568 562980981 /nfs/dbraw/zinc/98/09/81/562980981.db2.gz UUCJFRHMTOBCTF-HXUWFJFHSA-N 1 0 449.620 5.028 3 0 IKAFRO COc1cc2[nH]c(-c3ccc4c(c3)[C@H]([NH+]3CCCC3)CCO4)cc(=O)c2cc1-c1cnco1 ZINC000012354298 562981231 /nfs/dbraw/zinc/98/12/31/562981231.db2.gz SMWPCVXEONHYQE-JOCHJYFZSA-N 1 0 443.503 5.190 1 0 IKAFRO Cc1cc(C)n(CCC[NH+]2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)n1 ZINC000012453235 562982237 /nfs/dbraw/zinc/98/22/37/562982237.db2.gz IWBVPWPPANAUJF-UHFFFAOYSA-N 1 0 434.559 5.047 3 0 IKAFRO O=C(Nc1ccccc1-c1ccccc1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1 ZINC000012494853 562982513 /nfs/dbraw/zinc/98/25/13/562982513.db2.gz JVXQTICAQRFDBP-QILAJZQNSA-N 1 0 443.566 6.200 3 0 IKAFRO O=c1c(-c2ccc(OC(F)(F)F)cc2)cccn1[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000013436613 562986008 /nfs/dbraw/zinc/98/60/08/562986008.db2.gz AIGBFJAZWRJQLT-JOCHJYFZSA-N 1 0 428.454 5.099 1 0 IKAFRO c1ccc([C@H]2CN3OC4(C[C@H]3[C@@H]2C[NH+]2CCC(c3ccccc3)CC2)CCCCC4)cc1 ZINC000013439127 562986146 /nfs/dbraw/zinc/98/61/46/562986146.db2.gz FSDGIZCOZRCCMO-FCEKVYKBSA-N 1 0 430.636 5.988 1 0 IKAFRO O=C(NCCC[NH+]1CCC(Cc2ccc(F)cc2)CC1)Nc1cccc(-c2ccco2)c1 ZINC000013443540 562986633 /nfs/dbraw/zinc/98/66/33/562986633.db2.gz LDQNXVYONJHDQT-UHFFFAOYSA-N 1 0 435.543 5.552 1 0 IKAFRO Cc1cc(NCc2ccccc2)c2cc(NC(=O)/C=C/c3ccccc3Cl)ccc2[nH+]1 ZINC000013448063 562987126 /nfs/dbraw/zinc/98/71/26/562987126.db2.gz IUHCXLNWSPBOKX-SDNWHVSQSA-N 1 0 427.935 6.461 1 0 IKAFRO COC(=O)c1ccc(C[NH+]2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000013472260 562987915 /nfs/dbraw/zinc/98/79/15/562987915.db2.gz ZNYMHPBIOCZAJN-UHFFFAOYSA-N 1 0 443.587 5.882 1 0 IKAFRO O=C(Cc1ccc(F)cc1)Nc1ccccc1CC[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000013475882 562988972 /nfs/dbraw/zinc/98/89/72/562988972.db2.gz SQRHRTSZOOXWRY-UHFFFAOYSA-N 1 0 448.557 5.643 1 0 IKAFRO O=C(Nc1ccccc1C[NH+]1CCC(C(=O)c2ccccc2)CC1)Nc1cc(F)ccc1F ZINC000013475781 562989012 /nfs/dbraw/zinc/98/90/12/562989012.db2.gz VSABHQVLBAWRRF-UHFFFAOYSA-N 1 0 449.501 5.704 1 0 IKAFRO C(COC(c1ccccc1)c1ccccc1)=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCc1ccccc1 ZINC000013487730 562989411 /nfs/dbraw/zinc/98/94/11/562989411.db2.gz MICHYAVIGSLYSM-RNPORBBMSA-N 1 0 437.627 6.979 1 0 IKAFRO O[C@H](COc1cccc2[nH]ccc21)C[NH+]1CCC(c2cc3ccc(Cl)cc3s2)CC1 ZINC000013490093 562990208 /nfs/dbraw/zinc/99/02/08/562990208.db2.gz VIXFISWNURSZBU-IBGZPJMESA-N 1 0 440.996 5.655 1 0 IKAFRO Cc1c(C=CC[NH3+])[nH]c(=O)c2c3c(ccc12)nc(Nc1c(Cl)cccc1Cl)n3C ZINC000013494062 562990980 /nfs/dbraw/zinc/99/09/80/562990980.db2.gz JIFORZFLPPLPJM-QPJJXVBHSA-N 1 0 428.323 5.158 1 0 IKAFRO Fc1ccccc1O[C@H](CC[NH+]1CCN(c2nsc3ccccc32)CC1)c1ccccc1 ZINC000013530527 562992013 /nfs/dbraw/zinc/99/20/13/562992013.db2.gz GLTVVRJGWNLKEM-HSZRJFAPSA-N 1 0 447.579 5.768 1 0 IKAFRO COc1cc2c(cc1OC)C[N@H+](CC[C@@H](Oc1ccc(Cl)cc1)c1ccccc1)CC2 ZINC000013530646 562992045 /nfs/dbraw/zinc/99/20/45/562992045.db2.gz MKSJGKFVKSOTMY-XMMPIXPASA-N 1 0 437.967 5.926 1 0 IKAFRO Fc1ccccc1O[C@@H](CC[NH+]1CCN(c2nsc3ccccc32)CC1)c1ccccc1 ZINC000013530524 562992058 /nfs/dbraw/zinc/99/20/58/562992058.db2.gz GLTVVRJGWNLKEM-QHCPKHFHSA-N 1 0 447.579 5.768 1 0 IKAFRO O=S1(=O)c2cccc3cccc(c23)N1CCCCC[NH+]1CCC(C2CCCCC2)CC1 ZINC000013531210 562992062 /nfs/dbraw/zinc/99/20/62/562992062.db2.gz BDTGPPGDWDIRIY-UHFFFAOYSA-N 1 0 440.653 5.811 1 0 IKAFRO C[NH2+]CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1 ZINC000013537648 562992508 /nfs/dbraw/zinc/99/25/08/562992508.db2.gz ADUPCOZSFKRFSY-UHFFFAOYSA-N 1 0 446.641 6.450 1 0 IKAFRO OC1(c2cccc(C(F)(F)F)c2)CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000013553195 562992822 /nfs/dbraw/zinc/99/28/22/562992822.db2.gz PDFCYCFNUWUGGU-UHFFFAOYSA-N 1 0 439.521 6.211 1 0 IKAFRO Clc1ccc2[nH]cc(/C=C/c3cc(C4CC[NH2+]CC4)nn3-c3cccc(Cl)c3)c2c1 ZINC000013580860 562994576 /nfs/dbraw/zinc/99/45/76/562994576.db2.gz PWSCBDGDOLMHFP-GQCTYLIASA-N 1 0 437.374 6.298 1 0 IKAFRO CCC[N@@H+](Cc1sc(Nc2ccc(Cl)cc2Cl)nc1C(F)(F)F)CC1CC1 ZINC000013587347 562995614 /nfs/dbraw/zinc/99/56/14/562995614.db2.gz MTGPKDWDNOCSEA-UHFFFAOYSA-N 1 0 438.346 6.834 1 0 IKAFRO CCC[N@@H+](Cc1sc(N(C)c2c(C)cc(C)cc2Cl)nc1C(F)(F)F)CC1CC1 ZINC000013587340 562995620 /nfs/dbraw/zinc/99/56/20/562995620.db2.gz ZXTCOIOCSYWXIL-UHFFFAOYSA-N 1 0 445.982 6.822 1 0 IKAFRO C[N@H+](CCO)Cc1ccc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1 ZINC000013588187 562995851 /nfs/dbraw/zinc/99/58/51/562995851.db2.gz MVLNKEXGMMGTDC-UHFFFAOYSA-N 1 0 428.561 5.612 1 0 IKAFRO O[C@H]1c2ccc(OCc3ccccc3)cc2CC[C@@H]1CC[NH+]1CCC(c2ccccc2)CC1 ZINC000013588374 562995912 /nfs/dbraw/zinc/99/59/12/562995912.db2.gz XYNOVHCFMBLOEQ-PDDLMNHVSA-N 1 0 441.615 6.131 1 0 IKAFRO OCCC[NH2+]Cc1ccc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1 ZINC000013588189 562995927 /nfs/dbraw/zinc/99/59/27/562995927.db2.gz MDSJWBBQCSEPDO-UHFFFAOYSA-N 1 0 428.561 5.660 1 0 IKAFRO O=C1c2ccc(OCc3cccnc3)cc2CC[C@H]1CC[NH+]1CCC(c2ccccc2)CC1 ZINC000013588387 562995974 /nfs/dbraw/zinc/99/59/74/562995974.db2.gz ZIECFGISGYNQRZ-VWLOTQADSA-N 1 0 440.587 5.675 1 0 IKAFRO O=C1c2ccc(OCc3ccccn3)cc2CC[C@@H]1CC[NH+]1CCC(c2ccccc2)CC1 ZINC000013588384 562996006 /nfs/dbraw/zinc/99/60/06/562996006.db2.gz ANPLKMIAFZFDGF-XMMPIXPASA-N 1 0 440.587 5.675 1 0 IKAFRO O=C(NCCCCc1ccccc1)c1ccccc1C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000013589135 562996134 /nfs/dbraw/zinc/99/61/34/562996134.db2.gz IZRABDBCSLKIOZ-SANMLTNESA-N 1 0 428.576 5.312 1 0 IKAFRO CC[NH+](CC)CCc1c[nH]c2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc12 ZINC000013611733 562997871 /nfs/dbraw/zinc/99/78/71/562997871.db2.gz QBEDVKUOBOOQJR-UHFFFAOYSA-N 1 0 440.396 5.160 1 0 IKAFRO COc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000013613179 562998062 /nfs/dbraw/zinc/99/80/62/562998062.db2.gz FSIZZJSQRKUBMT-JYFHCDHNSA-N 1 0 435.612 5.330 1 0 IKAFRO Cc1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC000013613257 562998072 /nfs/dbraw/zinc/99/80/72/562998072.db2.gz AUZDFHZZRBZEPU-JCYRPKCISA-N 1 0 437.603 5.769 1 0 IKAFRO CC[NH+](CC)CCCCNc1cc2nc(N)c(-c3c(Cl)cccc3Cl)cc2cn1 ZINC000013647858 562998854 /nfs/dbraw/zinc/99/88/54/562998854.db2.gz HNGPDEJIWHVMBL-UHFFFAOYSA-N 1 0 432.399 5.720 1 0 IKAFRO CC1(C)CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](C[NH+]2CCCC2)c2ccccc21 ZINC000013726261 563001406 /nfs/dbraw/zinc/00/14/06/563001406.db2.gz GTNQJYKMLZNFMJ-JOCHJYFZSA-N 1 0 431.407 5.493 1 0 IKAFRO COc1cccc2c1CCC=C2CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013733311 563002034 /nfs/dbraw/zinc/00/20/34/563002034.db2.gz SYKZOUNLFRNQDR-UHFFFAOYSA-N 1 0 430.514 5.646 1 0 IKAFRO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000013733953 563002161 /nfs/dbraw/zinc/00/21/61/563002161.db2.gz LSXRBLCFKKVJAF-HDICACEKSA-N 1 0 433.423 5.895 1 0 IKAFRO CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000013737261 563002530 /nfs/dbraw/zinc/00/25/30/563002530.db2.gz MNLTXGNMKKIXGG-SANMLTNESA-N 1 0 429.608 6.586 1 0 IKAFRO CCCCc1ccc(/C(=C(\CC)c2ccccc2)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000013740238 563003009 /nfs/dbraw/zinc/00/30/09/563003009.db2.gz QLFPRKOTMZSGJV-FLWNBWAVSA-N 1 0 427.632 7.339 1 0 IKAFRO Fc1ccc(-n2cc(CCCC[NH+]3CCC(c4ccccc4)CC3)c3ccccc32)cc1 ZINC000013741509 563003316 /nfs/dbraw/zinc/00/33/16/563003316.db2.gz GJIZPJUNZBYIDB-UHFFFAOYSA-N 1 0 426.579 6.972 1 0 IKAFRO O=c1ccc2c(n1CCc1ccccc1)CCC[C@H]2[NH2+]CCc1ccc(Cl)c(Cl)c1 ZINC000013743297 563003600 /nfs/dbraw/zinc/00/36/00/563003600.db2.gz UAKOKDRCEFACPO-HSZRJFAPSA-N 1 0 441.402 5.608 1 0 IKAFRO FC(F)(F)c1cc(CO[C@@H]2C3CC[NH+](CC3)[C@@H]2Cc2ccccc2)cc(C(F)(F)F)c1 ZINC000013744532 563003816 /nfs/dbraw/zinc/00/38/16/563003816.db2.gz JOTMNMNWQYWMOE-NHCUHLMSSA-N 1 0 443.431 5.946 1 0 IKAFRO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)C(c1ccccc1)c1ccccc1 ZINC000013755527 563004210 /nfs/dbraw/zinc/00/42/10/563004210.db2.gz DKXNWXXUHISEHY-UHFFFAOYSA-N 1 0 426.604 5.280 1 0 IKAFRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c2ccccc21 ZINC000013757973 563004586 /nfs/dbraw/zinc/00/45/86/563004586.db2.gz UFEYOJAXAPVSJT-QHCPKHFHSA-N 1 0 447.966 5.636 1 0 IKAFRO Cc1ccccc1C(=O)N(C)c1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)c3ccccc32)cc1 ZINC000013758028 563004638 /nfs/dbraw/zinc/00/46/38/563004638.db2.gz OOPNPCJITFJIQZ-RUZDIDTESA-N 1 0 441.575 5.315 1 0 IKAFRO Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCC[C@H]([NH+](C)C)c4ccccc43)cc2)c1 ZINC000013757965 563004658 /nfs/dbraw/zinc/00/46/58/563004658.db2.gz LJSUKZDREGZECP-DEOSSOPVSA-N 1 0 427.548 5.291 1 0 IKAFRO Fc1ccc(C(OC2C[C@H]3CC[C@@H](C2)[N@H+]3CCCc2ccccc2)c2ccc(F)cc2)cc1 ZINC000013776235 563005889 /nfs/dbraw/zinc/00/58/89/563005889.db2.gz CYUGXTVDOUZASH-FITHBNAOSA-N 1 0 447.569 6.699 1 0 IKAFRO C[N@H+](CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CC1CC1 ZINC000013781677 563006703 /nfs/dbraw/zinc/00/67/03/563006703.db2.gz UFVWGMRRQSXBLK-QHCPKHFHSA-N 1 0 432.674 5.293 1 0 IKAFRO CCCCCC[C@H](Cc1ccc(OC)c(OCCc2ccccc2)c1)[NH+](CCC)CCC ZINC000013801149 563007860 /nfs/dbraw/zinc/00/78/60/563007860.db2.gz COVIIVAONUEQQW-HHHXNRCGSA-N 1 0 439.684 7.320 1 0 IKAFRO CCCCC[C@@H](Cc1ccc(OC)c(OCCc2ccccc2)c1)[NH+](CCC)CCC ZINC000013801142 563007873 /nfs/dbraw/zinc/00/78/73/563007873.db2.gz TUFDTHVIVZABIT-SANMLTNESA-N 1 0 425.657 6.930 1 0 IKAFRO CC[NH+](CC)CCn1c2ccccc2c2c1ncnc2Nc1cccc(Br)c1 ZINC000013803520 563008087 /nfs/dbraw/zinc/00/80/87/563008087.db2.gz XBYDJMWHBZJNBH-UHFFFAOYSA-N 1 0 438.373 5.432 1 0 IKAFRO c1ccc(CCC[NH2+]C[C@@H]2CCCN(CCOC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000013803913 563008197 /nfs/dbraw/zinc/00/81/97/563008197.db2.gz FDTFUBJUWHYSGU-MHZLTWQESA-N 1 0 442.647 5.727 1 0 IKAFRO CCC[NH+](CCC)CCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1Cl ZINC000013814685 563009173 /nfs/dbraw/zinc/00/91/73/563009173.db2.gz PQQFCUVJXVPTJB-UHFFFAOYSA-N 1 0 425.425 6.595 1 0 IKAFRO C[N@H+](CCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1Cl)Cc1ccccc1 ZINC000013814687 563009209 /nfs/dbraw/zinc/00/92/09/563009209.db2.gz VNFICCZXOXJULI-UHFFFAOYSA-N 1 0 445.415 6.605 1 0 IKAFRO O=C(C1CCC1)N(c1ccc(Br)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000013817808 563009624 /nfs/dbraw/zinc/00/96/24/563009624.db2.gz KROLNNVAILXBJV-UHFFFAOYSA-N 1 0 427.386 5.247 1 0 IKAFRO COc1cc2cc(C(=O)CCc3cc[n+](Cc4ccc(F)cc4)cc3)sc2cc1OC ZINC000013818095 563009655 /nfs/dbraw/zinc/00/96/55/563009655.db2.gz FUUAKMKHJMTYEE-UHFFFAOYSA-N 1 0 436.528 5.209 1 0 IKAFRO O=C(NC1CC[NH+](CC2CCCCCCC2)CC1)[C@](O)(c1ccccc1)C1CCCC1 ZINC000013835837 563012251 /nfs/dbraw/zinc/01/22/51/563012251.db2.gz RMIVAAULYORDDZ-MHZLTWQESA-N 1 0 426.645 5.006 1 0 IKAFRO FC(F)(F)c1ccc(O[C@@H](CC[NH+]2CCN(c3ccccn3)CC2)c2ccccc2)cc1 ZINC000013861735 563012891 /nfs/dbraw/zinc/01/28/91/563012891.db2.gz BFUZKYZYAVZLHQ-QHCPKHFHSA-N 1 0 441.497 5.433 1 0 IKAFRO COc1cccc(C[NH+]2CCC(N3C(=O)Nc4ccccc4[C@@H]3c3ccccc3)CC2)c1 ZINC000013905967 563013937 /nfs/dbraw/zinc/01/39/37/563013937.db2.gz UYHOJKWVMNWOSQ-SANMLTNESA-N 1 0 427.548 5.297 1 0 IKAFRO COc1ccc([S@](=O)c2ccc(C(=O)C3CC[NH+](C4CCCCC4)CC3)cc2)cc1 ZINC000013909771 563013960 /nfs/dbraw/zinc/01/39/60/563013960.db2.gz GTJOIOQFIDFYOI-PMERELPUSA-N 1 0 425.594 5.089 1 0 IKAFRO Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3ccccc3)cc12 ZINC000013983995 563014274 /nfs/dbraw/zinc/01/42/74/563014274.db2.gz JWYRAAFPDRMISU-QHCPKHFHSA-N 1 0 434.543 5.549 1 0 IKAFRO Cc1ccc(F)cc1NC(=O)[C@@H](Cc1ccccc1)c1csc2ccc(C(N)=[NH2+])cc21 ZINC000014950983 563015675 /nfs/dbraw/zinc/01/56/75/563015675.db2.gz AIYVHKHQIRBMIW-FQEVSTJZSA-N 1 0 431.536 5.598 1 0 IKAFRO Brc1ccc(/C=C/C[NH2+]CCOc2cncc(/C=C/c3ccncc3)c2)cc1 ZINC000014957706 563015920 /nfs/dbraw/zinc/01/59/20/563015920.db2.gz BRTUFPWBSLVVMJ-MVJNYCIBSA-N 1 0 436.353 5.091 1 0 IKAFRO Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cc(F)cc(C(F)(F)F)c4)c3)cc12 ZINC000014961736 563016193 /nfs/dbraw/zinc/01/61/93/563016193.db2.gz UIXJCGDDTYZBHF-IBGZPJMESA-N 1 0 444.432 5.040 1 0 IKAFRO Oc1ccc2c(c1)sc(-c1ccccc1)c2Oc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000014970926 563016552 /nfs/dbraw/zinc/01/65/52/563016552.db2.gz AMGFCHULXKRDJH-UHFFFAOYSA-N 1 0 445.584 6.931 1 0 IKAFRO C[NH+](C)CCOc1ccc(/C(=C(/CCCCO)c2ccccc2)c2ccc(O)cc2)cc1 ZINC000014978680 563017272 /nfs/dbraw/zinc/01/72/72/563017272.db2.gz KRPGZUBOFAMQPA-DQSJHHFOSA-N 1 0 431.576 5.454 1 0 IKAFRO CCOc1cc(-c2sc(Nc3cc(C)ccc3OC)n[n+]2-c2ccccc2)ccc1OC ZINC000015936899 563019083 /nfs/dbraw/zinc/01/90/83/563019083.db2.gz WVFZHFLCSWLYKE-UHFFFAOYSA-N 1 0 448.568 5.555 3 0 IKAFRO COc1ccc(C)cc1Nc1n[n+](-c2ccccc2)c(-c2cccc(Cl)c2Cl)s1 ZINC000015936897 563019114 /nfs/dbraw/zinc/01/91/14/563019114.db2.gz MOFLFXVZDBIPHA-UHFFFAOYSA-N 1 0 443.379 6.454 3 0 IKAFRO COc1cc2c3c(c1OC)-c1ccccc1[C@H]([C@@H](OC(C)=O)c1ccccc1)[C@@H]3[N@H+](C)CC2 ZINC000017193276 563021577 /nfs/dbraw/zinc/02/15/77/563021577.db2.gz IGRKHRUNPPEQNP-VJGNERBWSA-N 1 0 443.543 5.301 1 0 IKAFRO c1ccc(CCC[NH+]2CCN(CCCN(Cc3ccccc3)c3ccccc3)CC2)cc1 ZINC000022925707 563025907 /nfs/dbraw/zinc/02/59/07/563025907.db2.gz ZKMLAACIBJTRKI-UHFFFAOYSA-N 1 0 427.636 5.334 1 0 IKAFRO Cc1ccccc1[C@@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[NH2+]CC1 ZINC000022926829 563026043 /nfs/dbraw/zinc/02/60/43/563026043.db2.gz HWXJZYJEUPUUCM-HXUWFJFHSA-N 1 0 446.435 5.196 1 0 IKAFRO Cc1cccc([C@@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CC[NH2+]CC2)c1 ZINC000022926862 563026089 /nfs/dbraw/zinc/02/60/89/563026089.db2.gz HLXSDXICZGENQQ-HXUWFJFHSA-N 1 0 446.435 5.196 1 0 IKAFRO FC(F)(F)c1cc(CN2CC[NH2+][C@H](Cc3c[nH]c4ccccc34)C2)cc(C(F)(F)F)c1 ZINC000022937531 563026460 /nfs/dbraw/zinc/02/64/60/563026460.db2.gz CVJXAAMXYMIAEU-GOSISDBHSA-N 1 0 441.419 5.222 1 0 IKAFRO C[C@@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@@H](C)C[N@@H+]1CCCc1ccccc1 ZINC000022938454 563026534 /nfs/dbraw/zinc/02/65/34/563026534.db2.gz XFHMIYUKNNXRRC-FTJBHMTQSA-N 1 0 442.647 5.820 1 0 IKAFRO c1ccc(C(OCCN2CC[NH+](Cc3ccc4ccccc4c3)CC2)c2ccccc2)cc1 ZINC000022938666 563026542 /nfs/dbraw/zinc/02/65/42/563026542.db2.gz WTXOULSDKRPSGE-UHFFFAOYSA-N 1 0 436.599 5.764 1 0 IKAFRO c1c2ccccc2sc1C[NH+]1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000022938616 563026574 /nfs/dbraw/zinc/02/65/74/563026574.db2.gz OFISADYWEOBLPB-UHFFFAOYSA-N 1 0 442.628 5.825 1 0 IKAFRO COc1cccc([C@H](c2ccc(C(C)(C)C)cc2)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000022939109 563026702 /nfs/dbraw/zinc/02/67/02/563026702.db2.gz POUSMXNITPRXFI-NDEPHWFRSA-N 1 0 428.620 5.900 1 0 IKAFRO Oc1cccc([C@H](c2ccc(-c3ccccc3)cc2)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000022939100 563026732 /nfs/dbraw/zinc/02/67/32/563026732.db2.gz LCSYHXZNEVCMEZ-PMERELPUSA-N 1 0 434.583 5.966 1 0 IKAFRO CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000022939511 563026841 /nfs/dbraw/zinc/02/68/41/563026841.db2.gz PRARFSGCMXWAAS-NDEPHWFRSA-N 1 0 441.619 5.076 1 0 IKAFRO O[C@H]1c2ccc(OCc3ccccc3)cc2CC[C@H]1CC[NH+]1CCC(c2ccccc2)CC1 ZINC000025973485 563027781 /nfs/dbraw/zinc/02/77/81/563027781.db2.gz XYNOVHCFMBLOEQ-FREGXXQWSA-N 1 0 441.615 6.131 1 0 IKAFRO Clc1ccccc1CCC[NH+]1CCC(COC(c2ccccc2)c2ccccc2)CC1 ZINC000025993982 563028089 /nfs/dbraw/zinc/02/80/89/563028089.db2.gz ZUKHNQCGAJTYII-UHFFFAOYSA-N 1 0 434.023 6.791 1 0 IKAFRO COc1ccccc1CCC[NH+]1CCC(COC(c2ccccc2)c2ccccc2)CC1 ZINC000025999377 563028180 /nfs/dbraw/zinc/02/81/80/563028180.db2.gz MYZAHVYNZFWMCU-UHFFFAOYSA-N 1 0 429.604 6.146 1 0 IKAFRO C[NH+](C)CCOc1ccc(C(=O)c2c3ccc(O)cc3sc2-c2ccc(O)cc2)cc1 ZINC000026009283 563028358 /nfs/dbraw/zinc/02/83/58/563028358.db2.gz GVHFVTLDHBPKOF-UHFFFAOYSA-N 1 0 433.529 5.151 1 0 IKAFRO COc1ccc(CCCC[NH2+]CCc2c3ccccc3[nH]c2-c2cc(C)cc(C)c2)cn1 ZINC000026019492 563028703 /nfs/dbraw/zinc/02/87/03/563028703.db2.gz QQLQYQXMBHRCMP-UHFFFAOYSA-N 1 0 427.592 6.010 1 0 IKAFRO C[C@@H]([NH2+]C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)c1cccc2ccccc21 ZINC000026154133 563029011 /nfs/dbraw/zinc/02/90/11/563029011.db2.gz JVELVBSSYRSDHV-QPPBQGQZSA-N 1 0 444.600 5.080 1 0 IKAFRO Oc1ccc2c(c1)sc(C1CCCCC1)c2Cc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000026173197 563029453 /nfs/dbraw/zinc/02/94/53/563029453.db2.gz YLSJHPWZERMRFI-UHFFFAOYSA-N 1 0 449.660 7.110 1 0 IKAFRO COc1ccc2c(c1)OC[C@@H](c1ccccc1)[C@@H]2c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000026255985 563030149 /nfs/dbraw/zinc/03/01/49/563030149.db2.gz GOCOLXIVFQWUBL-LMSSTIIKSA-N 1 0 443.587 5.868 1 0 IKAFRO Cc1ccc(NC(=O)CCCC[C@@H](C)[NH2+]C[C@@H](O)COc2cccc3ccccc32)cc1 ZINC000026278713 563030637 /nfs/dbraw/zinc/03/06/37/563030637.db2.gz GYGLUIKOLCBIDX-ZJSXRUAMSA-N 1 0 434.580 5.065 1 0 IKAFRO Cc1ccc(NC(=O)CCCC[C@H](C)[NH2+]C[C@H](O)COc2cccc3ccccc32)cc1 ZINC000026278719 563030654 /nfs/dbraw/zinc/03/06/54/563030654.db2.gz GYGLUIKOLCBIDX-URXFXBBRSA-N 1 0 434.580 5.065 1 0 IKAFRO CCCC[NH+](CCCC)CCCOc1ccc(-c2cn3c4ccccc4sc3n2)cc1 ZINC000026294358 563030952 /nfs/dbraw/zinc/03/09/52/563030952.db2.gz YIVZDZIYKHZLFY-UHFFFAOYSA-N 1 0 435.637 6.887 1 0 IKAFRO COc1ccc2c(cc3n2Cc2c-3nc3ccc(OCC[NH+]4CCCCC4)cc3c2C)c1 ZINC000026401436 563031800 /nfs/dbraw/zinc/03/18/00/563031800.db2.gz LAYUNMASFUUEMN-UHFFFAOYSA-N 1 0 427.548 5.400 1 0 IKAFRO CCc1c2c(nc3ccc(OCC[NH+]4CCCCC4)cc31)-c1cc3cc(OC)ccc3n1C2 ZINC000026402946 563031932 /nfs/dbraw/zinc/03/19/32/563031932.db2.gz BHCBILDOSZFBDU-UHFFFAOYSA-N 1 0 441.575 5.654 1 0 IKAFRO CCc1c2c(nc3ccc(OCC[NH+]4CCCCC4)cc31)-c1cc3cc(O)ccc3n1C2 ZINC000026403752 563031950 /nfs/dbraw/zinc/03/19/50/563031950.db2.gz XTZXUZWNICEDHL-UHFFFAOYSA-N 1 0 427.548 5.351 1 0 IKAFRO Fc1ccc(N2CC[NH+](CCCOc3ccc4c(c3)[C@H](c3ccccc3)CC4)CC2)cc1 ZINC000026505209 563032890 /nfs/dbraw/zinc/03/28/90/563032890.db2.gz GOVKLLIITOGMRQ-MHZLTWQESA-N 1 0 430.567 5.495 1 0 IKAFRO CC/C(=C(\c1ccc(OCC[NH+](C)C)cc1)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000026567749 563033184 /nfs/dbraw/zinc/03/31/84/563033184.db2.gz GQOPYPFDMRFHBS-RQZHXJHFSA-N 1 0 449.616 5.400 1 0 IKAFRO CCC(=O)N(c1ccccc1)C1(c2nc(C)cs2)CC[NH+](CCc2ccccc2)CC1 ZINC000026572060 563033336 /nfs/dbraw/zinc/03/33/36/563033336.db2.gz KATBOLJYYSTEGI-UHFFFAOYSA-N 1 0 433.621 5.429 1 0 IKAFRO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2ccccc2[C@@H]1C[NH+]1CCCCCC1 ZINC000026577184 563033858 /nfs/dbraw/zinc/03/38/58/563033858.db2.gz SKJOVMGLMDHNKI-QHCPKHFHSA-N 1 0 431.407 5.538 1 0 IKAFRO CCC[NH+](CCC)C[C@H]1c2ccccc2CCN1C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000026579361 563034113 /nfs/dbraw/zinc/03/41/13/563034113.db2.gz NGVJDORGDXUYNF-QHCPKHFHSA-N 1 0 433.423 5.784 1 0 IKAFRO O=C(c1ccccc1F)N1C[C@H](C[NH+]2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026652991 563034702 /nfs/dbraw/zinc/03/47/02/563034702.db2.gz JUEQHBNCBLUIKN-AHKZPQOWSA-N 1 0 442.578 5.561 1 0 IKAFRO O=C(Cc1ccccc1)N1C[C@H](C[NH+]2CCC(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026654225 563034783 /nfs/dbraw/zinc/03/47/83/563034783.db2.gz ZNKKMHNVKWDTQP-URLMMPGGSA-N 1 0 438.615 5.351 1 0 IKAFRO c1ccc(C2CC[NH+](C[C@@H]3C[C@@H]4c5ccccc5Sc5ccccc5[C@H]4O3)CC2)cc1 ZINC000026663131 563035079 /nfs/dbraw/zinc/03/50/79/563035079.db2.gz ODJIGTDOQQQJKM-UTOLSJPLSA-N 1 0 427.613 6.645 1 0 IKAFRO CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@H+](CCC(N)=O)CC1 ZINC000026665326 563035226 /nfs/dbraw/zinc/03/52/26/563035226.db2.gz ZZHNOVUUFUFNLN-QZTJIDSGSA-N 1 0 428.617 5.218 1 0 IKAFRO COc1ccc(C[C@H]2[NH2+]CCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc1OC ZINC000026670389 563035304 /nfs/dbraw/zinc/03/53/04/563035304.db2.gz SMJLESCHYNIWNW-XMMPIXPASA-N 1 0 428.532 5.194 1 0 IKAFRO COc1ccc([C@@H]2Sc3cc(C(F)(F)F)ccc3N(CC[NH+](C)C)C(=O)[C@@H]2C)cc1 ZINC000026672455 563035371 /nfs/dbraw/zinc/03/53/71/563035371.db2.gz GIPPORVRIGWAOU-JLTOFOAXSA-N 1 0 438.515 5.092 1 0 IKAFRO O=C(NCCCC[N@H+]1CC[C@H]2c3ccc(O)cc3CC[C@@H]21)c1ccc(-c2ccccc2)cc1 ZINC000026720814 563035621 /nfs/dbraw/zinc/03/56/21/563035621.db2.gz GFWJJPMDPCQZBK-NSOVKSMOSA-N 1 0 440.587 5.374 1 0 IKAFRO COc1cccc(OC)c1OCC[NH2+]C[C@H]1C(=O)c2ccccc2S[C@@H]1c1ccccc1 ZINC000026743537 563036354 /nfs/dbraw/zinc/03/63/54/563036354.db2.gz GAWCPJXNKBSMOF-RXFWQSSRSA-N 1 0 449.572 5.018 1 0 IKAFRO C[C@@]12CC[C@H]([C@@H]([NH3+])CCc3ccccc3)[C@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C ZINC000026750877 563036628 /nfs/dbraw/zinc/03/66/28/563036628.db2.gz JEIBQWVDBWZQOZ-DPYPCGPOSA-N 1 0 437.712 6.602 1 0 IKAFRO C[C@@]12CC[C@H]([C@H]([NH3+])CCc3ccccc3)[C@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C ZINC000026750882 563036649 /nfs/dbraw/zinc/03/66/49/563036649.db2.gz JEIBQWVDBWZQOZ-CWTJTEAPSA-N 1 0 437.712 6.602 1 0 IKAFRO CCOc1c(-c2csc(-c3cc(C(N)=[NH2+])sc3SC)n2)cnn1-c1ccccc1 ZINC000026824846 563037040 /nfs/dbraw/zinc/03/70/40/563037040.db2.gz XJCFEOOXFILUMJ-UHFFFAOYSA-N 1 0 441.607 5.129 1 0 IKAFRO COC(=O)c1ccc(C[n+]2c3ccccc3n3nc4c5cccc6cccc(c4cc32)c56)cc1 ZINC000026827627 563037099 /nfs/dbraw/zinc/03/70/99/563037099.db2.gz YTSAEJZEFUCDCD-UHFFFAOYSA-N 1 0 442.498 5.411 1 0 IKAFRO CC(C)([NH3+])CCc1ccc(Cl)c(C(=O)c2ccc(Nc3ccc(F)cc3F)nc2)c1 ZINC000027184425 563040195 /nfs/dbraw/zinc/04/01/95/563040195.db2.gz PLXBNOAKZCWBCR-UHFFFAOYSA-N 1 0 429.898 5.658 1 0 IKAFRO CC[NH+]1CCN(c2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)CC1 ZINC000027201927 563040584 /nfs/dbraw/zinc/04/05/84/563040584.db2.gz VIOALNJIAUKRMB-IZZNHLLZSA-N 1 0 448.588 5.207 1 0 IKAFRO C[C@@H](N1C2=[NH+]C[C@@H](C3CCCCC3)N2C[C@@H]1C1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000027210846 563040987 /nfs/dbraw/zinc/04/09/87/563040987.db2.gz QLWHCGAXAKJOIC-TVTHPTNISA-N 1 0 437.716 6.476 1 0 IKAFRO Nc1nc2c(c(-c3ccc(Cl)cc3Cl)c1C[NH3+])Cc1cc(Br)ccc1-2 ZINC000027212216 563041071 /nfs/dbraw/zinc/04/10/71/563041071.db2.gz SDKDZZQBWNHFFL-UHFFFAOYSA-N 1 0 435.152 5.430 1 0 IKAFRO CCC[NH+](CCC)[C@@H]1CCc2c(ccc([C@H](O)Cc3ccc(Cl)cc3)c2OC)[C@@H]1C ZINC000027405790 563041762 /nfs/dbraw/zinc/04/17/62/563041762.db2.gz ZSHABDJGHVJYOC-PISWEHOVSA-N 1 0 430.032 6.165 1 0 IKAFRO Cc1cccc2c1C(=O)N(CCCCC[N@H+]1CC=C(c3c[nH]c4ccccc34)CC1)C2=O ZINC000027331869 563041767 /nfs/dbraw/zinc/04/17/67/563041767.db2.gz XRYOHUILNZTLBQ-UHFFFAOYSA-N 1 0 427.548 5.032 1 0 IKAFRO O=C1c2cccc(F)c2C(=O)N1CCCCC[N@H+]1CC=C(c2c[nH]c3ccc(F)cc23)CC1 ZINC000027406257 563041791 /nfs/dbraw/zinc/04/17/91/563041791.db2.gz ISWUHEUWAVWBQS-UHFFFAOYSA-N 1 0 449.501 5.002 1 0 IKAFRO C/C=C(\C)C(=O)NC1=CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4CC[C@H]([C@H](C)[NH+](C)C)[C@@]4(C)CC[C@@H]32)C1=O ZINC000027440060 563042454 /nfs/dbraw/zinc/04/24/54/563042454.db2.gz VWQAUBJBEMSAFZ-HRZYILLOSA-N 1 0 440.672 5.351 1 0 IKAFRO CCCC[N@@H+]1C[C@H](C(=O)OC2CCCCC2)C[C@@H]2c3cccc4c3c(cn4C(C)C)C[C@@H]21 ZINC000027518428 563042612 /nfs/dbraw/zinc/04/26/12/563042612.db2.gz ONLUPAGVWPDBBI-QQSVUBKYSA-N 1 0 436.640 6.228 1 0 IKAFRO CN1c2ccccc2C(c2ccccc2F)=[NH+]C[C@@H]1CNc1cccc(C(F)(F)F)c1 ZINC000027521703 563042763 /nfs/dbraw/zinc/04/27/63/563042763.db2.gz UCJYVPYJDOOMRP-SFHVURJKSA-N 1 0 427.445 5.612 1 0 IKAFRO c1ccc(-c2ccc(COc3ccc4c(c3)CC[C@@H](CC[NH+]3CCCCC3)C4)cc2)cc1 ZINC000027523751 563042911 /nfs/dbraw/zinc/04/29/11/563042911.db2.gz ICEDUXJQWPWGLP-DEOSSOPVSA-N 1 0 425.616 6.914 1 0 IKAFRO C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4C[C@@H](SCCC[NH3+])CC[C@@]43C)C1=CC[C@@H]2C1=CC(=O)OC1 ZINC000027525052 563043131 /nfs/dbraw/zinc/04/31/31/563043131.db2.gz LFJNOMLQQIBVAY-SFHLNJAASA-N 1 0 429.670 5.499 1 0 IKAFRO Oc1ccc(CCCC[NH2+]CCc2c3ccccc3[nH]c2-c2cc3ccccc3s2)cc1 ZINC000027557763 563043891 /nfs/dbraw/zinc/04/38/91/563043891.db2.gz FBIPSCAMNBDWPR-UHFFFAOYSA-N 1 0 440.612 6.910 1 0 IKAFRO Cc1cc(C)cc(-c2[nH]c3ccccc3c2CC[NH2+]CCCCCCc2ccc(O)cc2)c1 ZINC000027558945 563044006 /nfs/dbraw/zinc/04/40/06/563044006.db2.gz RQIXVUGDYPNVGC-UHFFFAOYSA-N 1 0 440.631 7.093 1 0 IKAFRO CC(C)(C)c1cc(I)c2c(c1)C[NH2+]C1(CCC(C(C)(C)C)CC1)O2 ZINC000027651764 563045237 /nfs/dbraw/zinc/04/52/37/563045237.db2.gz IFBZMWVNXTXILL-UHFFFAOYSA-N 1 0 441.397 6.003 1 0 IKAFRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](CCOC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000027727575 563045933 /nfs/dbraw/zinc/04/59/33/563045933.db2.gz WZIMAOZBBMLXCC-VWLOTQADSA-N 1 0 427.632 7.218 1 0 IKAFRO COc1ccc(OC)c2c1C[C@H](O)[C@@H]([NH2+]CCCCC(c1ccccc1)c1ccccc1)C2 ZINC000027726600 563046014 /nfs/dbraw/zinc/04/60/14/563046014.db2.gz ZGFAFZDAJBUAJR-SVBPBHIXSA-N 1 0 445.603 5.124 1 0 IKAFRO Cn1c2ccccc2c2c1CC[C@@H](C[N@H+]1CC=C(c3c[nH]c4ccc(F)cc34)CC1)C2=O ZINC000027738299 563046471 /nfs/dbraw/zinc/04/64/71/563046471.db2.gz MREHFQAOUHEUFA-SFHVURJKSA-N 1 0 427.523 5.333 1 0 IKAFRO COc1cccc2c1CC[C@H]([NH+]1CCCC1)[C@H]2N(C)C(=O)Cc1cccc2sccc21 ZINC000027852224 563047353 /nfs/dbraw/zinc/04/73/53/563047353.db2.gz JFZGDZJGFHYWIF-NVQXNPDNSA-N 1 0 434.605 5.063 1 0 IKAFRO COc1cc2onc(C3CC[NH+](CCCc4c(C)[nH]c5ccccc54)CC3)c2cc1OC ZINC000027864464 563047536 /nfs/dbraw/zinc/04/75/36/563047536.db2.gz LNVMCDHSHPFAHN-UHFFFAOYSA-N 1 0 433.552 5.447 1 0 IKAFRO CCCC[NH2+]C[C@H](O)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O ZINC000027878514 563047753 /nfs/dbraw/zinc/04/77/53/563047753.db2.gz CSLYNIARIFXDFE-QFIPXVFZSA-N 1 0 443.543 5.256 1 0 IKAFRO S=c1[nH]c2cccc3c2n1[C@H](Cc1ccccc1)[C@@H](Cc1ccccc1)[N@H+](CC1CC1)C3 ZINC000027878963 563047758 /nfs/dbraw/zinc/04/77/58/563047758.db2.gz HKNUJIRUVQCBJX-CLJLJLNGSA-N 1 0 439.628 6.320 1 0 IKAFRO CC[C@H](C)[NH2+]C[C@H](O)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O ZINC000027883600 563047873 /nfs/dbraw/zinc/04/78/73/563047873.db2.gz DZABGEDDISFDRN-UGKGYDQZSA-N 1 0 443.543 5.255 1 0 IKAFRO CN(C(=O)Cc1cccc2sccc21)[C@@H]1CCCC[C@H]1[N@H+](C)CCc1cccs1 ZINC000027895710 563048193 /nfs/dbraw/zinc/04/81/93/563048193.db2.gz CWPJYANXESXODC-FGZHOGPDSA-N 1 0 426.651 5.449 1 0 IKAFRO O=C1NCN(c2ccccc2)C12CC[NH+](C1CCCCCCCCCCCCCC1)CC2 ZINC000027904021 563048485 /nfs/dbraw/zinc/04/84/85/563048485.db2.gz TWCNPRKIXIASRN-UHFFFAOYSA-N 1 0 439.688 6.259 1 0 IKAFRO O=C(Nc1ccc(Cl)c(Cl)c1)NC1CC[NH+](CCc2c[nH]c3ccccc23)CC1 ZINC000027985429 563048751 /nfs/dbraw/zinc/04/87/51/563048751.db2.gz DYXYTQZYROYOMJ-UHFFFAOYSA-N 1 0 431.367 5.303 1 0 IKAFRO CCCCCCN[C@H](c1ccc(OC)cc1)[C@@H]([NH2+]CCCCCC)c1ccc(OC)cc1 ZINC000027986118 563048904 /nfs/dbraw/zinc/04/89/04/563048904.db2.gz YTXIOYFUSXVJGV-HNRBIFIRSA-N 1 0 440.672 6.826 1 0 IKAFRO CSc1sc(C(N)=[NH2+])cc1-c1csc(Nc2ccc(C3CCCCC3)cc2)n1 ZINC000027999735 563049167 /nfs/dbraw/zinc/04/91/67/563049167.db2.gz NELHQWBZKJRQAS-UHFFFAOYSA-N 1 0 428.652 6.669 1 0 IKAFRO CC(C)CCC[C@@H](C)[C@@H]1CC[NH2+][C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000028003635 563049400 /nfs/dbraw/zinc/04/94/00/563049400.db2.gz CNEDFRRZBUGSJK-HMOJIJANSA-N 1 0 443.760 7.367 1 0 IKAFRO CSc1sc(C(N)=[NH2+])cc1-c1csc(Nc2ccc(Cc3ccccc3)cc2)n1 ZINC000028012831 563049746 /nfs/dbraw/zinc/04/97/46/563049746.db2.gz MUJFCLDCVTWHPO-UHFFFAOYSA-N 1 0 436.631 6.212 1 0 IKAFRO COc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc3ccccc3c2)CCC[C@H]1C[NH+](C)C ZINC000028091654 563050306 /nfs/dbraw/zinc/05/03/06/563050306.db2.gz REGOWQYAGCTQPJ-FQEVSTJZSA-N 1 0 448.588 5.022 1 0 IKAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2c(C)onc2-c2ccc(Cl)cc2)C1C(=O)OCC ZINC000028091949 563050339 /nfs/dbraw/zinc/05/03/39/563050339.db2.gz VCENJVXHCPXPPN-RWVGPTSPSA-N 1 0 444.915 5.505 1 0 IKAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2c(C)onc2-c2ccccc2Cl)C1C(=O)OCC ZINC000028091859 563050349 /nfs/dbraw/zinc/05/03/49/563050349.db2.gz OVMFQQOCAYEYGH-LCMCWVSWSA-N 1 0 444.915 5.505 1 0 IKAFRO C[N@H+](CC1CC1)[C@@H]1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)C1 ZINC000028119166 563051045 /nfs/dbraw/zinc/05/10/45/563051045.db2.gz HTQACYPZPIQVHN-HHHXNRCGSA-N 1 0 425.576 5.526 1 0 IKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2nccc(C)c2c1OCCCCOc1ccccc1 ZINC000028221310 563051676 /nfs/dbraw/zinc/05/16/76/563051676.db2.gz PFYPVSPZEFZSAB-FQEVSTJZSA-N 1 0 437.584 5.329 1 0 IKAFRO COc1ccc2c(c1)CO[C@H](c1ccccc1)[C@@H]2c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000028336547 563052756 /nfs/dbraw/zinc/05/27/56/563052756.db2.gz DOVSMOALZRRPAR-VSGBNLITSA-N 1 0 429.560 5.573 1 0 IKAFRO O=C1[C@@H](c2ccc(Cl)c(Cl)c2)CC=CCN1[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000028374070 563053859 /nfs/dbraw/zinc/05/38/59/563053859.db2.gz DVTNAPPKBSPOMR-NFBKMPQASA-N 1 0 429.391 5.703 1 0 IKAFRO CCNC(=O)c1ccc(C(c2cccc(F)c2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccoc2)cc1 ZINC000028394796 563054620 /nfs/dbraw/zinc/05/46/20/563054620.db2.gz XHQKGIVCXDJJCO-WMPKNSHKSA-N 1 0 444.550 5.797 1 0 IKAFRO O=C1[C@H](c2ccc(C(F)(F)F)cc2)CC=CCN1[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000028455817 563054664 /nfs/dbraw/zinc/05/46/64/563054664.db2.gz ASGNSBZVWDMQMJ-XZOQPEGZSA-N 1 0 428.498 5.415 1 0 IKAFRO [NH3+]CCCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1cccc2ccccc21 ZINC000028466095 563055300 /nfs/dbraw/zinc/05/53/00/563055300.db2.gz NEGBTPLIYRUDKW-UHFFFAOYSA-N 1 0 441.604 5.653 1 0 IKAFRO CCCC[C@H]1c2c3ccccc3[nH]c2[C@H]2Oc3c4c(ccc3OC)C[C@@H]3[C@H]1[C@@]42CC[N@@H+]3C ZINC000028520515 563055913 /nfs/dbraw/zinc/05/59/13/563055913.db2.gz RJLOZLWGWXBUEL-MCFFQHNPSA-N 1 0 428.576 5.712 1 0 IKAFRO Cc1c2cc(Cl)ccc2sc1S(=O)(=O)n1cc([C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000028523921 563056353 /nfs/dbraw/zinc/05/63/53/563056353.db2.gz JDPOPUCQVIJNNU-HNNXBMFYSA-N 1 0 445.009 5.522 1 0 IKAFRO Cc1cccc(C(=O)Nc2ccccc2NC(=O)OCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000028525651 563056795 /nfs/dbraw/zinc/05/67/95/563056795.db2.gz MKNSUNPJQJTAHI-UHFFFAOYSA-N 1 0 444.535 5.107 1 0 IKAFRO Cc1ccc(S(=O)(=O)n2cc([C@@H]3CC[N@H+](Cc4ccccc4)C3)c3ccccc32)cc1 ZINC000028526105 563056849 /nfs/dbraw/zinc/05/68/49/563056849.db2.gz KADCFEDAPDSNRT-JOCHJYFZSA-N 1 0 430.573 5.176 1 0 IKAFRO CCC(=O)Oc1ccccc1/C=C/C(=O)Oc1cccc([C@]2(CC)CCCC[N@H+](C)C2)c1 ZINC000028526564 563056958 /nfs/dbraw/zinc/05/69/58/563056958.db2.gz AFHPKFWIWTYKKF-QLWPUQSHSA-N 1 0 435.564 5.384 1 0 IKAFRO CCCCCC[C@@H](O)C[NH+]1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 ZINC000028528727 563057278 /nfs/dbraw/zinc/05/72/78/563057278.db2.gz QHBYPQQDZLFCSV-RUZDIDTESA-N 1 0 449.614 6.394 1 0 IKAFRO O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(-c2cccs2)c1 ZINC000028529215 563057287 /nfs/dbraw/zinc/05/72/87/563057287.db2.gz AWAXPOLEGZALIG-FQEVSTJZSA-N 1 0 430.495 5.438 1 0 IKAFRO O=C(N[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1)c1cccc(-c2cccs2)c1 ZINC000028529619 563057367 /nfs/dbraw/zinc/05/73/67/563057367.db2.gz JGCWMKASUYCMGE-IBGZPJMESA-N 1 0 446.494 5.318 1 0 IKAFRO CC[NH+](CC)CCC[C@@H](C)Nc1nc(-c2ccc(O)cc2)cc(-c2ccc(OC)cc2)n1 ZINC000028530660 563057583 /nfs/dbraw/zinc/05/75/83/563057583.db2.gz KBZVHGLVTYLEEG-LJQANCHMSA-N 1 0 434.584 5.447 1 0 IKAFRO Cc1cc(N(C)CC[NH+](C)C)nc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc12 ZINC000028570125 563059016 /nfs/dbraw/zinc/05/90/16/563059016.db2.gz MTPRCFWBPJTYBZ-UHFFFAOYSA-N 1 0 438.575 5.460 1 0 IKAFRO Cc1cccc(C)c1Nc1ncc(-c2ccc(OCC[NH+]3CCCC3)cc2)n2cncc12 ZINC000028642463 563060492 /nfs/dbraw/zinc/06/04/92/563060492.db2.gz DKCHQSQIPABWFR-UHFFFAOYSA-N 1 0 427.552 5.231 1 0 IKAFRO O=C(CCC[NH+]1CCN(Cc2ccccc2)CC1)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000028647187 563060872 /nfs/dbraw/zinc/06/08/72/563060872.db2.gz UIWATRPYPJGZGZ-UHFFFAOYSA-N 1 0 440.802 5.183 1 0 IKAFRO O=C(Nc1ccc(F)c(Cl)c1)N(CC[NH+]1CCCC1)[C@H]1CC=C(c2cccnc2)CC1 ZINC000028650206 563061062 /nfs/dbraw/zinc/06/10/62/563061062.db2.gz XRKKPQCDVNMDGA-NRFANRHFSA-N 1 0 442.966 5.440 1 0 IKAFRO O=C(Nc1ccc(Oc2ccccc2)cc1)NC1CC[NH+](CC2=CCCCCCC2)CC1 ZINC000028708503 563062261 /nfs/dbraw/zinc/06/22/61/563062261.db2.gz XAEAVYKECCXTFL-UHFFFAOYSA-N 1 0 433.596 6.345 1 0 IKAFRO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(NC(=O)Nc3cc(F)cc(C(F)(F)F)c3)CC1)=CC2 ZINC000028708714 563062338 /nfs/dbraw/zinc/06/23/38/563062338.db2.gz UUKPEFZKFTUGFE-YWZLYKJASA-N 1 0 439.497 5.423 1 0 IKAFRO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(NC(=O)Nc3cccc(OC(F)(F)F)c3)CC1)=CC2 ZINC000028708679 563062356 /nfs/dbraw/zinc/06/23/56/563062356.db2.gz KSTPUYRHIGGZRH-JXFKEZNVSA-N 1 0 437.506 5.164 1 0 IKAFRO Cc1ccc(NC(=O)C(C)C)cc1C1CC[NH+](CCCNC(=O)[C@H](C)c2ccccc2)CC1 ZINC000028710185 563062488 /nfs/dbraw/zinc/06/24/88/563062488.db2.gz NJJVZQKTUZLDJG-JOCHJYFZSA-N 1 0 449.639 5.079 1 0 IKAFRO Cc1ccc(Oc2cccc(C[NH+]3CCC(c4cccc(NC(=O)C(C)C)c4)CC3)c2)cc1 ZINC000028710576 563062648 /nfs/dbraw/zinc/06/26/48/563062648.db2.gz XVSVZEAYULOQSI-UHFFFAOYSA-N 1 0 442.603 6.761 1 0 IKAFRO CC(C)c1nc2ccc(-c3ccccc3Cl)cc2c(=O)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000028713643 563063221 /nfs/dbraw/zinc/06/32/21/563063221.db2.gz CRUHNOUIHGMRQX-IBGZPJMESA-N 1 0 438.015 5.961 1 0 IKAFRO CC(C)[NH+](CC[C@@]1(c2ccccc2)C(=O)N=C(c2ccccc2)N2CCCC[C@@H]21)C(C)C ZINC000028755236 563063268 /nfs/dbraw/zinc/06/32/68/563063268.db2.gz XCXQFLGDQYOVKM-NAKRPHOHSA-N 1 0 431.624 5.275 1 0 IKAFRO CC(C)[NH+](CC[C@@]1(c2ccc(-c3ccccc3)cc2)C(=O)N=CN2CCCC[C@H]21)C(C)C ZINC000028755835 563063377 /nfs/dbraw/zinc/06/33/77/563063377.db2.gz QPPJEWFQDRVZEN-XCZPVHLTSA-N 1 0 431.624 5.523 1 0 IKAFRO CCCN[C@@H](c1c(Cl)cccc1Cl)[C@@H]([NH2+]CCC)c1c(Cl)cccc1Cl ZINC000028764735 563064031 /nfs/dbraw/zinc/06/40/31/563064031.db2.gz ACPHZMSCUDSHAY-PMACEKPBSA-N 1 0 434.238 7.082 1 0 IKAFRO CC[NH+](CC)CCC[C@H](C)Nc1nc2ccccc2c(Nc2ccc(Cl)c(Cl)c2)n1 ZINC000028771898 563064459 /nfs/dbraw/zinc/06/44/59/563064459.db2.gz VXORJMAHBRYZDV-INIZCTEOSA-N 1 0 446.426 6.603 1 0 IKAFRO C/C(=C\C[n+]1cn(C)c2ncnc(N)c21)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000028816716 563064660 /nfs/dbraw/zinc/06/46/60/563064660.db2.gz MFTWBNLVZQNBIL-ZBWFQAOJSA-N 1 0 428.689 6.223 1 0 IKAFRO CC[NH+](CC)CCC[C@H](C)Nc1ncc2ncn(Cc3ccc(Cl)cc3Cl)c2n1 ZINC000028817836 563064775 /nfs/dbraw/zinc/06/47/75/563064775.db2.gz UMYNYJMAPDEHIX-HNNXBMFYSA-N 1 0 435.403 5.104 1 0 IKAFRO COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCC[N@@H+]1CCCC[C@H]1C ZINC000028819842 563065187 /nfs/dbraw/zinc/06/51/87/563065187.db2.gz SEHYKDKJFNZRFG-OAHLLOKOSA-N 1 0 449.378 5.416 1 0 IKAFRO COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCC[N@@H+]1CCC[C@H](C)C1 ZINC000028819836 563065236 /nfs/dbraw/zinc/06/52/36/563065236.db2.gz PDPHGOYIBMEXMB-HNNXBMFYSA-N 1 0 449.378 5.273 1 0 IKAFRO CCC[N@H+](CCCCc1c[nH]c2ccc(F)cc12)[C@H]1COc2c(ccc3ncccc32)C1 ZINC000028821574 563065477 /nfs/dbraw/zinc/06/54/77/563065477.db2.gz GWEJVOZVKXCEIR-JOCHJYFZSA-N 1 0 431.555 5.894 1 0 IKAFRO [NH3+]Cc1ccc(CN(C/C=C/c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)cc1 ZINC000028826260 563066469 /nfs/dbraw/zinc/06/64/69/563066469.db2.gz ANPURGCLFHDOSR-JXMROGBWSA-N 1 0 437.587 5.692 1 0 IKAFRO COc1cc(C[NH+]2CCC(Nc3nc4ccccc4s3)CC2)c(OC)c2ccccc12 ZINC000028827105 563066565 /nfs/dbraw/zinc/06/65/65/563066565.db2.gz SHNBMBLWIDSPMR-UHFFFAOYSA-N 1 0 433.577 5.543 1 0 IKAFRO COc1ccc(C[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000028827100 563066580 /nfs/dbraw/zinc/06/65/80/563066580.db2.gz XCZZAQJAATWEHZ-UHFFFAOYSA-N 1 0 444.554 5.309 1 0 IKAFRO Oc1ccc(-c2ccc(-c3cc(Nc4ccc(C[NH+]5CCCCC5)nc4)n[nH]3)cc2)c(O)c1 ZINC000028868343 563067391 /nfs/dbraw/zinc/06/73/91/563067391.db2.gz IGJLHXDDOCFAPF-UHFFFAOYSA-N 1 0 441.535 5.279 1 0 IKAFRO O=C(NCCCCN1CCC[N@@H+](C(c2ccccc2)c2ccccc2)CC1)c1cccs1 ZINC000028869842 563067412 /nfs/dbraw/zinc/06/74/12/563067412.db2.gz FQXALFLSCOKUML-UHFFFAOYSA-N 1 0 447.648 5.055 1 0 IKAFRO C[NH+](C)[C@@H]1C=CC2=CC3=CC[C@@]4(C)[C@@H](CC[C@@H]4c4ccc5ccncc5c4)[C@@]34CC[C@]2(C1)O4 ZINC000028872592 563067564 /nfs/dbraw/zinc/06/75/64/563067564.db2.gz FJXAOLJCOASQTL-VHNXJUCRSA-N 1 0 438.615 6.183 1 0 IKAFRO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c2cc(-c3cccc(F)c3)oc21 ZINC000028877977 563067733 /nfs/dbraw/zinc/06/77/33/563067733.db2.gz DWQCDOMWXOBJOF-UHFFFAOYSA-N 1 0 447.506 5.823 1 0 IKAFRO CC[N@H+](CCC1CC1)Cc1c(C)nc2n1c1cccnc1n2-c1c(C)cc(C)cc1Cl ZINC000028903755 563069222 /nfs/dbraw/zinc/06/92/22/563069222.db2.gz CNNNXILIEROLAZ-UHFFFAOYSA-N 1 0 436.003 5.874 1 0 IKAFRO Cc1nc2n(c3cccnc3n2-c2c(C)cc(C)cc2C)c1C[NH+](CC1CC1)CC1CC1 ZINC000028903723 563069248 /nfs/dbraw/zinc/06/92/48/563069248.db2.gz PBRDZEJFSDJXDB-UHFFFAOYSA-N 1 0 427.596 5.529 1 0 IKAFRO CC(C)[NH2+]Cc1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc6ccccc65)cc43)nc21 ZINC000028950071 563069513 /nfs/dbraw/zinc/06/95/13/563069513.db2.gz NTRCIHPFGKPYRR-UHFFFAOYSA-N 1 0 433.519 5.214 1 0 IKAFRO Fc1ccc([C@@H](c2ccccc2)c2c(OCC[NH+]3CCCC3)ccc3ccccc32)cc1 ZINC000028955576 563070177 /nfs/dbraw/zinc/07/01/77/563070177.db2.gz LSUQXCGHACQRNU-MUUNZHRXSA-N 1 0 425.547 6.634 1 0 IKAFRO CC[NH+](CC)CCOc1ccc2ccccc2c1[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000028955512 563070183 /nfs/dbraw/zinc/07/01/83/563070183.db2.gz UOSZFWBJEZLLIS-MUUNZHRXSA-N 1 0 444.018 7.394 1 0 IKAFRO Cc1n[nH]c2c1c(=O)n(C[C@@H](F)C[NH3+])c1cc(C3CCCCC3)c(C3CCCCC3)cc21 ZINC000028957086 563070419 /nfs/dbraw/zinc/07/04/19/563070419.db2.gz IHIQFZIHZGMOLT-IBGZPJMESA-N 1 0 438.591 5.578 1 0 IKAFRO CCCCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C[NH+](C)C)ccn32)n1 ZINC000028963570 563070869 /nfs/dbraw/zinc/07/08/69/563070869.db2.gz RDTAVBQNSLUERJ-UHFFFAOYSA-N 1 0 446.574 5.651 1 0 IKAFRO CN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1C[NH+]1CCCC1)c1ccc2ccccc2c1 ZINC000029042510 563072194 /nfs/dbraw/zinc/07/21/94/563072194.db2.gz ADUBKELDHZMPAG-IZLXSDGUSA-N 1 0 441.619 5.147 1 0 IKAFRO Cc1ccc2scc(CC(=O)N3CCC[C@H](c4ccccc4)[C@@H]3C[NH+]3CCCC3)c2c1 ZINC000029042906 563072226 /nfs/dbraw/zinc/07/22/26/563072226.db2.gz LTGGFYHDQGKFSS-NOZRDPDXSA-N 1 0 432.633 5.623 1 0 IKAFRO CC[C@@]1(CCCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c2ccccc2NC1=O ZINC000029053270 563073166 /nfs/dbraw/zinc/07/31/66/563073166.db2.gz TWTQICWKAXHGTE-RUZDIDTESA-N 1 0 426.004 5.323 1 0 IKAFRO CC[C@]1(CCCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c2ccccc2NC1=O ZINC000029053265 563073212 /nfs/dbraw/zinc/07/32/12/563073212.db2.gz TWTQICWKAXHGTE-VWLOTQADSA-N 1 0 426.004 5.323 1 0 IKAFRO CC[C@]1(CCCC[NH+]2CCN(c3ccc(F)c(Cl)c3)CC2)C(=O)Nc2ccccc21 ZINC000029054969 563073425 /nfs/dbraw/zinc/07/34/25/563073425.db2.gz MKAIBBXLYYMCBV-XMMPIXPASA-N 1 0 429.967 5.072 1 0 IKAFRO c1ccc(Nc2n[n+](-c3ccccc3)c(CCCCc3ccc4c(c3)OCO4)s2)cc1 ZINC000029063839 563073754 /nfs/dbraw/zinc/07/37/54/563073754.db2.gz LGHGAGSSQRHLTJ-UHFFFAOYSA-N 1 0 430.553 5.458 1 0 IKAFRO COc1ccc([C@H](c2cccs2)c2ccc(OC[C@@H](O)C[NH+]3CCCCC3)cc2)cc1 ZINC000029131576 563075686 /nfs/dbraw/zinc/07/56/86/563075686.db2.gz XQVYFUMOSPOTPL-NVQXNPDNSA-N 1 0 437.605 5.163 1 0 IKAFRO CC[NH+](CC)Cc1ccc([C@](c2ccccc2)(c2ccc(Cl)cc2)n2ccnc2)cc1 ZINC000029134943 563076062 /nfs/dbraw/zinc/07/60/62/563076062.db2.gz YJIZZBOMVWCSDY-HHHXNRCGSA-N 1 0 429.995 6.219 1 0 IKAFRO Clc1ccc([C@](c2nccs2)(c2ccc(C[NH+]3CCCC3)cc2)n2ccnc2)cc1 ZINC000029135494 563076237 /nfs/dbraw/zinc/07/62/37/563076237.db2.gz WCFYPIUHVQUBEP-DEOSSOPVSA-N 1 0 434.996 5.429 1 0 IKAFRO CC[NH+](CC)CCC[C@H](C)Nc1nc2ccccc2c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000029204567 563076411 /nfs/dbraw/zinc/07/64/11/563076411.db2.gz HKFUHSNUMQZXCB-KRWDZBQOSA-N 1 0 445.533 6.315 1 0 IKAFRO CCc1ccnc2c(N[C@H](C)CCC[NH3+])cc(OC)c(Oc3cccc(C(F)(F)F)c3)c12 ZINC000029346232 563078770 /nfs/dbraw/zinc/07/87/70/563078770.db2.gz CROJRPFCKYANGD-OAHLLOKOSA-N 1 0 447.501 6.156 1 0 IKAFRO COc1ccc(CC[N@H+](C)C/C=C/C2(C(C)C)c3ccccc3-c3ccccc32)cc1OC ZINC000029389790 563078827 /nfs/dbraw/zinc/07/88/27/563078827.db2.gz WLMOCICMFBCNTO-VCHYOVAHSA-N 1 0 441.615 6.357 1 0 IKAFRO CC(=O)c1cccc(NC(=O)NCCC[N@@H+]2CC3(Cc4ccc(F)cc4)CCC2CC3)c1 ZINC000029396927 563079185 /nfs/dbraw/zinc/07/91/85/563079185.db2.gz BOIFMURGRAHYDS-UHFFFAOYSA-N 1 0 437.559 5.027 1 0 IKAFRO C[C@H](C[N@@H+]1CCCC[C@@H]1CCCC1CCCCC1)c1cccc(C(=O)c2ccccc2)c1 ZINC000029404706 563079418 /nfs/dbraw/zinc/07/94/18/563079418.db2.gz QAJDQIPEHMCYPC-FUFSCUOVSA-N 1 0 431.664 7.626 1 0 IKAFRO COc1c2ccoc2c(OC)c(OCC[NH+]2CCCCC2)c1NC(=O)OC1CCCCC1 ZINC000029405169 563079570 /nfs/dbraw/zinc/07/95/70/563079570.db2.gz JPMDTGOFHDMILE-UHFFFAOYSA-N 1 0 446.544 5.196 1 0 IKAFRO N=C(NC(=[NH2+])NCc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1Cl ZINC000029410365 563079816 /nfs/dbraw/zinc/07/98/16/563079816.db2.gz SODQAFMUTPMMAF-UHFFFAOYSA-N 1 0 439.561 5.614 1 0 IKAFRO CCCC[NH+](CCCC)CCCOc1ccc(/C=C/c2nc3cc(C)ccc3s2)cc1 ZINC000029476109 563080793 /nfs/dbraw/zinc/08/07/93/563080793.db2.gz BMZSRHFUYGVFLE-FOWTUZBSSA-N 1 0 436.665 7.446 1 0 IKAFRO CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H]([NH2+]Cc1ccncc1)c1ccccc1 ZINC000029483311 563081257 /nfs/dbraw/zinc/08/12/57/563081257.db2.gz WVAIDDYLIPUXCC-VWLOTQADSA-N 1 0 430.596 5.981 1 0 IKAFRO CC(C)[NH2+]Cc1cccc(/C=C/c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1 ZINC000029483096 563081263 /nfs/dbraw/zinc/08/12/63/563081263.db2.gz VFCRCXFGVONREG-ACCUITESSA-N 1 0 448.929 5.242 1 0 IKAFRO C[C@H](Cn1c2ccccc2nc1NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000029558850 563082175 /nfs/dbraw/zinc/08/21/75/563082175.db2.gz PPKVHBYTSUNEDJ-HSZRJFAPSA-N 1 0 438.619 5.959 1 0 IKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2ncccc2c1Sc1cc(Cl)ccc1Cl ZINC000032290342 563084220 /nfs/dbraw/zinc/08/42/20/563084220.db2.gz BCHIRTCLRJSMPT-CYBMUJFWSA-N 1 0 436.408 6.241 1 0 IKAFRO Cc1cc(C)c2nc3c(c([C@@H](O)[C@H]4CCCC[NH2+]4)c2c1)CC/C3=C\c1ccc(Cl)cc1 ZINC000033849124 563084869 /nfs/dbraw/zinc/08/48/69/563084869.db2.gz RBWRXGUYQAVWHA-QQDBZRBESA-N 1 0 432.995 6.167 1 0 IKAFRO Cc1c2ccccc2n(Cc2ccc(OCC[NH+]3CCCCC3)cc2)c1-c1ccc(O)cc1 ZINC000033965597 563085132 /nfs/dbraw/zinc/08/51/32/563085132.db2.gz VPYBSADPUFKKNQ-UHFFFAOYSA-N 1 0 440.587 6.235 1 0 IKAFRO COc1ccccc1[C@@H](OC[C@H](O)C[NH2+]C(C)(C)Cc1ccc2ccccc2c1)C1CC1 ZINC000034233446 563085836 /nfs/dbraw/zinc/08/58/36/563085836.db2.gz GIOXDGUYBMOVIJ-SQHAQQRYSA-N 1 0 433.592 5.288 1 0 IKAFRO OC(c1ccc(F)cc1)(c1ccc(F)cc1)C1CC[NH+](CCCOc2ccccc2)CC1 ZINC000034289843 563086010 /nfs/dbraw/zinc/08/60/10/563086010.db2.gz ZTPCPGLQHARQTG-UHFFFAOYSA-N 1 0 437.530 5.382 1 0 IKAFRO CC[N@@H+](Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C)CC1CC1 ZINC000034298587 563086022 /nfs/dbraw/zinc/08/60/22/563086022.db2.gz XULKXQDGWXRMRE-UHFFFAOYSA-N 1 0 438.925 5.954 1 0 IKAFRO O=C(Nc1ccc2nc(C[NH+]3CCCC3)ccc2c1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000034350908 563086091 /nfs/dbraw/zinc/08/60/91/563086091.db2.gz MCXDOOMLRVVNIJ-UHFFFAOYSA-N 1 0 425.507 5.889 1 0 IKAFRO [NH3+][C@H](COc1cncc(-c2ccc3[nH]nc(-c4ccc[nH]4)c3c2)c1)Cc1c[nH]c2ccccc12 ZINC000034324287 563086098 /nfs/dbraw/zinc/08/60/98/563086098.db2.gz YIQMXPTWYACPKW-FQEVSTJZSA-N 1 0 448.530 5.050 1 0 IKAFRO CCNC(=O)Nc1cccc(CC2CC[NH+](CCOc3cccc4nc(C)ccc43)CC2)c1 ZINC000034324249 563086128 /nfs/dbraw/zinc/08/61/28/563086128.db2.gz UGTWRNKTBHMJMC-UHFFFAOYSA-N 1 0 446.595 5.018 1 0 IKAFRO O=C(Nc1ccccc1Cl)O[C@H]1C2CC[NH+](CC2)[C@H]1C(c1ccccc1)c1ccccc1 ZINC000034631118 563086621 /nfs/dbraw/zinc/08/66/21/563086621.db2.gz UBMJTPXGHBYFOE-UIOOFZCWSA-N 1 0 446.978 6.183 1 0 IKAFRO C[C@@H]1CC[C@@H](C)[NH+]1CCCOc1ccc(-n2c3ccc(F)cc3nc2-c2ccccn2)cc1 ZINC000034636859 563086692 /nfs/dbraw/zinc/08/66/92/563086692.db2.gz OLAAQSCYHCAGCO-WOJBJXKFSA-N 1 0 444.554 5.868 1 0 IKAFRO O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000034802133 563087583 /nfs/dbraw/zinc/08/75/83/563087583.db2.gz WOYPOZFCHPWOPA-UHFFFAOYSA-N 1 0 445.994 5.273 1 0 IKAFRO O=C1NC(c2ccccc2)(c2ccccc2)CN1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000034802148 563087587 /nfs/dbraw/zinc/08/75/87/563087587.db2.gz KVCMZPILKHYETB-AREMUKBSSA-N 1 0 425.576 5.010 1 0 IKAFRO Cc1cccc(C[NH+]2CCC(N3C[C@](c4ccccc4)(C4CCCCC4)NC3=O)CC2)c1 ZINC000034802124 563087595 /nfs/dbraw/zinc/08/75/95/563087595.db2.gz MRELIADAHWJAPD-NDEPHWFRSA-N 1 0 431.624 5.460 1 0 IKAFRO CSc1ccccc1N1Cc2c(nc(C)c(C[NH3+])c2-c2ccc(Cl)cc2Cl)C1=O ZINC000034804408 563087885 /nfs/dbraw/zinc/08/78/85/563087885.db2.gz QTLDSTDJXWDBOP-UHFFFAOYSA-N 1 0 444.387 5.705 1 0 IKAFRO O=c1[nH]c2ccc(-c3cn[nH]c3)cc2cc1-c1cc2cc(C[NH+]3CCC(F)CC3)ccc2[nH]1 ZINC000034804267 563087902 /nfs/dbraw/zinc/08/79/02/563087902.db2.gz ICHOLMVVOUHOKK-UHFFFAOYSA-N 1 0 441.510 5.000 1 0 IKAFRO CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000034984449 563088593 /nfs/dbraw/zinc/08/85/93/563088593.db2.gz NYFXIMCEKNFZKB-SANMLTNESA-N 1 0 442.603 5.170 1 0 IKAFRO CCCC(=O)N1CCC([NH2+]Cc2ccc(NC(=O)c3ccccc3C)c3ccccc23)CC1 ZINC000035242522 563089529 /nfs/dbraw/zinc/08/95/29/563089529.db2.gz ICGHIKITHSJYDX-UHFFFAOYSA-N 1 0 443.591 5.281 1 0 IKAFRO O=C(Nc1ccccc1Cl)O[C@@H]1C2CC[NH+](CC2)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000035820521 563089994 /nfs/dbraw/zinc/08/99/94/563089994.db2.gz UBMJTPXGHBYFOE-CLJLJLNGSA-N 1 0 446.978 6.183 1 0 IKAFRO FC(F)(F)c1cc(COC[C@@]2(c3ccccc3)CCC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000035818962 563090002 /nfs/dbraw/zinc/09/00/02/563090002.db2.gz QLXHEEVESGWCHN-HXUWFJFHSA-N 1 0 431.420 5.952 1 0 IKAFRO FC(F)(F)c1cccc(N2CC[NH+](CCCCNc3nccc4ccccc43)CC2)c1 ZINC000035801959 563090033 /nfs/dbraw/zinc/09/00/33/563090033.db2.gz KFWSEMIBLPIBOC-UHFFFAOYSA-N 1 0 428.502 5.268 1 0 IKAFRO Cc1ccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CC[NH2+]CC3)n2)cc1 ZINC000036127110 563091262 /nfs/dbraw/zinc/09/12/62/563091262.db2.gz MYXXRVIYUKHKPI-UHFFFAOYSA-N 1 0 429.499 5.171 1 0 IKAFRO C[NH+](C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(NCC(C)(C)C)n1 ZINC000036160910 563091481 /nfs/dbraw/zinc/09/14/81/563091481.db2.gz SEUAGPYRVMNDGJ-UHFFFAOYSA-N 1 0 432.547 5.117 1 0 IKAFRO O=C(NCc1ccccc1)Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@@H+](CC1CC1)CC3 ZINC000036221691 563092083 /nfs/dbraw/zinc/09/20/83/563092083.db2.gz VSBFHNWLJXFFTK-OROMBRFGSA-N 1 0 430.592 5.444 1 0 in-vivo IKAFRO O=C(NCc1ccccc1)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](CC1CCC1)CC3 ZINC000036221708 563092150 /nfs/dbraw/zinc/09/21/50/563092150.db2.gz VTNMTWBEHGIRGV-BOSLPAGOSA-N 1 0 444.619 5.834 1 0 in-vivo IKAFRO CC(C)C[C@H]([NH3+])c1cc(F)ccc1N1CCN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000036285825 563092462 /nfs/dbraw/zinc/09/24/62/563092462.db2.gz YUFHFXQMTLZCJK-MBSDFSHPSA-N 1 0 446.010 5.052 1 0 IKAFRO Cc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(c2ccccc2[C@@H]([NH3+])CC(C)C)CC1 ZINC000036285792 563092476 /nfs/dbraw/zinc/09/24/76/563092476.db2.gz AYSIBBJRBGIMSJ-YKSBVNFPSA-N 1 0 442.047 5.222 1 0 IKAFRO C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OCCC(c2ccccc2)c2ccccc2)C1 ZINC000036270776 563092480 /nfs/dbraw/zinc/09/24/80/563092480.db2.gz QZJCKWFHBYEESM-RRPNLBNLSA-N 1 0 448.006 6.141 1 0 IKAFRO C[NH2+]C[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000036324302 563092735 /nfs/dbraw/zinc/09/27/35/563092735.db2.gz ALIXCTQWFWWYNZ-VDGAXYAQSA-N 1 0 431.420 6.023 1 0 IKAFRO CCCc1cc(N2CCC2)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2[nH+]1 ZINC000036351780 563093336 /nfs/dbraw/zinc/09/33/36/563093336.db2.gz OUEVVRHUJPXHLA-KPKJPENVSA-N 1 0 439.481 6.068 1 0 IKAFRO CCOc1cc(OCC)cc(C(=O)NC2CC[NH+](Cc3ccc4ccccc4c3)CC2)c1 ZINC000036351822 563093421 /nfs/dbraw/zinc/09/34/21/563093421.db2.gz VFOOFCIVGVEOCK-UHFFFAOYSA-N 1 0 432.564 5.032 1 0 IKAFRO O=C1[C@H](Cc2ccccc2)[NH2+]C/C=C\C[C@@H](c2ccc(Cl)cc2)N1Cc1ccccc1 ZINC000036382903 563094113 /nfs/dbraw/zinc/09/41/13/563094113.db2.gz SXRUKDFHOAYOJQ-DEVNVCHMSA-N 1 0 430.979 5.571 1 0 IKAFRO O=C1[C@H](Cc2ccccc2)[NH2+]CCCC[C@@H](c2ccc(Cl)cc2)N1Cc1ccccc1 ZINC000036382913 563094119 /nfs/dbraw/zinc/09/41/19/563094119.db2.gz CTMLSBZWEYRJQJ-UIOOFZCWSA-N 1 0 432.995 5.795 3 0 IKAFRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1C(F)(F)F)c1cccc2ccccc21 ZINC000036476026 563095381 /nfs/dbraw/zinc/09/53/81/563095381.db2.gz DUFMYNUMKOAUFA-UOKFIYJESA-N 1 0 440.509 6.250 1 0 IKAFRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c(Cl)c1)c1cccc2ccccc21 ZINC000036476021 563095433 /nfs/dbraw/zinc/09/54/33/563095433.db2.gz PMYMENPPVGYIAN-NAKSJZFLSA-N 1 0 441.402 6.538 1 0 IKAFRO CCC[N@H+](CCCCNc1ccnc2cc(Cl)ccc21)Cc1c(F)cccc1OC ZINC000036474296 563095440 /nfs/dbraw/zinc/09/54/40/563095440.db2.gz PHGNXDJTAZLWNF-UHFFFAOYSA-N 1 0 429.967 6.140 1 0 IKAFRO CCCc1cc(NC2CC2)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2[nH+]1 ZINC000038149838 563096619 /nfs/dbraw/zinc/09/66/19/563096619.db2.gz XONNPPGYQWZTEN-AWNIVKPZSA-N 1 0 439.481 6.432 1 0 IKAFRO C[NH+](C)CC1=Cc2ccc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)cc2CC1 ZINC000038149699 563096644 /nfs/dbraw/zinc/09/66/44/563096644.db2.gz PBLFIAGNVFEMPX-UHFFFAOYSA-N 1 0 447.991 5.659 1 0 IKAFRO C/C=C/C[N@H+]1CC[C@@H](N(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)[C@@H](C)C1 ZINC000038156728 563096887 /nfs/dbraw/zinc/09/68/87/563096887.db2.gz HHHAZGZTYBCEPX-QDLRQAPESA-N 1 0 435.612 5.299 1 0 IKAFRO C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C(=O)c6ccncc6)CC[C@]5(C)[C@H]4CC[C@]23C[N@@H+]1C ZINC000038226426 563097024 /nfs/dbraw/zinc/09/70/24/563097024.db2.gz SIAZZAOZIXBLFV-YRAUUYEASA-N 1 0 447.667 5.415 1 0 IKAFRO CC(C)N1CN(c2ccccc2)C2(CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000038428938 563097775 /nfs/dbraw/zinc/09/77/75/563097775.db2.gz XUXIHOIDTQZHEK-UHFFFAOYSA-N 1 0 439.603 5.325 1 0 IKAFRO Cc1ccc2c(cccc2OCC[NH+]2CCC(Cc3cccc(-c4cccnc4)c3)CC2)n1 ZINC000038480415 563097950 /nfs/dbraw/zinc/09/79/50/563097950.db2.gz GNFIDANQKZLHQF-UHFFFAOYSA-N 1 0 437.587 5.939 1 0 IKAFRO c1ccc(C(CC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1 ZINC000038639950 563098085 /nfs/dbraw/zinc/09/80/85/563098085.db2.gz CLZJJBZJUIWHJT-UHFFFAOYSA-N 1 0 446.638 6.616 1 0 in-vivo IKAFRO Cc1c(Br)c(C(F)F)sc1C[NH2+]CCCNc1nc2cscc2[nH]1 ZINC000038805030 563098374 /nfs/dbraw/zinc/09/83/74/563098374.db2.gz QTRXSZTWZPDQBH-UHFFFAOYSA-N 1 0 435.363 5.286 1 0 IKAFRO CC(C)Sc1nc2ccccc2n1C1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC000039438251 563099203 /nfs/dbraw/zinc/09/92/03/563099203.db2.gz UAKGJGUDONHBET-UHFFFAOYSA-N 1 0 439.600 5.976 1 0 IKAFRO C[C@H](C[N@@H+]1CCCC[C@@H]1CC1CCCCC1)c1cccc([C@H](O)c2cccc(Cl)c2)c1 ZINC000039643436 563099273 /nfs/dbraw/zinc/09/92/73/563099273.db2.gz URFNYEBRYIPPSY-FQNJNTOFSA-N 1 0 440.071 7.350 1 0 IKAFRO O=C1C[C@@H](C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)Cc2oc(-c3ccccc3)cc21 ZINC000040391678 563099857 /nfs/dbraw/zinc/09/98/57/563099857.db2.gz VMIRJSPUFWFFPK-QGZVFWFLSA-N 1 0 444.506 5.852 1 0 IKAFRO COc1ccc(N2CCc3c2[nH+]ccc3-n2ccc(-c3nccs3)n2)c(C(F)F)c1 ZINC000040392927 563100120 /nfs/dbraw/zinc/10/01/20/563100120.db2.gz ZBVHAUOJYMRZHW-UHFFFAOYSA-N 1 0 425.464 5.031 1 0 IKAFRO [NH3+]C[C@H](NC(=O)c1cc(-c2ccccc2)c(-c2ccnc3[nH]ccc32)s1)c1ccccc1 ZINC000040408980 563101506 /nfs/dbraw/zinc/10/15/06/563101506.db2.gz NOROMZLDWXCWKI-QFIPXVFZSA-N 1 0 438.556 5.388 1 0 IKAFRO Brc1ccc(-c2nsc3cc(OCCCC[NH+]4CCOCC4)ccc32)cc1 ZINC000040420993 563102257 /nfs/dbraw/zinc/10/22/57/563102257.db2.gz HPERNTFNLJVDCD-UHFFFAOYSA-N 1 0 447.398 5.217 1 0 IKAFRO c1ccc(CNc2cc(CCc3cccc4ccccc43)[nH+]c(NCc3ccccc3)n2)cc1 ZINC000040422473 563102377 /nfs/dbraw/zinc/10/23/77/563102377.db2.gz AYELBUZRKFXXMX-UHFFFAOYSA-N 1 0 444.582 6.639 1 0 IKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2ncccc2c1Oc1ccc(OC(F)(F)F)cc1 ZINC000040465292 563103841 /nfs/dbraw/zinc/10/38/41/563103841.db2.gz GPYNHNKADRCOBF-CQSZACIVSA-N 1 0 435.446 5.474 1 0 IKAFRO CC(C)(C)c1cc(C=CC=C2C=C(C(C)(C)C)SC(C(C)(C)C)=C2)cc(C(C)(C)C)[o+]1 ZINC000040465255 563103882 /nfs/dbraw/zinc/10/38/82/563103882.db2.gz KWGCBUFAILUPGZ-FYWRMAATSA-N 1 0 439.729 9.454 1 0 IKAFRO O=C1NC[C@H](c2ccc(F)cc2)C12CC[NH+](C1(c3ccc(F)cc3)CCCCCC1)CC2 ZINC000040565682 563104859 /nfs/dbraw/zinc/10/48/59/563104859.db2.gz RDRVJQLAEXTGRZ-XMMPIXPASA-N 1 0 438.562 5.510 1 0 IKAFRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000040766924 563106655 /nfs/dbraw/zinc/10/66/55/563106655.db2.gz NSFZDYBBKDKESR-PKKBDPGCSA-N 1 0 443.012 5.434 1 0 IKAFRO O=C(Nc1cccc(OCc2ccc(-c3c(F)cc(F)cc3F)cc2)c1)C1CC[NH2+]CC1 ZINC000040845801 563107446 /nfs/dbraw/zinc/10/74/46/563107446.db2.gz WLQYOEWLVPBLRE-UHFFFAOYSA-N 1 0 440.465 5.288 1 0 IKAFRO C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C(=O)c6ccccc6)CC[C@]5(C)[C@H]4CC[C@]23C[N@@H+]1C ZINC000040848882 563107870 /nfs/dbraw/zinc/10/78/70/563107870.db2.gz TTZKMXJRVUDQEX-HKUZGXNYSA-N 1 0 446.679 6.020 1 0 IKAFRO COc1cccc(C2(CNC(=O)Nc3c(C(C)C)cccc3C(C)C)CC[NH+](C)CC2)c1 ZINC000040864801 563108629 /nfs/dbraw/zinc/10/86/29/563108629.db2.gz XKFNBMQIZDHRGF-UHFFFAOYSA-N 1 0 437.628 5.727 1 0 IKAFRO c1ccc2c(c1)c1ccccc1n2CCCC[NH+]1CCN(CCCC2CCCCC2)CC1 ZINC000040867147 563108949 /nfs/dbraw/zinc/10/89/49/563108949.db2.gz WCORUVBXFPSZRY-UHFFFAOYSA-N 1 0 431.668 6.553 1 0 IKAFRO [NH3+]C1(c2ccccc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040875236 563109356 /nfs/dbraw/zinc/10/93/56/563109356.db2.gz ZXQRFYDNLYVWDD-NJEHHLDASA-N 1 0 437.414 6.564 1 0 IKAFRO CCOC(=O)[C@](CCC[N@H+](C)CCCc1nc2ccccc2[nH]1)(c1ccccc1)C(C)C ZINC000040879283 563109635 /nfs/dbraw/zinc/10/96/35/563109635.db2.gz PVDJWOVUBFJXRE-MHZLTWQESA-N 1 0 435.612 5.365 1 0 IKAFRO COc1ccc2c(c1)OCCC(c1ccc(O)cc1)=C2c1ccc(OCC[NH+]2CCC2)cc1 ZINC000040894446 563110288 /nfs/dbraw/zinc/11/02/88/563110288.db2.gz GCBFPUAODJOKRS-UHFFFAOYSA-N 1 0 443.543 5.227 1 0 IKAFRO Fc1ccc2c(c1)OCCC(c1ccccc1)=C2c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000040894866 563110334 /nfs/dbraw/zinc/11/03/34/563110334.db2.gz BSPFIIPEVRUTTR-UHFFFAOYSA-N 1 0 429.535 6.042 1 0 IKAFRO Oc1ccc(C2=C(c3ccc(OCC[NH+]4CCCC4)cc3)c3ccc(F)cc3OCC2)cc1 ZINC000040895089 563110379 /nfs/dbraw/zinc/11/03/79/563110379.db2.gz BSVZGMIZZFSSFC-UHFFFAOYSA-N 1 0 445.534 5.748 1 0 IKAFRO O=C(CCCCC[NH+]1CCN(c2ccccc2-c2ccccc2)CC1)NCc1ccccc1 ZINC000040954055 563114366 /nfs/dbraw/zinc/11/43/66/563114366.db2.gz LQFAQQWXFSOOQJ-UHFFFAOYSA-N 1 0 441.619 5.352 1 0 in-vivo IKAFRO c1ccc(CCc2cc(NCc3cccc4ccccc43)nc(NCc3ccccc3)[nH+]2)cc1 ZINC000040955238 563114574 /nfs/dbraw/zinc/11/45/74/563114574.db2.gz WVYCMENSPOEWTC-UHFFFAOYSA-N 1 0 444.582 6.639 1 0 IKAFRO Clc1cccc(N2CC[NH+](CCCCCOc3cc4ccccc4cn3)CC2)c1Cl ZINC000040955299 563114683 /nfs/dbraw/zinc/11/46/83/563114683.db2.gz KPLQQMQZQUMPCN-UHFFFAOYSA-N 1 0 444.406 5.913 1 0 IKAFRO Clc1cccc(N2CC[NH+](CCCCOc3ccc4cccnc4c3)CC2)c1Cl ZINC000040973903 563115089 /nfs/dbraw/zinc/11/50/89/563115089.db2.gz FUOMYSOASQSWCG-UHFFFAOYSA-N 1 0 430.379 5.523 1 0 IKAFRO O[C@@]12CCCC[C@@]13CC[N@H+](CC1CCC1)[C@@H]2Cc1ccc(OCCc2ccccc2)cc13 ZINC000040979496 563115588 /nfs/dbraw/zinc/11/55/88/563115588.db2.gz JGMKSFHRPUGTJG-SSBOKUKZSA-N 1 0 431.620 5.282 1 0 IKAFRO C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)C[N@@H+]2C ZINC000042887592 563115936 /nfs/dbraw/zinc/11/59/36/563115936.db2.gz RPNUGHPOPSPHKR-XMSHHSNWSA-N 1 0 427.673 5.629 1 0 IKAFRO O=C1Cc2ccccc2N1Cc1cccc(C[NH+]2CCN(c3cccc4ccccc43)CC2)c1 ZINC000042888733 563116011 /nfs/dbraw/zinc/11/60/11/563116011.db2.gz XNXNUDBDHIHMLW-UHFFFAOYSA-N 1 0 447.582 5.251 1 0 IKAFRO Cn1c(C[NH2+]C2CCCC2)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1Cl ZINC000042989894 563116356 /nfs/dbraw/zinc/11/63/56/563116356.db2.gz XOHSYVVYPQWYLA-UHFFFAOYSA-N 1 0 434.798 6.747 1 0 IKAFRO C[N@H+](CC1CCCCC1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000043014423 563116768 /nfs/dbraw/zinc/11/67/68/563116768.db2.gz LSOVNGNFKVHURS-UHFFFAOYSA-N 1 0 434.603 5.705 1 0 IKAFRO CC(C)NC(=[NH2+])c1ccc2cc(-c3ccc(OCCCCOc4ccccc4)cc3)oc2c1 ZINC000043014067 563116774 /nfs/dbraw/zinc/11/67/74/563116774.db2.gz SYAFEXKEFRKGSS-UHFFFAOYSA-N 1 0 442.559 6.661 1 0 IKAFRO c1c2cc(C3=[NH+]CCN3)ccc2oc1-c1ccc(OCCCCOc2ccccc2)cc1 ZINC000043018773 563117061 /nfs/dbraw/zinc/11/70/61/563117061.db2.gz QZACDRUXHJSTBH-UHFFFAOYSA-N 1 0 426.516 5.688 1 0 IKAFRO NC(=[NH2+])c1ccc2oc(-c3ccc(OCCCCCCOc4ccccc4)cc3)cc2c1 ZINC000043070070 563118012 /nfs/dbraw/zinc/11/80/12/563118012.db2.gz JXAQJUUXYRIHHE-UHFFFAOYSA-N 1 0 428.532 6.402 1 0 IKAFRO CCCCCC[N@@H+]1CCCN(Cc2ccc(C(=O)Nc3ccc(CCC)cc3)cc2)CC1 ZINC000045167517 563122332 /nfs/dbraw/zinc/12/23/32/563122332.db2.gz JNPYESGGSLQFEI-UHFFFAOYSA-N 1 0 435.656 5.979 1 0 IKAFRO CN(C)c1ccc(-c2ccc(C(=O)NC3CC[NH+](Cc4ccc(F)cc4)CC3)s2)cc1 ZINC000045167251 563122366 /nfs/dbraw/zinc/12/23/66/563122366.db2.gz IZGFZYBPONKRSQ-UHFFFAOYSA-N 1 0 437.584 5.015 1 0 IKAFRO O=C(NCCCCC[NH+]1CCC(c2ccc(O)cc2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000045167612 563122453 /nfs/dbraw/zinc/12/24/53/563122453.db2.gz ACGMJEKYQLZUMI-UHFFFAOYSA-N 1 0 442.603 5.839 1 0 IKAFRO CCC[C@H](C)Nc1nc(N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(C)cc2)cc(C)[nH+]1 ZINC000045167787 563122470 /nfs/dbraw/zinc/12/24/70/563122470.db2.gz MPYVVKMSBMNIBL-RDPSFJRHSA-N 1 0 445.611 5.034 1 0 IKAFRO CCN(CCC[NH+]1CCCCC1)c1cc(C)nc(Nc2cc(C(F)(F)F)ccc2C)n1 ZINC000045168600 563122648 /nfs/dbraw/zinc/12/26/48/563122648.db2.gz OZGNLHCHVWHYHA-UHFFFAOYSA-N 1 0 435.538 5.558 1 0 IKAFRO O=C(NCC1CCC(C[NH2+]CCc2ccccc2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000045168711 563122669 /nfs/dbraw/zinc/12/26/69/563122669.db2.gz AEEGNZRWZHBPJS-UHFFFAOYSA-N 1 0 434.411 5.754 1 0 IKAFRO NC(=O)c1cccc(C[NH2+]Cc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)c1 ZINC000045169065 563122760 /nfs/dbraw/zinc/12/27/60/563122760.db2.gz GXVXYMYECJNPMG-UHFFFAOYSA-N 1 0 432.527 5.286 1 0 IKAFRO C[C@@H](Cc1ccc(-c2nc3ccccc3[nH]2)cc1)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000045187638 563122900 /nfs/dbraw/zinc/12/29/00/563122900.db2.gz BYNSWCDLIMZIJX-HJPURHCSSA-N 1 0 439.481 5.503 1 0 IKAFRO C[C@H](Cc1ccc(-c2nc3ccccc3[nH]2)cc1)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000045187640 563122901 /nfs/dbraw/zinc/12/29/01/563122901.db2.gz BYNSWCDLIMZIJX-MWTRTKDXSA-N 1 0 439.481 5.503 1 0 IKAFRO CC(C)c1ccc(NC(=O)c2ccc(C(=O)N[C@H]3CC[N@H+](CC4CCCCC4)C3)cc2)cc1 ZINC000045187626 563122917 /nfs/dbraw/zinc/12/29/17/563122917.db2.gz OMFVWFCAPZAQKA-SANMLTNESA-N 1 0 447.623 5.447 1 0 IKAFRO Fc1ccc(Nc2ccnc3cc(-c4cccc(C[NH+]5CCCCC5)c4)ccc32)c(Cl)c1 ZINC000045189208 563123255 /nfs/dbraw/zinc/12/32/55/563123255.db2.gz AYAKYRPJCQZBLG-UHFFFAOYSA-N 1 0 445.969 7.424 1 0 IKAFRO O=C(/C=C/c1cccs1)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045190194 563123447 /nfs/dbraw/zinc/12/34/47/563123447.db2.gz BGIVYCCDKQTTJJ-VAWYXSNFSA-N 1 0 447.648 5.797 1 0 IKAFRO C[C@H](Cc1ccc(Sc2ccccc2)cc1)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000045190246 563123489 /nfs/dbraw/zinc/12/34/89/563123489.db2.gz DIRLRUINXUWWAZ-UZUQRXQVSA-N 1 0 431.523 6.111 1 0 IKAFRO c1ccc(CC[NH2+]Cc2cccc(-c3ccc(CNc4ccc5ncccc5c4)cc3)c2)cc1 ZINC000045191107 563123551 /nfs/dbraw/zinc/12/35/51/563123551.db2.gz ZRRIQGFYEXEWTF-UHFFFAOYSA-N 1 0 443.594 6.846 1 0 IKAFRO COC(=O)c1cccc(C[NH2+]Cc2cccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)c2)c1 ZINC000045191839 563123721 /nfs/dbraw/zinc/12/37/21/563123721.db2.gz SZLQEZOVOLCFQQ-UHFFFAOYSA-N 1 0 447.538 5.973 1 0 IKAFRO O=C1CCCN1CCC[NH2+]Cc1ccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)cc1 ZINC000045192973 563124013 /nfs/dbraw/zinc/12/40/13/563124013.db2.gz IIOMBQIUJYHZOM-UHFFFAOYSA-N 1 0 442.538 5.138 1 0 IKAFRO O=C(Nc1ccc(Cl)cc1)c1ccc(CN2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000045195459 563124420 /nfs/dbraw/zinc/12/44/20/563124420.db2.gz GVMRZPFPVIVRSB-UHFFFAOYSA-N 1 0 440.031 5.680 1 0 IKAFRO C[C@@H](Cc1ccc(OCCOc2ccccc2)cc1)[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000045196405 563124570 /nfs/dbraw/zinc/12/45/70/563124570.db2.gz GGNSYIUTZWUVQY-UQBPGWFLSA-N 1 0 425.956 5.052 1 0 IKAFRO C[C@@H](Cc1ccc(OCCOc2ccccc2)cc1)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000045196399 563124597 /nfs/dbraw/zinc/12/45/97/563124597.db2.gz GGNSYIUTZWUVQY-DFBJGRDBSA-N 1 0 425.956 5.052 1 0 IKAFRO Cc1ccc(/C=C/C(=O)NC2CCC([NH+]3CCC(c4ccccc4C)CC3)CC2)cc1F ZINC000045201421 563124686 /nfs/dbraw/zinc/12/46/86/563124686.db2.gz GMWLPAPOWLNECZ-NTEUORMPSA-N 1 0 434.599 5.763 1 0 IKAFRO O=C1Nc2cccc3c2[C@]1(CCCC[NH+]1CCC(c2cc4ccncc4[nH]2)CC1)CCC3 ZINC000045201320 563124714 /nfs/dbraw/zinc/12/47/14/563124714.db2.gz JNMSVQKCNBLZIL-MHZLTWQESA-N 1 0 428.580 5.139 1 0 IKAFRO [NH3+][C@@H]1CCN(Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)C1 ZINC000045202093 563124926 /nfs/dbraw/zinc/12/49/26/563124926.db2.gz OEIBHBZHJLETLH-OAQYLSRUSA-N 1 0 436.481 5.449 1 0 IKAFRO Cc1cc(N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)nc(NCC2CCCCC2)[nH+]1 ZINC000045202261 563124959 /nfs/dbraw/zinc/12/49/59/563124959.db2.gz CTFUFHORHZVDMR-DEOSSOPVSA-N 1 0 443.595 5.439 1 0 IKAFRO Cc1[nH]c2cc(F)ccc2c1C1=CC[N@H+](CCCC[C@@]2(C)c3ccccc3NC2=O)CC1 ZINC000045202373 563124967 /nfs/dbraw/zinc/12/49/67/563124967.db2.gz MBBSWYDLJARDFZ-MHZLTWQESA-N 1 0 431.555 5.785 1 0 IKAFRO C[C@]1(CCCC[NH+]2CCC(c3c[nH]c4cnccc43)CC2)C(=O)Nc2cccc(Cl)c21 ZINC000045202746 563125010 /nfs/dbraw/zinc/12/50/10/563125010.db2.gz FANVJTHERLEFBY-RUZDIDTESA-N 1 0 436.987 5.476 1 0 IKAFRO Cn1nc(-c2cccc(C[NH2+][C@@H]3CCc4ccccc43)c2)c2cnc(NC3CCCC3)nc21 ZINC000045202862 563125116 /nfs/dbraw/zinc/12/51/16/563125116.db2.gz ZXJAWQRMIYVOKP-XMMPIXPASA-N 1 0 438.579 5.162 1 0 IKAFRO Cc1cccc2[nH]c(-c3ccc(-c4ccc(C[NH2+]CCCN5CCCC5=O)cc4)s3)nc21 ZINC000045203007 563125141 /nfs/dbraw/zinc/12/51/41/563125141.db2.gz LGDIRLCUNFEYJF-UHFFFAOYSA-N 1 0 444.604 5.369 1 0 IKAFRO CCC[NH2+]CCc1ccc(NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3)c2)cc1 ZINC000045211024 563125312 /nfs/dbraw/zinc/12/53/12/563125312.db2.gz HMYZHYZPCPJAFR-UHFFFAOYSA-N 1 0 428.985 5.350 1 0 IKAFRO COc1ccccc1C1CC[NH+](C2CCC(NC(=O)c3cc4ccccc4[nH]3)CC2)CC1 ZINC000045210624 563125328 /nfs/dbraw/zinc/12/53/28/563125328.db2.gz XZHIRYLLXNALKS-UHFFFAOYSA-N 1 0 431.580 5.097 1 0 IKAFRO O=C(Nc1ccc(Cl)cc1)c1ccc(C[N@H+]2CCCN(Cc3cccc(O)c3)CC2)cc1 ZINC000045211226 563125365 /nfs/dbraw/zinc/12/53/65/563125365.db2.gz OMFZIXUTMGLNHE-UHFFFAOYSA-N 1 0 449.982 5.006 1 0 IKAFRO CC(C)c1ccc(NC(=O)c2cccc(CN3CCC[N@H+](CC4CCCCC4)CC3)c2)cc1 ZINC000045227551 563125611 /nfs/dbraw/zinc/12/56/11/563125611.db2.gz DBGWRFDUBSVTME-UHFFFAOYSA-N 1 0 447.667 6.150 1 0 IKAFRO CCCC[N@@H+]1CC[C@@H](CC[C@H](O)c2cc(OCCC)nc3ccc(OC)cc32)[C@@H](CC)C1 ZINC000045228191 563125615 /nfs/dbraw/zinc/12/56/15/563125615.db2.gz NAMCTIVEBSSCFX-UZINWLIJSA-N 1 0 442.644 5.994 1 0 IKAFRO CCC[N@@H+]1CCC=C(c2cccc(Nc3nccc(Nc4cc(OC)ccc4C)n3)c2)C1 ZINC000045227708 563125622 /nfs/dbraw/zinc/12/56/22/563125622.db2.gz IXCRNKCVTDMWCO-UHFFFAOYSA-N 1 0 429.568 5.780 1 0 IKAFRO CC(C)(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(-c3cccc(C(F)(F)F)c3)cs2)C1 ZINC000045228188 563125645 /nfs/dbraw/zinc/12/56/45/563125645.db2.gz JMWNJNCWIFNPPX-INIZCTEOSA-N 1 0 438.559 5.922 1 0 IKAFRO CN1CCC[N@H+](Cc2ccc(-c3cccc(NC(=O)c4ccc(Cl)cc4)c3)cc2)CC1 ZINC000045228468 563125725 /nfs/dbraw/zinc/12/57/25/563125725.db2.gz HVKWBDKOIKYIIG-UHFFFAOYSA-N 1 0 433.983 5.397 1 0 IKAFRO CC(C)CC[N@@H+]1CC[C@@H](Oc2ccc(NC(=O)c3ccc4ncccc4c3)cc2Cl)C1 ZINC000045228498 563125741 /nfs/dbraw/zinc/12/57/41/563125741.db2.gz JYPOPVDYXQMKTE-OAQYLSRUSA-N 1 0 437.971 5.640 1 0 IKAFRO Oc1ccc(CC[NH2+]Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 ZINC000045228655 563125760 /nfs/dbraw/zinc/12/57/60/563125760.db2.gz WMDFRTDGJCZTOK-UHFFFAOYSA-N 1 0 439.555 5.883 1 0 IKAFRO Cc1ccc(CNC(=O)[C@H](CC(C)C)Nc2cc(C)[nH+]c(NCC3CCCCC3)n2)cc1 ZINC000045229325 563125846 /nfs/dbraw/zinc/12/58/46/563125846.db2.gz IOUDKBPYRXBZCW-QHCPKHFHSA-N 1 0 437.632 5.229 1 0 IKAFRO C[NH+]1CCN(c2ccc(-c3cc(-c4ccncc4)c(-c4ccc(Cl)c(O)c4)o3)cc2)CC1 ZINC000045231200 563126186 /nfs/dbraw/zinc/12/61/86/563126186.db2.gz NGFHEDSOVGLBHE-UHFFFAOYSA-N 1 0 445.950 5.786 1 0 IKAFRO CCC[C@@H](CNc1cc(=O)c2ccccc2[nH]1)C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000045231093 563126191 /nfs/dbraw/zinc/12/61/91/563126191.db2.gz VIGDXNBPKKRDTF-QGZVFWFLSA-N 1 0 433.474 5.045 1 0 IKAFRO O=C(C[NH2+]CCNc1ccnc2cc(Cl)ccc21)N(c1ccccc1)c1ccccc1 ZINC000045253618 563126937 /nfs/dbraw/zinc/12/69/37/563126937.db2.gz SWGLORZHZJPCPC-UHFFFAOYSA-N 1 0 430.939 5.255 1 0 IKAFRO C[NH+](C)CC[C@@H](NC(=O)c1ccc(-c2ccc3ccccc3c2)cc1)c1ccc(Cl)cc1 ZINC000045286033 563128265 /nfs/dbraw/zinc/12/82/65/563128265.db2.gz FFUFKLCLQGPCRM-HHHXNRCGSA-N 1 0 442.990 6.583 1 0 IKAFRO C[NH+](C)CC[C@@H](NC(=O)c1cccc(-c2ccc3ccccc3c2)c1)c1ccc(Cl)cc1 ZINC000045286713 563128353 /nfs/dbraw/zinc/12/83/53/563128353.db2.gz JBMJUKFNCFTHQA-HHHXNRCGSA-N 1 0 442.990 6.583 1 0 IKAFRO C[NH+](C)CC[C@H](NC(=O)c1cccc(-c2ccc(Cl)cc2)c1)c1ccc2ccccc2c1 ZINC000045288000 563128566 /nfs/dbraw/zinc/12/85/66/563128566.db2.gz GVPOEILTRKNVMH-MHZLTWQESA-N 1 0 442.990 6.583 1 0 IKAFRO C[N@@H+]1CC[C@@H](Oc2cc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2Cl)C1 ZINC000045301402 563129206 /nfs/dbraw/zinc/12/92/06/563129206.db2.gz UFDAKJBNFZVFBG-CYBMUJFWSA-N 1 0 448.272 5.739 1 0 IKAFRO CCCCC[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C=C2C1=CC[N@H+](Cc2ccccc2)CC1 ZINC000045301776 563129294 /nfs/dbraw/zinc/12/92/94/563129294.db2.gz RVTTYHSALMSRNP-JOCHJYFZSA-N 1 0 445.647 7.463 1 0 IKAFRO COc1ccc(-c2ccc(C(=O)N[C@@H](CC[NH+](C)C)c3ccc4ccccc4c3)cc2)cc1 ZINC000045302227 563129377 /nfs/dbraw/zinc/12/93/77/563129377.db2.gz FGUKIDJCMKJULI-NDEPHWFRSA-N 1 0 438.571 5.938 1 0 IKAFRO CCCCCC[N@@H+]1CCCN(Cc2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)CC1 ZINC000045302149 563129383 /nfs/dbraw/zinc/12/93/83/563129383.db2.gz KNFBZZPLYUVTJW-UHFFFAOYSA-N 1 0 429.555 5.305 1 0 IKAFRO CCc1ccc(C[NH+]2CCC(CN(C(=O)c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045302295 563129518 /nfs/dbraw/zinc/12/95/18/563129518.db2.gz VLPSTRUFIWYOTC-UHFFFAOYSA-N 1 0 447.022 6.461 1 0 IKAFRO O=C(NC1CCC(CC[N@@H+]2Cc3cccc(F)c3C2)CC1)c1cccc(-c2cccnc2)c1 ZINC000045302581 563129581 /nfs/dbraw/zinc/12/95/81/563129581.db2.gz KDZNBXCDLMGGAX-UHFFFAOYSA-N 1 0 443.566 5.582 1 0 IKAFRO CCCCC/C=C/C(=O)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045322006 563130263 /nfs/dbraw/zinc/13/02/63/563130263.db2.gz ILYNWWAGGLJLET-IZZDOVSWSA-N 1 0 435.656 6.159 1 0 IKAFRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3cc(-c4ccccc4F)cs3)C2)cc1 ZINC000045322087 563130280 /nfs/dbraw/zinc/13/02/80/563130280.db2.gz KNYWTMDGRGSBNL-FQEVSTJZSA-N 1 0 436.596 5.930 1 0 IKAFRO CC(C)C[NH2+]Cc1cccc(-c2ccc(CNc3ccc(C(=O)c4ccccc4)cc3)cc2)c1 ZINC000045322276 563130382 /nfs/dbraw/zinc/13/03/82/563130382.db2.gz ONSGXSFISMYTKA-UHFFFAOYSA-N 1 0 448.610 6.942 1 0 IKAFRO O=C(Nc1ccc2c(c1)CC[N@H+](C1CCC1)CC2)c1ccc(-c2cn3ccccc3n2)cc1 ZINC000045323053 563130561 /nfs/dbraw/zinc/13/05/61/563130561.db2.gz NGZSLPGAWXSMDN-UHFFFAOYSA-N 1 0 436.559 5.207 1 0 IKAFRO Clc1cc2[nH]c(C[NH2+][C@H]3CCC[C@@H]3CNc3nc4ccccc4[nH]3)cc2c(Cl)c1 ZINC000045323013 563130563 /nfs/dbraw/zinc/13/05/63/563130563.db2.gz ISOWOIXRSRWJHE-ACJLOTCBSA-N 1 0 428.367 5.721 1 0 IKAFRO COc1ccccc1-c1csc(C(=O)NC[C@H]2CC[N@H+](Cc3ccc(C(C)C)cc3)C2)c1 ZINC000045324036 563130737 /nfs/dbraw/zinc/13/07/37/563130737.db2.gz GACHOAGHMGEPQC-OAQYLSRUSA-N 1 0 448.632 5.799 1 0 IKAFRO COc1ccccc1-c1csc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(C(C)C)cc3)C2)c1 ZINC000045324040 563130820 /nfs/dbraw/zinc/13/08/20/563130820.db2.gz GACHOAGHMGEPQC-NRFANRHFSA-N 1 0 448.632 5.799 1 0 IKAFRO Cc1c(Br)c(C(F)F)sc1C[NH2+]CCCNc1nc2ccccc2[nH]1 ZINC000045335087 563131259 /nfs/dbraw/zinc/13/12/59/563131259.db2.gz RFPVXVPZHCTBPK-UHFFFAOYSA-N 1 0 429.334 5.225 1 0 IKAFRO COc1cccc(-c2csc(C(=O)NC[C@@H]3CC[N@H+](Cc4ccc(C(C)C)cc4)C3)c2)c1 ZINC000045335393 563131285 /nfs/dbraw/zinc/13/12/85/563131285.db2.gz PVIYXJOTFNUKQR-NRFANRHFSA-N 1 0 448.632 5.799 1 0 IKAFRO CN(C)c1ccc(-c2cccc3c2CC[C@H]2[C@H]3c3cc(O)c(Cl)cc3CC[N@@H+]2C)cc1 ZINC000045355728 563132604 /nfs/dbraw/zinc/13/26/04/563132604.db2.gz KMTWVLYZPPJEHR-AHKZPQOWSA-N 1 0 432.995 5.713 1 0 IKAFRO NC(=[NH2+])c1cc2c(cccc2O[C@@H](COC(=O)Nc2cccc(F)c2)c2ccccc2)s1 ZINC000045358243 563132810 /nfs/dbraw/zinc/13/28/10/563132810.db2.gz NRJUHSKIBKTANM-FQEVSTJZSA-N 1 0 449.507 5.693 1 0 IKAFRO C[C@H](CCCCOCCc1ccccc1)[NH2+]C[C@@H](O)c1cc(Cl)c(N)c(Cl)c1 ZINC000045357981 563132825 /nfs/dbraw/zinc/13/28/25/563132825.db2.gz SGNYRPBAZJEXOO-IIBYNOLFSA-N 1 0 425.400 5.017 1 0 IKAFRO OC1(c2ccc(Cl)cc2)CC[NH+](CCO[C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000045357879 563132836 /nfs/dbraw/zinc/13/28/36/563132836.db2.gz WZEIKAWGDAAIIE-VWLOTQADSA-N 1 0 439.958 5.569 1 0 IKAFRO NC(=[NH2+])c1cc2c(cccc2O[C@@H](COC(=O)Nc2ccccc2F)c2ccccc2)s1 ZINC000045384266 563133730 /nfs/dbraw/zinc/13/37/30/563133730.db2.gz JBMZFGZQZPOAGJ-FQEVSTJZSA-N 1 0 449.507 5.693 1 0 IKAFRO Cc1ccccc1NC(=O)OC[C@@H](Oc1cccc2sc(C(N)=[NH2+])cc21)c1ccccc1 ZINC000045387530 563133924 /nfs/dbraw/zinc/13/39/24/563133924.db2.gz ABVQGTJUWOIMBS-OAQYLSRUSA-N 1 0 445.544 5.863 1 0 IKAFRO NC(=[NH2+])c1cc2c(cccc2O[C@@H](COC(=O)NCc2ccccc2)c2ccccc2)s1 ZINC000045391163 563134052 /nfs/dbraw/zinc/13/40/52/563134052.db2.gz LYTDWOOGBXMQGQ-NRFANRHFSA-N 1 0 445.544 5.232 1 0 IKAFRO CC1(C)C[C@H]([NH3+])c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1 ZINC000049035100 563136193 /nfs/dbraw/zinc/13/61/93/563136193.db2.gz JQSKLRZZZNTNOZ-IBGZPJMESA-N 1 0 433.766 6.937 1 0 IKAFRO [NH3+][C@@H]1CCc2c(c3cc(OCCc4ccc(O)cc4)ccc3n2CCCc2ccccc2)C1 ZINC000049087977 563137987 /nfs/dbraw/zinc/13/79/87/563137987.db2.gz WYTDNCFQYUGZDI-HSZRJFAPSA-N 1 0 440.587 5.417 1 0 IKAFRO [NH3+][C@H]1CCc2c(c3cc(OCCc4ccc(O)cc4)ccc3n2CCCc2ccccc2)C1 ZINC000049087975 563137992 /nfs/dbraw/zinc/13/79/92/563137992.db2.gz WYTDNCFQYUGZDI-QHCPKHFHSA-N 1 0 440.587 5.417 1 0 IKAFRO O=C(Nc1ccccc1)N(c1ccc(Br)cc1)C1CC[NH+](C2CCCC2)CC1 ZINC000049111792 563138244 /nfs/dbraw/zinc/13/82/44/563138244.db2.gz BFGRVRCTCWRWNN-UHFFFAOYSA-N 1 0 442.401 5.895 1 0 IKAFRO CC(C)c1ccc(Sc2ccc(-c3ccc(CCC([NH3+])(CO)CO)cc3)c(F)c2)cc1 ZINC000049114453 563138647 /nfs/dbraw/zinc/13/86/47/563138647.db2.gz FEWJBZZKCUOITP-UHFFFAOYSA-N 1 0 439.596 5.382 1 0 IKAFRO Nc1cc(Oc2ccc(Nc3ncccc3C(=O)Nc3ccc(Cl)cc3)cc2F)cc[nH+]1 ZINC000049115524 563138775 /nfs/dbraw/zinc/13/87/75/563138775.db2.gz PUJUGGZAAHMVAS-UHFFFAOYSA-N 1 0 449.873 5.640 1 0 IKAFRO CCC[N@@H+](Cc1c(C(F)(F)F)nc2n1CCCN2c1c(C)cc(C)cc1C)CC1CCC1 ZINC000049125032 563138859 /nfs/dbraw/zinc/13/88/59/563138859.db2.gz JIKDNVBBGMVNNF-UHFFFAOYSA-N 1 0 448.577 6.381 1 0 IKAFRO CC1=CC2=[NH+]C[C@@H](C(=O)c3ccc(OCc4ccc(Br)cc4)cc3)CN2C=C1 ZINC000049803155 563140033 /nfs/dbraw/zinc/14/00/33/563140033.db2.gz SPWVURCRHXSCLI-LJQANCHMSA-N 1 0 437.337 5.015 1 0 IKAFRO CC1=CC2=[NH+]C[C@H](C(=O)c3ccc(OCc4ccc(Br)cc4)cc3)CN2C=C1 ZINC000049803154 563140043 /nfs/dbraw/zinc/14/00/43/563140043.db2.gz SPWVURCRHXSCLI-IBGZPJMESA-N 1 0 437.337 5.015 1 0 IKAFRO CC1=C2C[C@H]3[C@@H](CC[C@@H]4Cc5n[nH]cc5C[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)C[NH2+][C@H]1[C@H]2C ZINC000049867690 563140396 /nfs/dbraw/zinc/14/03/96/563140396.db2.gz CJGYNKHTIHLQLI-HHVFAUIBSA-N 1 0 449.683 5.449 1 0 IKAFRO COc1ccc(/C=C2\C[N@H+](C)C[C@H]3C2=NN(c2ccccc2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000052603517 563140828 /nfs/dbraw/zinc/14/08/28/563140828.db2.gz ZGZNFZMNAFLLAL-GRDZPNQDSA-N 1 0 439.559 5.266 1 0 IKAFRO CC1=C2C[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)C[NH2+][C@H]1[C@H]2C ZINC000052566048 563140844 /nfs/dbraw/zinc/14/08/44/563140844.db2.gz DBIRHIDQCYQDSK-VZFPRVOMSA-N 1 0 425.657 5.680 1 0 IKAFRO O=C(CNc1ccc(Cl)c(Cl)c1)N1CCC[C@H](c2ccccc2)[C@@H]1C[NH+]1CCCC1 ZINC000053025990 563140941 /nfs/dbraw/zinc/14/09/41/563140941.db2.gz MWPLJFCGBAZNPA-OFNKIYASSA-N 1 0 446.422 5.276 1 0 IKAFRO Cc1ncc(C[NH+]2CCC(C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)CC2)s1 ZINC000053201277 563141105 /nfs/dbraw/zinc/14/11/05/563141105.db2.gz BPQALJZGAUTGLW-UHFFFAOYSA-N 1 0 432.549 5.110 1 0 IKAFRO CO[C@H]1Cc2sc(C(=O)c3ccccc3)cc2C2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000053298358 563141972 /nfs/dbraw/zinc/14/19/72/563141972.db2.gz VTJNWFYEYUNIJC-XMMPIXPASA-N 1 0 433.573 5.016 1 0 IKAFRO O=C(NCCCC[N@H+]1CC[C@@H]2c3cccc(O)c3CC[C@H]21)c1ccc(-c2ccccc2)cc1 ZINC000058494529 563143594 /nfs/dbraw/zinc/14/35/94/563143594.db2.gz CYBHGHQYVGGXRB-XNMGPUDCSA-N 1 0 440.587 5.374 1 0 IKAFRO Clc1cccc(N2CC[NH+](CCCCNc3ccc4ccccc4n3)CC2)c1Cl ZINC000058582407 563145140 /nfs/dbraw/zinc/14/51/40/563145140.db2.gz KFOXMHFDNRTETJ-UHFFFAOYSA-N 1 0 429.395 5.556 1 0 IKAFRO Cc1c(C[NH+]2CCCC2)cc(-c2ccc(C)cc2)n1Nc1ccnc2cc(Cl)ccc21 ZINC000058590766 563145415 /nfs/dbraw/zinc/14/54/15/563145415.db2.gz GXGMHNVEWJKKAT-UHFFFAOYSA-N 1 0 430.983 5.866 1 0 IKAFRO C[NH+](C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(/C=C/c3ccc(Cl)cc3)ccc21 ZINC000058655446 563145965 /nfs/dbraw/zinc/14/59/65/563145965.db2.gz RAYIEESUEYVCGS-XDQXPFRXSA-N 1 0 435.970 6.765 1 0 IKAFRO Cc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)ccc1N1CC[C@@H]([N@H+]2CCC[C@@H]2C)C1 ZINC000059260217 563146477 /nfs/dbraw/zinc/14/64/77/563146477.db2.gz RHEVIGLLTLURAQ-HRAATJIYSA-N 1 0 447.410 6.009 1 0 IKAFRO [NH3+][C@H](Cc1ccc(Cl)cc1)c1csc(Nc2ccc(C(=O)c3ccccc3)cc2)n1 ZINC000061897077 563147503 /nfs/dbraw/zinc/14/75/03/563147503.db2.gz WBFSORXEGIHBOK-OAQYLSRUSA-N 1 0 433.964 6.014 3 0 IKAFRO CC(=O)c1cc2cccc(O[C@]3(C)CC[N@H+](Cc4ccc(-c5ccccn5)cc4)C3)c2o1 ZINC000061907733 563148886 /nfs/dbraw/zinc/14/88/86/563148886.db2.gz BNZVULXUJTVIDV-HHHXNRCGSA-N 1 0 426.516 5.741 3 0 IKAFRO COc1ccc(C[C@H]([NH3+])c2csc(NC(=O)C(c3ccccc3)c3ccccc3)n2)cc1 ZINC000061908484 563148989 /nfs/dbraw/zinc/14/89/89/563148989.db2.gz BSTUJGAMPLCRPN-QFIPXVFZSA-N 1 0 443.572 5.165 3 0 IKAFRO COc1ccc([C@H](NC(=O)C2CC[NH+](CCCc3ccccc3)CC2)c2cccs2)cc1 ZINC000061926979 563150039 /nfs/dbraw/zinc/15/00/39/563150039.db2.gz NOUMVLRCHJEPFW-SANMLTNESA-N 1 0 448.632 5.307 3 0 IKAFRO C[C@@]1(Oc2cnc(Cl)c3ccccc23)CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000061928289 563150320 /nfs/dbraw/zinc/15/03/20/563150320.db2.gz WVQCRCMIKQLUBN-OAQYLSRUSA-N 1 0 436.861 5.830 3 0 IKAFRO COc1ccccc1-c1sc2ccccc2c1-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000061944891 563151114 /nfs/dbraw/zinc/15/11/14/563151114.db2.gz YMSXBMKZFMDQFV-UHFFFAOYSA-N 1 0 443.612 7.109 3 0 IKAFRO COc1cccc(-c2sc3ccccc3c2-c2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000061947948 563151561 /nfs/dbraw/zinc/15/15/61/563151561.db2.gz IMTMODWBEJMQJA-UHFFFAOYSA-N 1 0 443.612 7.109 3 0 IKAFRO CC[NH+](CC)CCCNC(=O)c1nccc2c3ccccc3n(CCCc3ccccc3)c21 ZINC000064446507 563153046 /nfs/dbraw/zinc/15/30/46/563153046.db2.gz WCAHAYWSXDWDIM-UHFFFAOYSA-N 1 0 442.607 5.284 1 0 IKAFRO Cc1c(F)cccc1Cc1c(C(=O)N2CC[NH2+]CC2)c2ccccc2n1C1CCCCC1 ZINC000064511967 563154030 /nfs/dbraw/zinc/15/40/30/563154030.db2.gz AIDQCXHHEVKKHM-UHFFFAOYSA-N 1 0 433.571 5.230 1 0 IKAFRO Cc1ccc2cc(C[NH2+]CCc3ccc(Br)cc3)c(-c3ccsc3)nc2c1 ZINC000064539397 563155073 /nfs/dbraw/zinc/15/50/73/563155073.db2.gz WPRVNTRKFSNNGT-UHFFFAOYSA-N 1 0 437.406 6.367 1 0 IKAFRO NC(=O)c1cnc(N[C@H]2CCC[NH2+]C2)c2cc(-c3ccc(Oc4ccccc4)cc3)sc21 ZINC000064559392 563156018 /nfs/dbraw/zinc/15/60/18/563156018.db2.gz UAGWTAMFBPJAMU-KRWDZBQOSA-N 1 0 444.560 5.018 1 0 IKAFRO O[C@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2)CCc2cc(OCc3ccccc3)ccc21 ZINC000064559937 563156154 /nfs/dbraw/zinc/15/61/54/563156154.db2.gz FYYPECHDWYQIST-PMERELPUSA-N 1 0 435.567 6.024 1 0 IKAFRO Fc1ccc(-c2ncn([C@H]3CC[N@H+](Cc4ccccc4)C3)c2-c2ccc3n[nH]cc3c2)cc1 ZINC000066073646 563157224 /nfs/dbraw/zinc/15/72/24/563157224.db2.gz PJNPAVYZHHPABL-DEOSSOPVSA-N 1 0 437.522 5.680 1 0 IKAFRO COc1cccc(-c2c(OC)cc(N[C@H](C)CCC[NH3+])c3nc(C(F)(F)F)cc(C)c32)c1 ZINC000066100440 563158157 /nfs/dbraw/zinc/15/81/57/563158157.db2.gz PLTHUKGRKMRLSR-OAHLLOKOSA-N 1 0 447.501 5.786 1 0 IKAFRO COc1cc(C)c2c(n1)c(N[C@@H](C)CCC[NH3+])cc(OC)c2-c1ccc(C(F)(F)F)cc1 ZINC000066100870 563158272 /nfs/dbraw/zinc/15/82/72/563158272.db2.gz CQGCXPDDBFPBNO-HNNXBMFYSA-N 1 0 447.501 5.786 1 0 IKAFRO COc1cccc(C[NH+]2CCC(CCC(=O)c3cc4ccn5c4c(c3)CCC5=O)CC2)c1 ZINC000066102370 563158476 /nfs/dbraw/zinc/15/84/76/563158476.db2.gz GJEHCITUSPVLLH-UHFFFAOYSA-N 1 0 430.548 5.111 1 0 IKAFRO CC(C)(C)OC(=O)NCCCCCCCC[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000066104934 563158750 /nfs/dbraw/zinc/15/87/50/563158750.db2.gz SCVMTZYTXXDAJT-UHFFFAOYSA-N 1 0 431.665 5.148 1 0 IKAFRO c1ccc(-[n+]2nn(C34CC5CC(CC(C5)C3)C4)nc2SC23CC4CC(CC(C4)C2)C3)cc1 ZINC000066156642 563159660 /nfs/dbraw/zinc/15/96/60/563159660.db2.gz YTRXRRBNILJEKX-UHFFFAOYSA-N 1 0 447.672 5.541 1 0 IKAFRO CC(=O)c1cccc(-c2ccc(-c3ccnc(NC4CC(C)(C)[NH2+]C(C)(C)C4)n3)s2)c1 ZINC000066251903 563159971 /nfs/dbraw/zinc/15/99/71/563159971.db2.gz IELXLWNEZYRKKF-UHFFFAOYSA-N 1 0 434.609 5.796 1 0 IKAFRO CC1(C)CC(Nc2nccc(-c3ccc(-c4ccc(Cl)cc4)s3)n2)CC(C)(C)[NH2+]1 ZINC000066258967 563160428 /nfs/dbraw/zinc/16/04/28/563160428.db2.gz LAHPSXBSTPZZAU-UHFFFAOYSA-N 1 0 427.017 6.247 1 0 IKAFRO O=C(NC1CC[NH+]([C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1)c1ccccc1 ZINC000072101503 563162702 /nfs/dbraw/zinc/16/27/02/563162702.db2.gz YEORLIJMLHGUGF-QHCPKHFHSA-N 1 0 439.481 5.084 1 0 IKAFRO CC(C)n1cc([C@@H]([NH2+]C2CCN(c3ccc(C(F)(F)F)cc3)CC2)c2cccnc2)cn1 ZINC000072101627 563162711 /nfs/dbraw/zinc/16/27/11/563162711.db2.gz JYIINAOHSJZMKC-QHCPKHFHSA-N 1 0 443.517 5.226 1 0 IKAFRO CC(C)n1cc([C@H]([NH2+]C2CCN(c3ccc(C(F)(F)F)cc3)CC2)c2cccnc2)cn1 ZINC000072101626 563162751 /nfs/dbraw/zinc/16/27/51/563162751.db2.gz JYIINAOHSJZMKC-HSZRJFAPSA-N 1 0 443.517 5.226 1 0 IKAFRO Cc1[nH]c2ccc(Cl)cc2c1-c1ccnc(Nc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000072109897 563163313 /nfs/dbraw/zinc/16/33/13/563163313.db2.gz NJHWAIFJPXUVQO-UHFFFAOYSA-N 1 0 432.959 5.082 1 0 IKAFRO CC1=Nc2ccc(-c3cc4ccccc4o3)cc2[C@H](c2ccccc2)N1CC[NH+]1CCCCC1 ZINC000072122957 563163968 /nfs/dbraw/zinc/16/39/68/563163968.db2.gz QPUPHEFBIFHKJD-PMERELPUSA-N 1 0 449.598 7.041 1 0 IKAFRO CC1=Nc2ccc(-c3cc4ccccc4o3)cc2[C@@H](c2ccccc2)N1CC[NH+]1CCCCC1 ZINC000072122958 563164017 /nfs/dbraw/zinc/16/40/17/563164017.db2.gz QPUPHEFBIFHKJD-SSEXGKCCSA-N 1 0 449.598 7.041 1 0 IKAFRO CCCCCC[N@@H+]1C[C@H](O)[C@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1c1ccc(C)cc1 ZINC000072135640 563164060 /nfs/dbraw/zinc/16/40/60/563164060.db2.gz NLUWSXLDLFCXDE-CYXNTTPDSA-N 1 0 436.575 5.322 1 0 IKAFRO CC[C@@]1(CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc2NC1=O ZINC000072140990 563164551 /nfs/dbraw/zinc/16/45/51/563164551.db2.gz XYUHOLLIDTYVJU-XMMPIXPASA-N 1 0 445.529 5.298 1 0 IKAFRO Cc1cc(N2CCN(Cc3coc(-c4cccc5ccccc54)n3)CC2)c2ccccc2[nH+]1 ZINC000072182358 563167414 /nfs/dbraw/zinc/16/74/14/563167414.db2.gz VUHQCNNPPPLROU-UHFFFAOYSA-N 1 0 434.543 5.674 1 0 IKAFRO CCN(Cc1coc(-c2ccc(OC(F)(F)F)cc2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072182406 563167422 /nfs/dbraw/zinc/16/74/22/563167422.db2.gz FJBCUMMNSGNIKH-OAQYLSRUSA-N 1 0 445.485 5.337 1 0 IKAFRO COc1ccc(C[NH+]2CCC(N[C@@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)cc1 ZINC000072184446 563167775 /nfs/dbraw/zinc/16/77/75/563167775.db2.gz HCMGEKZAVMNLPW-VWLOTQADSA-N 1 0 439.962 5.226 1 0 IKAFRO FC(F)(F)c1ccc([C@@H](c2cccnc2)[NH+]2CCC(Oc3cccc(Cl)c3)CC2)cc1 ZINC000072186537 563168266 /nfs/dbraw/zinc/16/82/66/563168266.db2.gz IKQCMZKZSSCULQ-QHCPKHFHSA-N 1 0 446.900 6.387 1 0 IKAFRO O=C(c1ccccc1)N1CCC([NH2+][C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072186444 563168304 /nfs/dbraw/zinc/16/83/04/563168304.db2.gz ALAOOQMIFYSRCU-HSZRJFAPSA-N 1 0 439.481 5.084 1 0 IKAFRO Fc1ccc(-c2cc(C3(c4ccccc4)CC[NH+](CCc4ccccc4)CC3)[nH]n2)cc1 ZINC000072317989 563168408 /nfs/dbraw/zinc/16/84/08/563168408.db2.gz WXHYVIHHMRIQQS-UHFFFAOYSA-N 1 0 425.551 5.840 1 0 IKAFRO Cc1cc([C@@H](NC(=O)CC[NH+]2CCC(c3ccccc3)CC2)c2ccc(Cl)cc2)ccn1 ZINC000073163731 563169632 /nfs/dbraw/zinc/16/96/32/563169632.db2.gz NBCDNJZNVVYLHH-MHZLTWQESA-N 1 0 448.010 5.519 1 0 IKAFRO CCCC[NH+](CCCC)C[C@H](O)COc1ccc(F)cc1C(=O)CCc1ccccc1 ZINC000073170100 563169823 /nfs/dbraw/zinc/16/98/23/563169823.db2.gz CRQVVSWYBYPMBU-QHCPKHFHSA-N 1 0 429.576 5.283 1 0 IKAFRO Nc1scc(C[NH+]2CCC(c3ccc(Cl)cc3)CC2)c1C(=O)c1ccc(Cl)cc1 ZINC000073221115 563170564 /nfs/dbraw/zinc/17/05/64/563170564.db2.gz VQGCSQVHKQRFTI-UHFFFAOYSA-N 1 0 445.415 6.248 1 0 IKAFRO CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@H]1CC[NH2+]C[C@H]1c1ccccc1 ZINC000073259095 563171516 /nfs/dbraw/zinc/17/15/16/563171516.db2.gz GKSQDEZTFBLUHC-OALUTQOASA-N 1 0 444.419 5.076 1 0 IKAFRO Fc1ccc(C[NH+]2CCC3(CC2)O[C@H](c2cc(Cl)cc(Cl)c2)c2ccccc23)nc1 ZINC000073292534 563171915 /nfs/dbraw/zinc/17/19/15/563171915.db2.gz LYFUBTNYDVCHTK-HSZRJFAPSA-N 1 0 443.349 6.138 1 0 IKAFRO COc1cc2c3c(c1OC)-c1ccccc1[C@H]([C@H](OC(C)=O)c1ccccc1)[C@H]3[N@H+](C)CC2 ZINC000073373201 563172661 /nfs/dbraw/zinc/17/26/61/563172661.db2.gz IGRKHRUNPPEQNP-GMQQYTKMSA-N 1 0 443.543 5.301 1 0 IKAFRO CC[NH+](CC)CCC[C@H](C)Nc1cc(N)nc2nc(-c3ccco3)c(-c3ccco3)nc12 ZINC000082155220 563173591 /nfs/dbraw/zinc/17/35/91/563173591.db2.gz FEAJAPFPAUYWIC-INIZCTEOSA-N 1 0 434.544 5.049 1 0 IKAFRO O[C@@H](c1ccnc2ccccc21)[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2/C=C/c1ccc(-c2ccccc2)cc1 ZINC000084615991 563174378 /nfs/dbraw/zinc/17/43/78/563174378.db2.gz XAKLQPBPGWOSGA-SERPZFNSSA-N 1 0 446.594 6.359 1 0 IKAFRO NCC[NH2+][C@@H](CSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc21 ZINC000084688884 563176085 /nfs/dbraw/zinc/17/60/85/563176085.db2.gz GGZZZDGZFLLSDQ-JOCHJYFZSA-N 1 0 425.601 5.657 1 0 IKAFRO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](C[C@@H](O)CSc1ccccc1C)CC2 ZINC000084690809 563176530 /nfs/dbraw/zinc/17/65/30/563176530.db2.gz OZMKKJGPXDCKLL-AMGIVPHBSA-N 1 0 449.616 5.113 1 0 IKAFRO O=C(Nc1ccc2cc(C[NH+]3CCCC3)cnc2c1)N1CCC(c2ccc(F)cc2)CC1 ZINC000084758905 563179772 /nfs/dbraw/zinc/17/97/72/563179772.db2.gz BNKDXJJXXMAIBU-UHFFFAOYSA-N 1 0 432.543 5.381 1 0 IKAFRO COc1cc2nc(NC3CCCCC3)nc(NCCCCC[NH+]3CCCC3)c2cc1OC ZINC000095493482 563180649 /nfs/dbraw/zinc/18/06/49/563180649.db2.gz AGJXPIGQGOYVMY-UHFFFAOYSA-N 1 0 441.620 5.070 1 0 IKAFRO COc1ccc(-c2cc3c(s2)C[C@H](OC)OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000095554891 563181234 /nfs/dbraw/zinc/18/12/34/563181234.db2.gz VLCLAHWOFFEFJM-RUZDIDTESA-N 1 0 435.589 5.460 1 0 IKAFRO COc1ccc(NC(=O)N(CCC[NH3+])[C@@H](C)c2ccccc2)cc1OCCCC(C)C ZINC000095559543 563182014 /nfs/dbraw/zinc/18/20/14/563182014.db2.gz AXDHXSFIWMSWSW-FQEVSTJZSA-N 1 0 427.589 5.454 1 0 IKAFRO CN1CC[NH+](CCCc2ccc([C@@H](c3ccccc3)C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000095562200 563182572 /nfs/dbraw/zinc/18/25/72/563182572.db2.gz DOUDDYLEUDBZLJ-QTOQHBCNSA-N 1 0 442.691 6.215 1 0 IKAFRO CC[NH+]1CCN(Cc2ccc([C@H](c3ccccc3)C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000095562713 563182750 /nfs/dbraw/zinc/18/27/50/563182750.db2.gz GOBMXPRHAMNLFG-CTSDKZEDSA-N 1 0 428.664 6.172 1 0 IKAFRO C[n+]1c(CCCOc2ccccc2Cl)cccc1CCCOc1ccccc1Cl ZINC000095583759 563188401 /nfs/dbraw/zinc/18/84/01/563188401.db2.gz YIXCZNDGIANWJE-UHFFFAOYSA-N 1 0 431.383 5.841 1 0 IKAFRO C[NH+]1CCC(COCc2cc(C(F)(F)F)cc(Cl)n2)(c2ccc(Cl)cc2)CC1 ZINC000095586388 563189203 /nfs/dbraw/zinc/18/92/03/563189203.db2.gz BVALXLKHALQQPF-UHFFFAOYSA-N 1 0 433.301 5.587 1 0 IKAFRO COc1ccc(C[NH2+][C@H]2CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@]3(C)[C@H]2O)c(OC)c1 ZINC000095589107 563189551 /nfs/dbraw/zinc/18/95/51/563189551.db2.gz XWFRCFVAMFEVAA-QANJXPMWSA-N 1 0 445.688 6.202 1 0 IKAFRO CC(C)Cc1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CC[NH+](C)CC2)n1 ZINC000095591776 563190349 /nfs/dbraw/zinc/19/03/49/563190349.db2.gz BNDYWUDBYSQRPQ-UHFFFAOYSA-N 1 0 438.509 5.618 1 0 IKAFRO C[C@H]1C[C@H]1c1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CC[NH+](C)CC2)n1 ZINC000095591626 563190359 /nfs/dbraw/zinc/19/03/59/563190359.db2.gz XYODCNMGJSSDON-HRAATJIYSA-N 1 0 436.493 5.543 1 0 IKAFRO C[C@H]1C[C@@H]1c1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CC[NH+](C)CC2)n1 ZINC000095591624 563190368 /nfs/dbraw/zinc/19/03/68/563190368.db2.gz XYODCNMGJSSDON-KKSFZXQISA-N 1 0 436.493 5.543 1 0 IKAFRO Cc1ccc2c(Cl)cc(Cl)c(OC[C@@H](C)CC[NH2+]Cc3ccc(Cl)cc3)c2n1 ZINC000095596230 563191454 /nfs/dbraw/zinc/19/14/54/563191454.db2.gz LHAKHSWZPZVEAS-AWEZNQCLSA-N 1 0 437.798 6.698 1 0 IKAFRO C[NH2+]CC[C@@H]1O[C@@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N(CC2CC2)C1=O ZINC000095601557 563192891 /nfs/dbraw/zinc/19/28/91/563192891.db2.gz FODTWMGUVKCBDV-BDTNDASRSA-N 1 0 433.379 5.023 1 0 IKAFRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2c1csc2-c1cccc2ccccc21 ZINC000095602827 563193291 /nfs/dbraw/zinc/19/32/91/563193291.db2.gz IDDBHBXBEFYPME-UHFFFAOYSA-N 1 0 425.553 6.230 1 0 IKAFRO Cc1cc2c(cccc2OC[C@@H](O)C[N@H+]2CC[C@@H](c3ccc4ccsc4c3)C[C@@H]2C)[nH]1 ZINC000095607329 563194121 /nfs/dbraw/zinc/19/41/21/563194121.db2.gz HUYCOYHIJGTDIA-BWAGFHJFSA-N 1 0 434.605 5.699 1 0 IKAFRO Cc1cc2c(cccc2OC[C@@H](O)C[N@H+]2CC[C@@H](c3ccc4c(C)csc4c3)C[C@@H]2C)[nH]1 ZINC000095607316 563194139 /nfs/dbraw/zinc/19/41/39/563194139.db2.gz PXNVVRKULLMJLQ-NNWRFLSQSA-N 1 0 448.632 6.007 1 0 IKAFRO Cc1ccc(-c2cccn3nc(Nc4ccc5c(c4)CC[NH2+]CC5)nc23)c(OCC(C)C)c1 ZINC000096169801 563195490 /nfs/dbraw/zinc/19/54/90/563195490.db2.gz BHEVMCCOVFJRDL-UHFFFAOYSA-N 1 0 441.579 5.171 1 0 IKAFRO Cn1c2ccc(S(=O)(=O)c3cccc(-c4ccccc4)c3)cc2c2c1C[C@@H]1CC[C@H]2[NH2+]1 ZINC000096175165 563196173 /nfs/dbraw/zinc/19/61/73/563196173.db2.gz HJVQSVONJGNIRA-WMZHIEFXSA-N 1 0 428.557 5.027 1 0 IKAFRO OC[C@H]1CCCC[N@@H+]1CCc1ccc(Nc2nc(-c3ccccc3Cl)cs2)cc1 ZINC000096273991 563196937 /nfs/dbraw/zinc/19/69/37/563196937.db2.gz BQPUVTIMJZTEDW-LJQANCHMSA-N 1 0 428.001 5.596 1 0 IKAFRO CC1=C2C[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)C[NH2+][C@H]1[C@H]2C ZINC000096903087 563197530 /nfs/dbraw/zinc/19/75/30/563197530.db2.gz DNORVFYGTIFDLD-AFXXMDOGSA-N 1 0 427.673 5.472 1 0 IKAFRO CCC[NH+](CCC)Cc1c(C(=O)c2ccc(Cl)cc2)c(N)sc1-c1ccccc1 ZINC000096913298 563197815 /nfs/dbraw/zinc/19/78/15/563197815.db2.gz XSXKQCLRLYNFPW-UHFFFAOYSA-N 1 0 427.013 6.504 1 0 IKAFRO O=c1[nH]c2ccccc2n2c(-c3ccc[n+](Cc4ccccc4)c3)nc(-c3ccccc3)c12 ZINC000096913550 563197943 /nfs/dbraw/zinc/19/79/43/563197943.db2.gz XUGCFNBZVCUGDG-UHFFFAOYSA-O 1 0 429.503 5.258 1 0 IKAFRO Cc1cc(N2CC[C@H]([N@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccc(-c2cccnc2)cc1 ZINC000096929258 563198536 /nfs/dbraw/zinc/19/85/36/563198536.db2.gz OOXBDMODOQZHBO-LVXARBLLSA-N 1 0 440.591 5.372 1 0 IKAFRO Cc1cc(=O)oc2cc(OCCC[NH+]3CCC(c4noc5cc(F)ccc54)CC3)ccc12 ZINC000096929479 563198575 /nfs/dbraw/zinc/19/85/75/563198575.db2.gz BIMOEXMWKRFASR-UHFFFAOYSA-N 1 0 436.483 5.030 1 0 IKAFRO C[C@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(NC(=O)c3ccccc3F)c(C(F)(F)F)c2)C1 ZINC000096929277 563198582 /nfs/dbraw/zinc/19/85/82/563198582.db2.gz VQACOJQVPZPBMB-DOTOQJQBSA-N 1 0 435.465 5.160 1 0 IKAFRO Cc1cc(=O)oc2cc(OCCCC[NH+]3CCC(c4nc5ccccc5o4)CC3)ccc12 ZINC000096929504 563198678 /nfs/dbraw/zinc/19/86/78/563198678.db2.gz FWMDWROJPNMDBG-UHFFFAOYSA-N 1 0 432.520 5.281 1 0 IKAFRO CC[NH+](CC)CCNc1nc2c(-c3ccc(C(F)(F)F)cc3)cnn2c2ccccc21 ZINC000096933171 563198955 /nfs/dbraw/zinc/19/89/55/563198955.db2.gz FSUXZXIJTBBBKN-UHFFFAOYSA-N 1 0 427.474 5.322 1 0 IKAFRO C[NH+](C)C/C=C/C(=O)Nc1cccc(Nc2ncc(Cl)c(-c3c[nH]c4ccccc43)n2)c1 ZINC000096935125 563199488 /nfs/dbraw/zinc/19/94/88/563199488.db2.gz SODAJWTVOKNCDI-IZZDOVSWSA-N 1 0 446.942 5.078 1 0 IKAFRO CN(C)c1cc[n+](Cc2ccc(CCc3ccc(CNc4cccc(O)c4)cc3)cc2)cc1 ZINC000096938866 563199885 /nfs/dbraw/zinc/19/98/85/563199885.db2.gz DEQKIDDCJQDTPY-UHFFFAOYSA-O 1 0 438.595 5.191 1 0 IKAFRO Oc1cccc(NCc2ccc(-c3ccc(C[n+]4ccc(N5CCCC5)cc4)cc3)cc2)c1 ZINC000096938861 563199933 /nfs/dbraw/zinc/19/99/33/563199933.db2.gz IUDLABWMGYADED-UHFFFAOYSA-O 1 0 436.579 5.607 1 0 IKAFRO Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000096940174 563200153 /nfs/dbraw/zinc/20/01/53/563200153.db2.gz IIEKXSBTLYVEPW-UHFFFAOYSA-N 1 0 437.583 7.166 1 0 IKAFRO CCCCCC[NH2+]Cc1ccc(-c2c(C)cc3oc(=O)cc(-c4ccccc4)c3c2C)cc1 ZINC000096940175 563200176 /nfs/dbraw/zinc/20/01/76/563200176.db2.gz FMTDOQUVJAQZBS-UHFFFAOYSA-N 1 0 439.599 7.414 1 0 IKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(O)c3)O2)[C@H]2C(C)=CC(C)(C)[NH2+][C@@H]2C=C1 ZINC000028823495 581097629 /nfs/dbraw/zinc/09/76/29/581097629.db2.gz ATJGOPJRRWGHHL-ORHJFFFKSA-N 1 0 429.516 5.176 1 0 IKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(C)n3)O2)[C@H]2C(C)=CC(C)(C)[NH2+][C@H]2C=C1 ZINC000028823565 581100687 /nfs/dbraw/zinc/10/06/87/581100687.db2.gz UBFYPBCQTPHSMF-QYDDIFPFSA-N 1 0 428.532 5.174 1 0 IKAFRO CC1(C)O[C@@]2([C@@H]3CC[C@@H](Cc4ccccc4)[C@H](Cc4ccc(N)nc4)C3)CC[C@@H]1[C@@H]([NH3+])C2 ZINC000085543272 291399551 /nfs/dbraw/zinc/39/95/51/291399551.db2.gz WTGCQEAVENNNEM-YFKJGJBESA-N 1 0 433.640 5.157 1 0 biogenic,in-vitro IKAFRO CC1(C)O[C@@]2([C@@H]3CC[C@H](Cc4ccccc4)[C@@H](Cc4ccc(O)cc4)C3)CC[C@@H]1[C@H]([NH3+])C2 ZINC000085543278 291399558 /nfs/dbraw/zinc/39/95/58/291399558.db2.gz DIGLTNKOQZIKOT-RRUOQXOBSA-N 1 0 433.636 5.885 1 0 biogenic,in-vitro IKAFRO CCCCC[C@H]1C[C@H]2[C@H]3[NH2+]CCC[C@@H]3C[C@@]34[C@@H](C[C@]23C1)[C@@]1(O)CCC[C@](C)(C1)C[C@@H]4O ZINC000085547505 291403357 /nfs/dbraw/zinc/40/33/57/291403357.db2.gz DHPRFXRUFQVKLG-IQGRAYCCSA-N 1 0 429.689 5.434 1 0 biogenic,in-vitro IKAFRO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)C[n+]1c2ccccc2n(C)c1COc1ccccc1 ZINC000012385082 519803324 /nfs/dbraw/zinc/80/33/24/519803324.db2.gz HACNGQQLOZYIEB-XTJBDQBJSA-N 1 0 435.588 5.049 1 0 IKAFRO C[NH+]1CCN(c2cc(-c3ccc4ccccc4c3)nc3ccc(-c4ccccc4)cc32)CC1 ZINC000028641848 536418226 /nfs/dbraw/zinc/41/82/26/536418226.db2.gz AJVJAFXLNRFLJI-UHFFFAOYSA-N 1 0 429.567 6.474 1 0 IKAFRO COc1cc2cc(c1OC)Oc1ccc(cc1)CCC(=O)O[C@H]1C[C@H]3CCCC[N@@H+]3[C@H]2C1 ZINC000033832710 560088205 /nfs/dbraw/zinc/08/82/05/560088205.db2.gz RYPKMVJQIHUNPG-HJNYFJLDSA-N 1 0 437.536 5.044 1 0 biogenic,in-vitro IKAFRO CN(C(=O)Oc1ccc(Cl)cc1)C1CCC(c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000012503898 560212720 /nfs/dbraw/zinc/21/27/20/560212720.db2.gz AMKFOVYTEUFMCU-UHFFFAOYSA-N 1 0 441.015 6.483 1 0 in-vitro IKAFRO COCc1cccc(C[NH+]2CCC(N3C(=O)Nc4ccccc4[C@@H]3c3ccccc3)CC2)c1 ZINC000000588590 562918251 /nfs/dbraw/zinc/91/82/51/562918251.db2.gz QVXJYKZYIAVFLK-MHZLTWQESA-N 1 0 441.575 5.435 1 0 IKAFRO COc1ccccc1[C@@H](O)/C=C1\C2CC[NH+](CC2)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000000598534 562918542 /nfs/dbraw/zinc/91/85/42/562918542.db2.gz ACNNRRQKRUXREB-BNPGWQDGSA-N 1 0 425.572 5.581 1 0 IKAFRO O[C@@H](c1cccnc1)C1CC[NH+](C[C@@]23C[C@@H](c4ccccc42)c2ccc(Cl)cc23)CC1 ZINC000000598495 562918549 /nfs/dbraw/zinc/91/85/49/562918549.db2.gz FAIDZDOWNFSXLC-RNJDCESWSA-N 1 0 430.979 5.316 1 0 IKAFRO CCC(=O)N(c1ccccc1F)C1(c2ccccn2)CC[NH+](CCc2ccccc2)CC1 ZINC000000603296 562918685 /nfs/dbraw/zinc/91/86/85/562918685.db2.gz SLPKWZPZSWFZQV-UHFFFAOYSA-N 1 0 431.555 5.198 1 0 IKAFRO C[NH+]1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(NCc3ccccc3)n2)CC1 ZINC000000602009 562918689 /nfs/dbraw/zinc/91/86/89/562918689.db2.gz WXRMAQOBZQESSL-UHFFFAOYSA-N 1 0 442.542 5.025 1 0 IKAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc(-c3cccc(Cl)c3Cl)o2)C1C(=O)OC ZINC000000623908 562918859 /nfs/dbraw/zinc/91/88/59/562918859.db2.gz GPQPWNQXQOSLBL-CSRGTXSUSA-N 1 0 436.291 5.675 1 0 IKAFRO Oc1ccc([C@@H]2CCc3cc(O)ccc3N2Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000001489352 562922308 /nfs/dbraw/zinc/92/23/08/562922308.db2.gz GDUBWKFFFZPKRD-MHZLTWQESA-N 1 0 444.575 5.267 1 0 IKAFRO C[C@H]1CC[C@H](C)N1C(=O)c1ccc(-c2ccc(OCCC[NH+]3[C@@H](C)CC[C@@H]3C)cc2)cc1 ZINC000001552810 562922925 /nfs/dbraw/zinc/92/29/25/562922925.db2.gz XTAKZISVCJZVCY-MLCQCVOFSA-N 1 0 434.624 6.008 1 0 IKAFRO Cc1coc2cc(OCCC[NH+]3CCC(c4noc5cc(F)ccc54)CC3)ccc2c1=O ZINC000001893117 562925227 /nfs/dbraw/zinc/92/52/27/562925227.db2.gz YJKSMRSCQYIHMX-UHFFFAOYSA-N 1 0 436.483 5.030 1 0 IKAFRO O=C1Nc2ccc(Cl)c3c2[C@]1(CCCC[N@H+]1CC=C(c2ccc(F)cc2)CC1)CCC3 ZINC000001910864 562925405 /nfs/dbraw/zinc/92/54/05/562925405.db2.gz UWPMACBSCARCRJ-SANMLTNESA-N 1 0 438.974 5.965 1 0 IKAFRO O[C@H](C[NH2+]CCc1ccc(C(F)(F)F)cc1)COC(c1ccccc1)c1ccccc1 ZINC000002652706 562929380 /nfs/dbraw/zinc/92/93/80/562929380.db2.gz PUANSOTUBGWNQQ-HSZRJFAPSA-N 1 0 429.482 5.005 3 0 IKAFRO Cc1ccc(O)c(NCCC[NH+]2CCC(OC(c3ccccc3)c3ccccc3)CC2)c1 ZINC000003783522 562937805 /nfs/dbraw/zinc/93/78/05/562937805.db2.gz QTPFASOIIGQDRN-UHFFFAOYSA-N 1 0 430.592 5.773 1 0 IKAFRO CC1(C)Cc2ccccc2[C@H](C[NH+]2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000003787046 562937906 /nfs/dbraw/zinc/93/79/06/562937906.db2.gz JGXZBLFYAWGGPA-QFIPXVFZSA-N 1 0 431.407 5.536 1 0 IKAFRO C[N@@H+]1CCCC[C@H]1CCc1cc(C(=O)Nc2ccc(-c3ccc(O)cc3)cc2)ccc1O ZINC000003809273 562938351 /nfs/dbraw/zinc/93/83/51/562938351.db2.gz BPSJUELGMDRIEX-DEOSSOPVSA-N 1 0 430.548 5.434 1 0 IKAFRO COc1ccc(C(=O)N(CCC2CC[NH+](Cc3ccccc3)CC2)c2ccccc2)cc1 ZINC000003814238 562938502 /nfs/dbraw/zinc/93/85/02/562938502.db2.gz ZIFYLJRFVGDNJE-UHFFFAOYSA-N 1 0 428.576 5.644 1 0 IKAFRO OC1(c2cccnn2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000003816127 562938635 /nfs/dbraw/zinc/93/86/35/562938635.db2.gz IRRWZIHKAODIIS-LDSCYUJKSA-N 1 0 440.374 5.387 1 0 IKAFRO CCC[N@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCc2ccccc2C1 ZINC000003928087 562939361 /nfs/dbraw/zinc/93/93/61/562939361.db2.gz UJNGTNSLEZLHFI-GDLZYMKVSA-N 1 0 440.631 6.133 1 0 IKAFRO C[NH+](C)CCOc1ccc([C@H]2Oc3cc(O)ccc3-c3sc4cc(O)ccc4c32)cc1 ZINC000003951502 562939855 /nfs/dbraw/zinc/93/98/55/562939855.db2.gz BTOJISAUJPXHPN-XMMPIXPASA-N 1 0 433.529 5.402 1 0 IKAFRO COc1ccc(N2Cc3sc4ccccc4c3C2=O)cc1OCC[NH+]1CCC(C)CC1 ZINC000003987586 562940430 /nfs/dbraw/zinc/94/04/30/562940430.db2.gz PMLOBLMWKWWJRA-UHFFFAOYSA-N 1 0 436.577 5.181 1 0 IKAFRO O=C(NCCCC[N@@H+]1CCN2c3ccccc3CC[C@@H]2C1)c1ccc(-c2ccccc2)cc1 ZINC000003988542 562940453 /nfs/dbraw/zinc/94/04/53/562940453.db2.gz VPTSFCYJNNWWFV-HHHXNRCGSA-N 1 0 439.603 5.001 1 0 IKAFRO Oc1ccc2c(c1)CC[C@H](c1ccccc1)N2Cc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000003988483 562940497 /nfs/dbraw/zinc/94/04/97/562940497.db2.gz OQJYJENHHOZHPV-MUUNZHRXSA-N 1 0 442.603 5.951 1 0 IKAFRO COc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000005596653 562944394 /nfs/dbraw/zinc/94/43/94/562944394.db2.gz NYJQZRBPKNCCPF-GCJKJVERSA-N 1 0 443.513 5.995 1 0 IKAFRO FC(F)(F)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)n2C[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000005596650 562944414 /nfs/dbraw/zinc/94/44/14/562944414.db2.gz WKYZJMVWIWKDNY-DYESRHJHSA-N 1 0 447.932 6.640 1 0 IKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2nccc(C)c2c1OCCCCCc1ccccc1 ZINC000005931476 562945498 /nfs/dbraw/zinc/94/54/98/562945498.db2.gz FQMWIYZZDKICOP-NRFANRHFSA-N 1 0 435.612 5.883 1 0 IKAFRO CCCn1c(-c2ccc(F)cc2)nc2c1nc(C)nc2N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000008017230 562948856 /nfs/dbraw/zinc/94/88/56/562948856.db2.gz NVWOKJJKHBGSCM-QFIPXVFZSA-N 1 0 444.558 5.037 1 0 IKAFRO CC[NH+](CC)CCC[C@@H](C)n1c2nc(C)nc(NC3CCCCC3)c2nc1-c1ccccc1 ZINC000008017301 562948863 /nfs/dbraw/zinc/94/88/63/562948863.db2.gz BMUGDXBMCVLBNM-HXUWFJFHSA-N 1 0 448.659 6.229 1 0 IKAFRO Cc1nc2c(nc(-c3ccccc3)n2CCC[N@H+]2CCCC[C@H]2C)c(NC2CCCCC2)n1 ZINC000008017440 562948873 /nfs/dbraw/zinc/94/88/73/562948873.db2.gz MZEJIRYFUZJFCV-HXUWFJFHSA-N 1 0 446.643 5.811 1 0 IKAFRO c1ccc([C@H]2[C@H]3C[N@@H+](CC4CCCCC4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cc1 ZINC000008585168 562950029 /nfs/dbraw/zinc/95/00/29/562950029.db2.gz ARTFQYBWFCKHSN-ORKTZOGASA-N 1 0 447.666 7.755 3 0 IKAFRO Cc1ccc(-c2cn3c4ccc(C(=O)NCCC[NH+]5CCCCCC5)cc4sc3n2)cc1 ZINC000008588640 562950735 /nfs/dbraw/zinc/95/07/35/562950735.db2.gz ZOJDNXUSHBZVND-UHFFFAOYSA-N 1 0 446.620 5.520 1 0 IKAFRO Cc1oc(-c2ccccc2C)nc1C[N@@H+]1CCC[C@H](C(=O)NCc2ccc(Cl)cc2)C1 ZINC000008597790 562954097 /nfs/dbraw/zinc/95/40/97/562954097.db2.gz KRTUKSGRAZZDPW-FQEVSTJZSA-N 1 0 437.971 5.140 1 0 IKAFRO C[N@@H+]1C[C@@H]2[C@@H](c3ccc(C(F)(F)F)cc3)C3(c4cccnc4)CC2(C3)[C@H]1c1ccccc1 ZINC000008690094 562963174 /nfs/dbraw/zinc/96/31/74/562963174.db2.gz KNAYUGWIXSDDAM-MUUWIZIASA-N 1 0 434.505 6.219 3 0 IKAFRO O=C(c1cc2ccccc2[nH]1)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000011664997 562978925 /nfs/dbraw/zinc/97/89/25/562978925.db2.gz LUUZDBRTNSJXPU-JOCHJYFZSA-N 1 0 430.596 5.250 3 0 IKAFRO O=C(c1cc2ccccc2[nH]1)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000011664998 562978975 /nfs/dbraw/zinc/97/89/75/562978975.db2.gz LUUZDBRTNSJXPU-QFIPXVFZSA-N 1 0 430.596 5.250 3 0 IKAFRO CCc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)o1 ZINC000011663303 562978985 /nfs/dbraw/zinc/97/89/85/562978985.db2.gz ASGLSISOVKAMLK-UHFFFAOYSA-N 1 0 428.536 5.236 1 0 IKAFRO C[C@@H](CCc1ccc(O)cc1)[N@@H+]1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000012031363 562980450 /nfs/dbraw/zinc/98/04/50/562980450.db2.gz MZGYISGPSJXIML-KRWDZBQOSA-N 1 0 446.572 5.590 1 0 IKAFRO CC(C)n1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)cn1 ZINC000012111922 562980825 /nfs/dbraw/zinc/98/08/25/562980825.db2.gz RCEPLTQHRCQLIM-HSZRJFAPSA-N 1 0 441.579 5.463 3 0 IKAFRO COc1cc2[nH]c(-c3ccc4c(c3)[C@H]([NH+]3CCCC3)CC4)cc(=O)c2cc1-c1cnco1 ZINC000012354293 562981251 /nfs/dbraw/zinc/98/12/51/562981251.db2.gz YVHDANBJKFBIKP-HSZRJFAPSA-N 1 0 427.504 5.354 1 0 IKAFRO O=C1CC[N@H+](CCc2ccccc2)CCN1[C@H](CSc1ccccc1)c1ccccc1 ZINC000012474423 562982226 /nfs/dbraw/zinc/98/22/26/562982226.db2.gz OVPXVDTVZJWVGC-AREMUKBSSA-N 1 0 430.617 5.297 3 0 IKAFRO COc1ccc(CSc2sc(C(N)=[NH2+])cc2-c2nc(-c3ccccc3)cs2)cc1 ZINC000013437905 562986078 /nfs/dbraw/zinc/98/60/78/562986078.db2.gz UZRPEXUMIZAQBZ-UHFFFAOYSA-N 1 0 437.615 6.124 1 0 IKAFRO Cc1c(COc2ccc(Cl)cc2)oc2cccc(OCCC[NH2+]Cc3cccnc3)c12 ZINC000013438513 562986148 /nfs/dbraw/zinc/98/61/48/562986148.db2.gz YXBVEDYIACFQGK-UHFFFAOYSA-N 1 0 436.939 5.927 1 0 IKAFRO CC(C)Sc1ccc(CC2CC[NH+](C3CCN(C(=O)c4ccco4)CC3)CC2)cc1 ZINC000013440409 562986229 /nfs/dbraw/zinc/98/62/29/562986229.db2.gz CZSRYRXGRSRLGM-UHFFFAOYSA-N 1 0 426.626 5.339 1 0 IKAFRO COc1cccc(NC(=O)N2CCC[C@H](C[NH+]3CCC(Cc4ccc(F)cc4)CC3)C2)c1 ZINC000013443592 562986655 /nfs/dbraw/zinc/98/66/55/562986655.db2.gz ONWGMJQANDWQQF-JOCHJYFZSA-N 1 0 439.575 5.033 1 0 IKAFRO CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000013446397 562986909 /nfs/dbraw/zinc/98/69/09/562986909.db2.gz SIZKUYOITMKTBV-HXUWFJFHSA-N 1 0 425.787 5.485 1 0 IKAFRO CSc1ccc([C@H](C[NH+]2CCCC2)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000013446447 562986951 /nfs/dbraw/zinc/98/69/51/562986951.db2.gz BHKMFILYWFYRAV-NRFANRHFSA-N 1 0 437.436 5.553 1 0 IKAFRO Nc1[nH]c2cc3c(cc2[nH+]1)CCC[C@H]3Sc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000013451113 562987295 /nfs/dbraw/zinc/98/72/95/562987295.db2.gz MMVXYUMFIOTUHZ-JOCHJYFZSA-N 1 0 435.574 5.148 1 0 IKAFRO COc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N(CC[NH+]3CCCC3)C(=O)[C@@H]2C)cc1 ZINC000013450826 562987320 /nfs/dbraw/zinc/98/73/20/562987320.db2.gz ITVZJUUDQNPSFA-YLJYHZDGSA-N 1 0 446.513 5.119 1 0 IKAFRO COc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N(CC[NH2+]C(C)C)C(=O)[C@@H]2C)cc1 ZINC000013450810 562987370 /nfs/dbraw/zinc/98/73/70/562987370.db2.gz UBKUIJRFEGXVHP-VQIMIIECSA-N 1 0 434.502 5.021 1 0 IKAFRO O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCC[NH+]3CCC(O)CC3)cc12 ZINC000013454322 562987606 /nfs/dbraw/zinc/98/76/06/562987606.db2.gz FHRQHMSKFPTJSL-UHFFFAOYSA-N 1 0 435.564 5.246 1 0 IKAFRO O=c1cc(-c2ccccc2Cl)oc2ccc(OCCCCCC[NH+]3CCCCC3)cc12 ZINC000013454477 562987621 /nfs/dbraw/zinc/98/76/21/562987621.db2.gz KHUROPCMDYNJNA-UHFFFAOYSA-N 1 0 439.983 6.539 1 0 IKAFRO C[N@H+](CCCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1)Cc1ccccc1 ZINC000013454357 562987643 /nfs/dbraw/zinc/98/76/43/562987643.db2.gz XXTUDZIPHKNILV-UHFFFAOYSA-N 1 0 441.571 6.531 1 0 IKAFRO Cc1c(F)c(Oc2cccc(OC(F)(F)F)c2)nc(Oc2cccc(C(N)=[NH2+])c2)c1F ZINC000013474023 562988589 /nfs/dbraw/zinc/98/85/89/562988589.db2.gz ZUNSNYDRQGBKST-UHFFFAOYSA-N 1 0 439.340 5.435 1 0 IKAFRO Cc1c(F)c(Oc2cccc(C(N)=[NH2+])c2)nc(Oc2ccc(Cl)c(N(C)C)c2)c1F ZINC000013474043 562988599 /nfs/dbraw/zinc/98/85/99/562988599.db2.gz FSAVSWNPMVQPTJ-UHFFFAOYSA-N 1 0 432.858 5.256 1 0 IKAFRO Cc1cccc(C)c1C(=O)N1CCC(C)([NH+]2CCC(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000013474974 562988803 /nfs/dbraw/zinc/98/88/03/562988803.db2.gz CHLLENYTSNHZGS-UHFFFAOYSA-N 1 0 439.043 5.906 1 0 IKAFRO O=C(Nc1ccc2n[nH]cc2c1)Nc1cccc(C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000013475773 562988973 /nfs/dbraw/zinc/98/89/73/562988973.db2.gz VHWQFOSMMBMAQY-UHFFFAOYSA-N 1 0 439.563 5.662 1 0 IKAFRO O=C(Nc1ccccc1)Nc1ccccc1[C@@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000013475775 562989008 /nfs/dbraw/zinc/98/90/08/562989008.db2.gz MDINXBRCQYXZRD-SANMLTNESA-N 1 0 429.564 5.319 1 0 IKAFRO Clc1ccc([C@@H](OCCC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccccc2)cc1 ZINC000013487743 562989438 /nfs/dbraw/zinc/98/94/38/562989438.db2.gz DSXUYALCKWYNBT-VYJMLLJBSA-N 1 0 446.034 7.279 1 0 IKAFRO Nc1cc(Cl)ccc1C(=O)CCC[N@@H+]1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3 ZINC000013488000 562989593 /nfs/dbraw/zinc/98/95/93/562989593.db2.gz NYDZDBFAMUDWJX-FPOVZHCZSA-N 1 0 442.028 5.059 1 0 IKAFRO C[C@H](Cc1c[nH]c2c1cccc2OCc1ccccc1)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000013488839 562989772 /nfs/dbraw/zinc/98/97/72/562989772.db2.gz YZFMZKWJROUPGJ-KOSHJBKYSA-N 1 0 434.967 5.655 1 0 IKAFRO O[C@H](COc1cccc2[nH]ccc21)C[NH+]1CCC(c2cc3c(cccc3Cl)s2)CC1 ZINC000013490091 562990183 /nfs/dbraw/zinc/99/01/83/562990183.db2.gz FUQRJICYKKZXOM-KRWDZBQOSA-N 1 0 440.996 5.655 1 0 IKAFRO Cc1cc2c(cccc2OC[C@@H](O)C[NH+]2CCC(c3cc4c(cc(C)cc4C)s3)CC2)[nH]1 ZINC000013490098 562990212 /nfs/dbraw/zinc/99/02/12/562990212.db2.gz UPZUAHAQWUZFHX-NRFANRHFSA-N 1 0 448.632 5.927 1 0 IKAFRO Fc1ccc(C(OCCC2CC[NH+](CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000013491392 562990357 /nfs/dbraw/zinc/99/03/57/562990357.db2.gz QWAAKIRPIKMRGP-UHFFFAOYSA-N 1 0 449.585 6.806 1 0 IKAFRO Cc1ccc2c(c1)C(N1CCN(c3cccc(C(F)(F)F)c3)CC1)=[NH+]c1cccnc1N2 ZINC000013492075 562990677 /nfs/dbraw/zinc/99/06/77/562990677.db2.gz PNMWNDDEPPDBHH-UHFFFAOYSA-N 1 0 437.469 5.366 1 0 IKAFRO Fc1ccc(C[NH+]2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000013494208 562990966 /nfs/dbraw/zinc/99/09/66/562990966.db2.gz JZJFVHHIWMRMJW-UHFFFAOYSA-N 1 0 439.521 6.512 1 0 IKAFRO COc1ccccc1N1CC[NH+](CCCCCCN2c3cccc4cccc(c34)C2=O)CC1 ZINC000013531188 562992019 /nfs/dbraw/zinc/99/20/19/562992019.db2.gz HVGWHFXADVNOLS-UHFFFAOYSA-N 1 0 443.591 5.191 1 0 IKAFRO c1[nH]c(CCC(c2ccccc2)c2ccccc2)nc1CC[NH2+]CCCCc1cccnc1 ZINC000013530333 562992023 /nfs/dbraw/zinc/99/20/23/562992023.db2.gz XKOSNVKVHLRJGE-UHFFFAOYSA-N 1 0 438.619 5.724 1 0 IKAFRO Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)c3sccc32)cc1 ZINC000013532179 562992195 /nfs/dbraw/zinc/99/21/95/562992195.db2.gz OEFAJMDMCVQKRS-OAQYLSRUSA-N 1 0 433.577 5.352 1 0 IKAFRO Cc1cc2sc([C@@H]3CC[N@H+](C[C@H](O)COc4cccc5[nH]ccc54)[C@@H](C)C3)cc2c(C)c1 ZINC000013535683 562992395 /nfs/dbraw/zinc/99/23/95/562992395.db2.gz SXULKULQYARJNC-HBMCJLEFSA-N 1 0 448.632 6.007 1 0 IKAFRO C[C@H]1C[C@H](c2cc3c(cccc3F)s2)CC[N@@H+]1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000013535691 562992444 /nfs/dbraw/zinc/99/24/44/562992444.db2.gz KEZUWXKXXJLJQP-KSZLIROESA-N 1 0 438.568 5.530 1 0 IKAFRO C[C@H]1C[C@H](c2cc3cccc(F)c3s2)CC[N@@H+]1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000013535698 562992477 /nfs/dbraw/zinc/99/24/77/562992477.db2.gz YBWIVXPYNCSJKS-SCTDSRPQSA-N 1 0 438.568 5.530 1 0 IKAFRO C[NH+](C)CCCN(C(=O)/C=C/c1ccccc1)c1ccccc1SCc1ccccc1 ZINC000013537621 562992517 /nfs/dbraw/zinc/99/25/17/562992517.db2.gz OEVBXAZXDZJCOY-VHEBQXMUSA-N 1 0 430.617 5.977 1 0 IKAFRO C[C@@H](CC1(F)CC[NH+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccccc1 ZINC000013557028 562993273 /nfs/dbraw/zinc/99/32/73/562993273.db2.gz QMDVYSZKHYCAPX-NRFANRHFSA-N 1 0 445.586 5.679 1 0 IKAFRO Oc1ccc2c(c1)S[C@@H](c1ccccc1)[C@@H](c1ccc(OCC[NH+]3CCCCC3)cc1)O2 ZINC000013560488 562994196 /nfs/dbraw/zinc/99/41/96/562994196.db2.gz WGDOPZQMRJSAPD-SXOMAYOGSA-N 1 0 447.600 6.224 1 0 IKAFRO Oc1ccc([C@@H]2Sc3ccccc3O[C@@H]2c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000013560489 562994295 /nfs/dbraw/zinc/99/42/95/562994295.db2.gz CTRXRRTXKQGMKA-SXOMAYOGSA-N 1 0 447.600 6.224 1 0 IKAFRO CC[NH+](CC)CCOc1ccc(C2=C[C@]3(CCc4cc(O)ccc43)c3ccc(O)cc32)cc1 ZINC000013587743 562995815 /nfs/dbraw/zinc/99/58/15/562995815.db2.gz NPUYUXRZSQJLOH-LJAQVGFWSA-N 1 0 441.571 5.496 1 0 IKAFRO Cc1cc2cc(Nc3ccnc4cc(-c5ccc(C[NH2+]CCO)cc5)sc43)ccc2[nH]1 ZINC000013588197 562995842 /nfs/dbraw/zinc/99/58/42/562995842.db2.gz NBYJQDZZRITHTA-UHFFFAOYSA-N 1 0 428.561 5.579 1 0 IKAFRO CC(C)(CO)[NH2+]Cc1ccc(-c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)cc1 ZINC000013588176 562995859 /nfs/dbraw/zinc/99/58/59/562995859.db2.gz KJTNEZSZMBPREH-UHFFFAOYSA-N 1 0 443.576 5.444 1 0 IKAFRO C[NH+](C)CCCc1c(/C=C2/c3cc(-c4ccccc4)ccc3NC2=O)[nH]c2c1CCCC2 ZINC000013588473 562996036 /nfs/dbraw/zinc/99/60/36/562996036.db2.gz UIIAQOUJLJDLPQ-MOHJPFBDSA-N 1 0 425.576 5.547 1 0 IKAFRO O=C1c2ccc(OCc3cccnc3)cc2CC[C@@H]1CC[NH+]1CCC(c2ccccc2)CC1 ZINC000013588386 562996040 /nfs/dbraw/zinc/99/60/40/562996040.db2.gz ZIECFGISGYNQRZ-RUZDIDTESA-N 1 0 440.587 5.675 1 0 IKAFRO O=C(NCCCCc1cccc(Cl)c1)c1ccccc1C[NH2+]CCc1ccc(O)cc1 ZINC000013589114 562996132 /nfs/dbraw/zinc/99/61/32/562996132.db2.gz ZFBSXBWRSPUKKI-UHFFFAOYSA-N 1 0 436.983 5.131 1 0 IKAFRO O=C(NCC/C=C/c1ccccc1)c1ccccc1C[NH2+][C@@H]1CCCc2cc(O)ccc2C1 ZINC000013589140 562996309 /nfs/dbraw/zinc/99/63/09/562996309.db2.gz PUNPFCAHQRJZHQ-ZAZOWEHVSA-N 1 0 440.587 5.263 1 0 IKAFRO O=S(=O)(c1cccc2ccccc21)n1ccc2ccc([C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc21 ZINC000013645873 562998704 /nfs/dbraw/zinc/99/87/04/562998704.db2.gz CYKJYRMLQDBGCW-DHIUTWEWSA-N 1 0 430.573 5.373 1 0 IKAFRO C[N@@H+]1CCCC[C@H]1Cn1cc(C(=O)c2ccc(CCO)c3ccccc23)c2ccccc21 ZINC000013672818 563000081 /nfs/dbraw/zinc/00/00/81/563000081.db2.gz YSNVWEVEYXZGIZ-NRFANRHFSA-N 1 0 426.560 5.045 1 0 IKAFRO Cc1ccccc1[C@H](CCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000013674318 563000320 /nfs/dbraw/zinc/00/03/20/563000320.db2.gz YSSUEOYNEQTLNV-HHHXNRCGSA-N 1 0 434.023 6.544 1 0 IKAFRO Cc1cccc([C@H](CCC[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2)c1 ZINC000013674322 563000326 /nfs/dbraw/zinc/00/03/26/563000326.db2.gz XFNLYSXDMPXNNA-HHHXNRCGSA-N 1 0 434.023 6.544 1 0 IKAFRO C[C@@H]1CCC[N@@H+]1CCc1cc2cc(CNc3ccc(C(=O)C(F)(F)F)cc3)ccc2o1 ZINC000013674335 563000361 /nfs/dbraw/zinc/00/03/61/563000361.db2.gz OWXQFZDEEHZHGI-MRXNPFEDSA-N 1 0 430.470 5.817 1 0 IKAFRO O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2nn(CC[NH+]3CCCC3)cc2c1 ZINC000013685205 563001132 /nfs/dbraw/zinc/00/11/32/563001132.db2.gz LUDDAWLMHRIEHA-UHFFFAOYSA-N 1 0 441.535 5.568 1 0 IKAFRO O=C(NCCCOc1cccc(C[NH+]2CCCCC2)c1)Nc1ccc(C(F)(F)F)cc1 ZINC000013725235 563001333 /nfs/dbraw/zinc/00/13/33/563001333.db2.gz VAHSNCINYMWAGT-UHFFFAOYSA-N 1 0 435.490 5.282 1 0 IKAFRO COc1ccc(C[NH2+][C@H](CNC(=O)Nc2c(C(C)C)cccc2C(C)C)CC(C)C)cc1 ZINC000013737300 563002517 /nfs/dbraw/zinc/00/25/17/563002517.db2.gz DKYVYDRLVFSEHS-QFIPXVFZSA-N 1 0 439.644 6.268 1 0 IKAFRO O=C(CCC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)CCN2Cc1ccccc1 ZINC000013737836 563002652 /nfs/dbraw/zinc/00/26/52/563002652.db2.gz YCTWZDMIQMYEFZ-UHFFFAOYSA-N 1 0 438.615 6.124 1 0 IKAFRO CC[N@H+](CCCCC[C@@H]1Cc2cc(OC)c(OC)cc2C1=O)Cc1ccccc1OC ZINC000013738612 563002850 /nfs/dbraw/zinc/00/28/50/563002850.db2.gz PNORNHQDZBPDRE-LJQANCHMSA-N 1 0 425.569 5.150 1 0 IKAFRO COc1cc(C(C)=O)ccc1SCCC[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000013740880 563003260 /nfs/dbraw/zinc/00/32/60/563003260.db2.gz LMFSAUMXPCITAG-UHFFFAOYSA-N 1 0 442.556 5.540 1 0 IKAFRO Fc1ccc(-n2cc(CCCC[NH+]3CCN(c4ccc(F)cc4)CC3)c3ccccc32)cc1 ZINC000013741508 563003321 /nfs/dbraw/zinc/00/33/21/563003321.db2.gz NSJANYUTRNGXRW-UHFFFAOYSA-N 1 0 445.557 6.054 1 0 IKAFRO Cc1ccc(SC[C@H](C[NH+](C)C)C(=O)c2ccc(OCc3ccccc3)cc2)cc1C ZINC000013741935 563003324 /nfs/dbraw/zinc/00/33/24/563003324.db2.gz JAWVVQKVYZUJTE-DEOSSOPVSA-N 1 0 433.617 6.035 1 0 IKAFRO CC(C)Oc1ccccc1N1CC[NH+](Cc2cccc(CNc3ccc(F)cc3)c2)CC1 ZINC000013743871 563003736 /nfs/dbraw/zinc/00/37/36/563003736.db2.gz XDBNRZXPEASSBJ-UHFFFAOYSA-N 1 0 433.571 5.547 1 0 IKAFRO C[C@H](CNC(=O)C(c1ccccc1)c1ccccc1)C[NH+]1CCC(c2ccccc2)CC1 ZINC000013755530 563004233 /nfs/dbraw/zinc/00/42/33/563004233.db2.gz KIZGDYANNHWFQI-HSZRJFAPSA-N 1 0 426.604 5.450 1 0 IKAFRO CC[NH2+][C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 ZINC000013757979 563004585 /nfs/dbraw/zinc/00/45/85/563004585.db2.gz WFCGDQWAICWEOO-XMMPIXPASA-N 1 0 427.548 5.339 1 0 IKAFRO COc1ccc2c(c1)CC[C@H](c1ccccc1)[C@H]2c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000013780522 563006410 /nfs/dbraw/zinc/00/64/10/563006410.db2.gz NAPIZYZVKMASNP-XRKRLSELSA-N 1 0 427.588 6.032 1 0 IKAFRO COc1ccc(CC[NH2+]CCC[C@@H]2CN(Cc3ccccc3)c3ccccc3O2)cc1OC ZINC000013780758 563006478 /nfs/dbraw/zinc/00/64/78/563006478.db2.gz ZOJMNLDMVXJRKS-XMMPIXPASA-N 1 0 446.591 5.084 1 0 IKAFRO COc1ccc(CC[N@H+](C)CC[C@H]2CN(Cc3ccccc3)c3ccccc3O2)cc1OC ZINC000013780753 563006482 /nfs/dbraw/zinc/00/64/82/563006482.db2.gz KQKQJSMFQYTBBL-DEOSSOPVSA-N 1 0 446.591 5.036 1 0 IKAFRO Cc1cc(C)cc(C(=O)N2CC[C@H]([NH2+]Cc3ccnc4ccccc34)C[C@H]2c2ccccc2)c1 ZINC000013781118 563006550 /nfs/dbraw/zinc/00/65/50/563006550.db2.gz VJUXBLWRJQYXEJ-WNJJXGMVSA-N 1 0 449.598 5.987 1 0 IKAFRO O=C(c1ccc(Cl)c(Cl)c1)N1CCC(C[NH2+]Cc2cccc(-n3cccc3)c2)CC1 ZINC000013782307 563006798 /nfs/dbraw/zinc/00/67/98/563006798.db2.gz AIMARXRAQSIWCL-UHFFFAOYSA-N 1 0 442.390 5.426 1 0 IKAFRO Clc1ccc(OCCc2ccccc2)c(CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000013795803 563007295 /nfs/dbraw/zinc/00/72/95/563007295.db2.gz YWMWWYCRLCCWMQ-UHFFFAOYSA-N 1 0 435.011 5.716 1 0 IKAFRO CN(CCC[N@H+](C)CCCc1ccccc1)CCOC(c1ccccc1)c1ccccc1 ZINC000013800378 563007712 /nfs/dbraw/zinc/00/77/12/563007712.db2.gz WGJCAKQLYZFCSH-UHFFFAOYSA-N 1 0 430.636 5.679 1 0 IKAFRO CCCCCC[C@@H](Cc1ccc(OC)c(OCCc2ccccc2)c1)[NH+](CCC)CCC ZINC000013801146 563007901 /nfs/dbraw/zinc/00/79/01/563007901.db2.gz COVIIVAONUEQQW-MHZLTWQESA-N 1 0 439.684 7.320 1 0 IKAFRO c1nc(CN2CC[N@H+](Cc3cccc4ccccc43)Cc3cc(-c4ccccc4)ccc32)c[nH]1 ZINC000013803096 563008089 /nfs/dbraw/zinc/00/80/89/563008089.db2.gz FQYKBSZFZYBVHE-UHFFFAOYSA-N 1 0 444.582 6.252 1 0 IKAFRO Fc1ccc(CC[NH2+]C[C@H]2CCCN(CCOC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000013803911 563008188 /nfs/dbraw/zinc/00/81/88/563008188.db2.gz FECMCOWJDSNXAS-RUZDIDTESA-N 1 0 446.610 5.476 1 0 IKAFRO Fc1ccc(CC[NH2+]C2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000013803929 563008204 /nfs/dbraw/zinc/00/82/04/563008204.db2.gz AKCNZFOHJFSRSN-UHFFFAOYSA-N 1 0 432.583 5.228 1 0 IKAFRO C[N@@H+]1CC[C@](O)(c2ccc(Cl)c(Cl)c2)[C@@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000013804566 563008341 /nfs/dbraw/zinc/00/83/41/563008341.db2.gz NQHSMRHMUBKGPZ-YJYMSZOUSA-N 1 0 433.162 5.322 1 0 IKAFRO C[N@@H+]1C[C@@H]2[C@H](c3ccc(C(F)(F)F)cc3)C3(c4cccnc4)CC2(C3)[C@H]1c1ccccc1 ZINC000013812912 563009036 /nfs/dbraw/zinc/00/90/36/563009036.db2.gz KNAYUGWIXSDDAM-WIPBBCIJSA-N 1 0 434.505 6.219 3 0 IKAFRO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2[nH]c3ccccc3c2[C@@H]1C[NH+]1CCCC1 ZINC000013823975 563010335 /nfs/dbraw/zinc/01/03/35/563010335.db2.gz SRBDHMOWSKFOIL-QFIPXVFZSA-N 1 0 442.390 5.239 1 0 IKAFRO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2c3ccccc3[nH]c2[C@@H]1C[NH+]1CCCC1 ZINC000013823979 563010345 /nfs/dbraw/zinc/01/03/45/563010345.db2.gz SNEYMUAQCKBVHQ-QFIPXVFZSA-N 1 0 442.390 5.239 1 0 IKAFRO CCCC[NH+](CCCC)CCCOc1ccc(S(=O)(=O)c2c[nH]nc2C(C)C)cc1 ZINC000013827205 563010578 /nfs/dbraw/zinc/01/05/78/563010578.db2.gz YEZFFCMYTNWVJG-UHFFFAOYSA-N 1 0 435.634 5.037 1 0 IKAFRO O=S1(=O)c2cccc3cccc(c23)N1CC[NH+]1CCC(CC2=CCc3ccccc32)CC1 ZINC000013826847 563010640 /nfs/dbraw/zinc/01/06/40/563010640.db2.gz LUENHUWMNYJIAU-UHFFFAOYSA-N 1 0 444.600 5.090 1 0 IKAFRO C[C@@H]1CCC[C@H](C)[N@H+]1CCCCCN1c2ccccc2O[C@H](c2ccccc2Cl)C1=O ZINC000013834488 563011971 /nfs/dbraw/zinc/01/19/71/563011971.db2.gz LUSCJUZTUPFLPT-OHUGHZGNSA-N 1 0 441.015 6.240 1 0 IKAFRO C/C=C/C[N@H+]1CC[C@@H](N(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)[C@@H](C)C1 ZINC000013862300 563012866 /nfs/dbraw/zinc/01/28/66/563012866.db2.gz VRZFYAJIAPJACS-RUQZGRDBSA-N 1 0 449.639 5.602 1 0 IKAFRO O=C(c1ccc(CNc2c3c([nH+]c4cccc(Cl)c42)CCCCC3)s1)C(F)(F)F ZINC000013864107 563013449 /nfs/dbraw/zinc/01/34/49/563013449.db2.gz QNPYGSSPRXBFQL-UHFFFAOYSA-N 1 0 438.902 6.576 1 0 IKAFRO CCCCC1(CCCC)[NH2+][C@@H](c2nc(-c3ccccc3)cs2)Cc2c3ccccc3[nH]c21 ZINC000013863933 563013494 /nfs/dbraw/zinc/01/34/94/563013494.db2.gz YFDDRRGWVCPNBL-XMMPIXPASA-N 1 0 443.660 7.754 1 0 IKAFRO COc1ccccc1[C@H](O)/C=C1\C2CC[NH+](CC2)[C@H]1C(c1ccccc1)c1ccccc1 ZINC000013901717 563013825 /nfs/dbraw/zinc/01/38/25/563013825.db2.gz ACNNRRQKRUXREB-FWUDABMPSA-N 1 0 425.572 5.581 1 0 IKAFRO [NH3+][C@H](COc1cncc(-c2cccc(Nc3nccs3)c2)c1)Cc1c[nH]c2ccccc12 ZINC000014957541 563015951 /nfs/dbraw/zinc/01/59/51/563015951.db2.gz COKYCKQSSRUIDM-FQEVSTJZSA-N 1 0 441.560 5.379 1 0 IKAFRO Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(Cl)c(Cl)c4)c3)cc12 ZINC000014961672 563016197 /nfs/dbraw/zinc/01/61/97/563016197.db2.gz CHTMRWQLNNRRFJ-KRWDZBQOSA-N 1 0 427.335 5.189 1 0 IKAFRO [NH3+][C@H](COc1cnc(Cl)c(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12 ZINC000014962515 563016301 /nfs/dbraw/zinc/01/63/01/563016301.db2.gz KLSYPIQWMFSSJW-FQEVSTJZSA-N 1 0 428.923 5.380 1 0 IKAFRO CC(C)(C)C1CCC([NH+]2CCC3(CC2)c2ccccc2CN(Cc2ccccc2)C3=O)CC1 ZINC000014977302 563017104 /nfs/dbraw/zinc/01/71/04/563017104.db2.gz VNICAVLHEOTYOU-UHFFFAOYSA-N 1 0 444.663 6.168 1 0 IKAFRO CCc1ccc(Nc2n[n+](-c3ccccc3)c(-c3cccc(Cl)c3Cl)s2)cc1 ZINC000015936256 563018736 /nfs/dbraw/zinc/01/87/36/563018736.db2.gz DJTNTBUVULZIIF-UHFFFAOYSA-N 1 0 427.380 6.700 3 0 IKAFRO COc1ccc(C)cc1Nc1n[n+](-c2ccccc2)c(-c2c(Cl)cccc2Cl)s1 ZINC000015936915 563019146 /nfs/dbraw/zinc/01/91/46/563019146.db2.gz PQABJCOTFCKITC-UHFFFAOYSA-N 1 0 443.379 6.454 3 0 IKAFRO CC[NH+](CC)CCCCNc1cc2[nH]c(=O)c(-c3c(Cl)cccc3Cl)cc2cn1 ZINC000021289528 563025356 /nfs/dbraw/zinc/02/53/56/563025356.db2.gz OMTMSMIIXGDMJB-UHFFFAOYSA-N 1 0 433.383 5.431 1 0 IKAFRO Fc1ccc([C@H](OCC[NH+]2CCN(C/C=C/c3ccccc3)CC2)c2ccccc2)cc1 ZINC000022925522 563025767 /nfs/dbraw/zinc/02/57/67/563025767.db2.gz MZWVASMORMKPEJ-NRTJEHLZSA-N 1 0 430.567 5.263 1 0 IKAFRO C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)[N@H+]1CCCc1ccccc1 ZINC000022930208 563026233 /nfs/dbraw/zinc/02/62/33/563026233.db2.gz KRUBQUVNIYCARV-MKPDMIMOSA-N 1 0 441.663 6.242 1 0 IKAFRO c1ccc(C(OCCN2CC[NH+](Cc3cccc4ccccc43)CC2)c2ccccc2)cc1 ZINC000022938673 563026526 /nfs/dbraw/zinc/02/65/26/563026526.db2.gz RUFMMZIUYCHXNZ-UHFFFAOYSA-N 1 0 436.599 5.764 1 0 IKAFRO c1ccc(CCCN2CCCC[C@H]([NH2+]CCOC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000022938473 563026541 /nfs/dbraw/zinc/02/65/41/563026541.db2.gz RFRAMHBONGDSJV-LJAQVGFWSA-N 1 0 442.647 5.870 1 0 IKAFRO C(=C/c1ccccc1)\CN1CCC[N@@H+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000022938498 563026550 /nfs/dbraw/zinc/02/65/50/563026550.db2.gz ZKPGBGRZLGOWBB-GXDHUFHOSA-N 1 0 426.604 5.514 1 0 IKAFRO c1ccc(CCC[NH2+][C@@H]2CCCCN(CCOC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000022938487 563026588 /nfs/dbraw/zinc/02/65/88/563026588.db2.gz ZYUGAHBWNOIKHF-GDLZYMKVSA-N 1 0 442.647 5.870 1 0 IKAFRO COc1ccccc1/C=C/CN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000022939429 563026705 /nfs/dbraw/zinc/02/67/05/563026705.db2.gz YDVTVHXTKIZGHH-MHWRWJLKSA-N 1 0 442.603 5.132 1 0 IKAFRO COc1cccc(CCC[NH+]2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c1 ZINC000022939450 563026787 /nfs/dbraw/zinc/02/67/87/563026787.db2.gz KTYYNPXOHIIOHX-UHFFFAOYSA-N 1 0 444.619 5.052 1 0 IKAFRO COc1ccccc1CCC[NH+]1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000022939444 563026806 /nfs/dbraw/zinc/02/68/06/563026806.db2.gz RSSFEFAHSOYPIM-UHFFFAOYSA-N 1 0 444.619 5.052 1 0 IKAFRO [NH3+][C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000022941579 563026970 /nfs/dbraw/zinc/02/69/70/563026970.db2.gz SZJFJGZFMAHLID-FCHUYYIVSA-N 1 0 431.794 6.511 1 0 IKAFRO Cn1c(SCc2ccccc2)nnc1[C@H]1CCC[N@H+](Cc2cccc3ncccc23)C1 ZINC000023337988 563027072 /nfs/dbraw/zinc/02/70/72/563027072.db2.gz FLYQQUHVJKFHFP-NRFANRHFSA-N 1 0 429.593 5.035 1 0 IKAFRO Cn1c(SCc2ccccc2)nnc1[C@@H]1CCC[N@H+](Cc2cccc3ncccc23)C1 ZINC000023337986 563027110 /nfs/dbraw/zinc/02/71/10/563027110.db2.gz FLYQQUHVJKFHFP-OAQYLSRUSA-N 1 0 429.593 5.035 1 0 IKAFRO Cc1c(NC(=O)[C@H](Sc2ccc3ccccc3c2)C(C)C)ccc2[nH+]c(N)nc(N)c12 ZINC000025970642 563027791 /nfs/dbraw/zinc/02/77/91/563027791.db2.gz PWTQBCOCKQEHQK-OAQYLSRUSA-N 1 0 431.565 5.011 1 0 IKAFRO c1ccc(C(OCC2CC[NH+](C[C@@H]3CCc4ccccc4C3)CC2)c2ccccc2)cc1 ZINC000025999992 563028166 /nfs/dbraw/zinc/02/81/66/563028166.db2.gz HJYZAMANLJGQLB-RUZDIDTESA-N 1 0 425.616 6.310 1 0 IKAFRO COc1ccc(/C=C/C[NH+]2CCC(COC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000025999918 563028171 /nfs/dbraw/zinc/02/81/71/563028171.db2.gz HHLXYKZTGZDHLX-CMDGGOBGSA-N 1 0 427.588 6.227 1 0 IKAFRO c1ccc(C(OCC2CC[NH+](C[C@H]3CCc4ccccc4C3)CC2)c2ccccc2)cc1 ZINC000026000000 563028187 /nfs/dbraw/zinc/02/81/87/563028187.db2.gz HJYZAMANLJGQLB-VWLOTQADSA-N 1 0 425.616 6.310 1 0 IKAFRO O[C@H](CCC[N@@H+]1CC[C@@H]2[C@@H](C1)c1ccccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000026181449 563029673 /nfs/dbraw/zinc/02/96/73/563029673.db2.gz NQGONAKHHVLXTL-WYMJOSIYSA-N 1 0 434.530 5.788 1 0 IKAFRO O[C@@H](CCC[N@@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccccc1 ZINC000026188775 563029866 /nfs/dbraw/zinc/02/98/66/563029866.db2.gz KNNOMOYAJVUIED-OIKPOIBNSA-N 1 0 434.530 5.788 1 0 IKAFRO COc1ccc2c(c1)CC[C@H]([NH2+]CCc1ccc(OC)c(OC)c1)[C@H]2Cc1ccccc1 ZINC000026251262 563030082 /nfs/dbraw/zinc/03/00/82/563030082.db2.gz GDPUSTXHHZCBIA-UIOOFZCWSA-N 1 0 431.576 5.186 1 0 IKAFRO CCNC(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2[nH]cnc2C)cc1 ZINC000026254343 563030189 /nfs/dbraw/zinc/03/01/89/563030189.db2.gz YNBLCYZCPQPQHP-PLQXJYEYSA-N 1 0 440.591 5.097 1 0 IKAFRO Brc1ccc(CC[N@H+](Cc2cnc[nH]2)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000026273386 563030478 /nfs/dbraw/zinc/03/04/78/563030478.db2.gz HFLQDXOFXFPVGQ-UHFFFAOYSA-N 1 0 446.392 6.084 1 0 IKAFRO Fc1ccc(N2CC[NH+](CCCOc3ccc4c(c3)[C@@H](c3ccccc3)CC4)CC2)cc1 ZINC000026505215 563032853 /nfs/dbraw/zinc/03/28/53/563032853.db2.gz GOVKLLIITOGMRQ-HHHXNRCGSA-N 1 0 430.567 5.495 1 0 IKAFRO CC[NH+](CC)Cc1nn(-c2ccc(F)cc2)c2c1CCC[C@@H]2Cc1cccc2ccccc21 ZINC000026572638 563033442 /nfs/dbraw/zinc/03/34/42/563033442.db2.gz MKFBBNGWCLZUCO-HSZRJFAPSA-N 1 0 441.594 6.669 1 0 IKAFRO CC(C)(C)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000026573497 563033452 /nfs/dbraw/zinc/03/34/52/563033452.db2.gz MCRPJSKNOHRSAO-ZEQRLZLVSA-N 1 0 427.610 5.897 1 0 IKAFRO CC(C)C[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000026573929 563033455 /nfs/dbraw/zinc/03/34/55/563033455.db2.gz LFBWFMJHBAJPDC-RPBOFIJWSA-N 1 0 427.610 5.897 1 0 IKAFRO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2ccccc2[C@H]1C[NH+]1CCCCCCC1 ZINC000026578006 563033906 /nfs/dbraw/zinc/03/39/06/563033906.db2.gz CGOKICOCVPIJFD-XMMPIXPASA-N 1 0 445.434 5.928 1 0 IKAFRO CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]([NH3+])C[C@H](Cc1ccc(C(C)(C)C)cc1)C(C)(C)C ZINC000026656428 563034896 /nfs/dbraw/zinc/03/48/96/563034896.db2.gz HGAWDGAIKZLXDU-DLTYFMDKSA-N 1 0 432.693 5.210 1 0 IKAFRO CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@H+](CCC(N)=O)CC1 ZINC000026665336 563035196 /nfs/dbraw/zinc/03/51/96/563035196.db2.gz ZZHNOVUUFUFNLN-MSOLQXFVSA-N 1 0 428.617 5.218 1 0 IKAFRO COc1ccc(-c2nc3cc(-c4nc5cc(CCC[NH+](C)C)ccc5[nH]4)ccc3[nH]2)cc1 ZINC000026734541 563036046 /nfs/dbraw/zinc/03/60/46/563036046.db2.gz ILBKPDXNPGQWMU-UHFFFAOYSA-N 1 0 425.536 5.276 1 0 IKAFRO COc1ccc(/C=C2\C[N@H+](C)C[C@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000026747210 563036424 /nfs/dbraw/zinc/03/64/24/563036424.db2.gz ZGZNFZMNAFLLAL-WZZWGCKUSA-N 1 0 439.559 5.266 1 0 IKAFRO c1ccc(C2=Cc3ccccc3O[C@H]2c2ccc(OCC[NH+]3CCCCCC3)cc2)cc1 ZINC000026947981 563038051 /nfs/dbraw/zinc/03/80/51/563038051.db2.gz QHDAICWQYSTCOG-LJAQVGFWSA-N 1 0 425.572 6.616 1 0 IKAFRO C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)NCc1cccc(Cl)c1)c1cccc2ccccc21 ZINC000026995529 563038862 /nfs/dbraw/zinc/03/88/62/563038862.db2.gz ZRWAMFWDHTXJIW-QFQXNSOFSA-N 1 0 429.007 6.545 1 0 IKAFRO CC(C)[NH2+]C[C@H](O)COc1ccc2c(c1)oc(C1CCCCC1)c(-c1ccccc1)c2=O ZINC000027109454 563039973 /nfs/dbraw/zinc/03/99/73/563039973.db2.gz WKAONDRGNVVYCM-NRFANRHFSA-N 1 0 435.564 5.245 1 0 IKAFRO COc1cccc(CC[N@@H+]2CCC[C@H]2CO[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000027195103 563040500 /nfs/dbraw/zinc/04/05/00/563040500.db2.gz PNLPGVPANALDMI-BDYUSTAISA-N 1 0 435.995 6.162 1 0 IKAFRO COc1ccc(C[C@H]2CN3C(=[NH+]C[C@H]3C3CCCCC3)N2CCCC2CCCCC2)cc1 ZINC000027205859 563040783 /nfs/dbraw/zinc/04/07/83/563040783.db2.gz UMIJHKIIVRNJCH-BDYUSTAISA-N 1 0 437.672 5.903 1 0 IKAFRO Cc1cccc2c1C(=O)N(CCCCC[N@H+]1CC=C(c3c[nH]c4ccc(F)cc34)CC1)C2=O ZINC000027325057 563041646 /nfs/dbraw/zinc/04/16/46/563041646.db2.gz YPVDZKHCFQJIDP-UHFFFAOYSA-N 1 0 445.538 5.171 1 0 IKAFRO CCc1cccc(N(C)C(=[NH2+])Nc2cc(CC)cc(C(F)(F)F)c2Br)c1 ZINC000027426363 563042228 /nfs/dbraw/zinc/04/22/28/563042228.db2.gz PPAZAQPJUYPOBT-UHFFFAOYSA-N 1 0 428.296 6.076 1 0 IKAFRO CCc1cccc(N(C)C(=[NH2+])Nc2cc(C(F)(F)F)cc(CC)c2Br)c1 ZINC000027426178 563042232 /nfs/dbraw/zinc/04/22/32/563042232.db2.gz IJMSFGDWBWPDGL-UHFFFAOYSA-N 1 0 428.296 6.076 1 0 IKAFRO Cc1cc(C)c2nc(CC/C=C/c3ccc(Cl)cc3)cc([C@@H](O)[C@@H]3CCCC[NH2+]3)c2c1 ZINC000027523996 563043031 /nfs/dbraw/zinc/04/30/31/563043031.db2.gz OCMOOUNQZKPECW-JZNOUDMQSA-N 1 0 435.011 6.327 1 0 IKAFRO C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](SCCC[NH3+])CC[C@@]43C)C1=CC[C@@H]2C1=CC(=O)OC1 ZINC000027525050 563043160 /nfs/dbraw/zinc/04/31/60/563043160.db2.gz LFJNOMLQQIBVAY-JCGLCZQBSA-N 1 0 429.670 5.499 1 0 IKAFRO C[NH+](C)C1CCN(CCc2c3ccccc3sc2Cc2ccc(Cl)cc2Cl)CC1 ZINC000027526908 563043374 /nfs/dbraw/zinc/04/33/74/563043374.db2.gz SPBBSODFKMLVAT-UHFFFAOYSA-N 1 0 447.475 6.367 1 0 IKAFRO FC(F)(F)c1cc(CO[C@H]2C3CC[NH+](CC3)[C@@H]2Cc2ccccc2)cc(C(F)(F)F)c1 ZINC000027546608 563043470 /nfs/dbraw/zinc/04/34/70/563043470.db2.gz JOTMNMNWQYWMOE-RTWAWAEBSA-N 1 0 443.431 5.946 1 0 IKAFRO CCCC[C@H](C(=O)N(C)C1CCCCC1)C1(O)CC[NH+](CCc2ccccc2Cl)CC1 ZINC000027554375 563043647 /nfs/dbraw/zinc/04/36/47/563043647.db2.gz SEQUVHJSOOJIMM-HSZRJFAPSA-N 1 0 449.079 5.307 1 0 IKAFRO O=c1nc2c(c3[nH]c(-c4ccccc4-c4cccs4)cn31)C[N@@H+](Cc1ccccc1)CC2 ZINC000027556152 563043713 /nfs/dbraw/zinc/04/37/13/563043713.db2.gz GVSLONTUMQMKRA-UHFFFAOYSA-N 1 0 438.556 5.389 1 0 IKAFRO Cn1ccc2cc(-c3[nH]c4ccccc4c3CC[NH2+]CCCCc3ccc(O)cc3)ccc21 ZINC000027557761 563043949 /nfs/dbraw/zinc/04/39/49/563043949.db2.gz KSYRUMYWGRQMJO-UHFFFAOYSA-N 1 0 437.587 6.187 1 0 IKAFRO O=C1[C@H](Cc2c[nH]c3ccccc23)C[N@@H+](Cc2ccccc2)C[C@@H]1Cc1c[nH]c2ccccc12 ZINC000027562830 563044315 /nfs/dbraw/zinc/04/43/15/563044315.db2.gz RYSWOVLQLJFYGU-PLQXJYEYSA-N 1 0 447.582 5.752 1 0 IKAFRO CC1(C)Oc2cc(O)ccc2[C@H](c2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]1c1ccccc1 ZINC000027647524 563045185 /nfs/dbraw/zinc/04/51/85/563045185.db2.gz PAIABUZDHNKOIL-NSOVKSMOSA-N 1 0 443.587 5.954 1 0 IKAFRO O=c1[nH]c2ccccc2n1C1CC[NH+](CCCN(c2ccccc2)c2ccc(F)cc2)CC1 ZINC000027709562 563045551 /nfs/dbraw/zinc/04/55/51/563045551.db2.gz WVBIHNUUJHUEHU-UHFFFAOYSA-N 1 0 444.554 5.334 1 0 IKAFRO COc1ccc2[nH]cc(C3=CC[N@H+](C[C@@H]4CCc5c(c6ccccc6n5C)C4=O)CC3)c2c1 ZINC000027738796 563046452 /nfs/dbraw/zinc/04/64/52/563046452.db2.gz YIXGURIZOKSKEU-IBGZPJMESA-N 1 0 439.559 5.203 1 0 IKAFRO CCC[N@H+](C)C[C@H](O)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O ZINC000027872751 563047638 /nfs/dbraw/zinc/04/76/38/563047638.db2.gz VQALLFXHRNWESB-QFIPXVFZSA-N 1 0 443.543 5.209 1 0 IKAFRO CCC[N@H+](C)C[C@@H](O)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O ZINC000027872747 563047678 /nfs/dbraw/zinc/04/76/78/563047678.db2.gz VQALLFXHRNWESB-JOCHJYFZSA-N 1 0 443.543 5.209 1 0 IKAFRO C[N@H+](CC1CC1)[C@H]1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)C1 ZINC000028119173 563051047 /nfs/dbraw/zinc/05/10/47/563051047.db2.gz HTQACYPZPIQVHN-MHZLTWQESA-N 1 0 425.576 5.526 1 0 IKAFRO Nc1ccc(C(=O)N2CCC([NH+]3CCC(Cc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1 ZINC000028121422 563051147 /nfs/dbraw/zinc/05/11/47/563051147.db2.gz WFUNGSLTFAAGKM-UHFFFAOYSA-N 1 0 446.422 5.135 1 0 IKAFRO O=C(/C=C/c1ccccc1)N(c1ccc2c(c1)NCC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000028243298 563052075 /nfs/dbraw/zinc/05/20/75/563052075.db2.gz PQPVEPZKZDMPKI-SDNWHVSQSA-N 1 0 437.587 5.366 1 0 IKAFRO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2C(=O)NCc2ccc(-c3cccs3)s2)cc1 ZINC000028348897 563053134 /nfs/dbraw/zinc/05/31/34/563053134.db2.gz KPJONGJADDROGB-PMACEKPBSA-N 1 0 426.607 5.060 1 0 IKAFRO CCNC(=O)c1ccc(C(c2cccc(N)c2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccoc2)cc1 ZINC000028392162 563054458 /nfs/dbraw/zinc/05/44/58/563054458.db2.gz CRUVNMBAKCMMJA-WMPKNSHKSA-N 1 0 441.575 5.240 1 0 IKAFRO O=C1[C@@H](c2ccc(C(F)(F)F)cc2)CC=CCN1[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000028455815 563054676 /nfs/dbraw/zinc/05/46/76/563054676.db2.gz ASGNSBZVWDMQMJ-PKTZIBPZSA-N 1 0 428.498 5.415 1 0 IKAFRO O=C(NCCC[NH2+]Cc1ccc(-c2ccccc2)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000028455276 563054691 /nfs/dbraw/zinc/05/46/91/563054691.db2.gz YBGBYGVBLDIOEC-UHFFFAOYSA-N 1 0 427.470 5.674 1 0 IKAFRO CCNC(=O)c1ccc(C(c2ccccn2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccs2)cc1 ZINC000028456595 563054795 /nfs/dbraw/zinc/05/47/95/563054795.db2.gz NSJYFQMIGHGVQS-ZRZAMGCNSA-N 1 0 443.616 5.522 1 0 IKAFRO [NH3+]CCCn1c(SCCc2c[nH]c3ccccc23)nnc1-c1ccc2ccccc2c1 ZINC000028459404 563054990 /nfs/dbraw/zinc/05/49/90/563054990.db2.gz BWXQCLKEXFOZQZ-UHFFFAOYSA-N 1 0 427.577 5.263 1 0 IKAFRO Cc1ccc(-c2cc(-c3ccncc3)nc(N3CC[NH+](Cc4ccccc4)CC3)n2)cc1C ZINC000028474557 563055634 /nfs/dbraw/zinc/05/56/34/563055634.db2.gz FMPTVPXZDVRCKJ-UHFFFAOYSA-N 1 0 435.575 5.145 1 0 IKAFRO CC[NH+](CC)CC[C@H]1C(c2ccccc2)=Nc2ccccc2S[C@@H]1c1ccc(Cl)cc1 ZINC000028520242 563055798 /nfs/dbraw/zinc/05/57/98/563055798.db2.gz RKMHAQQHRMTUGO-WNCULLNHSA-N 1 0 449.063 7.656 1 0 IKAFRO Cc1ccc(-c2cc(-c3ccc(O)cc3)nc(N3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000028527978 563057058 /nfs/dbraw/zinc/05/70/58/563057058.db2.gz MBPUUIPLJFELGF-UHFFFAOYSA-N 1 0 436.559 5.147 1 0 IKAFRO CCCCCC[C@H](O)C[NH+]1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 ZINC000028528728 563057277 /nfs/dbraw/zinc/05/72/77/563057277.db2.gz QHBYPQQDZLFCSV-VWLOTQADSA-N 1 0 449.614 6.394 1 0 IKAFRO O=C(N[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1)c1ccc(-c2cccs2)cc1 ZINC000028529721 563057349 /nfs/dbraw/zinc/05/73/49/563057349.db2.gz RREAYXVIGCFJMU-IBGZPJMESA-N 1 0 446.494 5.318 1 0 IKAFRO COc1ccccc1C[NH+]1CCC(N2C(=O)Nc3ccccc3[C@H]2c2ccccc2)CC1 ZINC000028568004 563058397 /nfs/dbraw/zinc/05/83/97/563058397.db2.gz PSPIPEZWCFFHNP-AREMUKBSSA-N 1 0 427.548 5.297 1 0 IKAFRO CCOc1cccc(C[NH+]2CCC(N3C(=O)Nc4ccccc4[C@H]3c3ccccc3)CC2)c1 ZINC000028568210 563058472 /nfs/dbraw/zinc/05/84/72/563058472.db2.gz MZZTVVUINPPPAJ-HHHXNRCGSA-N 1 0 441.575 5.687 1 0 IKAFRO CCOc1cccc(C[NH+]2CCC(N3C(=O)Nc4ccccc4[C@@H]3c3ccccc3)CC2)c1 ZINC000028568209 563058474 /nfs/dbraw/zinc/05/84/74/563058474.db2.gz MZZTVVUINPPPAJ-MHZLTWQESA-N 1 0 441.575 5.687 1 0 IKAFRO O=C(NCCC[NH+]1CCC2(CCc3ccccc32)CC1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000028569117 563058650 /nfs/dbraw/zinc/05/86/50/563058650.db2.gz CPHGKPQGRXQFMR-UHFFFAOYSA-N 1 0 448.994 5.700 1 0 IKAFRO CCCC[NH2+]Cc1cnc(C(C)C)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569232 563058736 /nfs/dbraw/zinc/05/87/36/563058736.db2.gz QXYFECIRUHQYAE-UHFFFAOYSA-N 1 0 437.428 5.198 1 0 IKAFRO CC[NH+]1CCC(Oc2cc(OC)cc3ncnc(Nc4ccc(F)c(Cl)c4)c32)CC1 ZINC000028572247 563059578 /nfs/dbraw/zinc/05/95/78/563059578.db2.gz YQVIWENUKGWMED-UHFFFAOYSA-N 1 0 430.911 5.038 1 0 IKAFRO C[NH+](C)CC[C@@H](NC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1 ZINC000028654040 563061295 /nfs/dbraw/zinc/06/12/95/563061295.db2.gz UKQYUZDXTPCKEO-HSZRJFAPSA-N 1 0 428.498 5.600 1 0 IKAFRO C[NH+](C)CC[C@H](NC(=O)/C=C/c1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1 ZINC000028654069 563061328 /nfs/dbraw/zinc/06/13/28/563061328.db2.gz ZNHDEMOCOCFLIC-PZVJUEDKSA-N 1 0 426.482 5.681 1 0 IKAFRO c1ccc(COC2(c3ccccc3)CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000028708237 563062197 /nfs/dbraw/zinc/06/21/97/563062197.db2.gz KSNUQMXXRSKFOM-UHFFFAOYSA-N 1 0 433.595 6.984 1 0 in-vivo IKAFRO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(NC(=O)Nc3ccc(-c4ccccc4)s3)CC1)=CC2 ZINC000028708683 563062374 /nfs/dbraw/zinc/06/23/74/563062374.db2.gz FUVPKSJTVPFJAB-UNMCSNQZSA-N 1 0 435.637 5.993 1 0 IKAFRO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)CC1)=CC2 ZINC000028708716 563062427 /nfs/dbraw/zinc/06/24/27/563062427.db2.gz ZOPCJOLPVIBKAS-YJBOKZPZSA-N 1 0 439.497 5.423 1 0 IKAFRO COc1cc2cc(-c3ccc(C[N@H+](C)Cc4cccc(C)c4)cc3)c(=O)oc2cc1OC ZINC000028710689 563062614 /nfs/dbraw/zinc/06/26/14/563062614.db2.gz BIGKNZBLJTVJKF-UHFFFAOYSA-N 1 0 429.516 5.418 1 0 IKAFRO CC(C)C1=NN(Cc2ccccc2)C(=O)N(c2ccc(NC(N)=[NH2+])cc2)c2ccccc21 ZINC000028711861 563062767 /nfs/dbraw/zinc/06/27/67/563062767.db2.gz FGUGDONOFCOWBJ-UHFFFAOYSA-N 1 0 426.524 5.126 1 0 IKAFRO Cc1ccccc1-c1nc2ccc(Oc3ccc(F)cc3)cc2c(=O)n1C[C@H]1CCC[NH2+]C1 ZINC000028711891 563062810 /nfs/dbraw/zinc/06/28/10/563062810.db2.gz FKNVILKOXAKHLQ-IBGZPJMESA-N 1 0 443.522 5.303 1 0 IKAFRO CC(C)c1nc2ccc(-c3ccc(Cl)cc3)cc2c(=O)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000028711940 563062813 /nfs/dbraw/zinc/06/28/13/563062813.db2.gz CUZLQNOAHBUAIU-IBGZPJMESA-N 1 0 438.015 5.961 1 0 IKAFRO CC(C)c1nc2ccc(-c3ccccc3Cl)cc2c(=O)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000028713646 563063252 /nfs/dbraw/zinc/06/32/52/563063252.db2.gz CRUHNOUIHGMRQX-LJQANCHMSA-N 1 0 438.015 5.961 1 0 IKAFRO CC(C)[NH+](CC[C@]1(c2ccc(-c3ccccc3)cc2)C(=O)NCN2CCCC[C@H]21)C(C)C ZINC000028755741 563063310 /nfs/dbraw/zinc/06/33/10/563063310.db2.gz HGYTZWBWQCKAAF-XTEPFMGCSA-N 1 0 433.640 5.042 1 0 IKAFRO CC(C)[NH+](CC[C@]1(c2ccc(-c3ccccc3)cc2)C(=O)NCN2CCCC[C@@H]21)C(C)C ZINC000028755745 563063435 /nfs/dbraw/zinc/06/34/35/563063435.db2.gz HGYTZWBWQCKAAF-IXCJQBJRSA-N 1 0 433.640 5.042 1 0 IKAFRO CCc1nc2ccc(OC3CCN(C(C)=[NH2+])CC3)cc2n1C/C(C)=C/c1cccc(N)c1 ZINC000028759315 563063574 /nfs/dbraw/zinc/06/35/74/563063574.db2.gz MAGOMFOPKFSHPL-HLFXFWDMSA-N 1 0 431.584 5.125 1 0 IKAFRO CCCN[C@@H](c1ccc(Cl)cc1Cl)[C@@H]([NH2+]CCC)c1ccc(Cl)cc1Cl ZINC000028764626 563063970 /nfs/dbraw/zinc/06/39/70/563063970.db2.gz FASYCQWBVNXZFV-PMACEKPBSA-N 1 0 434.238 7.082 1 0 IKAFRO c1ccc([C@H]2OC(c3ccc(OCCC[NH+]4CCCCC4)cc3)O[C@@H]2c2ccccc2)cc1 ZINC000028816137 563064531 /nfs/dbraw/zinc/06/45/31/563064531.db2.gz SXVWUALPHQRIGF-VSGBNLITSA-N 1 0 443.587 6.469 1 0 IKAFRO COc1ccc(N2C(=O)c3c(cccc3Cl)[C@H]2C)cc1OCC[NH+]1CCC(C)CC1 ZINC000028819766 563065126 /nfs/dbraw/zinc/06/51/26/563065126.db2.gz MPRNTKMGUHUBMV-QGZVFWFLSA-N 1 0 428.960 5.181 1 0 IKAFRO CC[NH2+]C1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 ZINC000028822103 563065522 /nfs/dbraw/zinc/06/55/22/563065522.db2.gz YLJRIZHVEIYVDX-UHFFFAOYSA-N 1 0 437.809 5.255 1 0 IKAFRO O[C@H]1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccc(Br)cc23)[NH+]2CCC1CC2 ZINC000028826464 563066458 /nfs/dbraw/zinc/06/64/58/563066458.db2.gz PTYANLIZLVUDFM-SOMWRMJPSA-N 1 0 441.344 5.019 1 0 IKAFRO Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3C)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000028867135 563067284 /nfs/dbraw/zinc/06/72/84/563067284.db2.gz HVPGKQVCIVIZEX-NLFFAJNJSA-N 1 0 442.047 5.140 1 0 IKAFRO C[NH+](C)[C@@H]1CC=C2C=C3CC[C@@]4(C)[C@@H](CC[C@@H]4c4ccc5ccncc5c4)[C@@]34CC[C@]2(C1)O4 ZINC000028872570 563067517 /nfs/dbraw/zinc/06/75/17/563067517.db2.gz BGHODGXGMJFOQR-VHNXJUCRSA-N 1 0 440.631 6.407 1 0 IKAFRO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c2cc(-c3ccc(F)cc3)oc21 ZINC000028877983 563067769 /nfs/dbraw/zinc/06/77/69/563067769.db2.gz AEQWQMFTPTZZCH-UHFFFAOYSA-N 1 0 447.506 5.823 1 0 IKAFRO COc1ccc2nccc([C@H]3CN(C4CC[NH+](Cc5ccc(C)c(C)c5)CC4)C(=O)O3)c2c1 ZINC000028893724 563068600 /nfs/dbraw/zinc/06/86/00/563068600.db2.gz DBMAUWVASVSMOE-AREMUKBSSA-N 1 0 445.563 5.018 1 0 IKAFRO CC[NH+](CC)CCOc1ccc([C@@H](c2ccccc2)c2ccc(Cl)cc2)c2ccccc12 ZINC000028955535 563070167 /nfs/dbraw/zinc/07/01/67/563070167.db2.gz YOCHMIVZJKHEDX-LJAQVGFWSA-N 1 0 444.018 7.394 1 0 IKAFRO Clc1ccc([C@H](c2ccccc2)c2c(OCC[NH+]3CCCC3)ccc3ccccc32)cc1 ZINC000028955517 563070179 /nfs/dbraw/zinc/07/01/79/563070179.db2.gz RCLCLVJEZISQDV-NDEPHWFRSA-N 1 0 442.002 7.148 1 0 IKAFRO CC[NH+](CC)CCOc1ccc([C@H](c2ccccc2)c2ccc(F)cc2)c2ccccc12 ZINC000028956019 563070263 /nfs/dbraw/zinc/07/02/63/563070263.db2.gz FOAPUGLSLGYMKX-GDLZYMKVSA-N 1 0 427.563 6.880 1 0 IKAFRO CCN(C(=O)Nc1cccc(C(F)(F)F)c1)C1CC[NH+](CC2=CC[C@H]3C[C@@H]2C3(C)C)CC1 ZINC000028956934 563070448 /nfs/dbraw/zinc/07/04/48/563070448.db2.gz WVRMNWWVKDVTLX-AVRDEDQJSA-N 1 0 449.561 6.016 1 0 IKAFRO CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2[NH2+][C@@H]1CCCc2ccccc21 ZINC000029042731 563072231 /nfs/dbraw/zinc/07/22/31/563072231.db2.gz RPWRCPNRVFIHNA-RPBOFIJWSA-N 1 0 440.631 6.927 1 0 IKAFRO Cc1ccc2scc(CCC(=O)N3CCC[C@H](c4ccccc4)[C@@H]3C[NH+]3CCCC3)c2c1 ZINC000029042671 563072250 /nfs/dbraw/zinc/07/22/50/563072250.db2.gz AOOWQPDVZRRXBK-RSXGOPAZSA-N 1 0 446.660 6.013 1 0 IKAFRO CCc1cccc(CC)c1-c1cc(CC)c2c(n1)CCC[C@H]2[N@H+](CC)Cc1ccccc1 ZINC000029054357 563073289 /nfs/dbraw/zinc/07/32/89/563073289.db2.gz KPVVYLNLPPTVJX-MUUNZHRXSA-N 1 0 426.648 7.335 1 0 IKAFRO CC[C@@]1(CCCC[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)c2ccccc2NC1=O ZINC000029054987 563073399 /nfs/dbraw/zinc/07/33/99/563073399.db2.gz TWNOAQCUHOXOHW-XMMPIXPASA-N 1 0 446.422 5.586 1 0 IKAFRO CC[C@]1(CCCC[NH+]2CCN(c3ccc(C)c(Cl)c3)CC2)c2ccccc2NC1=O ZINC000029054974 563073419 /nfs/dbraw/zinc/07/34/19/563073419.db2.gz WDKYMABIRCWBQO-VWLOTQADSA-N 1 0 426.004 5.241 1 0 IKAFRO O=C(NC1CC[NH+](Cc2ccc3cc(F)ccc3c2)CC1)c1ccccc1-c1ccccc1 ZINC000029064439 563073853 /nfs/dbraw/zinc/07/38/53/563073853.db2.gz ZNVHQCHVPKEWRW-UHFFFAOYSA-N 1 0 438.546 6.040 1 0 IKAFRO COC(=O)c1ccc(-c2ccnc(Nc3cc[nH+]c(N[C@@H](C)c4ccccc4)c3)n2)cc1 ZINC000029126601 563074655 /nfs/dbraw/zinc/07/46/55/563074655.db2.gz GSAKLYFYKHKDEK-KRWDZBQOSA-N 1 0 425.492 5.242 1 0 IKAFRO COc1ccc([C@@H](c2cccs2)c2ccc(OC[C@H](O)C[NH+]3CCCCC3)cc2)cc1 ZINC000029131582 563075689 /nfs/dbraw/zinc/07/56/89/563075689.db2.gz XQVYFUMOSPOTPL-ATIYNZHBSA-N 1 0 437.605 5.163 1 0 IKAFRO Clc1cccc([C@@](c2nccs2)(c2ccc(C[NH+]3CCCC3)cc2)n2ccnc2)c1 ZINC000029134828 563076107 /nfs/dbraw/zinc/07/61/07/563076107.db2.gz ZCENRPHEXVLQMR-XMMPIXPASA-N 1 0 434.996 5.429 1 0 IKAFRO Clc1ccc([C@@](c2cccs2)(c2ccc(C[NH+]3CCCC3)cc2)n2ccnc2)cc1 ZINC000029135627 563076221 /nfs/dbraw/zinc/07/62/21/563076221.db2.gz XOSWWTHXBLODIH-RUZDIDTESA-N 1 0 434.008 6.034 1 0 IKAFRO COc1c(C)c(C[NH2+]CCNc2ccnc3cc(Cl)ccc32)c(OC)c2ccccc21 ZINC000029135570 563076279 /nfs/dbraw/zinc/07/62/79/563076279.db2.gz AUAQIGHRSQAUOJ-UHFFFAOYSA-N 1 0 435.955 5.569 1 0 IKAFRO CC[NH+](CC)CCC[C@H](C)Nc1nc2ccccc2c(Nc2cc(Cl)cc(Cl)c2)n1 ZINC000029203928 563076299 /nfs/dbraw/zinc/07/62/99/563076299.db2.gz IAZBMZWELCDTHX-INIZCTEOSA-N 1 0 446.426 6.603 1 0 IKAFRO C[N@@H+]1CCC[C@H]1CCNc1nc(Nc2cccc(Br)c2)nc2ccccc21 ZINC000029206213 563076375 /nfs/dbraw/zinc/07/63/75/563076375.db2.gz CWTUZRJXNXDDQG-KRWDZBQOSA-N 1 0 426.362 5.032 1 0 IKAFRO O=C1c2ccc(O)cc2O[C@H](c2ccc(OCC[NH+]3CCCCC3)cc2)[C@@H]1c1ccccc1 ZINC000029215172 563076725 /nfs/dbraw/zinc/07/67/25/563076725.db2.gz INQOTYZWBQTUMF-IXCJQBJRSA-N 1 0 443.543 5.357 1 0 IKAFRO COc1cccc(OC)c1OCC[NH2+]C[C@@H]1C[C@@H](c2ccccc2)c2ccccc2S1 ZINC000029390980 563078935 /nfs/dbraw/zinc/07/89/35/563078935.db2.gz JGLLHUJRQIQLNY-UNMCSNQZSA-N 1 0 435.589 5.369 1 0 IKAFRO COc1ccc([C@H](O)c2cccc([C@@H](C)C[N@@H+]3CCCC[C@@H]3CC3CCCCC3)c2)cc1 ZINC000029413940 563079906 /nfs/dbraw/zinc/07/99/06/563079906.db2.gz RBOWGYFZKLNGOS-JWMKGCOUSA-N 1 0 435.652 6.705 1 0 IKAFRO C[C@@H](C(=O)OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(Br)cc1 ZINC000029412334 563079949 /nfs/dbraw/zinc/07/99/49/563079949.db2.gz VMYZPTAPWPVWMX-XQXKEMQCSA-N 1 0 428.370 5.291 1 0 IKAFRO FC(F)(F)c1cc(CO[C@H]2C3CC[NH+](CC3)[C@H]2c2ccccc2)cc(C(F)(F)F)c1 ZINC000029463892 563080257 /nfs/dbraw/zinc/08/02/57/563080257.db2.gz CJUCQSBUIKQBDX-PMACEKPBSA-N 1 0 429.404 6.076 1 0 IKAFRO CC1(C)Oc2ccccc2[C@H](c2ccc(OCC[NH+]3CCCC3)cc2)[C@H]1c1ccccc1 ZINC000029468368 563080529 /nfs/dbraw/zinc/08/05/29/563080529.db2.gz UFUJEOSDMVGVSC-WUFINQPMSA-N 1 0 427.588 6.248 1 0 IKAFRO CCCC[NH+](CCCC)CCCCOc1ccc(-c2csc(-c3ccccc3)n2)cc1 ZINC000029473740 563080730 /nfs/dbraw/zinc/08/07/30/563080730.db2.gz SITIPCQGKWKHGB-UHFFFAOYSA-N 1 0 436.665 7.538 1 0 IKAFRO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000029474604 563080812 /nfs/dbraw/zinc/08/08/12/563080812.db2.gz KJHSPYYFBUOQDN-SOFGYWHQSA-N 1 0 442.390 5.484 1 0 IKAFRO COc1ccccc1CC[NH+]1CCC(Nc2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000029558602 563082218 /nfs/dbraw/zinc/08/22/18/563082218.db2.gz PGALNAQYPDZJFD-UHFFFAOYSA-N 1 0 440.591 5.212 1 0 IKAFRO Cc1cc(C)cc(COC[C@H]([NH2+]Cc2ccccc2)C(c2ccccc2)c2ccccc2)c1 ZINC000029558613 563082235 /nfs/dbraw/zinc/08/22/35/563082235.db2.gz JJKIBFLSCJUQHC-PMERELPUSA-N 1 0 435.611 6.811 1 0 IKAFRO Fc1ccc(Cn2c3ccccc3nc2NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000029564537 563082486 /nfs/dbraw/zinc/08/24/86/563082486.db2.gz UJYMLOAOICJQRV-UHFFFAOYSA-N 1 0 428.555 5.343 1 0 IKAFRO Clc1ccccc1Cn1c2ccccc2nc1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000029564986 563082552 /nfs/dbraw/zinc/08/25/52/563082552.db2.gz GOZRCCSOFUKNIN-UHFFFAOYSA-N 1 0 445.010 5.857 1 0 IKAFRO COc1cc(NCCCCCCN2CC[N@H+](CCC(C)C)C[C@@H]2C)c2nccc(C)c2c1 ZINC000029565496 563082589 /nfs/dbraw/zinc/08/25/89/563082589.db2.gz RAAKEEBXYAAUGA-QHCPKHFHSA-N 1 0 440.676 5.576 1 0 IKAFRO Cc1ccc2nc(NC3CC[NH+](CCc4ccccc4)CC3)n(Cc3ccc(F)cc3)c2c1 ZINC000029565322 563082598 /nfs/dbraw/zinc/08/25/98/563082598.db2.gz JUBBQLLPGSUOBB-UHFFFAOYSA-N 1 0 442.582 5.651 1 0 IKAFRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000029567360 563082657 /nfs/dbraw/zinc/08/26/57/563082657.db2.gz PCJUYAAOEVYFKT-HXUWFJFHSA-N 1 0 428.555 5.861 1 0 IKAFRO Fc1ccc(Cn2c3ccccc3nc2NC2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000029567042 563082722 /nfs/dbraw/zinc/08/27/22/563082722.db2.gz OCIADLQNQKTASI-UHFFFAOYSA-N 1 0 434.584 5.404 1 0 IKAFRO Fc1ccc(Cn2c(NC3CC[NH+](C/C=C/c4ccccc4)CC3)nc3cccnc32)cc1 ZINC000029569387 563082938 /nfs/dbraw/zinc/08/29/38/563082938.db2.gz QYVDGJTZQMZPRV-VMPITWQZSA-N 1 0 441.554 5.208 1 0 IKAFRO CCCC[NH+](CCCC)CC(=O)Nc1ccc([C@@H]2NC(=O)C(C)(C)c3ccccc32)cc1 ZINC000033852873 563084885 /nfs/dbraw/zinc/08/48/85/563084885.db2.gz ACOUIJHLOAHEOI-VWLOTQADSA-N 1 0 435.612 5.024 1 0 IKAFRO CCCC[NH+](CCCC)CC(=O)Nc1ccc([C@H]2NC(=O)C(C)(C)c3ccccc32)cc1 ZINC000033852872 563084888 /nfs/dbraw/zinc/08/48/88/563084888.db2.gz ACOUIJHLOAHEOI-RUZDIDTESA-N 1 0 435.612 5.024 1 0 IKAFRO Cc1ccc2c(cccc2OCC[NH+]2CCC(Cc3cccc(-c4ccoc4)c3)CC2)n1 ZINC000034271111 563085923 /nfs/dbraw/zinc/08/59/23/563085923.db2.gz STBMJTIPGVULBR-UHFFFAOYSA-N 1 0 426.560 6.137 1 0 IKAFRO Cc1ccc(C(=O)CCC[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000034502816 563086341 /nfs/dbraw/zinc/08/63/41/563086341.db2.gz ASQUTXZYOFTTDB-UHFFFAOYSA-N 1 0 427.588 5.606 1 0 IKAFRO C[NH+](C)CCC[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000034804118 563087792 /nfs/dbraw/zinc/08/77/92/563087792.db2.gz MOHSATSDFRBXRS-IBGZPJMESA-N 1 0 446.435 5.466 1 0 IKAFRO C[N@@H+]1CCC[C@@H]1CCn1c(Cc2ccccc2)cc2ccc(NC(=N)c3cccs3)cc21 ZINC000034806408 563087873 /nfs/dbraw/zinc/08/78/73/563087873.db2.gz WLCGLOBRFMKLOV-HSZRJFAPSA-N 1 0 442.632 6.215 1 0 IKAFRO C[NH+](C)C12C[C@@H](OC(=O)c3ccncc3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000035048720 563088991 /nfs/dbraw/zinc/08/89/91/563088991.db2.gz XSEUUZDQHJQKOZ-OTPDJTCMSA-N 1 0 426.560 5.289 1 0 IKAFRO Clc1ccc([C@](Cn2ccnc2)(c2ccccc2)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000035246412 563089654 /nfs/dbraw/zinc/08/96/54/563089654.db2.gz PQNPIYFCNWCJSH-MUUNZHRXSA-N 1 0 442.006 6.167 1 0 IKAFRO FC(F)(F)c1cc(COC[C@]2(c3ccccc3)CCC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000035951853 563090556 /nfs/dbraw/zinc/09/05/56/563090556.db2.gz QLXHEEVESGWCHN-FQEVSTJZSA-N 1 0 431.420 5.952 1 0 IKAFRO C[NH+](C)[C@H]1CC[C@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1 ZINC000035998238 563090705 /nfs/dbraw/zinc/09/07/05/563090705.db2.gz QHPRLDAGUGKEPY-SFTDATJTSA-N 1 0 445.447 6.293 1 0 IKAFRO C[N@@H+]1CC[C@@](O)(c2ccc(Cl)c(Cl)c2)[C@H]([C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000036177275 563091612 /nfs/dbraw/zinc/09/16/12/563091612.db2.gz RRWQOIKRLCJAFP-FASAQXTFSA-N 1 0 435.178 5.173 1 0 IKAFRO O=C(NCc1ccccc1)Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@@H+](CC1CCC1)CC3 ZINC000036221705 563092133 /nfs/dbraw/zinc/09/21/33/563092133.db2.gz VTNMTWBEHGIRGV-ONDZYYNLSA-N 1 0 444.619 5.834 1 0 in-vivo IKAFRO O=C(NCc1ccccc1)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](CC1CC1)CC3 ZINC000036221694 563092142 /nfs/dbraw/zinc/09/21/42/563092142.db2.gz VSBFHNWLJXFFTK-DKRHUIDYSA-N 1 0 430.592 5.444 1 0 in-vivo IKAFRO Cc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(c2ccccc2[C@H]([NH3+])CC(C)C)CC1 ZINC000036285795 563092453 /nfs/dbraw/zinc/09/24/53/563092453.db2.gz AYSIBBJRBGIMSJ-HYBUGGRVSA-N 1 0 442.047 5.222 1 0 IKAFRO Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@@H]2CO[C@@H](c2ccccc2)c2ccc(Cl)cc2)[N@@H+]3C)cc1 ZINC000036270773 563092455 /nfs/dbraw/zinc/09/24/55/563092455.db2.gz SWUYKZCLBQJENR-DKHHQXCASA-N 1 0 446.034 7.021 1 0 IKAFRO Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@@H]2COC(c2ccc(F)cc2)c2ccc(F)cc2)[N@@H+]3C)cc1 ZINC000036270744 563092464 /nfs/dbraw/zinc/09/24/64/563092464.db2.gz WXEOOMWVKIXGIR-HPQIJTKRSA-N 1 0 447.569 6.646 1 0 IKAFRO Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@H]2CO[C@@H](c2ccccc2)c2ccc(Cl)cc2)[N@@H+]3C)cc1 ZINC000036270782 563092503 /nfs/dbraw/zinc/09/25/03/563092503.db2.gz SWUYKZCLBQJENR-QZLCNWOESA-N 1 0 446.034 7.021 1 0 IKAFRO C[C@@H]1O[C@H](OC(=O)C(C)(C)C)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)[N@@H+]3C)[C@@H]12 ZINC000036289065 563092576 /nfs/dbraw/zinc/09/25/76/563092576.db2.gz VGEVZGPUSONIIS-FCWAOUHXSA-N 1 0 431.661 5.808 1 0 IKAFRO CCc1ccc(C(=O)CCC[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000036351461 563093296 /nfs/dbraw/zinc/09/32/96/563093296.db2.gz PUNWCEDDQDAMTK-UHFFFAOYSA-N 1 0 441.615 5.860 1 0 IKAFRO CCCCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2[nH+]1 ZINC000036351933 563093521 /nfs/dbraw/zinc/09/35/21/563093521.db2.gz IQVXYTILPWMXFT-MDWZMJQESA-N 1 0 427.470 6.220 1 0 IKAFRO CN(C)C(=O)n1c2ccccc2c2cc(C[NH+]3CCC4(C=Cc5ccccc54)CC3)ccc21 ZINC000038907315 563098543 /nfs/dbraw/zinc/09/85/43/563098543.db2.gz HWKGQRBHDHPWGR-UHFFFAOYSA-N 1 0 435.571 5.885 1 0 IKAFRO CCCN1CN(c2ccccc2)C2(CC[NH+]([C@H]3CCC(C)(C)c4ccccc43)CC2)C1=O ZINC000040394476 563100450 /nfs/dbraw/zinc/10/04/50/563100450.db2.gz JNSDWRYEOZHWLE-VWLOTQADSA-N 1 0 431.624 5.350 1 0 IKAFRO Cc1c(C[NH2+]CCC(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040394915 563100664 /nfs/dbraw/zinc/10/06/64/563100664.db2.gz LAKGACVFDNZCGM-UHFFFAOYSA-N 1 0 436.814 6.944 1 0 IKAFRO Oc1cccc(C2=C(c3ccc(OCC[NH+]4CCCC4)cc3)c3ccc(F)cc3OCC2)c1 ZINC000040395666 563100839 /nfs/dbraw/zinc/10/08/39/563100839.db2.gz FDIUAXKVVLMXEX-UHFFFAOYSA-N 1 0 445.534 5.748 1 0 IKAFRO C[NH+](C)CCCn1c(-c2cncc(-c3cc4cc(O)ccc4[nH]3)c2)cc2cc(O)ccc21 ZINC000040408339 563101516 /nfs/dbraw/zinc/10/15/16/563101516.db2.gz IDQOHVTWZSGBIN-UHFFFAOYSA-N 1 0 426.520 5.215 1 0 IKAFRO CC[C@@H]1CCC[N@@H+]1CN1C(=O)c2cccc3c4sc(-c5ccccc5)nc4cc(c32)C1=O ZINC000040423932 563102778 /nfs/dbraw/zinc/10/27/78/563102778.db2.gz FDDSLXCCTPEFEX-QGZVFWFLSA-N 1 0 441.556 5.544 1 0 IKAFRO CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C=C(OC(=O)c5ccc[n+](C)c5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000040440526 563103707 /nfs/dbraw/zinc/10/37/07/563103707.db2.gz PSAMJNTVCXXGNY-RBZOMFCXSA-N 1 0 434.600 5.330 1 0 IKAFRO CN(C)CC[NH2+][C@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000040567112 563105040 /nfs/dbraw/zinc/10/50/40/563105040.db2.gz MVDFMYVUBRPBLN-LJQANCHMSA-N 1 0 434.424 5.133 1 0 IKAFRO COc1cc(NC(=O)c2ccc(C3CCCCC3)cc2)ccc1O[C@@]12CC[N@H+](C1)CCC2 ZINC000040567157 563105066 /nfs/dbraw/zinc/10/50/66/563105066.db2.gz JMLAROVVORWCQW-MHZLTWQESA-N 1 0 434.580 5.612 1 0 IKAFRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1C(C)=O ZINC000040567991 563105116 /nfs/dbraw/zinc/10/51/16/563105116.db2.gz XOLDVQNALWGUGS-UHFFFAOYSA-N 1 0 430.548 5.529 1 0 IKAFRO O=C1CC2([NH+]3CCCCC3)C[C@H](c3ccc(Cl)cc3)C1[C@@H](c1ccc(Cl)cc1)C2 ZINC000040575518 563105233 /nfs/dbraw/zinc/10/52/33/563105233.db2.gz OSJACWKUJFTZTI-FFMTYJSISA-N 1 0 428.403 6.468 1 0 IKAFRO C[NH+](C)C12C[C@@H](OC(=O)CN3CCCCC3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000040592713 563105534 /nfs/dbraw/zinc/10/55/34/563105534.db2.gz CWVOPLAUUGTKDU-IEVNGSTESA-N 1 0 446.635 5.066 1 0 IKAFRO O=C1CC2([NH+]3CCCCC3)C[C@H](c3ccc(Cl)cc3)C(N1)[C@@H](c1ccc(Cl)cc1)C2 ZINC000040753886 563106245 /nfs/dbraw/zinc/10/62/45/563106245.db2.gz FLLLBCDDNIMNCZ-FFMTYJSISA-N 1 0 443.418 5.768 1 0 IKAFRO O=c1c(CC[NH+]2CCC(=C(c3ccccc3)c3ccc(F)cc3)CC2)cnc2sccn21 ZINC000040847170 563107591 /nfs/dbraw/zinc/10/75/91/563107591.db2.gz FYUAGWOYYOKPDP-UHFFFAOYSA-N 1 0 445.563 5.036 1 0 IKAFRO Cc1ccnc(C)c1C(=O)NCC[N@@H+]1CCC[C@@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000040862148 563108159 /nfs/dbraw/zinc/10/81/59/563108159.db2.gz DLNFWGCPPFODIC-DEOSSOPVSA-N 1 0 441.619 5.362 1 0 IKAFRO Cc1ccnc(C)c1C(=O)NCC[N@@H+]1CCC[C@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000040862146 563108205 /nfs/dbraw/zinc/10/82/05/563108205.db2.gz DLNFWGCPPFODIC-XMMPIXPASA-N 1 0 441.619 5.362 1 0 IKAFRO C(=C/c1ccccc1)\CN1CC[NH+](CCCCCn2c3ccccc3c3ccccc32)CC1 ZINC000040874248 563109251 /nfs/dbraw/zinc/10/92/51/563109251.db2.gz CBHDUGHUMBTQQO-SDNWHVSQSA-N 1 0 437.631 6.296 1 0 IKAFRO Cc1noc([C@@H]2[C@H]3CC[C@@H](C[C@@H]2c2ccc(Cl)cc2)[N@H+]3C)c1-c1ccc(Cl)cc1 ZINC000040894290 563110218 /nfs/dbraw/zinc/11/02/18/563110218.db2.gz FEEIOKZAYVOGGS-GNXKAVGDSA-N 1 0 427.375 6.691 1 0 IKAFRO CNC(=O)c1cc(Oc2ccc3c(c2)[nH+]c(Nc2cccc(C(C)(C)C)c2)n3C)ccn1 ZINC000040895399 563110387 /nfs/dbraw/zinc/11/03/87/563110387.db2.gz SILANKVZJSUJHJ-UHFFFAOYSA-N 1 0 429.524 5.161 1 0 IKAFRO O=C(c1ccc(F)cc1)C1CC[NH+](C[C@H]2Cc3oc(-c4ccccc4)cc3C(=O)C2)CC1 ZINC000040954905 563114576 /nfs/dbraw/zinc/11/45/76/563114576.db2.gz KUGRYKPJVWPSLO-GOSISDBHSA-N 1 0 431.507 5.426 1 0 IKAFRO Fc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000040972403 563114812 /nfs/dbraw/zinc/11/48/12/563114812.db2.gz ILIWVAFIMXCJTB-UHFFFAOYSA-N 1 0 430.527 5.481 1 0 IKAFRO O=c1oc(-c2ccc(OCC[NH+]3CCCC3)cc2)cc(-c2ccccc2)c1-c1ccccc1 ZINC000040973803 563115114 /nfs/dbraw/zinc/11/51/14/563115114.db2.gz GOJZHSIDAYQKGX-UHFFFAOYSA-N 1 0 437.539 6.115 1 0 IKAFRO CCCC[NH+](CCCC)CCCOc1cc(=O)c2c(O)c(-c3ccc(O)cc3)coc-2c1 ZINC000040976634 563115353 /nfs/dbraw/zinc/11/53/53/563115353.db2.gz KLTMGMMQIGZVQS-UHFFFAOYSA-N 1 0 439.552 5.542 1 0 IKAFRO Cc1c(C[NH2+]C2CCCC2)oc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000042966050 563116271 /nfs/dbraw/zinc/11/62/71/563116271.db2.gz PDPBVSPIXUVWNZ-UHFFFAOYSA-N 1 0 434.794 7.914 1 0 IKAFRO Clc1ccc(-c2sc(C[NH2+]C3CCCC3)nc2-c2ccc(Cl)cc2Cl)cc1 ZINC000043017945 563116970 /nfs/dbraw/zinc/11/69/70/563116970.db2.gz DLKTWVMWTIYSQJ-UHFFFAOYSA-N 1 0 437.823 7.470 1 0 IKAFRO O=C(N[C@H]1CCC[N@@H+](Cc2ccc3cc(F)ccc3c2)C1)c1ccccc1-c1ccccc1 ZINC000043020087 563117132 /nfs/dbraw/zinc/11/71/32/563117132.db2.gz GDDUTDROJXVVIG-SANMLTNESA-N 1 0 438.546 6.040 1 0 IKAFRO CC(C)(C)c1ccc(C[NH2+]CCCCNC(=O)CCCCCCC(=O)c2ncco2)cc1 ZINC000043067866 563117925 /nfs/dbraw/zinc/11/79/25/563117925.db2.gz QLPLVJVGFDDGNC-UHFFFAOYSA-N 1 0 441.616 5.182 1 0 IKAFRO c1ccc([C@@H]2Sc3ccccc3O[C@@H]2c2ccc(OCCC[NH+]3CCCC3)cc2)cc1 ZINC000043079652 563118455 /nfs/dbraw/zinc/11/84/55/563118455.db2.gz RIDRYHZYVUEBMC-SXOMAYOGSA-N 1 0 431.601 6.518 1 0 IKAFRO c1c2cc(C3=[NH+]CCN3)ccc2oc1-c1ccc(OCCCCCOc2ccccc2)cc1 ZINC000043079526 563118456 /nfs/dbraw/zinc/11/84/56/563118456.db2.gz RXDLLYICMLLDST-UHFFFAOYSA-N 1 0 440.543 6.078 1 0 IKAFRO Cc1c(C[NH2+]C2CCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000043120423 563118827 /nfs/dbraw/zinc/11/88/27/563118827.db2.gz KMEIRKGQUYYTLI-UHFFFAOYSA-N 1 0 434.798 6.840 1 0 IKAFRO O=C(c1ccccc1-c1ccccc1)N1CCC[N@@H+](Cc2ccc3cc(F)ccc3c2)CC1 ZINC000043122241 563119006 /nfs/dbraw/zinc/11/90/06/563119006.db2.gz RXVREQSWUAZTFH-UHFFFAOYSA-N 1 0 438.546 5.994 1 0 IKAFRO O=C(Nc1ccc(OC2CC[NH+](Cc3ccc(F)cc3)CC2)c(Cl)c1)c1ccccc1 ZINC000045167096 563122337 /nfs/dbraw/zinc/12/23/37/563122337.db2.gz ANXHBRNTSNYSTC-UHFFFAOYSA-N 1 0 438.930 5.775 1 0 IKAFRO CCN(CCC[NH+]1CCCCC1)c1cc(C)nc(Nc2cc(Br)ccc2C)n1 ZINC000045167436 563122377 /nfs/dbraw/zinc/12/23/77/563122377.db2.gz BOZKEGRGDKSWPF-UHFFFAOYSA-N 1 0 446.437 5.302 1 0 IKAFRO COc1cc2[nH+]ccc(Nc3ccc(OCc4ccc(NC(C)=O)cc4)cc3)c2cc1OC ZINC000045167978 563122462 /nfs/dbraw/zinc/12/24/62/563122462.db2.gz LHQUBDDYTRQULS-UHFFFAOYSA-N 1 0 443.503 5.533 1 0 IKAFRO O=c1cc(NC[C@H]2CCC[C@@H]2[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)[nH]c2ccccc12 ZINC000045168250 563122559 /nfs/dbraw/zinc/12/25/59/563122559.db2.gz KELHIBZWIZFRJT-GQOCTPOGSA-N 1 0 426.564 5.257 1 0 IKAFRO COc1ccc(NC(=O)[C@H](CC(C)C)Nc2cc(C)[nH+]c(NCc3cccc(C)c3)n2)cc1 ZINC000045168096 563122566 /nfs/dbraw/zinc/12/25/66/563122566.db2.gz JYMYROZZCNQHGG-QHCPKHFHSA-N 1 0 447.583 5.179 1 0 IKAFRO C[NH+](C)Cc1cccc(-c2ccc(Nc3nccc(NC[C@@H](O)c4ccccc4)n3)cc2)c1 ZINC000045168533 563122570 /nfs/dbraw/zinc/12/25/70/563122570.db2.gz HXRMFEWCMLWECW-RUZDIDTESA-N 1 0 439.563 5.094 1 0 IKAFRO O=c1cc(NCCC[NH2+]Cc2cc3ccc(Br)cc3s2)[nH]c2ccccc12 ZINC000045186804 563122779 /nfs/dbraw/zinc/12/27/79/563122779.db2.gz NEJYSTWZCPGGMD-UHFFFAOYSA-N 1 0 442.382 5.097 1 0 IKAFRO CC(C)c1ccc(NC(=O)c2ccc(C(=O)N[C@@H]3CC[N@H+](CC4CCCCC4)C3)cc2)cc1 ZINC000045187623 563122887 /nfs/dbraw/zinc/12/28/87/563122887.db2.gz OMFVWFCAPZAQKA-AREMUKBSSA-N 1 0 447.623 5.447 1 0 IKAFRO CCc1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)c3cc(-c4ccccc4F)cs3)C2)cc1 ZINC000045188170 563122973 /nfs/dbraw/zinc/12/29/73/563122973.db2.gz PFYMINPRRIGVTI-JOCHJYFZSA-N 1 0 436.596 5.901 1 0 IKAFRO O=C(Nc1cccc(CN2CCC[N@H+](CC3CC3)CC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000045188729 563123138 /nfs/dbraw/zinc/12/31/38/563123138.db2.gz KLGSEDDMTPXWPK-UHFFFAOYSA-N 1 0 432.395 5.163 1 0 IKAFRO Cc1cccc2[nH]c(-c3ccc(-c4ccc(C(=O)NCC[NH+]5CCCC5)cc4)s3)nc21 ZINC000045189178 563123246 /nfs/dbraw/zinc/12/32/46/563123246.db2.gz ACVDOWGKYSRWPG-UHFFFAOYSA-N 1 0 430.577 5.092 1 0 IKAFRO Cc1ccc(NC(=O)c2ccc3ncccc3c2)cc1O[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000045190032 563123279 /nfs/dbraw/zinc/12/32/79/563123279.db2.gz QECZAEZKWFZJRH-HSZRJFAPSA-N 1 0 443.572 5.510 1 0 IKAFRO C[N@@H+]1CC[C@@H](Oc2cc(C(=O)NCc3ccc(Cl)c(Cl)c3)ccc2C(F)(F)F)C1 ZINC000045189967 563123292 /nfs/dbraw/zinc/12/32/92/563123292.db2.gz VONWQXBPOJQGSE-CQSZACIVSA-N 1 0 447.284 5.025 1 0 IKAFRO C[NH2+]Cc1cccc2[nH]c(-c3csc(Cc4cc(Cl)ccc4OCC(C)C)n3)nc21 ZINC000045189672 563123310 /nfs/dbraw/zinc/12/33/10/563123310.db2.gz MWBPTPIDXACRGE-UHFFFAOYSA-N 1 0 441.000 5.685 1 0 IKAFRO C[C@H](CCCCC(=O)Nc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000045190318 563123466 /nfs/dbraw/zinc/12/34/66/563123466.db2.gz CFAYACFPSAGJTJ-FOIQADDNSA-N 1 0 442.909 5.569 1 0 IKAFRO C[C@@H](CCCCC(=O)Nc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000045190315 563123499 /nfs/dbraw/zinc/12/34/99/563123499.db2.gz CFAYACFPSAGJTJ-MGPUTAFESA-N 1 0 442.909 5.569 1 0 IKAFRO CCCCCC[NH2+]CCOc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 ZINC000045191056 563123547 /nfs/dbraw/zinc/12/35/47/563123547.db2.gz AATWGPBYLKOXRS-UHFFFAOYSA-N 1 0 439.603 6.959 1 0 IKAFRO CCCCCC[N@@H+]1CCCN(Cc2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)CC1 ZINC000045190799 563123629 /nfs/dbraw/zinc/12/36/29/563123629.db2.gz PCRKVMABMIPPEY-UHFFFAOYSA-N 1 0 435.656 6.150 1 0 IKAFRO C[NH+](C)CCOc1ccc(-c2cc(-c3ccc(Cl)c(O)c3)c(-c3ccncc3)[nH]2)cc1 ZINC000045191428 563123744 /nfs/dbraw/zinc/12/37/44/563123744.db2.gz ZQBWDQSKGZBZBS-UHFFFAOYSA-N 1 0 433.939 5.710 1 0 IKAFRO Cc1ccc(C(=O)Nc2ccc(Cl)c(N3CC[NH+](CCc4ccccc4)CC3)c2)cc1 ZINC000045192703 563123846 /nfs/dbraw/zinc/12/38/46/563123846.db2.gz PHOWGDYRSJWLKV-UHFFFAOYSA-N 1 0 433.983 5.265 1 0 IKAFRO CCN(CCC[NH+]1CCCCC1)c1cc(C)nc(Nc2cccc(C(F)(F)F)c2C)n1 ZINC000045194042 563124143 /nfs/dbraw/zinc/12/41/43/563124143.db2.gz YZADXJRYOHJZSK-UHFFFAOYSA-N 1 0 435.538 5.558 1 0 IKAFRO O=C(/C=C/c1ccsc1)N1CCC(CC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000045194293 563124148 /nfs/dbraw/zinc/12/41/48/563124148.db2.gz KFEAFHMMBWNXNE-AATRIKPKSA-N 1 0 447.648 5.751 1 0 IKAFRO CC(C)CC[NH+]1CCC(Oc2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000045194497 563124195 /nfs/dbraw/zinc/12/41/95/563124195.db2.gz KQGHUNZZQDPCIB-UHFFFAOYSA-N 1 0 434.502 5.847 1 0 IKAFRO COc1cc(NC(=O)/C=C/c2cccc3ccoc32)ccc1OCC[NH+](C(C)C)C(C)C ZINC000045194640 563124330 /nfs/dbraw/zinc/12/43/30/563124330.db2.gz QGZQOSQXILRZHT-FMIVXFBMSA-N 1 0 436.552 5.591 1 0 IKAFRO Cc1cccc2[nH]c(-c3ccc(-c4cccc(C[NH2+]CCCN5CCCC5=O)c4)s3)nc21 ZINC000045201298 563124702 /nfs/dbraw/zinc/12/47/02/563124702.db2.gz HHEOPMSDWZIATH-UHFFFAOYSA-N 1 0 444.604 5.369 1 0 IKAFRO Cc1ccc(NC(=O)c2ccc3ncccc3c2)cc1OC1CC[NH+](CCC(C)C)CC1 ZINC000045201928 563124817 /nfs/dbraw/zinc/12/48/17/563124817.db2.gz GLGOCLCJMBVWHD-UHFFFAOYSA-N 1 0 431.580 5.685 1 0 IKAFRO O=C(NCC1CC[NH+](C/C=C/c2ccccc2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000045210457 563125264 /nfs/dbraw/zinc/12/52/64/563125264.db2.gz XKPOAEUKUPVGPS-JXMROGBWSA-N 1 0 441.575 6.026 1 0 IKAFRO CC(C)(C)CC[N@@H+]1CC[C@H](CNC(=O)c2cc(-c3cccc(C(F)(F)F)c3)cs2)C1 ZINC000045228185 563125586 /nfs/dbraw/zinc/12/55/86/563125586.db2.gz JMWNJNCWIFNPPX-MRXNPFEDSA-N 1 0 438.559 5.922 1 0 IKAFRO COCC[NH2+]Cc1ccc(-c2ccc3c(c2)nccc3Nc2ccc(Cl)cc2F)o1 ZINC000045227803 563125647 /nfs/dbraw/zinc/12/56/47/563125647.db2.gz WWBHQURSNYIFFB-UHFFFAOYSA-N 1 0 425.891 5.767 1 0 IKAFRO CC(C)CC[N@@H+]1CC[C@H](Oc2ccc(NC(=O)c3ccc4ncccc4c3)cc2Cl)C1 ZINC000045228495 563125730 /nfs/dbraw/zinc/12/57/30/563125730.db2.gz JYPOPVDYXQMKTE-NRFANRHFSA-N 1 0 437.971 5.640 1 0 IKAFRO FC(F)(F)c1cccc(N2CCC(C[NH+]3CCC(c4c[nH]c5ccccc54)CC3)CC2)n1 ZINC000045230449 563126055 /nfs/dbraw/zinc/12/60/55/563126055.db2.gz PGFAIDCMSQXAGR-UHFFFAOYSA-N 1 0 442.529 5.678 1 0 IKAFRO O[C@@H](C[NH2+]Cc1ccccc1)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 ZINC000045230236 563126127 /nfs/dbraw/zinc/12/61/27/563126127.db2.gz WMRFZVDNYFZHFV-LJAQVGFWSA-N 1 0 439.555 5.668 1 0 IKAFRO Cc1ccc(/C=C/C(=O)NC2CCC([NH+]3CCC(c4ccccc4C)CC3)CC2)cc1C ZINC000045231313 563126194 /nfs/dbraw/zinc/12/61/94/563126194.db2.gz YIDFFMAEISNMPP-XNTDXEJSSA-N 1 0 430.636 5.932 1 0 IKAFRO CCCCC[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C=C2C1=CC[N@H+](Cc2ccccc2)CC1 ZINC000045301778 563129301 /nfs/dbraw/zinc/12/93/01/563129301.db2.gz RVTTYHSALMSRNP-QFIPXVFZSA-N 1 0 445.647 7.463 1 0 IKAFRO O=C(Nc1ccc(OC2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1)c1cccs1 ZINC000045302184 563129356 /nfs/dbraw/zinc/12/93/56/563129356.db2.gz QOBAWQCMSNVHCE-UHFFFAOYSA-N 1 0 426.969 5.697 1 0 IKAFRO O=C1Nc2cccc3c2[C@]1(CCCC[N@H+]1CC=C(c2c[nH]c4ncccc24)CC1)CCC3 ZINC000045302069 563129411 /nfs/dbraw/zinc/12/94/11/563129411.db2.gz RXGHVKULHGGCKH-MHZLTWQESA-N 1 0 426.564 5.049 1 0 IKAFRO Nc1c2cc(Oc3ccc(Br)cc3Br)ccc2[nH+]c2c1CCCC2 ZINC000045302814 563129576 /nfs/dbraw/zinc/12/95/76/563129576.db2.gz JMXNMDSRGXWJAQ-UHFFFAOYSA-N 1 0 448.158 6.013 1 0 IKAFRO C[C@H](Cc1ccc(OCCCCOc2ccccc2)cc1)[NH2+]CCc1ccccc1Cl ZINC000045303109 563129724 /nfs/dbraw/zinc/12/97/24/563129724.db2.gz SPQGIUBGGFBSIE-JOCHJYFZSA-N 1 0 438.011 6.341 1 0 IKAFRO Fc1ccc(N(c2nc(-c3cc(F)cc(C(F)(F)F)c3)cs2)C2CC[NH2+]CC2)cc1 ZINC000045303022 563129725 /nfs/dbraw/zinc/12/97/25/563129725.db2.gz TYTTVTGCATWAAW-UHFFFAOYSA-N 1 0 439.453 5.997 1 0 IKAFRO Cc1[nH]c2cc(C)ccc2c1C1=CC[N@H+](CCCC[C@]2(C)c3ccccc3NC2=O)CC1 ZINC000045315459 563129767 /nfs/dbraw/zinc/12/97/67/563129767.db2.gz UIHWGNBWJSMEDG-MUUNZHRXSA-N 1 0 427.592 5.954 1 0 IKAFRO COc1ccc(C[NH2+]Cc2cccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)s3)c2)cc1 ZINC000045322313 563130438 /nfs/dbraw/zinc/13/04/38/563130438.db2.gz DCSNTQSOHMQOSM-UHFFFAOYSA-N 1 0 439.584 6.565 1 0 IKAFRO Fc1cc2c(cn1)C1(CC[NH+](Cc3ccc(Nc4ccc(F)c(F)c4)cc3)CC1)OC2 ZINC000045322848 563130515 /nfs/dbraw/zinc/13/05/15/563130515.db2.gz KTRMFSXYMXPKHJ-UHFFFAOYSA-N 1 0 425.454 5.264 1 0 IKAFRO Cc1ccc(CNC(=O)[C@H](CC(C)C)Nc2cc(C)[nH+]c(NCc3ccccc3C)n2)cc1 ZINC000045323123 563130555 /nfs/dbraw/zinc/13/05/55/563130555.db2.gz PGXXKYRAGXDBGB-DEOSSOPVSA-N 1 0 445.611 5.157 1 0 IKAFRO CCc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cc(-c4ccc(N(C)C)cc4)cs3)C2)cc1 ZINC000045323244 563130684 /nfs/dbraw/zinc/13/06/84/563130684.db2.gz PCMMSRBAVJWIOY-QHCPKHFHSA-N 1 0 433.621 5.048 1 0 IKAFRO Cc1ccccc1C[N@@H+]1CCCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)CC1 ZINC000045324043 563130786 /nfs/dbraw/zinc/13/07/86/563130786.db2.gz QPYCSVSZEBGLDK-UHFFFAOYSA-N 1 0 448.010 5.609 1 0 IKAFRO CN(C)c1ccc(-c2csc(C(=O)NC[C@H]3CC[N@H+](CC4CCCCC4)C3)c2)cc1 ZINC000045323715 563130793 /nfs/dbraw/zinc/13/07/93/563130793.db2.gz CUEDTIKCXGLZCO-HXUWFJFHSA-N 1 0 425.642 5.113 1 0 IKAFRO CNc1ccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)cc3)cc2)cc1 ZINC000045324840 563130860 /nfs/dbraw/zinc/13/08/60/563130860.db2.gz FTJFHONKUPGDAL-UHFFFAOYSA-N 1 0 436.534 6.368 1 0 IKAFRO CCC[NH+]1CCC(c2c[nH]c3ccc(NC(=O)Nc4cccc(Cl)c4Cl)cc32)CC1 ZINC000045334771 563131167 /nfs/dbraw/zinc/13/11/67/563131167.db2.gz OUADXHBDLYXOOM-UHFFFAOYSA-N 1 0 445.394 6.708 1 0 IKAFRO C[NH+](C)Cc1ccc(-c2ccc3c(c2)nccc3Nc2ccc(Oc3ccccn3)cc2)o1 ZINC000045336233 563131512 /nfs/dbraw/zinc/13/15/12/563131512.db2.gz OLBAUZMSOJUPRI-UHFFFAOYSA-N 1 0 436.515 6.487 1 0 IKAFRO COC(=O)[C@H](Oc1cccc(-c2ccc3sc(C(N)=[NH2+])cc3c2)c1)c1ccc(F)cc1 ZINC000045356452 563132622 /nfs/dbraw/zinc/13/26/22/563132622.db2.gz ZZDYUWKZQWIMOJ-JOCHJYFZSA-N 1 0 434.492 5.285 1 0 IKAFRO NC(=[NH2+])c1cc2c(cccc2O[C@H](COC(=O)Nc2cccc(F)c2)c2ccccc2)s1 ZINC000045358241 563132797 /nfs/dbraw/zinc/13/27/97/563132797.db2.gz NRJUHSKIBKTANM-HXUWFJFHSA-N 1 0 449.507 5.693 1 0 IKAFRO C[N@@H+]1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(-c4ccc5[nH]ccc5c4)c3CC[C@@H]21 ZINC000045366585 563133046 /nfs/dbraw/zinc/13/30/46/563133046.db2.gz VABAVSCPQUXQLP-AHKZPQOWSA-N 1 0 428.963 6.129 1 0 IKAFRO CCCC[NH+](CCCC)C[C@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000045366724 563133055 /nfs/dbraw/zinc/13/30/55/563133055.db2.gz AHDMCPDJZBURTG-KRWDZBQOSA-N 1 0 436.440 6.208 1 0 IKAFRO COc1ccccc1C[NH+]1CCC(NC(=O)c2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000045366251 563133084 /nfs/dbraw/zinc/13/30/84/563133084.db2.gz BBMGJHDJJYFFMW-UHFFFAOYSA-N 1 0 440.996 5.472 1 0 IKAFRO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC=C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000045391095 563134049 /nfs/dbraw/zinc/13/40/49/563134049.db2.gz QWFFFANJVXUZLN-QGZVFWFLSA-N 1 0 431.448 6.636 1 0 IKAFRO NC(=[NH2+])c1cc2c(cccc2O[C@H](COC(=O)NCc2ccccc2)c2ccccc2)s1 ZINC000045391168 563134062 /nfs/dbraw/zinc/13/40/62/563134062.db2.gz LYTDWOOGBXMQGQ-OAQYLSRUSA-N 1 0 445.544 5.232 1 0 IKAFRO C[NH+](C)CCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccccc3)nc21 ZINC000045496053 563134441 /nfs/dbraw/zinc/13/44/41/563134441.db2.gz XQRGMQCYPWDDOP-UHFFFAOYSA-N 1 0 442.354 5.182 1 0 IKAFRO O=c1c2ccccc2nc(-c2ccc(OCCC[NH+]3CCCCC3)cc2)n1-c1ccccc1 ZINC000045497084 563134509 /nfs/dbraw/zinc/13/45/09/563134509.db2.gz MDGOMXLQCXHZJE-UHFFFAOYSA-N 1 0 439.559 5.308 1 0 IKAFRO CC1(C)C[C@@H]([NH3+])c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1 ZINC000049035102 563136198 /nfs/dbraw/zinc/13/61/98/563136198.db2.gz JQSKLRZZZNTNOZ-LJQANCHMSA-N 1 0 433.766 6.937 1 0 IKAFRO C[C@H](OC[C@H](O)C[NH2+]C(C)(C)Cc1ccc2ccccc2c1)c1ccc2ccccc2c1 ZINC000049035466 563136312 /nfs/dbraw/zinc/13/63/12/563136312.db2.gz LIIVBMIXDMCLCY-RBTNQOKQSA-N 1 0 427.588 6.042 1 0 IKAFRO C[C@H](OC[C@H](O)C[NH2+]C(C)(C)Cc1ccc2ccccc2c1)c1cccc2ccccc21 ZINC000049036084 563136356 /nfs/dbraw/zinc/13/63/56/563136356.db2.gz JUIIDRHWLOGTIP-HFZDXXHNSA-N 1 0 427.588 6.042 1 0 IKAFRO CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=C4NC(=[NH2+])O[C@@]45CCCC[C@]5(C)[C@H]3CC[C@]12C ZINC000049112203 563138305 /nfs/dbraw/zinc/13/83/05/563138305.db2.gz MEIRANBOFNPMBG-GWFFWOIYSA-N 1 0 426.689 7.069 1 0 IKAFRO CC(C)C[N@@H+]1CC2(CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000058511801 563143789 /nfs/dbraw/zinc/14/37/89/563143789.db2.gz CRJZLZIFNPMFEE-JOCHJYFZSA-N 1 0 447.957 5.945 1 0 IKAFRO COc1cc(NCCCCCCN2CC[N@H+](CCC(C)C)C[C@H]2C)c2nccc(C)c2c1 ZINC000058507394 563143823 /nfs/dbraw/zinc/14/38/23/563143823.db2.gz RAAKEEBXYAAUGA-HSZRJFAPSA-N 1 0 440.676 5.576 1 0 IKAFRO CC(C)C[NH+]1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc32)CC1 ZINC000058574978 563144770 /nfs/dbraw/zinc/14/47/70/563144770.db2.gz PLMLKPBHGMZTSK-UHFFFAOYSA-N 1 0 444.627 5.214 1 0 IKAFRO CC[NH+](CC)Cc1cc(-c2ccc(F)cc2)n(Nc2ccnc3cc(Cl)ccc32)c1C ZINC000058582175 563145052 /nfs/dbraw/zinc/14/50/52/563145052.db2.gz SPRXXQWZRYCDFI-UHFFFAOYSA-N 1 0 436.962 5.943 1 0 IKAFRO C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)c(-c2ccc(C(F)(F)F)cc2)c1)c1ccccc1 ZINC000058583553 563145230 /nfs/dbraw/zinc/14/52/30/563145230.db2.gz RQHVFCVUHGUXGB-OAHLLOKOSA-N 1 0 439.399 7.122 1 0 IKAFRO CC[NH+](CC)Cc1cc(-c2ccc(C)cc2)n(Nc2ccnc3cc(Cl)ccc32)c1C ZINC000058592764 563145698 /nfs/dbraw/zinc/14/56/98/563145698.db2.gz NMIKFGKXYFLPQH-UHFFFAOYSA-N 1 0 432.999 6.112 1 0 IKAFRO O=c1cc(-c2ccc3ccccc3c2)ccn1-c1ccc2c(cnn2CC[NH+]2CCCC2)c1 ZINC000059081589 563146146 /nfs/dbraw/zinc/14/61/46/563146146.db2.gz LBDSKHNXJVSKRI-UHFFFAOYSA-N 1 0 434.543 5.103 1 0 IKAFRO Cc1cc(N2CC[C@@H]([N@H+]3CCC[C@@H]3C)C2)ccc1NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000059260215 563146453 /nfs/dbraw/zinc/14/64/53/563146453.db2.gz TXYHNJMNQMYNTO-HRAATJIYSA-N 1 0 447.410 6.009 1 0 IKAFRO c1ccc([C@H]2[C@H]3C[N@@H+](Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cc1 ZINC000059830575 563146717 /nfs/dbraw/zinc/14/67/17/563146717.db2.gz NUJHFKHMMFVVEU-LMBSYKFDSA-N 1 0 443.594 6.165 3 0 IKAFRO O=C1c2cc(Cl)ccc2Oc2ccccc2C12CC[NH+](CCCOc1ccccc1)CC2 ZINC000060051744 563146942 /nfs/dbraw/zinc/14/69/42/563146942.db2.gz DHLGVAVQSFJJFE-UHFFFAOYSA-N 1 0 447.962 6.131 1 0 IKAFRO Cc1cccnc1[C@H](NC(=O)C1CC[NH+](CCCc2ccccc2)CC1)c1ccc(F)cc1 ZINC000061896232 563147341 /nfs/dbraw/zinc/14/73/41/563147341.db2.gz IUOLIQTVGUZOOK-HHHXNRCGSA-N 1 0 445.582 5.080 3 0 IKAFRO [NH3+][C@@H](Cc1ccc(Cl)cc1)c1csc(Nc2ccc(C(=O)c3ccccc3)cc2)n1 ZINC000061897078 563147530 /nfs/dbraw/zinc/14/75/30/563147530.db2.gz WBFSORXEGIHBOK-NRFANRHFSA-N 1 0 433.964 6.014 3 0 IKAFRO [NH3+][C@H](Cc1ccc(Cl)cc1)c1csc(NC(=O)Nc2ccccc2-c2ccccc2)n1 ZINC000061896987 563147532 /nfs/dbraw/zinc/14/75/32/563147532.db2.gz RKMFZHDUEWMPDC-HXUWFJFHSA-N 1 0 448.979 6.350 3 0 IKAFRO C[C@H](NC(=O)C1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1cccc2ccccc21 ZINC000061897583 563147609 /nfs/dbraw/zinc/14/76/09/563147609.db2.gz YSFSGKBBGFAUKW-IBGZPJMESA-N 1 0 436.983 5.461 3 0 IKAFRO [NH3+][C@H](CCc1ccccc1)c1csc(NC(=O)Nc2ccccc2Oc2ccccc2)n1 ZINC000061902419 563147753 /nfs/dbraw/zinc/14/77/53/563147753.db2.gz NWCNCPBWKMSUBJ-HXUWFJFHSA-N 1 0 444.560 6.212 3 0 IKAFRO Cc1cccnc1[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000061904852 563148230 /nfs/dbraw/zinc/14/82/30/563148230.db2.gz CDUAOFULRHOUCU-RUZDIDTESA-N 1 0 433.983 5.161 3 0 IKAFRO COc1ccc(NC(=O)Nc2nc([C@@H]([NH3+])Cc3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC000061906965 563148637 /nfs/dbraw/zinc/14/86/37/563148637.db2.gz MLIYVMWGGOYHEY-INIZCTEOSA-N 1 0 436.459 5.057 3 0 IKAFRO CC(C)c1ccccc1NC(=O)Nc1nc([C@@H]([NH3+])Cc2ccc(C(F)(F)F)cc2)cs1 ZINC000061907258 563148728 /nfs/dbraw/zinc/14/87/28/563148728.db2.gz XGDQASHXOSFDIP-KRWDZBQOSA-N 1 0 448.514 6.172 3 0 IKAFRO CC(=O)c1cc2cccc(O[C@@]3(C)CC[N@H+](Cc4ccc(-c5ccccn5)cc4)C3)c2o1 ZINC000061907734 563148898 /nfs/dbraw/zinc/14/88/98/563148898.db2.gz BNZVULXUJTVIDV-MHZLTWQESA-N 1 0 426.516 5.741 3 0 IKAFRO Cc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(-c4ccc(F)cc4)nn3)C[N@@H+]2CC2CCCCC2)cc1 ZINC000061923673 563149559 /nfs/dbraw/zinc/14/95/59/563149559.db2.gz UTYLZLRTMAUBIK-PVHODMMVSA-N 1 0 448.586 5.322 3 0 IKAFRO COc1ccc(C[C@@H]([NH3+])c2csc(NC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000061927423 563150219 /nfs/dbraw/zinc/15/02/19/563150219.db2.gz JLZWGSJGQXOFSY-MRXNPFEDSA-N 1 0 436.459 5.057 3 0 IKAFRO C[C@@]1(Oc2cnc(Cl)c3ccccc23)CC[N@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC000061929968 563150561 /nfs/dbraw/zinc/15/05/61/563150561.db2.gz SXIDRLZLOWXGLJ-AREMUKBSSA-N 1 0 429.951 5.994 3 0 IKAFRO COc1ccc2sc(-c3cccc(OC)c3)c(-c3ccc(OCC[NH+](C)C)cc3)c2c1 ZINC000061947972 563151548 /nfs/dbraw/zinc/15/15/48/563151548.db2.gz GSFVSUDIBTYRBH-UHFFFAOYSA-N 1 0 433.573 6.193 3 0 IKAFRO Cc1cccc(C)c1Oc1c(C(=O)N2CC[NH2+]CC2)c2ccccc2n1-c1ccccc1 ZINC000064503535 563153861 /nfs/dbraw/zinc/15/38/61/563153861.db2.gz FSNOEGXMPUTDQI-UHFFFAOYSA-N 1 0 425.532 5.085 1 0 IKAFRO COc1ccc2cc(C[NH2+]CCc3ccc(Br)cc3)c(-c3ccco3)nc2c1 ZINC000064540497 563155352 /nfs/dbraw/zinc/15/53/52/563155352.db2.gz QYBKVSZHIRENLV-UHFFFAOYSA-N 1 0 437.337 5.598 1 0 IKAFRO O=C(OCc1ccc(Cl)c(Cl)c1)C1(c2ccc(Cl)c(Cl)c2)CC[NH2+]CC1 ZINC000064560856 563156271 /nfs/dbraw/zinc/15/62/71/563156271.db2.gz WHTXTCSJMUQJTO-UHFFFAOYSA-N 1 0 433.162 5.665 1 0 IKAFRO CC(C)C[NH2+]C1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 ZINC000064572975 563156423 /nfs/dbraw/zinc/15/64/23/563156423.db2.gz TYZKGTMEWCRMDR-UHFFFAOYSA-N 1 0 428.020 5.471 1 0 IKAFRO Cc1ccc2cc(-c3n[nH]c4ccc(NC5CC[NH+](Cc6ccccc6)CC5)cc43)[nH]c2c1 ZINC000066077826 563157769 /nfs/dbraw/zinc/15/77/69/563157769.db2.gz DWXFUBUNKOCZDN-UHFFFAOYSA-N 1 0 435.575 6.096 1 0 IKAFRO FC(F)(F)c1ccccc1CN[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000066097772 563157932 /nfs/dbraw/zinc/15/79/32/563157932.db2.gz BRSPKADPJUUTJG-PMACEKPBSA-N 1 0 430.436 5.915 1 0 IKAFRO O=C(CCC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)N[C@@H](c1ccccc1)N2 ZINC000066099406 563158110 /nfs/dbraw/zinc/15/81/10/563158110.db2.gz KGNFAYMSUAICCE-NDEPHWFRSA-N 1 0 425.576 6.098 1 0 IKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2nc(C(F)(F)F)cc(C)c2c1-c1cccc(C)c1 ZINC000066103472 563158565 /nfs/dbraw/zinc/15/85/65/563158565.db2.gz DOUBAAUEXPRTNT-MRXNPFEDSA-N 1 0 431.502 6.085 1 0 IKAFRO Cc1ccc(C2(O)CC[NH+](CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000066251099 563159892 /nfs/dbraw/zinc/15/98/92/563159892.db2.gz KBEHDKMPDCAKFO-UHFFFAOYSA-N 1 0 435.558 6.169 1 0 IKAFRO O=C(CCSC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1c2ccccc2Sc2ccccc21 ZINC000071295329 563161618 /nfs/dbraw/zinc/16/16/18/563161618.db2.gz IIZZRBFBRZRZER-VQTJNVASSA-N 1 0 438.662 6.204 1 0 IKAFRO COc1ccc([C@H]2C[N@H+](CCc3ccccc3)C[C@@H]2CNC(=O)c2cccc(Cl)c2)cc1 ZINC000071330027 563162491 /nfs/dbraw/zinc/16/24/91/563162491.db2.gz XVZKTEWBPLMNOV-JYFHCDHNSA-N 1 0 448.994 5.037 1 0 IKAFRO C[C@@H]([NH2+]C[C@@H]1NS(=O)(=O)c2ccccc2-c2ccccc21)c1cccc2ccccc21 ZINC000072109944 563163322 /nfs/dbraw/zinc/16/33/22/563163322.db2.gz ZKVSEDABNBOCTA-CJAUYULYSA-N 1 0 428.557 5.191 1 0 IKAFRO O=C1Nc2ccc(F)cc2[C@H]1CCCC[N@H+]1CC=C(c2cccc(C(F)(F)F)c2)CC1 ZINC000072140993 563164555 /nfs/dbraw/zinc/16/45/55/563164555.db2.gz AFFLRZAJRVFCHF-HXUWFJFHSA-N 1 0 432.461 5.840 1 0 IKAFRO CC[C@]1(CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc2NC1=O ZINC000072140989 563164561 /nfs/dbraw/zinc/16/45/61/563164561.db2.gz XYUHOLLIDTYVJU-DEOSSOPVSA-N 1 0 445.529 5.298 1 0 IKAFRO O[C@@H]1C[N@H+](CC2CCCCC2)[C@@H](c2ccccc2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000072142525 563164757 /nfs/dbraw/zinc/16/47/57/563164757.db2.gz NVLOOEBBXPYQSB-UODIDJSMSA-N 1 0 434.559 5.014 1 0 IKAFRO CC[NH2+]Cc1cncc(-c2ccc3[nH]nc(-c4nc(-c5cccc(F)c5)c[nH]4)c3c2)c1C ZINC000072176226 563165586 /nfs/dbraw/zinc/16/55/86/563165586.db2.gz MBYFNXKFMGMIKV-UHFFFAOYSA-N 1 0 426.499 5.239 1 0 IKAFRO CCC[N@@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OC(=O)CSc2ccccc2)c1-3 ZINC000072176170 563165598 /nfs/dbraw/zinc/16/55/98/563165598.db2.gz LSKSSWIRNDMQHX-QHCPKHFHSA-N 1 0 429.585 5.917 1 0 IKAFRO CCC[N@@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)Nc2cccc4ccccc42)c1-3 ZINC000072176064 563165605 /nfs/dbraw/zinc/16/56/05/563165605.db2.gz GSEIFCYYFLMJKI-AREMUKBSSA-N 1 0 448.566 6.983 1 0 IKAFRO O=C(N[C@@H](c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1)c1ccc2cnc(F)cc2c1 ZINC000072178715 563166272 /nfs/dbraw/zinc/16/62/72/563166272.db2.gz QFMBYPBOVSGXGC-OAQYLSRUSA-N 1 0 432.326 5.151 1 0 IKAFRO COc1cc2cnccc2cc1C(=O)N[C@H](c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000072178698 563166291 /nfs/dbraw/zinc/16/62/91/563166291.db2.gz MJONRYHHUGUWTD-QFIPXVFZSA-N 1 0 444.362 5.021 1 0 IKAFRO O[C@H](C[NH2+]CCNc1ccccc1)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000072180498 563166962 /nfs/dbraw/zinc/16/69/62/563166962.db2.gz WZUAFJLQIZBGCG-QGZVFWFLSA-N 1 0 443.391 5.008 1 0 IKAFRO O=C(Nc1ccccc1)c1ccc(OCCC[NH+]2CCCC2)cc1OCc1cccc(F)c1 ZINC000072183557 563167676 /nfs/dbraw/zinc/16/76/76/563167676.db2.gz QVJDNWLZJIZKGA-UHFFFAOYSA-N 1 0 448.538 5.522 1 0 IKAFRO CCN(Cc1coc(-c2ccc(Br)cc2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072184142 563167788 /nfs/dbraw/zinc/16/77/88/563167788.db2.gz VASKGEOBOYXLJS-JOCHJYFZSA-N 1 0 440.385 5.201 1 0 IKAFRO Fc1ccccc1N1CCC([NH2+][C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072184712 563167880 /nfs/dbraw/zinc/16/78/80/563167880.db2.gz DRQPQGJCMCMGNE-QHCPKHFHSA-N 1 0 429.461 5.588 1 0 IKAFRO CCCCC[C@@H](C)[NH2+]Cc1coc(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)n1 ZINC000072184969 563167991 /nfs/dbraw/zinc/16/79/91/563167991.db2.gz JVRPGOWYIPUHKF-QGZVFWFLSA-N 1 0 447.406 7.286 1 0 IKAFRO Fc1ccccc1OC1CC[NH+]([C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072186295 563168276 /nfs/dbraw/zinc/16/82/76/563168276.db2.gz XBVPAFMFTNIRSV-QHCPKHFHSA-N 1 0 430.445 5.872 1 0 IKAFRO Cn1nc(-c2ccc(F)cc2)cc1C1(c2ccccc2)CC[NH+](CCc2ccccc2)CC1 ZINC000072317991 563168531 /nfs/dbraw/zinc/16/85/31/563168531.db2.gz VIVOBSWXTFTPSV-UHFFFAOYSA-N 1 0 439.578 5.851 1 0 IKAFRO CC(C)c1c(OC[C@@H](O)C[NH2+]Cc2ccccc2)ccc2c1CC[C@H]1C(C)(C)CCC[C@]21C ZINC000073198207 563169970 /nfs/dbraw/zinc/16/99/70/563169970.db2.gz MWMMCUURYAJKBS-DCABOPQKSA-N 1 0 449.679 6.370 1 0 IKAFRO Nc1scc(CN2CC[NH+](C3CCCCCC3)CC2)c1C(=O)c1ccc(Cl)cc1 ZINC000073223837 563170943 /nfs/dbraw/zinc/17/09/43/563170943.db2.gz AZYUIXUQGNQGEY-UHFFFAOYSA-N 1 0 432.033 5.055 1 0 IKAFRO FC(F)(F)Oc1ccc(C[NH+]2CCC3(CC2)O[C@H](c2ccccn2)c2ccccc23)cc1 ZINC000073276004 563171658 /nfs/dbraw/zinc/17/16/58/563171658.db2.gz JAPIDKMATJUVAF-QHCPKHFHSA-N 1 0 440.465 5.591 1 0 IKAFRO CO[C@H]1CC[C@]2(C)[C@H]3CC4=C(C)C[C@]5(CC[C@H]4[C@@H]3CC[C@@H]2C1)O[C@@H]1C[C@H](C)C[NH2+][C@H]1[C@H]5C ZINC000081181138 563172890 /nfs/dbraw/zinc/17/28/90/563172890.db2.gz NHQNTVJJVVOJQL-NQZSUCSOSA-N 1 0 441.700 6.126 1 0 IKAFRO Clc1ccc(C[C@H]2Cc3ccccc3[C@H]2[NH+]2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000082151869 563173230 /nfs/dbraw/zinc/17/32/30/563173230.db2.gz NUNCZTOTHHYKSZ-RLWLMLJZSA-N 1 0 437.414 6.272 1 0 IKAFRO Clc1ccc(C[C@H]2Cc3ccccc3[C@@H]2[NH+]2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000082151872 563173260 /nfs/dbraw/zinc/17/32/60/563173260.db2.gz NUNCZTOTHHYKSZ-QFQXNSOFSA-N 1 0 437.414 6.272 1 0 IKAFRO Clc1ccc(C[C@@H]2Cc3ccccc3[C@@H]2[NH+]2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000082151877 563173374 /nfs/dbraw/zinc/17/33/74/563173374.db2.gz NUNCZTOTHHYKSZ-HFZDXXHNSA-N 1 0 437.414 6.272 1 0 IKAFRO CCCNc1nc2ccccc2c(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 ZINC000084618976 563174632 /nfs/dbraw/zinc/17/46/32/563174632.db2.gz QUOBQDSHCNHHRB-UHFFFAOYSA-N 1 0 429.499 5.455 1 0 IKAFRO [NH3+]C1CCC(Cn2nc(-c3ccccc3)c3cnc(NCCCc4ccccc4)nc32)CC1 ZINC000084711122 563177443 /nfs/dbraw/zinc/17/74/43/563177443.db2.gz SSWDFFYWXHKOMP-UHFFFAOYSA-N 1 0 440.595 5.056 1 0 IKAFRO Clc1ccc2c(c1)nccc2Nc1ccc2sc(NCC[NH+]3CCCCC3)nc2c1 ZINC000084712330 563177510 /nfs/dbraw/zinc/17/75/10/563177510.db2.gz KWDNXLXOADBIDK-UHFFFAOYSA-N 1 0 438.000 6.139 1 0 IKAFRO Cc1c(OC2CC[NH+](C)CC2)ccc2cc(-c3ccc(OC(F)(F)F)cc3)c(=O)oc12 ZINC000084730162 563178418 /nfs/dbraw/zinc/17/84/18/563178418.db2.gz WGAWKJDWHKFXSK-UHFFFAOYSA-N 1 0 433.426 5.140 1 0 IKAFRO Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc(C[N@H+]3CCC[C@@H]3C)cnc21 ZINC000084729827 563178420 /nfs/dbraw/zinc/17/84/20/563178420.db2.gz AQKXMQBBHLZKDC-SFHVURJKSA-N 1 0 429.564 5.569 1 0 IKAFRO CN(Cc1ccc(O)cc1)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](CC1CCC1)CC3 ZINC000084759194 563179720 /nfs/dbraw/zinc/17/97/20/563179720.db2.gz STDNQQBEKZLXJQ-WIIGKZCBSA-N 1 0 430.636 5.887 1 0 IKAFRO COc1ccc(-c2scc3c2C[C@@H](OC)OC32CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000095552706 563180873 /nfs/dbraw/zinc/18/08/73/563180873.db2.gz AUFQIIRSCHGCMZ-DEOSSOPVSA-N 1 0 435.589 5.460 1 0 IKAFRO Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)C[NH2+]Cc3ccc(O)c4ccccc34)C[C@@H]1O2 ZINC000095557422 563181650 /nfs/dbraw/zinc/18/16/50/563181650.db2.gz UQNWNPAZSAOHFR-QDKQFYOWSA-N 1 0 431.532 5.177 1 0 IKAFRO Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)C[NH2+]Cc3ccc(O)c4ccccc34)C[C@@H]1O2 ZINC000095557421 563181655 /nfs/dbraw/zinc/18/16/55/563181655.db2.gz UQNWNPAZSAOHFR-YLNNLZOCSA-N 1 0 431.532 5.177 1 0 IKAFRO Clc1cccc(C2CC[NH+](CCCCOc3ccc4scnc4c3)CC2)c1Cl ZINC000095557182 563181663 /nfs/dbraw/zinc/18/16/63/563181663.db2.gz DXXXGJIMFKZHRL-UHFFFAOYSA-N 1 0 435.420 6.642 1 0 IKAFRO CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@H]2[C@H]3CC4=C(CCCC4)[C@@]2(CC[N@@H+]3CC2CC2)C1 ZINC000095557892 563181689 /nfs/dbraw/zinc/18/16/89/563181689.db2.gz PVLNUKRKZJPSBR-IXZAQLOYSA-N 1 0 434.624 5.665 1 0 IKAFRO Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)C[NH2+]Cc3ccc4cc(O)ccc4c3)C[C@@H]1O2 ZINC000095557710 563181714 /nfs/dbraw/zinc/18/17/14/563181714.db2.gz OMQIQAFQFORXPJ-GIIVHJRKSA-N 1 0 431.532 5.177 1 0 IKAFRO CC[NH+]1CCN(CCc2ccc([C@@H](c3ccccc3)C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000095558169 563181743 /nfs/dbraw/zinc/18/17/43/563181743.db2.gz ULRNPMQYZHBUNR-QTOQHBCNSA-N 1 0 442.691 6.215 1 0 IKAFRO c1ccc([C@@H](c2ccc(CCCN3CC[NH2+]CC3)cc2)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000095561858 563182495 /nfs/dbraw/zinc/18/24/95/563182495.db2.gz NLPCIAQGLDYVHC-CTSDKZEDSA-N 1 0 428.664 5.873 1 0 IKAFRO CC(C)n1cc2c(c1)c(OCC1CC[NH+](CCc3ccccc3)CC1)nc1ccccc21 ZINC000095565803 563183406 /nfs/dbraw/zinc/18/34/06/563183406.db2.gz GZDHJUWAZOBOGE-UHFFFAOYSA-N 1 0 427.592 6.104 1 0 IKAFRO CC(=O)c1ccccc1NC(=O)c1ccc(OCCCC[n+]2ccc3ccccc3c2)cc1 ZINC000095566223 563183491 /nfs/dbraw/zinc/18/34/91/563183491.db2.gz GZFFGZKUMVGLEU-UHFFFAOYSA-O 1 0 439.535 5.441 1 0 IKAFRO Oc1cccc(-c2sc3ccccc3c2-c2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC000095566313 563183495 /nfs/dbraw/zinc/18/34/95/563183495.db2.gz CHNSXPXNKGSFSO-UHFFFAOYSA-N 1 0 429.585 6.806 3 0 IKAFRO Cc1ccccc1C(=O)NCC1CC[NH+](CCOc2cccc(-c3ccccc3)c2)CC1 ZINC000095572020 563184722 /nfs/dbraw/zinc/18/47/22/563184722.db2.gz KPYHYLWVFLGQPS-UHFFFAOYSA-N 1 0 428.576 5.183 1 0 IKAFRO COCc1ccc(CC[NH+]2CCC(COc3nc4ccccc4c4cn(C)cc43)CC2)cc1 ZINC000095576896 563186130 /nfs/dbraw/zinc/18/61/30/563186130.db2.gz MIVZTSHUBPAZML-UHFFFAOYSA-N 1 0 443.591 5.206 1 0 IKAFRO CN1c2ccccc2C(=O)N(c2ccccc2)[C@@H]1c1ccc(C[NH2+]Cc2ccccc2)s1 ZINC000095584804 563188647 /nfs/dbraw/zinc/18/86/47/563188647.db2.gz TYXPKGCJOAUAFW-AREMUKBSSA-N 1 0 439.584 5.833 1 0 IKAFRO C[N@@H+]1[C@@H]2CC[C@H]1[C@H](C(=O)OCCc1ccc(N=S)cc1)[C@@H](c1ccc(Cl)cc1)C2 ZINC000095585197 563188850 /nfs/dbraw/zinc/18/88/50/563188850.db2.gz ICAAADUJGSYLFX-YUMYIRISSA-N 1 0 428.985 5.054 1 0 IKAFRO C[NH+]1CCC(COCc2cc(C(F)(F)F)cc(C3CC3)n2)(c2cccc(Cl)c2)CC1 ZINC000095589266 563189583 /nfs/dbraw/zinc/18/95/83/563189583.db2.gz PZNXMYGCDJHLCM-UHFFFAOYSA-N 1 0 438.921 5.811 1 0 IKAFRO C[N@@H+]1C[C@H](c2ccccc2)[C@]2(Cc3ccccc3C2=O)[C@@]12c1cccc3cccc(c13)C2=O ZINC000095589838 563189813 /nfs/dbraw/zinc/18/98/13/563189813.db2.gz QNGSRZAVORFRJE-CPESWEKQSA-N 1 0 429.519 5.386 1 0 IKAFRO CC(C)=Cc1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CC[NH+](C)CC2)n1 ZINC000095591117 563190190 /nfs/dbraw/zinc/19/01/90/563190190.db2.gz KIMCCCOLDQMMTA-UHFFFAOYSA-N 1 0 436.493 5.843 1 0 IKAFRO Cc1cccc(C)c1NC(=O)[C@@H](c1cc2ccccc2o1)[NH+]1CCC(c2ccccc2)CC1 ZINC000095602039 563193039 /nfs/dbraw/zinc/19/30/39/563193039.db2.gz CRJBUTSTAXMPMP-MUUNZHRXSA-N 1 0 438.571 6.609 3 0 IKAFRO C[NH2+]Cc1cc(C(=O)OC)ccc1-c1ccc2c(cccc2-c2ccc(C(C)(C)C)cc2)c1 ZINC000095605053 563193900 /nfs/dbraw/zinc/19/39/00/563193900.db2.gz NMIFMHLBZBNVMA-UHFFFAOYSA-N 1 0 437.583 6.977 1 0 IKAFRO Cc1ccc(-n2cc(-c3cccn4nc(Nc5ccc(C6CC[NH2+]CC6)cc5)nc34)cn2)cc1 ZINC000096169794 563195430 /nfs/dbraw/zinc/19/54/30/563195430.db2.gz NKMIMIRRNQWVFS-UHFFFAOYSA-N 1 0 449.562 5.101 1 0 IKAFRO Cc1c(OCCCCCC[N@H+]2CCCC[C@@H]2C)ccc2c(=O)cc(-c3ccccc3)oc12 ZINC000096271271 563196731 /nfs/dbraw/zinc/19/67/31/563196731.db2.gz DWHIUIXHPDJNKC-NRFANRHFSA-N 1 0 433.592 6.582 1 0 IKAFRO CCCOc1ccc(-c2cc(OCC[N@H+](CC)Cc3ccccc3)c3ccccc3n2)cc1 ZINC000096927241 563198083 /nfs/dbraw/zinc/19/80/83/563198083.db2.gz PAGGEXHWKCEKHF-UHFFFAOYSA-N 1 0 440.587 6.592 1 0 IKAFRO CCCOc1ccc(-c2cc(OCC[N@@H+]3CCc4ccccc4C3)c3ccccc3n2)cc1 ZINC000096927236 563198107 /nfs/dbraw/zinc/19/81/07/563198107.db2.gz AICRTCIWQAFNOT-UHFFFAOYSA-N 1 0 438.571 6.128 1 0 IKAFRO CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)C[n+]1c2ccccc2n(C)c1COc1ccccc1 ZINC000012385080 519825940 /nfs/dbraw/zinc/82/59/40/519825940.db2.gz HACNGQQLOZYIEB-HOKHCIIBSA-N 1 0 435.588 5.049 1 0 IKAFRO CC[N@@H+]1CC[C@H]2c3ccccc3N[C@@H]2[C@H]1CCCc1nccc2c3cc(O)ccc3n(C)c21 ZINC000095486025 560061824 /nfs/dbraw/zinc/06/18/24/560061824.db2.gz ZJLMRBDQLLZXAL-BAURHKQJSA-N 1 0 440.591 5.427 1 0 biogenic,in-vitro IKAFRO CC1=C2C[C@@]34[C@@H]5C6=C(CC=C6C[C@]3(C)[C@]2(CC1)[C@H](C)CC41CCCC1)C[C@@H]1CCC[C@@]12C[N@@H+]52 ZINC000085548126 560072160 /nfs/dbraw/zinc/07/21/60/560072160.db2.gz YDRHBDDTJPOUJF-RCNQTEOJSA-N 1 0 441.703 7.737 1 0 biogenic,in-vitro IKAFRO COc1cccc2c1c(OC)cc(C)c2-c1c(OC)cc(OC)c2c1C[C@H](C)[N@H+](C)[C@@H]2C ZINC000013359262 560214936 /nfs/dbraw/zinc/21/49/36/560214936.db2.gz KKJVVBRCACGMIS-DLBZAZTESA-N 1 0 435.564 5.787 1 0 biogenic,in-vitro IKAFRO CC[NH+](CC)CCOc1ccc(N(C)C(=O)c2ccc(-c3ccccc3)cc2)cc1OC ZINC000000594052 562918454 /nfs/dbraw/zinc/91/84/54/562918454.db2.gz INJFRMGWYTUQIH-UHFFFAOYSA-N 1 0 432.564 5.359 1 0 IKAFRO O=C1c2cccc3cccc(c23)N1CC[NH+]1CCC(Cc2c[nH]c3ccc(F)cc23)CC1 ZINC000000597801 562918528 /nfs/dbraw/zinc/91/85/28/562918528.db2.gz WRHKYIREOIGMLR-UHFFFAOYSA-N 1 0 427.523 5.375 1 0 IKAFRO Cc1c(CC[NH+]2CCN(c3cc(C)ccn3)CC2)c2cc(CC(C)C)cc3c2n1CCC3 ZINC000000599028 562918599 /nfs/dbraw/zinc/91/85/99/562918599.db2.gz FAFPTRSSYYJGEX-UHFFFAOYSA-N 1 0 430.640 5.163 1 0 investigational IKAFRO COc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000000607372 562918781 /nfs/dbraw/zinc/91/87/81/562918781.db2.gz HEGQXZUTVJXWNG-UPVQGACJSA-N 1 0 447.406 5.155 1 0 IKAFRO Fc1ccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CC[NH2+]CC3)n2)cc1 ZINC000001487007 562922253 /nfs/dbraw/zinc/92/22/53/562922253.db2.gz XRMIXMGGCDFGRF-UHFFFAOYSA-N 1 0 433.462 5.002 1 0 IKAFRO COc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000001659083 562924126 /nfs/dbraw/zinc/92/41/26/562924126.db2.gz NYJQZRBPKNCCPF-PGRDOPGGSA-N 1 0 443.513 5.995 1 0 IKAFRO COc1ccccc1[C@H](OC[C@H](O)C[NH2+]C(C)(C)Cc1ccc2ccccc2c1)C1CC1 ZINC000001910463 562925384 /nfs/dbraw/zinc/92/53/84/562925384.db2.gz GIOXDGUYBMOVIJ-SHQCIBLASA-N 1 0 433.592 5.288 1 0 IKAFRO O=C(c1ccncc1)N1CCC2(CCC[N@@H+](C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000003955799 562939887 /nfs/dbraw/zinc/93/98/87/562939887.db2.gz GNFFMWVVJSSUKO-UHFFFAOYSA-N 1 0 425.576 5.189 1 0 IKAFRO O=C(Oc1ccccc1)N1CCC2(CC1)CC[NH+](C(c1ccccc1)c1ccccc1)CC2 ZINC000003956081 562939928 /nfs/dbraw/zinc/93/99/28/562939928.db2.gz GTHYZOCCHZCESV-UHFFFAOYSA-N 1 0 440.587 6.153 1 0 IKAFRO O=C(Oc1ccccc1)N1CCC2(CCC[N@@H+](C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000003956031 562939966 /nfs/dbraw/zinc/93/99/66/562939966.db2.gz INENXTJDRLNVLZ-UHFFFAOYSA-N 1 0 440.587 6.153 1 0 IKAFRO COCc1cccc(C[NH+]2CCC(N3C(=O)Nc4ccccc4[C@H]3c3ccccc3)CC2)c1 ZINC000003975341 562940237 /nfs/dbraw/zinc/94/02/37/562940237.db2.gz QVXJYKZYIAVFLK-HHHXNRCGSA-N 1 0 441.575 5.435 1 0 IKAFRO O=C1Nc2ccc(Cl)c3c2[C@@]1(CCCC[N@H+]1CC=C(c2ccc(F)cc2)CC1)CCC3 ZINC000003992517 562940514 /nfs/dbraw/zinc/94/05/14/562940514.db2.gz UWPMACBSCARCRJ-AREMUKBSSA-N 1 0 438.974 5.965 1 0 IKAFRO Cc1noc(C)c1C(=O)N1CCC2(CCC[N@@H+](C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000004238011 562942759 /nfs/dbraw/zinc/94/27/59/562942759.db2.gz KHFVLMBXEWCALZ-UHFFFAOYSA-N 1 0 443.591 5.399 1 0 IKAFRO CC[NH+](CC)CCCN(C(=O)c1cccs1)c1nc(-c2ccc(OC)cc2)cs1 ZINC000004375209 562943139 /nfs/dbraw/zinc/94/31/39/562943139.db2.gz QUFMFZUZPVSFQX-UHFFFAOYSA-N 1 0 429.611 5.259 3 0 IKAFRO O=C(NCCCCCCC[NH+]1CCCCCCC1)C(C1CCCCC1)C1CCCCC1 ZINC000005566853 562944211 /nfs/dbraw/zinc/94/42/11/562944211.db2.gz BPJCPTHVWMHXPT-UHFFFAOYSA-N 1 0 432.737 7.096 3 0 IKAFRO C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H]([NH+]5CCCC5)CC[C@@]43C)[C@@H]1C/C(=C\c1ccncc1)[C@@H]2O ZINC000005596932 562944373 /nfs/dbraw/zinc/94/43/73/562944373.db2.gz SEMWNMDNLBLNSK-RKXRPQCWSA-N 1 0 432.652 5.863 1 0 IKAFRO COc1ccc2c(c1)OCC(c1ccccc1)=C2c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000005640417 562944497 /nfs/dbraw/zinc/94/44/97/562944497.db2.gz UYFNTTSLCDBZMY-UHFFFAOYSA-N 1 0 427.544 5.521 1 0 IKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2nccc(C)c2c1OCCCCCc1ccccc1 ZINC000005931479 562945493 /nfs/dbraw/zinc/94/54/93/562945493.db2.gz FQMWIYZZDKICOP-OAQYLSRUSA-N 1 0 435.612 5.883 1 0 IKAFRO Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000006577797 562947851 /nfs/dbraw/zinc/94/78/51/562947851.db2.gz FEMYEHRTPZWLCN-UHFFFAOYSA-N 1 0 449.982 5.100 3 0 IKAFRO O=C(Nc1ccc(-c2ccc(NC(=O)[C@H]3C[NH+]4CCC3CC4)cc2)cc1)c1cccc(F)c1 ZINC000006745747 562948303 /nfs/dbraw/zinc/94/83/03/562948303.db2.gz QYIZSBHVENFHLS-VWLOTQADSA-N 1 0 443.522 5.025 1 0 IKAFRO CCCCNc1nc(C)nc2c1nc(-c1ccccc1)n2[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000008017492 562948848 /nfs/dbraw/zinc/94/88/48/562948848.db2.gz QPQYNQCQOPMGRJ-HSZRJFAPSA-N 1 0 440.595 5.461 1 0 IKAFRO c1ccc([C@@H]2[C@H]3C[N@@H+](CC4CCCCC4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cc1 ZINC000008585166 562950040 /nfs/dbraw/zinc/95/00/40/562950040.db2.gz ARTFQYBWFCKHSN-ZCGWPHLNSA-N 1 0 447.666 7.755 3 0 IKAFRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2c(s1)c1cc(C)ccc1nc2Cl ZINC000008599652 562954815 /nfs/dbraw/zinc/95/48/15/562954815.db2.gz PBUWPLYVSGCGAR-MRXNPFEDSA-N 1 0 430.017 5.796 1 0 IKAFRO C[N@@H+]1C[C@@H]2[C@@H](c3ccc(C(F)(F)F)cc3)C3(c4ccccc4)CC2(C3)[C@H]1c1ccccc1 ZINC000008679913 562961426 /nfs/dbraw/zinc/96/14/26/562961426.db2.gz PPZQMHXDQXPIHV-CAOORNBYSA-N 1 0 433.517 6.824 3 0 IKAFRO Cc1csc([C@H](C)NC(=O)c2ccc(OC3CC[NH+](CCc4ccccc4)CC3)cc2)n1 ZINC000012225578 562980976 /nfs/dbraw/zinc/98/09/76/562980976.db2.gz UUCJFRHMTOBCTF-FQEVSTJZSA-N 1 0 449.620 5.028 3 0 IKAFRO O=c1c(-c2ccc(OC(F)(F)F)cc2)cccn1[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000013436610 562985943 /nfs/dbraw/zinc/98/59/43/562985943.db2.gz AIGBFJAZWRJQLT-QFIPXVFZSA-N 1 0 428.454 5.099 1 0 IKAFRO c1ccc([C@@H]2C[C@H]3[C@H](C[NH+]4CCC(c5ccccc5)CC4)[C@@H](c4ccccc4)CN3O2)cc1 ZINC000013439113 562986166 /nfs/dbraw/zinc/98/61/66/562986166.db2.gz XCTHXSXPXQNXKY-XAZDILKDSA-N 1 0 438.615 6.027 1 0 IKAFRO Oc1ccc2c3c(ccc2c1)-c1ccccc1[C@H]3c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000013451383 562987399 /nfs/dbraw/zinc/98/73/99/562987399.db2.gz QQZQFFQHCZSFNV-GDLZYMKVSA-N 1 0 435.567 6.571 1 0 IKAFRO CCC[NH+](CCC)CCCOc1ccc(S(=O)(=O)c2c(CC)cn3ccccc23)cc1 ZINC000013451443 562987407 /nfs/dbraw/zinc/98/74/07/562987407.db2.gz UTIUVXZUDOEYSN-UHFFFAOYSA-N 1 0 442.625 5.225 1 0 IKAFRO O=c1cc(-c2ccccc2)oc2cccc(OCCCCCCC[NH+]3CCC(O)CC3)c12 ZINC000013454272 562987602 /nfs/dbraw/zinc/98/76/02/562987602.db2.gz AMINWDBXDFTOJB-UHFFFAOYSA-N 1 0 435.564 5.246 1 0 IKAFRO COC(=O)[C@@H]1C[N@H+](CCC(c2ccccc2)c2ccccc2)CC[C@@H]1c1ccc(Cl)cc1 ZINC000013475014 562988772 /nfs/dbraw/zinc/98/87/72/562988772.db2.gz JTLQFFOFUPIHPT-KAYWLYCHSA-N 1 0 448.006 6.141 1 0 IKAFRO O=C(Nc1ccccc1)Nc1ccccc1[C@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000013475776 562988953 /nfs/dbraw/zinc/98/89/53/562988953.db2.gz MDINXBRCQYXZRD-AREMUKBSSA-N 1 0 429.564 5.319 1 0 IKAFRO O=C(Nc1ccccc1C[NH+]1CCC(Cc2ccccc2)CC1)Nc1cc(F)ccc1F ZINC000013475742 562988955 /nfs/dbraw/zinc/98/89/55/562988955.db2.gz BGGVTZNDSREPFI-UHFFFAOYSA-N 1 0 435.518 6.064 1 0 IKAFRO O=C(NCCc1ccc(F)cc1)Nc1ccccc1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000013475787 562988969 /nfs/dbraw/zinc/98/89/69/562988969.db2.gz HRTGCUFRXTWMCL-UHFFFAOYSA-N 1 0 445.582 5.645 1 0 IKAFRO O=C(Nc1ccccc1)Nc1cccc(CO)c1C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000013475859 562989004 /nfs/dbraw/zinc/98/90/04/562989004.db2.gz ONPWEDRTDHCKDY-UHFFFAOYSA-N 1 0 447.554 5.417 1 0 IKAFRO Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)Nc2ccc(C[NH3+])cc2)c1 ZINC000013487476 562989353 /nfs/dbraw/zinc/98/93/53/562989353.db2.gz SMBZSTGDWUXHFN-UHFFFAOYSA-N 1 0 449.963 5.826 1 0 IKAFRO O=c1c(Nc2ccc(C(F)(F)F)cc2)cccn1[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000013488455 562989728 /nfs/dbraw/zinc/98/97/28/562989728.db2.gz YDERVMVDVJLMFH-QFIPXVFZSA-N 1 0 427.470 5.296 1 0 IKAFRO Cc1c2cc(F)ccc2sc1C1CC[NH+](C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000013490094 562990195 /nfs/dbraw/zinc/99/01/95/562990195.db2.gz IIIYSHZFBXJZLJ-IBGZPJMESA-N 1 0 438.568 5.449 1 0 IKAFRO CCOc1cc2nc(C[NH3+])nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC ZINC000013490828 562990266 /nfs/dbraw/zinc/99/02/66/562990266.db2.gz KZIIYQLZCQFDPE-UHFFFAOYSA-N 1 0 435.553 5.061 1 0 IKAFRO Fc1ccc(C(OCCC2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000013491393 562990420 /nfs/dbraw/zinc/99/04/20/562990420.db2.gz XCEOQSGAJFHDBK-QPJJXVBHSA-N 1 0 447.569 6.886 1 0 IKAFRO C[C@@]1(c2ccc(OCC[NH+]3CCCC3)cc2)c2ccc(O)cc2CCN1c1ccccc1 ZINC000013523268 562991448 /nfs/dbraw/zinc/99/14/48/562991448.db2.gz KGQWKZWULKLXAQ-MUUNZHRXSA-N 1 0 428.576 5.193 1 0 IKAFRO C[C@@]1(c2ccc(OCC[NH+]3CCCC3)cc2)c2ccc(O)cc2CCN1c1cccc(F)c1 ZINC000013523367 562991469 /nfs/dbraw/zinc/99/14/69/562991469.db2.gz HNSLZGRIZCCKHZ-MUUNZHRXSA-N 1 0 446.566 5.332 1 0 IKAFRO C[N@H+](CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)cc1)C1CC1 ZINC000013524783 562991546 /nfs/dbraw/zinc/99/15/46/562991546.db2.gz KWJVSKUVDKZNDX-UHFFFAOYSA-N 1 0 430.386 5.714 1 0 IKAFRO CC(C)[NH+](C[C@H](O)COc1ccccc1C(=O)CCc1cccc2ccccc21)C(C)C ZINC000013529155 562991967 /nfs/dbraw/zinc/99/19/67/562991967.db2.gz UXLNGOOPOYAJCH-DEOSSOPVSA-N 1 0 433.592 5.514 1 0 IKAFRO COc1cc2c(cc1OC)C[N@H+](CC[C@H](Oc1ccc(Cl)cc1)c1ccccc1)CC2 ZINC000013530649 562992007 /nfs/dbraw/zinc/99/20/07/562992007.db2.gz MKSJGKFVKSOTMY-DEOSSOPVSA-N 1 0 437.967 5.926 1 0 IKAFRO Cc1ccc2cc([C@@H]3CC[N@H+](C[C@H](O)COc4cccc5[nH]ccc54)[C@@H](C)C3)sc2c1 ZINC000013535680 562992410 /nfs/dbraw/zinc/99/24/10/562992410.db2.gz OCNYAGTUKGAQCN-TYPHKJRUSA-N 1 0 434.605 5.699 1 0 IKAFRO C[C@@H](C(=O)N(CCC[NH+](C)C)c1ccccc1SCc1ccccc1)c1ccccc1 ZINC000013537634 562992549 /nfs/dbraw/zinc/99/25/49/562992549.db2.gz LRBXQMBOKUQMSL-JOCHJYFZSA-N 1 0 432.633 6.067 1 0 IKAFRO O=C(CCCCC[NH+]1CCN(c2ccccc2Cl)CC1)N[C@H]1CCCc2ccccc21 ZINC000013586572 562995492 /nfs/dbraw/zinc/99/54/92/562995492.db2.gz OVYNZBZCWFALNG-DEOSSOPVSA-N 1 0 440.031 5.216 1 0 IKAFRO CCC[N@@H+](Cc1sc(Nc2c(CC)cccc2CC)nc1C(F)(F)F)CC1CC1 ZINC000013587349 562995659 /nfs/dbraw/zinc/99/56/59/562995659.db2.gz WIOZEXBDJKNFCC-UHFFFAOYSA-N 1 0 425.564 6.652 1 0 IKAFRO Oc1ccc2c(c1)CC[C@@]21C=C(c2ccc(OCC[NH+]3CCCC3)cc2)c2cc(O)ccc21 ZINC000013587738 562995803 /nfs/dbraw/zinc/99/58/03/562995803.db2.gz MEQUFYPFRVKQKF-GDLZYMKVSA-N 1 0 439.555 5.250 1 0 IKAFRO O=C1c2ccc(Oc3ccccc3)cc2CC[C@H]1CC[NH+]1CCC(c2ccccc2)CC1 ZINC000013588381 562996030 /nfs/dbraw/zinc/99/60/30/562996030.db2.gz TZGYJUURLLBJGQ-DEOSSOPVSA-N 1 0 425.572 6.494 1 0 IKAFRO O=C(NCCCCc1ccccc1)c1ccccc1C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000013589136 562996162 /nfs/dbraw/zinc/99/61/62/562996162.db2.gz IZRABDBCSLKIOZ-AREMUKBSSA-N 1 0 428.576 5.312 1 0 IKAFRO C[N@H+](Cc1ccccc1C(=O)NCC/C=C/c1ccccc1)[C@H]1CCc2cc(O)ccc2C1 ZINC000013589138 562996259 /nfs/dbraw/zinc/99/62/59/562996259.db2.gz IRORFLRVJUVJIZ-DICASGCDSA-N 1 0 440.587 5.215 1 0 IKAFRO C[C@@H]1c2cc(O)ccc2CC[N@H+]1Cc1ccccc1C(=O)NCC/C=C/c1ccccc1 ZINC000013589145 562996296 /nfs/dbraw/zinc/99/62/96/562996296.db2.gz RRGITTGLGFGTJZ-FTUXVVSKSA-N 1 0 426.560 5.345 1 0 IKAFRO O=S(=O)(c1cccc2ccccc21)n1ccc2ccc(C3=CC[N@@H+]4CCC[C@@H]4C3)cc21 ZINC000013645868 562998738 /nfs/dbraw/zinc/99/87/38/562998738.db2.gz KXPXHDBGGBQXDQ-HSZRJFAPSA-N 1 0 428.557 5.283 1 0 IKAFRO C[NH+](C)CCOc1ccc([C@@]2(c3ccccc3)[C@@H](c3ccccc3)C2(Cl)Cl)cc1 ZINC000013649374 562998906 /nfs/dbraw/zinc/99/89/06/562998906.db2.gz IDPUGYXWCKNQJB-RPWUZVMVSA-N 1 0 426.387 5.884 1 0 IKAFRO C[N@@H+]1CCCC[C@@H]1Cn1cc(C(=O)c2ccc(CCO)c3ccccc23)c2ccccc21 ZINC000013672816 563000163 /nfs/dbraw/zinc/00/01/63/563000163.db2.gz YSNVWEVEYXZGIZ-OAQYLSRUSA-N 1 0 426.560 5.045 1 0 IKAFRO O[C@H](CC[NH+]1CCC(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000013683663 563001041 /nfs/dbraw/zinc/00/10/41/563001041.db2.gz NTHSSHJRLMCIKI-MUUNZHRXSA-N 1 0 429.604 6.018 1 0 IKAFRO O[C@@H](CC[NH+]1CCC(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000013683667 563001063 /nfs/dbraw/zinc/00/10/63/563001063.db2.gz NTHSSHJRLMCIKI-NDEPHWFRSA-N 1 0 429.604 6.018 1 0 IKAFRO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000013733956 563002127 /nfs/dbraw/zinc/00/21/27/563002127.db2.gz LSXRBLCFKKVJAF-ROUUACIJSA-N 1 0 433.423 5.895 1 0 IKAFRO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)C(c1ccccc1Cl)c1ccccc1Cl ZINC000013733977 563002136 /nfs/dbraw/zinc/00/21/36/563002136.db2.gz DJENNRQWYMVEOW-ROUUACIJSA-N 1 0 433.423 5.895 1 0 IKAFRO CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H]([NH2+]Cc1cccnc1)c1ccccc1 ZINC000013737288 563002524 /nfs/dbraw/zinc/00/25/24/563002524.db2.gz XXQAELFWFGIAAW-RUZDIDTESA-N 1 0 430.596 5.981 1 0 IKAFRO O=C(OCCC[NH+]1CCC(c2ccccc2)CC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000013737409 563002588 /nfs/dbraw/zinc/00/25/88/563002588.db2.gz QZQWJHRBWOHVPB-UHFFFAOYSA-N 1 0 426.000 5.965 1 0 IKAFRO COc1ccc(C(=O)Nc2ccc(-c3ccc(C=O)cc3C)cc2)cc1CCC[NH+](C)C ZINC000013737809 563002626 /nfs/dbraw/zinc/00/26/26/563002626.db2.gz ZTBUTAAOIRETCY-UHFFFAOYSA-N 1 0 430.548 5.230 1 0 IKAFRO CC[N@H+](CCCCC[C@H]1Cc2cc(OC)c(OC)cc2C1=O)Cc1ccccc1OC ZINC000013738613 563002834 /nfs/dbraw/zinc/00/28/34/563002834.db2.gz PNORNHQDZBPDRE-IBGZPJMESA-N 1 0 425.569 5.150 1 0 IKAFRO c1ccc2c(c1)C=C(c1ccc(C[NH+](C3CCCCC3)C3CCCCC3)cc1)N1CCN=C21 ZINC000013740222 563003026 /nfs/dbraw/zinc/00/30/26/563003026.db2.gz HBZLAMVCSTTXNG-UHFFFAOYSA-N 1 0 439.647 6.728 1 0 IKAFRO COc1ccc2c(c1)[C@@H](CCC[NH+]1CCN(c3cccc(C(F)(F)F)c3)CC1)CCC2 ZINC000013740696 563003122 /nfs/dbraw/zinc/00/31/22/563003122.db2.gz XGJBTUNWSSZAJD-LJQANCHMSA-N 1 0 432.530 5.736 1 0 IKAFRO Oc1cc2c(cc1Br)CC[N@H+](C/C=C/c1ccccc1)C[C@H]2c1ccccc1 ZINC000013757560 563004642 /nfs/dbraw/zinc/00/46/42/563004642.db2.gz MGKVCPAAEMUDQN-KXOMFBTKSA-N 1 0 434.377 5.858 1 0 IKAFRO c1c2ccccc2sc1C[NH+]1CCC(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000013760762 563004915 /nfs/dbraw/zinc/00/49/15/563004915.db2.gz OQDOOIHFFJZMKP-UHFFFAOYSA-N 1 0 441.640 7.310 1 0 IKAFRO Fc1ccc([C@@H](OCCC2CC[NH+](CCCc3ccccc3)CC2)c2cccs2)cc1 ZINC000013778632 563006012 /nfs/dbraw/zinc/00/60/12/563006012.db2.gz ZGIZBOLECRDANC-HHHXNRCGSA-N 1 0 437.624 6.728 1 0 IKAFRO COc1ccc2c(c1)CC[C@@H](c1ccccc1)[C@@H]2c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000013780523 563006399 /nfs/dbraw/zinc/00/63/99/563006399.db2.gz NAPIZYZVKMASNP-YTMVLYRLSA-N 1 0 427.588 6.032 1 0 IKAFRO Fc1ccc(N2CC[NH+](CCC[C@H]3CN(Cc4ccccc4)c4ccccc4O3)CC2)cc1 ZINC000013780761 563006551 /nfs/dbraw/zinc/00/65/51/563006551.db2.gz UHIKBLAHVMJFRO-SANMLTNESA-N 1 0 445.582 5.196 1 0 IKAFRO O=C(c1ccc(Cl)c(Cl)c1)N1CCC(C[NH2+]Cc2cccc(-c3ccco3)n2)CC1 ZINC000013782356 563006768 /nfs/dbraw/zinc/00/67/68/563006768.db2.gz KSZMCVDTZBUUIA-UHFFFAOYSA-N 1 0 444.362 5.290 1 0 IKAFRO c1ccc(CCC[NH2+]C[C@H]2CCCN(CCOC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000013803915 563008248 /nfs/dbraw/zinc/00/82/48/563008248.db2.gz FDTFUBJUWHYSGU-HHHXNRCGSA-N 1 0 442.647 5.727 1 0 IKAFRO O=C(c1cccs1)N(c1c(Cl)cccc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000013817799 563009651 /nfs/dbraw/zinc/00/96/51/563009651.db2.gz UWAWUASXFCAUES-UHFFFAOYSA-N 1 0 445.415 6.366 1 0 IKAFRO COc1ccc(C(=O)c2c(C)n(CCCCCC[NH+]3CCOCC3)c3ccccc32)cc1 ZINC000013820978 563010019 /nfs/dbraw/zinc/01/00/19/563010019.db2.gz MVRWCVWBFVDYST-UHFFFAOYSA-N 1 0 434.580 5.082 1 0 IKAFRO CNc1nc(-c2ccc(CC[NH+]3CCN(c4cccc5ccccc54)CC3)cc2)cs1 ZINC000013822238 563010126 /nfs/dbraw/zinc/01/01/26/563010126.db2.gz NMRBIVALVIFCPC-UHFFFAOYSA-N 1 0 428.605 5.370 1 0 IKAFRO C[C@@H]1CCC[C@H](C)[N@H+]1CCCCCN1c2ccccc2O[C@@H](c2ccc(Cl)cc2)C1=O ZINC000013834487 563011967 /nfs/dbraw/zinc/01/19/67/563011967.db2.gz LKWOZWCLKKPBJR-DFIYOIEZSA-N 1 0 441.015 6.240 1 0 IKAFRO C[C@@H]1CCC[C@H](C)[N@H+]1CCCCCN1c2ccccc2O[C@@H](c2ccccc2Cl)C1=O ZINC000013834489 563011988 /nfs/dbraw/zinc/01/19/88/563011988.db2.gz LUSCJUZTUPFLPT-DFIYOIEZSA-N 1 0 441.015 6.240 1 0 IKAFRO CC[NH+](CC)CCOc1ccc(Nc2ncc3ccc(=O)n(C4CCCCCC4)c3n2)cc1 ZINC000013835445 563012139 /nfs/dbraw/zinc/01/21/39/563012139.db2.gz DIFKCOBOSFUEIW-UHFFFAOYSA-N 1 0 449.599 5.151 1 0 IKAFRO COc1ccc(O[C@@H](CC[NH+]2CCN(c3ccc(Cl)cc3)CC2)c2ccccc2)cc1 ZINC000013861708 563012772 /nfs/dbraw/zinc/01/27/72/563012772.db2.gz VYONZOVNZCVKFR-SANMLTNESA-N 1 0 436.983 5.681 1 0 IKAFRO CCCNC(=O)c1c(C[N@H+](CC)Cc2ccccc2)nc2ccccc2c1-c1ccccc1 ZINC000013862487 563013016 /nfs/dbraw/zinc/01/30/16/563013016.db2.gz HLRCLDAIHXKQGX-UHFFFAOYSA-N 1 0 437.587 6.064 1 0 IKAFRO CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)[C@@H]2CC[N@H+](CC3CC3)C[C@H]2C)cc1 ZINC000013862305 563013046 /nfs/dbraw/zinc/01/30/46/563013046.db2.gz KEHOXWIRLSRNHN-JIPXPUAJSA-N 1 0 449.639 5.436 1 0 IKAFRO O=C(NC1CC[NH+](CC2CCCCCCC2)CC1)C1c2ccccc2Oc2ccccc21 ZINC000013862613 563013085 /nfs/dbraw/zinc/01/30/85/563013085.db2.gz OCSQKSSLYYSHOM-UHFFFAOYSA-N 1 0 432.608 5.865 1 0 IKAFRO CC(C)[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1C[NH+](C)C)c1ccccc1 ZINC000013862763 563013207 /nfs/dbraw/zinc/01/32/07/563013207.db2.gz GGXDLXDHGKHOEN-MHZLTWQESA-N 1 0 437.587 6.091 1 0 IKAFRO CC1(C)Cc2ccccc2[C@@H](C[NH+]2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000013890505 563013853 /nfs/dbraw/zinc/01/38/53/563013853.db2.gz JGXZBLFYAWGGPA-JOCHJYFZSA-N 1 0 431.407 5.536 1 0 IKAFRO O=C(C[C@H]1c2ccccc2[NH+]=C(N2CCCCC2)N1c1ccccc1)NCc1ccccc1 ZINC000013976391 563014124 /nfs/dbraw/zinc/01/41/24/563014124.db2.gz IROXHJVGJHVBSD-SANMLTNESA-N 1 0 438.575 5.428 1 0 in-vivo IKAFRO Cc1cccc(C)c1Nc1ncc(-c2cccc(OC[C@@H]3CCC[N@@H+](C)C3)c2)n2cncc12 ZINC000013981062 563014165 /nfs/dbraw/zinc/01/41/65/563014165.db2.gz CMZVYJMYCACHOM-OAQYLSRUSA-N 1 0 441.579 5.477 1 0 IKAFRO COc1cnc([C@H]2CCCc3c4[nH]c5ccccc5c4c(OC)c[n+]32)c2[nH]c3ccccc3c21 ZINC000014655560 563014678 /nfs/dbraw/zinc/01/46/78/563014678.db2.gz PLMZBLUKRYWASH-OAQYLSRUSA-O 1 0 449.534 5.581 1 0 IKAFRO Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(C(F)(F)F)cc4F)c3)cc12 ZINC000014961749 563016181 /nfs/dbraw/zinc/01/61/81/563016181.db2.gz ARZSIDJLTVASAU-SFHVURJKSA-N 1 0 444.432 5.040 1 0 IKAFRO Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc(F)c(C(F)(F)F)c4)c3)cc12 ZINC000014961732 563016206 /nfs/dbraw/zinc/01/62/06/563016206.db2.gz YSODHSZRRBCDHP-KRWDZBQOSA-N 1 0 444.432 5.040 1 0 IKAFRO [NH3+][C@H](COc1cncc(-c2ccc3cnc(Cl)cc3c2)c1)Cc1c[nH]c2ccccc12 ZINC000014962576 563016285 /nfs/dbraw/zinc/01/62/85/563016285.db2.gz RRNVRBJCISDRTQ-NRFANRHFSA-N 1 0 428.923 5.380 1 0 IKAFRO FC(F)(F)c1cc(Nc2[nH]c3ccc(Oc4ccnc5[nH]ccc54)cc3[nH+]2)ccc1Cl ZINC000014965235 563016377 /nfs/dbraw/zinc/01/63/77/563016377.db2.gz PKKYJYFGTICOFP-UHFFFAOYSA-N 1 0 443.816 6.647 1 0 IKAFRO CCc1ccccc1N1CC[NH+](CCCCCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000014975956 563016829 /nfs/dbraw/zinc/01/68/29/563016829.db2.gz VCNZQKOEJRCPML-SANMLTNESA-N 1 0 433.640 5.125 1 0 IKAFRO CC(C)c1ccccc1N1CC[NH+](CCCCCC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000014975974 563016865 /nfs/dbraw/zinc/01/68/65/563016865.db2.gz CPWLTNLRAGBWKJ-HHHXNRCGSA-N 1 0 447.667 5.686 1 0 IKAFRO Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4ccc(Cl)c(Cl)c4)s2)[N@@H+]3C)cc1 ZINC000014978627 563017268 /nfs/dbraw/zinc/01/72/68/563017268.db2.gz FOMAEAAMXSBAJG-LANGDILFSA-N 1 0 443.443 7.159 1 0 IKAFRO CCn1cc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)c(C)n1 ZINC000015069391 563017583 /nfs/dbraw/zinc/01/75/83/563017583.db2.gz FNZIQFHZOIRQGG-UHFFFAOYSA-N 1 0 436.987 5.383 3 0 IKAFRO CC[N@@H+]1CC[C@](O)(c2ccc(Cl)c(Cl)c2)[C@@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000016957788 563021143 /nfs/dbraw/zinc/02/11/43/563021143.db2.gz OJDYOYOACQNEAI-VLIAUNLRSA-N 1 0 447.189 5.713 1 0 IKAFRO CC[NH+](CC)CCCNc1cc2c(cn1)cc(-c1c(Cl)cccc1Cl)c(=O)n2C ZINC000021289520 563025317 /nfs/dbraw/zinc/02/53/17/563025317.db2.gz DHTNVMBSGAPRGN-UHFFFAOYSA-N 1 0 433.383 5.051 1 0 IKAFRO COc1ccc(C(C(F)(F)F)C(F)(F)F)cc1CN[C@H]1CCC[NH2+][C@H]1c1ccccc1 ZINC000022450690 563025648 /nfs/dbraw/zinc/02/56/48/563025648.db2.gz XOHNGGNSGAFTFL-HKUYNNGSSA-N 1 0 446.435 5.486 1 0 IKAFRO O=C(CCN1CC[N@@H+]2CCC[C@@H]2C1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000022462753 563025727 /nfs/dbraw/zinc/02/57/27/563025727.db2.gz HOZLLXONNGPAPJ-QGZVFWFLSA-N 1 0 447.526 5.005 1 0 in-man IKAFRO Fc1ccc(/C=C/CN2CC[NH+](CCO[C@H](c3ccccc3)c3ccc(F)cc3)CC2)cc1 ZINC000022925632 563025935 /nfs/dbraw/zinc/02/59/35/563025935.db2.gz WFJRJRXEODOZJG-ZVCCROTOSA-N 1 0 448.557 5.402 1 0 IKAFRO Fc1ccc(CN(CCN2CC[NH+](CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000022925697 563025956 /nfs/dbraw/zinc/02/59/56/563025956.db2.gz OCAZYHPPOVXLLX-UHFFFAOYSA-N 1 0 449.589 5.222 1 0 IKAFRO Fc1ccc(N(CCCN2CC[NH+](CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000022930222 563026277 /nfs/dbraw/zinc/02/62/77/563026277.db2.gz QRXKIUOQVSOXIG-UHFFFAOYSA-N 1 0 449.589 5.743 1 0 IKAFRO CN1CC[NH+](CCCNc2cc(Cl)ccc2Sc2cc(Cl)ccc2Cl)CC1 ZINC000022938717 563026513 /nfs/dbraw/zinc/02/65/13/563026513.db2.gz INKFLANVNINBDL-UHFFFAOYSA-N 1 0 444.859 5.847 1 0 IKAFRO c1ccc(CCCN2CCCC[C@@H]([NH2+]CCOC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000022938478 563026537 /nfs/dbraw/zinc/02/65/37/563026537.db2.gz RFRAMHBONGDSJV-GDLZYMKVSA-N 1 0 442.647 5.870 1 0 IKAFRO c1ccc(C(OCCN2CC[NH+](Cc3ccc4ncccc4c3)CC2)c2ccccc2)cc1 ZINC000022938655 563026566 /nfs/dbraw/zinc/02/65/66/563026566.db2.gz WKFITCNCHMQXOA-UHFFFAOYSA-N 1 0 437.587 5.159 1 0 IKAFRO COc1cccc([C@@H](c2ccc(C(C)(C)C)cc2)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000022939112 563026738 /nfs/dbraw/zinc/02/67/38/563026738.db2.gz POUSMXNITPRXFI-MUUNZHRXSA-N 1 0 428.620 5.900 1 0 IKAFRO [NH3+][C@H](c1cccc(Cl)c1)[C@@H]1CCN1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000022941587 563026931 /nfs/dbraw/zinc/02/69/31/563026931.db2.gz CMTHWWKNGGNXPC-FCHUYYIVSA-N 1 0 431.794 6.511 1 0 IKAFRO C[NH+]1CCN(CCCOc2ccc(-c3nc4c(ccc5ccccc45)[nH]3)c(Cl)c2)CC1 ZINC000023361013 563027236 /nfs/dbraw/zinc/02/72/36/563027236.db2.gz SKQKGGHCXLOMFJ-UHFFFAOYSA-N 1 0 434.971 5.053 1 0 IKAFRO COc1ccc2c(c1)CCC=C2CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000025988192 563028097 /nfs/dbraw/zinc/02/80/97/563028097.db2.gz RTTLUSMWCVHYGQ-UHFFFAOYSA-N 1 0 430.514 5.646 1 0 IKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2nccc(C)c2c1Oc1ccc(Cl)cc1Cl ZINC000026024383 563028739 /nfs/dbraw/zinc/02/87/39/563028739.db2.gz XKRYLFKHIRRIPM-AWEZNQCLSA-N 1 0 434.367 6.190 1 0 IKAFRO C[C@H]([NH2+]C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)c1cccc2ccccc21 ZINC000026154140 563029032 /nfs/dbraw/zinc/02/90/32/563029032.db2.gz JVELVBSSYRSDHV-URXFXBBRSA-N 1 0 444.600 5.080 1 0 IKAFRO C[N@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCc2c(O)cccc2C1 ZINC000026159494 563029193 /nfs/dbraw/zinc/02/91/93/563029193.db2.gz HFPUZJYAPWLJOL-RUZDIDTESA-N 1 0 428.576 5.059 1 0 IKAFRO CCNC(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccn2)cc1 ZINC000026183976 563029788 /nfs/dbraw/zinc/02/97/88/563029788.db2.gz CKQUTXHPDBLPAE-MKPDMIMOSA-N 1 0 437.587 5.460 1 0 IKAFRO O[C@H](CCC[N@@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccccc1 ZINC000026188779 563029820 /nfs/dbraw/zinc/02/98/20/563029820.db2.gz KNNOMOYAJVUIED-WYMJOSIYSA-N 1 0 434.530 5.788 1 0 IKAFRO CC(=O)NCCCCCCC[N@@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 ZINC000026254385 563030131 /nfs/dbraw/zinc/03/01/31/563030131.db2.gz YPOQGLRHFMTALJ-AZGAKELHSA-N 1 0 441.566 5.361 1 0 IKAFRO Nc1c(Cl)cc(C(=O)CCC2CC[NH+](CCCc3ccccc3)CC2)c2c1OCCO2 ZINC000026257944 563030145 /nfs/dbraw/zinc/03/01/45/563030145.db2.gz NYNJQKUTIPCZAS-UHFFFAOYSA-N 1 0 442.987 5.001 1 0 IKAFRO COc1ccc2c(c1)OC[C@H](c1ccccc1)[C@@H]2c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000026255973 563030187 /nfs/dbraw/zinc/03/01/87/563030187.db2.gz GOCOLXIVFQWUBL-XRKRLSELSA-N 1 0 443.587 5.868 1 0 IKAFRO CC1(C)Oc2cc(O)ccc2C(c2ccc(OCC[NH+]3CCCC3)cc2)=C1c1ccccc1 ZINC000026261437 563030240 /nfs/dbraw/zinc/03/02/40/563030240.db2.gz OOPRWXNVFXSVCC-UHFFFAOYSA-N 1 0 441.571 5.997 1 0 IKAFRO COc1ccc([S@](=O)c2ccc([C@H](C)C3CC[NH+](C4CCCCC4)CC3)cc2)cc1 ZINC000026288387 563030836 /nfs/dbraw/zinc/03/08/36/563030836.db2.gz NDXFHBBFUCQHAL-WRGVRERRSA-N 1 0 425.638 6.010 1 0 IKAFRO Cc1cc(OCCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(C)c(C)c1O ZINC000026471843 563032166 /nfs/dbraw/zinc/03/21/66/563032166.db2.gz NBJCNEVQZGIPSG-UHFFFAOYSA-N 1 0 444.619 5.494 1 0 IKAFRO [NH3+]Cc1cccc(Cn2ccc3c2C(=O)C(Cc2ccccc2)(Cc2ccccc2)CC3)c1 ZINC000026487106 563032440 /nfs/dbraw/zinc/03/24/40/563032440.db2.gz ZLZGYOUXDLTZOE-UHFFFAOYSA-N 1 0 434.583 5.596 1 0 IKAFRO CC[NH+](CC)CCOc1ccc(/C(=C(\c2ccccc2)[N+](=O)[O-])c2ccc(O)cc2)cc1 ZINC000026503927 563032874 /nfs/dbraw/zinc/03/28/74/563032874.db2.gz LGGKBFLJEJWIPS-OCEACIFDSA-N 1 0 432.520 5.306 1 0 IKAFRO CCC(=O)N(c1ccccc1F)C1(c2ccccc2)CC[NH+](CCc2ccsc2)CC1 ZINC000026507041 563032970 /nfs/dbraw/zinc/03/29/70/563032970.db2.gz HEVPVURSPUJVOI-UHFFFAOYSA-N 1 0 436.596 5.864 1 0 IKAFRO CCC(=O)N(c1ccccc1F)C1(c2ccccc2)CC[NH+](CCc2cccs2)CC1 ZINC000026566604 563033088 /nfs/dbraw/zinc/03/30/88/563033088.db2.gz GKSDPGGOSNBYAC-UHFFFAOYSA-N 1 0 436.596 5.864 1 0 IKAFRO CCS(=O)(=O)Nc1ccc(CCC2=[NH+][C@@H](c3ccccc3)c3ccccc3CN2C)cc1 ZINC000026570352 563033330 /nfs/dbraw/zinc/03/33/30/563033330.db2.gz KPQLLHLLODVXPI-SANMLTNESA-N 1 0 447.604 5.014 1 0 IKAFRO CC[NH+](CC)Cc1nn(-c2ccc(F)cc2)c2c1CCC[C@H]2Cc1cccc2ccccc21 ZINC000026572641 563033469 /nfs/dbraw/zinc/03/34/69/563033469.db2.gz MKFBBNGWCLZUCO-QHCPKHFHSA-N 1 0 441.594 6.669 1 0 IKAFRO Clc1ccc(N2CC[NH+](CCCOc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)cc1 ZINC000026575057 563033543 /nfs/dbraw/zinc/03/35/43/563033543.db2.gz BMPOKXVXNLPKTD-UHFFFAOYSA-N 1 0 446.982 5.474 1 0 IKAFRO CCc1cc(OCc2ccc(-c3ccc(Cl)cc3-c3nn[nH]n3)cc2)c2c([nH+]1)CCCC2 ZINC000026577452 563033823 /nfs/dbraw/zinc/03/38/23/563033823.db2.gz MOVBBJNZSSHGBF-UHFFFAOYSA-N 1 0 445.954 5.602 1 0 IKAFRO CCC[NH+](CCC)C[C@@H]1c2ccccc2CCN1C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000026579362 563034097 /nfs/dbraw/zinc/03/40/97/563034097.db2.gz NGVJDORGDXUYNF-HSZRJFAPSA-N 1 0 433.423 5.784 1 0 IKAFRO O=C(Cc1cccc2ccccc21)N1CCC(CCCCCC[NH2+]CC2CCCCC2)CC1 ZINC000026637412 563034285 /nfs/dbraw/zinc/03/42/85/563034285.db2.gz GVLCHMGKDQXKOO-UHFFFAOYSA-N 1 0 448.695 6.741 1 0 IKAFRO CCCCNC(=O)[C@@H](C)C[C@H](O)[C@@H]([NH3+])C[C@H](Cc1ccc(C(C)(C)C)cc1)C(C)(C)C ZINC000026656423 563034916 /nfs/dbraw/zinc/03/49/16/563034916.db2.gz HGAWDGAIKZLXDU-HCUBDLJJSA-N 1 0 432.693 5.210 1 0 IKAFRO Clc1cccc(N2CC[NH+](C[C@H]3C[C@@H]4c5ccccc5Cc5ccccc5[C@H]4O3)CC2)c1 ZINC000026663693 563035100 /nfs/dbraw/zinc/03/51/00/563035100.db2.gz VQILFXAHDTXCBG-RYRVMRHHSA-N 1 0 445.006 5.680 1 0 IKAFRO COc1cccc(C2=C(c3ccccc3)[C@H]2C(=O)N(C)[C@H]2CCCC[C@@H]2[NH+]2CCCC2)c1 ZINC000026739605 563036233 /nfs/dbraw/zinc/03/62/33/563036233.db2.gz OCEPGEBYQDXYNP-NLJOTIRTSA-N 1 0 430.592 5.101 1 0 IKAFRO C[C@@H]1[C@@H](C)c2ccccc2[C@@H](C[NH+]2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000026744678 563036355 /nfs/dbraw/zinc/03/63/55/563036355.db2.gz PLYOATQTXPMHSZ-SEPYTNNBSA-N 1 0 431.407 5.707 1 0 IKAFRO COc1ccc(/C=C2\C[N@H+](C)C[C@@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000026747215 563036415 /nfs/dbraw/zinc/03/64/15/563036415.db2.gz ZGZNFZMNAFLLAL-IGNCZNKDSA-N 1 0 439.559 5.266 1 0 IKAFRO C[C@@H]([NH2+]Cc1ccccc1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C ZINC000026750124 563036536 /nfs/dbraw/zinc/03/65/36/563036536.db2.gz ZMKOJYXTNVODPU-DOHTWNSFSA-N 1 0 437.712 6.821 1 0 IKAFRO C[C@@H]1c2ccccc2[C@@H](C[NH+]2CCCC2)N(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H]1C ZINC000026817589 563036801 /nfs/dbraw/zinc/03/68/01/563036801.db2.gz PLYOATQTXPMHSZ-HKARXFIJSA-N 1 0 431.407 5.707 1 0 IKAFRO CCCc1c(-c2csc(-c3cc(C(N)=[NH2+])sc3SC)n2)cnn1-c1ccccc1 ZINC000026825242 563037078 /nfs/dbraw/zinc/03/70/78/563037078.db2.gz UUHREWALSIMSCY-UHFFFAOYSA-N 1 0 439.635 5.683 1 0 IKAFRO COc1ccc2c(c1)O[C@@H](c1ccc(OCC[NH+]3CCCC3)cc1)[C@H](c1ccccc1)C2=O ZINC000026946159 563038074 /nfs/dbraw/zinc/03/80/74/563038074.db2.gz KQGPDKRGLZIJCH-IAPPQJPRSA-N 1 0 443.543 5.270 1 0 IKAFRO C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)NCc1ccccc1Cl)c1cccc2ccccc21 ZINC000027077142 563038971 /nfs/dbraw/zinc/03/89/71/563038971.db2.gz BXUXAOCUFNDQLK-PXDATVDWSA-N 1 0 429.007 6.545 1 0 IKAFRO C[C@@H]([NH2+]C[C@H](Cc1ccccc1)NCc1ccccc1Cl)c1cccc2ccccc21 ZINC000027077154 563039012 /nfs/dbraw/zinc/03/90/12/563039012.db2.gz BXUXAOCUFNDQLK-BWKNWUBXSA-N 1 0 429.007 6.545 1 0 IKAFRO CC(C)[NH2+]C[C@@H](O)COc1ccc2c(c1)oc(C1CCCCC1)c(-c1ccccc1)c2=O ZINC000027109452 563039993 /nfs/dbraw/zinc/03/99/93/563039993.db2.gz WKAONDRGNVVYCM-OAQYLSRUSA-N 1 0 435.564 5.245 1 0 IKAFRO C[N@@H+]1CC[C@@](O)(c2ccc(Cl)c(Cl)c2)[C@@H]([C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000027179190 563040076 /nfs/dbraw/zinc/04/00/76/563040076.db2.gz RRWQOIKRLCJAFP-ZNZDAUKMSA-N 1 0 435.178 5.173 1 0 IKAFRO COc1ccc(CC[N@@H+]2CCC[C@H]2COC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 ZINC000027184857 563040174 /nfs/dbraw/zinc/04/01/74/563040174.db2.gz OTFAHXKRSOAATL-VWLOTQADSA-N 1 0 437.530 5.787 1 0 IKAFRO Clc1cccc(-n2nc(/C=C/c3c(Cl)cccc3Cl)cc2C2CC[NH2+]CC2)c1 ZINC000027194911 563040518 /nfs/dbraw/zinc/04/05/18/563040518.db2.gz KPHUACXXKHOGTE-BQYQJAHWSA-N 1 0 432.782 6.470 1 0 IKAFRO C[C@H](N1C2=[NH+]C[C@H](C3CCCCC3)N2C[C@@H]1C1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000027298636 563041167 /nfs/dbraw/zinc/04/11/67/563041167.db2.gz QLWHCGAXAKJOIC-AGYDLVFLSA-N 1 0 437.716 6.476 1 0 IKAFRO C[C@@H]1CCC[C@@H](C)[NH+]1CCCCCN1c2ccccc2O[C@H](c2ccccc2Cl)C1=O ZINC000027329729 563041746 /nfs/dbraw/zinc/04/17/46/563041746.db2.gz LUSCJUZTUPFLPT-UMEGOILYSA-N 1 0 441.015 6.240 1 0 IKAFRO Cc1ccc2c(c1)C(=O)N(CCCCC[N@H+]1CC=C(c3c[nH]c4ccccc34)CC1)C2=O ZINC000027331865 563041786 /nfs/dbraw/zinc/04/17/86/563041786.db2.gz MOJPVHLAGWNFCV-UHFFFAOYSA-N 1 0 427.548 5.032 1 0 IKAFRO Cc1cccc2c(C3=CC[N@H+](CCCCCN4C(=O)c5ccccc5C4=O)CC3)c[nH]c21 ZINC000027407826 563041842 /nfs/dbraw/zinc/04/18/42/563041842.db2.gz RUNHZSVFEKDKRE-UHFFFAOYSA-N 1 0 427.548 5.032 1 0 IKAFRO CCc1cccc(N(C)C(=[NH2+])Nc2cc(CC)cc(OC(F)(F)F)c2Br)c1 ZINC000027425374 563042226 /nfs/dbraw/zinc/04/22/26/563042226.db2.gz JXNYGZWEIWUZEZ-UHFFFAOYSA-N 1 0 444.295 5.956 1 0 IKAFRO Cc1cc(C)c2nc(CC/C=C/c3ccc(Cl)cc3)cc([C@H](O)[C@@H]3CCCC[NH2+]3)c2c1 ZINC000027523997 563042979 /nfs/dbraw/zinc/04/29/79/563042979.db2.gz OCMOOUNQZKPECW-YIJNPVGKSA-N 1 0 435.011 6.327 1 0 IKAFRO O[C@@H](c1cc(Oc2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12)[C@H]1CCCC[NH2+]1 ZINC000027524534 563043066 /nfs/dbraw/zinc/04/30/66/563043066.db2.gz KSQJFNKWIYWYST-NQIIRXRSSA-N 1 0 437.754 6.163 1 0 IKAFRO COc1ccc(-c2[nH]c3ccccc3c2CC[NH2+]CCCc2ccc(O)cc2)cc1OC ZINC000027556766 563043825 /nfs/dbraw/zinc/04/38/25/563043825.db2.gz PSNOFYVWAQTGOG-UHFFFAOYSA-N 1 0 430.548 5.323 1 0 IKAFRO CC(C)(C)c1cc(I)c2c(c1)C[NH2+]C1(CC(C)(C)CC(C)(C)C1)O2 ZINC000027656933 563045363 /nfs/dbraw/zinc/04/53/63/563045363.db2.gz AVJXKYISGXVRHY-UHFFFAOYSA-N 1 0 441.397 6.003 1 0 IKAFRO O=c1[nH]c2ccccc2n1C1CC[NH+](CCCN(c2ccccc2)c2ccccc2)CC1 ZINC000027657786 563045465 /nfs/dbraw/zinc/04/54/65/563045465.db2.gz CQQPBRZBMFSECX-UHFFFAOYSA-N 1 0 426.564 5.195 1 0 IKAFRO CCCC[C@@H]1CCc2cc(O)cc3c(CC[NH+]4CCN(c5cc(C)ccn5)CC4)c(C)n1c32 ZINC000027734859 563046350 /nfs/dbraw/zinc/04/63/50/563046350.db2.gz GLTHSRFPHHLMIW-HSZRJFAPSA-N 1 0 446.639 5.401 1 0 IKAFRO Cn1c2ccccc2c2c1CC[C@H](C[N@H+]1CC=C(c3c[nH]c4ccc(F)cc34)CC1)C2=O ZINC000027738305 563046449 /nfs/dbraw/zinc/04/64/49/563046449.db2.gz MREHFQAOUHEUFA-GOSISDBHSA-N 1 0 427.523 5.333 1 0 IKAFRO O=C(c1ccoc1)N(c1nc2ccccc2s1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000027741757 563046565 /nfs/dbraw/zinc/04/65/65/563046565.db2.gz GPBQMMHNXJPEFU-UHFFFAOYSA-N 1 0 431.561 5.243 1 0 IKAFRO Clc1cc2nc(C3CC[NH2+]CC3)n(Cc3ccc(Br)cc3)c2cc1Cl ZINC000027750942 563046821 /nfs/dbraw/zinc/04/68/21/563046821.db2.gz SOFKFSOURYAAOR-UHFFFAOYSA-N 1 0 439.184 5.621 1 0 IKAFRO CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1c2ccccc2CCC[C@@H]1[NH+]1CCCC1 ZINC000027843907 563047220 /nfs/dbraw/zinc/04/72/20/563047220.db2.gz ZVSKHDRPWNFEAX-UPVQGACJSA-N 1 0 431.407 5.536 1 0 IKAFRO CCc1nn(CC[NH+](C)C)c(CC)c1CCCCCCOc1ccc(OC)cc1Cl ZINC000027853614 563047390 /nfs/dbraw/zinc/04/73/90/563047390.db2.gz MHYMRRLIJJOMKS-UHFFFAOYSA-N 1 0 436.040 5.413 1 0 IKAFRO CSc1sc(C(N)=[NH2+])cc1-c1csc(NC(c2ccccc2)c2ccccc2)n1 ZINC000028003800 563049330 /nfs/dbraw/zinc/04/93/30/563049330.db2.gz ABEISAYFSWNEFB-UHFFFAOYSA-N 1 0 436.631 6.079 1 0 IKAFRO CCC(=O)N1c2ccccc2S[C@H]1c1ccccc1OCCC[N@H+](C)C1CCCCC1 ZINC000028006415 563049490 /nfs/dbraw/zinc/04/94/90/563049490.db2.gz BRBURWHFGAZKCR-SANMLTNESA-N 1 0 438.637 6.268 1 0 IKAFRO CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000028111797 563050850 /nfs/dbraw/zinc/05/08/50/563050850.db2.gz TUWGKLBUZJCNKG-AHKZPQOWSA-N 1 0 447.623 5.524 1 0 IKAFRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)C3CCC(c4ccc(Cl)cc4)CC3)cc2)C1 ZINC000028120992 563051106 /nfs/dbraw/zinc/05/11/06/563051106.db2.gz XNTXJPSLNHPCDJ-IWRZYZMASA-N 1 0 426.004 5.393 1 0 IKAFRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)C3CCC(c4ccc(Cl)cc4)CC3)cc2)C1 ZINC000028120986 563051121 /nfs/dbraw/zinc/05/11/21/563051121.db2.gz XNTXJPSLNHPCDJ-SCPLRKQGSA-N 1 0 426.004 5.393 1 0 IKAFRO CC[NH+](CC)Cc1ccc(NC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)cc1 ZINC000028128201 563051272 /nfs/dbraw/zinc/05/12/72/563051272.db2.gz OWNZVQSNZDGAED-UHFFFAOYSA-N 1 0 432.351 6.051 1 0 IKAFRO FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1C[NH2+]CC1CC1 ZINC000028129813 563051285 /nfs/dbraw/zinc/05/12/85/563051285.db2.gz XMQSNNPHJNAYEO-UHFFFAOYSA-N 1 0 430.710 6.365 1 0 IKAFRO C[C@H](C(=O)N(C)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000028131647 563051348 /nfs/dbraw/zinc/05/13/48/563051348.db2.gz BQBLVXRALWABEM-DEOSSOPVSA-N 1 0 440.631 5.935 1 0 IKAFRO Cc1ccccc1CC(=O)N1CCC([NH+]2CCC(Cc3cccc(Cl)c3)CC2)CC1 ZINC000028130581 563051350 /nfs/dbraw/zinc/05/13/50/563051350.db2.gz QENRRRMNQOTYRO-UHFFFAOYSA-N 1 0 425.016 5.137 1 0 IKAFRO CN(C(=O)Nc1ccc(F)cc1)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028131634 563051353 /nfs/dbraw/zinc/05/13/53/563051353.db2.gz PFSRLONRBMUWJU-UHFFFAOYSA-N 1 0 445.582 5.976 1 0 IKAFRO Nc1cccc(C(=O)N2CCC([NH+]3CCC(Cc4ccc(Cl)c(Cl)c4)CC3)CC2)c1 ZINC000028135162 563051548 /nfs/dbraw/zinc/05/15/48/563051548.db2.gz VTSQOKIAZAEEBJ-UHFFFAOYSA-N 1 0 446.422 5.135 1 0 IKAFRO Cc1ccc(CNc2nc(NCc3ccc(C)cc3)[nH+]c(NCc3ccc(C)cc3)n2)cc1 ZINC000028334169 563052669 /nfs/dbraw/zinc/05/26/69/563052669.db2.gz JHEQYAXYXVNNIE-UHFFFAOYSA-N 1 0 438.579 5.633 1 0 IKAFRO CN(C(=O)Cc1cccc(F)c1)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028347222 563053120 /nfs/dbraw/zinc/05/31/20/563053120.db2.gz GCABBJYAUDBBBZ-UHFFFAOYSA-N 1 0 444.594 5.513 1 0 IKAFRO CN(C(=O)C(=O)c1ccccc1)C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1 ZINC000028356893 563053361 /nfs/dbraw/zinc/05/33/61/563053361.db2.gz AOOVCNDFEQLFRU-UHFFFAOYSA-N 1 0 440.587 5.014 1 0 IKAFRO CCNC(=O)c1ccc(C(c2ccc(F)cc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccoc2)cc1 ZINC000028371013 563053844 /nfs/dbraw/zinc/05/38/44/563053844.db2.gz VLGAHHOYYSVFIL-WMPKNSHKSA-N 1 0 444.550 5.797 1 0 IKAFRO CCNC(=O)c1ccc(C(c2ccncc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccoc2)cc1 ZINC000028385436 563054155 /nfs/dbraw/zinc/05/41/55/563054155.db2.gz XUHDCTYFAXOGQE-PLQXJYEYSA-N 1 0 427.548 5.053 1 0 IKAFRO CCNC(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccnc2)cc1 ZINC000028387303 563054274 /nfs/dbraw/zinc/05/42/74/563054274.db2.gz HOFGKVVWOOSYFP-MKPDMIMOSA-N 1 0 437.587 5.460 1 0 IKAFRO c1ccc(C2=C(c3ccc(OCC[NH+]4CCCCC4)cc3)c3ccccc3OCC2)cc1 ZINC000028461290 563055118 /nfs/dbraw/zinc/05/51/18/563055118.db2.gz IUDRKOYRISQLJQ-UHFFFAOYSA-N 1 0 425.572 6.293 1 0 IKAFRO CCCC[C@@H]1c2c3ccccc3[nH]c2[C@H]2Oc3c4c(ccc3OC)C[C@@H]3[C@H]1[C@@]42CC[N@@H+]3C ZINC000028520517 563055904 /nfs/dbraw/zinc/05/59/04/563055904.db2.gz RJLOZLWGWXBUEL-WWFQYMSISA-N 1 0 428.576 5.712 1 0 IKAFRO O=C(Nc1ccc(Oc2ccccc2)cc1)O[C@@H]1C2CC[NH+](CC2)[C@@H]1Cc1cccnc1 ZINC000028523577 563056284 /nfs/dbraw/zinc/05/62/84/563056284.db2.gz WQAMKZUPBNDBAR-JWQCQUIFSA-N 1 0 429.520 5.128 1 0 IKAFRO Cc1c2cc(Cl)ccc2sc1S(=O)(=O)n1cc([C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000028523920 563056370 /nfs/dbraw/zinc/05/63/70/563056370.db2.gz JDPOPUCQVIJNNU-OAHLLOKOSA-N 1 0 445.009 5.522 1 0 IKAFRO [NH3+][C@H](CNc1cc(-c2ccncc2)c(-c2cccc3ccccc32)nn1)Cc1ccccc1 ZINC000028524443 563056460 /nfs/dbraw/zinc/05/64/60/563056460.db2.gz GRGBIILCNWAXOF-QHCPKHFHSA-N 1 0 431.543 5.341 1 0 IKAFRO Cc1ccc(C(=O)Nc2ccccc2NC(=O)OCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000028526626 563056977 /nfs/dbraw/zinc/05/69/77/563056977.db2.gz KVHAFEVSHXVQRT-UHFFFAOYSA-N 1 0 444.535 5.107 1 0 IKAFRO CC[NH+](CC)CCC[C@H](C)Nc1nc(-c2ccc(O)cc2)cc(-c2ccc(OC)cc2)n1 ZINC000028530662 563057549 /nfs/dbraw/zinc/05/75/49/563057549.db2.gz KBZVHGLVTYLEEG-IBGZPJMESA-N 1 0 434.584 5.447 1 0 IKAFRO O=C1Nc2ccccc2[C@H](c2ccccc2)N1C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000028567992 563058316 /nfs/dbraw/zinc/05/83/16/563058316.db2.gz CQBYCTWLUKYTPN-VWLOTQADSA-N 1 0 431.967 5.942 1 0 IKAFRO O=C1Nc2ccccc2[C@@H](c2ccccc2)N1C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000028568158 563058409 /nfs/dbraw/zinc/05/84/09/563058409.db2.gz FOPUJSJQHJHZKH-RUZDIDTESA-N 1 0 431.967 5.942 1 0 IKAFRO O=C(NCCC[NH+]1CCC2(CCc3ccccc32)CC1)c1cccc2c1Cc1ccccc1-2 ZINC000028568974 563058616 /nfs/dbraw/zinc/05/86/16/563058616.db2.gz PTXDZYGFDSHONJ-UHFFFAOYSA-N 1 0 436.599 5.358 1 0 IKAFRO CC(C)(C)[C@H]([NH2+]C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1)c1ccccc1 ZINC000028637021 563059829 /nfs/dbraw/zinc/05/98/29/563059829.db2.gz NXLSPYIPMYWKMG-UFHPHHKVSA-N 1 0 445.603 5.619 1 0 IKAFRO CC(C)[C@H]([NH2+]C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1)c1ccccc1 ZINC000028636820 563059861 /nfs/dbraw/zinc/05/98/61/563059861.db2.gz IMSAUJVBNBXQTC-YWEHKCAJSA-N 1 0 431.576 5.229 1 0 IKAFRO Cc1cccc(C)c1Nc1ncc(-c2cccc(OCC[NH+]3CCCC3)c2)n2cncc12 ZINC000028639382 563059967 /nfs/dbraw/zinc/05/99/67/563059967.db2.gz OMBAXNRFGPUFNZ-UHFFFAOYSA-N 1 0 427.552 5.231 1 0 IKAFRO C[NH+](C)CC[C@@H](NC(=O)/C=C/c1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1 ZINC000028654066 563061316 /nfs/dbraw/zinc/06/13/16/563061316.db2.gz ZNHDEMOCOCFLIC-VTJDKEBTSA-N 1 0 426.482 5.681 1 0 IKAFRO Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CC[N@H+](C)CC3)ccc1-c1ccc(Cl)cc1 ZINC000028704211 563061765 /nfs/dbraw/zinc/06/17/65/563061765.db2.gz UAJYHPWCBGWDNL-UHFFFAOYSA-N 1 0 440.996 5.147 1 0 IKAFRO CC[N@@H+]1CCC[C@@H](Cn2c(=O)c3cc(OC(F)(F)F)ccc3nc2-c2ccccc2C)C1 ZINC000028711887 563062755 /nfs/dbraw/zinc/06/27/55/563062755.db2.gz TYPWWUNYYCVRRR-QGZVFWFLSA-N 1 0 445.485 5.002 1 0 IKAFRO CC(C)[NH+](CC[C@@]1(c2ccccc2)C(=O)N=C(c2ccccc2)N2CCCC[C@H]21)C(C)C ZINC000028755233 563063318 /nfs/dbraw/zinc/06/33/18/563063318.db2.gz XCXQFLGDQYOVKM-LSYYVWMOSA-N 1 0 431.624 5.275 1 0 IKAFRO CC(C)[NH+](CC[C@@]1(c2ccc(-c3ccccc3)cc2)C(=O)N=CN2CCCC[C@@H]21)C(C)C ZINC000028755839 563063394 /nfs/dbraw/zinc/06/33/94/563063394.db2.gz QPPJEWFQDRVZEN-IAPPQJPRSA-N 1 0 431.624 5.523 1 0 IKAFRO CCc1nc2cc(OC3CCN(C(C)=[NH2+])CC3)ccc2n1C/C(C)=C/c1cccc(N)c1 ZINC000028758742 563063518 /nfs/dbraw/zinc/06/35/18/563063518.db2.gz LGUMIBZFRCAMKL-HLFXFWDMSA-N 1 0 431.584 5.125 1 0 IKAFRO CCCOc1ccc(C(=O)OCCCC[N@H+](CC)[C@@H]2CCc3cc(OC)ccc3C2)cc1 ZINC000028765303 563063965 /nfs/dbraw/zinc/06/39/65/563063965.db2.gz JZHNSDQUTQLMET-XMMPIXPASA-N 1 0 439.596 5.300 1 0 IKAFRO CCN1C(=O)N(C2CC[NH+](CCC(c3ccccc3)c3ccccc3)CC2)[C@@H]2CCCC[C@H]21 ZINC000028764610 563063997 /nfs/dbraw/zinc/06/39/97/563063997.db2.gz XRNNZNKETMVDKO-VSGBNLITSA-N 1 0 445.651 5.742 1 0 IKAFRO CC[N@H+](CCCCCCOC(=O)c1ccc(OC)c(OC)c1)[C@H]1CCc2ccccc2C1 ZINC000028766514 563064094 /nfs/dbraw/zinc/06/40/94/563064094.db2.gz PMVOPWZKALHBOU-DEOSSOPVSA-N 1 0 439.596 5.300 1 0 IKAFRO [NH3+]Cc1ccccc1C1(O)CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000028817224 563064570 /nfs/dbraw/zinc/06/45/70/563064570.db2.gz ASFBQTPLOUDQLA-UHFFFAOYSA-N 1 0 441.402 5.525 1 0 IKAFRO COc1ccc(N2Cc3cc(Cl)cc(Cl)c3C2=O)cc1OCC[N@@H+]1CCC[C@@H](C)C1 ZINC000028819834 563065227 /nfs/dbraw/zinc/06/52/27/563065227.db2.gz PDPHGOYIBMEXMB-OAHLLOKOSA-N 1 0 449.378 5.273 1 0 IKAFRO C[N@H+](CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21)Cc1ccccc1 ZINC000028821647 563065462 /nfs/dbraw/zinc/06/54/62/563065462.db2.gz ZBAFNVLNTIJCGR-UHFFFAOYSA-N 1 0 428.523 6.830 1 0 IKAFRO CC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C[NH+]4CCC4)ccn32)n1 ZINC000028822170 563065636 /nfs/dbraw/zinc/06/56/36/563065636.db2.gz IMOMJOBUVKJFMX-UHFFFAOYSA-N 1 0 444.558 5.261 1 0 IKAFRO CC(C)(C)C(=O)O[C@@H]1CC2([NH+]3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000028863149 563067007 /nfs/dbraw/zinc/06/70/07/563067007.db2.gz DEQSUUWAJZVENM-JPHSWZJASA-N 1 0 431.620 6.160 1 0 IKAFRO Oc1ccc(-c2ccc(-c3cc(Nc4ccc(C[NH+]5CCCC5)cc4)n[nH]3)cc2)c(O)c1 ZINC000028868337 563067270 /nfs/dbraw/zinc/06/72/70/563067270.db2.gz FWKYXJNFMVWNMH-UHFFFAOYSA-N 1 0 426.520 5.494 1 0 IKAFRO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c2cc(-c3ccccc3F)oc21 ZINC000028877971 563067689 /nfs/dbraw/zinc/06/76/89/563067689.db2.gz NTHIAFXFYRUEJP-UHFFFAOYSA-N 1 0 447.506 5.823 1 0 IKAFRO CC(C)Nc1ncnc2oc(-c3ccc(OCC[NH+]4CCCC4)cc3)c(-c3ccccc3)c21 ZINC000028879391 563067799 /nfs/dbraw/zinc/06/77/99/563067799.db2.gz SSVDSZIWJBBCNN-UHFFFAOYSA-N 1 0 442.563 5.852 1 0 IKAFRO COc1ccc2nccc([C@@H]3CN(C4CC[NH+](Cc5ccc(C)c(C)c5)CC4)C(=O)O3)c2c1 ZINC000028893717 563068620 /nfs/dbraw/zinc/06/86/20/563068620.db2.gz DBMAUWVASVSMOE-SANMLTNESA-N 1 0 445.563 5.018 1 0 IKAFRO COc1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)ccc1OCC[NH+]1CCCC1 ZINC000028899151 563068922 /nfs/dbraw/zinc/06/89/22/563068922.db2.gz DCEYALJDOVAYRX-UHFFFAOYSA-N 1 0 432.520 5.214 1 0 IKAFRO COc1cc(NC(=O)Nc2ccc(-c3ccccc3)cc2)ccc1OCC[NH+]1CCCC1 ZINC000028899156 563068932 /nfs/dbraw/zinc/06/89/32/563068932.db2.gz XLYASTCRGPGRAP-UHFFFAOYSA-N 1 0 431.536 5.481 1 0 IKAFRO CC[N@@H+](Cc1c(C)nc2n1c1cccnc1n2-c1c(C)cc(C)cc1Cl)CC1CCC1 ZINC000028903750 563069232 /nfs/dbraw/zinc/06/92/32/563069232.db2.gz YAUNEGRGWKDMDO-UHFFFAOYSA-N 1 0 436.003 5.874 1 0 IKAFRO CC(C)CCn1c2ccc(C(C)(C)[NH3+])cc2nc1Cn1c2ccccc2n(C(C)C)c1=O ZINC000028952220 563069751 /nfs/dbraw/zinc/06/97/51/563069751.db2.gz MINLKQNXKDDPOQ-UHFFFAOYSA-N 1 0 433.600 5.022 1 0 IKAFRO CC[NH+](CC)CCOc1ccc2ccccc2c1[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000028955509 563070197 /nfs/dbraw/zinc/07/01/97/563070197.db2.gz UOSZFWBJEZLLIS-NDEPHWFRSA-N 1 0 444.018 7.394 1 0 IKAFRO CCCN(CC[NH+]1CCCC1)c1c(C)nc(-c2c(C)cc(C)cc2OC)c2ccccc21 ZINC000029037824 563071591 /nfs/dbraw/zinc/07/15/91/563071591.db2.gz XXVYAUWWKIAOEW-UHFFFAOYSA-N 1 0 431.624 6.148 1 0 IKAFRO CC[C@@]1(CCCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2ccc(F)cc21 ZINC000029052525 563073039 /nfs/dbraw/zinc/07/30/39/563073039.db2.gz ISWLMFBTCIVZDN-DEOSSOPVSA-N 1 0 429.967 5.072 1 0 IKAFRO CC[C@]1(CCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2cc(F)ccc21 ZINC000029052761 563073145 /nfs/dbraw/zinc/07/31/45/563073145.db2.gz ZZHRSCMSVPSESL-XMMPIXPASA-N 1 0 429.967 5.072 1 0 IKAFRO CC[C@]1(CCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c2cc(Cl)ccc2NC1=O ZINC000029052746 563073194 /nfs/dbraw/zinc/07/31/94/563073194.db2.gz YFDRVPRNWMMHLM-DEOSSOPVSA-N 1 0 446.422 5.586 1 0 IKAFRO CC[C@@]1(CCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2cc(F)ccc21 ZINC000029052756 563073200 /nfs/dbraw/zinc/07/32/00/563073200.db2.gz ZZHRSCMSVPSESL-DEOSSOPVSA-N 1 0 429.967 5.072 1 0 IKAFRO CC[C@@]1(CCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2ccc(F)cc21 ZINC000029052765 563073205 /nfs/dbraw/zinc/07/32/05/563073205.db2.gz OGUHCHBFMUYJMX-DEOSSOPVSA-N 1 0 429.967 5.072 1 0 IKAFRO CC[C@@]1(CCCC[NH+]2CCN(c3ccc(F)c(Cl)c3)CC2)C(=O)Nc2ccccc21 ZINC000029054964 563073423 /nfs/dbraw/zinc/07/34/23/563073423.db2.gz MKAIBBXLYYMCBV-DEOSSOPVSA-N 1 0 429.967 5.072 1 0 IKAFRO O=C(NC1CC[NH+](Cc2ccc3cc(F)ccc3c2)CC1)c1cccc(-c2ccccc2)c1 ZINC000029123742 563074016 /nfs/dbraw/zinc/07/40/16/563074016.db2.gz MLRBFEYTYKCZGY-UHFFFAOYSA-N 1 0 438.546 6.040 1 0 IKAFRO COc1ccc([C@H](c2cccs2)c2ccc(OC[C@H](O)C[NH+]3CCCCC3)cc2)cc1 ZINC000029131580 563075681 /nfs/dbraw/zinc/07/56/81/563075681.db2.gz XQVYFUMOSPOTPL-GJZUVCINSA-N 1 0 437.605 5.163 1 0 IKAFRO COc1ccc([C@@H](c2cccs2)c2ccc(OC[C@@H](O)C[NH+]3CCCCC3)cc2)cc1 ZINC000029131578 563075702 /nfs/dbraw/zinc/07/57/02/563075702.db2.gz XQVYFUMOSPOTPL-BKMJKUGQSA-N 1 0 437.605 5.163 1 0 IKAFRO O=C(c1ccncc1)N1CCC2(CC1)CC[NH+](Cc1ccccc1Oc1ccccc1)CC2 ZINC000029133670 563075982 /nfs/dbraw/zinc/07/59/82/563075982.db2.gz IRDUJBOZWQOVPG-UHFFFAOYSA-N 1 0 441.575 5.392 1 0 IKAFRO Clc1cccc([C@](c2cccs2)(c2ccc(C[NH+]3CCCC3)cc2)n2ccnc2)c1 ZINC000029134905 563076066 /nfs/dbraw/zinc/07/60/66/563076066.db2.gz YPJMHYIATBWPDM-VWLOTQADSA-N 1 0 434.008 6.034 1 0 IKAFRO CC[NH+](CC)Cc1ccc([C@@](c2ccccc2)(c2ccc(Cl)cc2)n2ccnc2)cc1 ZINC000029134941 563076122 /nfs/dbraw/zinc/07/61/22/563076122.db2.gz YJIZZBOMVWCSDY-MHZLTWQESA-N 1 0 429.995 6.219 1 0 IKAFRO O=c1cc(-c2ccccc2)oc2ccc(OCCCCCC[C@@H]3CC[NH2+][C@H](CCO)C3)cc12 ZINC000029322953 563077919 /nfs/dbraw/zinc/07/79/19/563077919.db2.gz ILHCFXHHSGJCMQ-FYYLOGMGSA-N 1 0 449.591 5.540 1 0 IKAFRO CNc1cc(NC(=O)OC)ccc1N=C1C2=CCCC(C)(C)C2=[NH+][C@@H]2C1=CC=CC2(C)C ZINC000029339426 563078370 /nfs/dbraw/zinc/07/83/70/563078370.db2.gz WBMWGXSMQBTLEK-JOCHJYFZSA-N 1 0 432.568 5.904 1 0 IKAFRO O=C(Cc1ccccc1)N1CC[C@H]([NH2+]Cc2ccnc3ccccc23)C[C@H]1Cc1ccccc1 ZINC000029388642 563078733 /nfs/dbraw/zinc/07/87/33/563078733.db2.gz NKOIXVRNECOYPP-RRPNLBNLSA-N 1 0 449.598 5.169 1 0 IKAFRO COc1ccc(CC[N@H+](C)CCCC(c2ccccc2)(c2ccccc2)C(C)C)cc1OC ZINC000029389468 563078861 /nfs/dbraw/zinc/07/88/61/563078861.db2.gz SSJXHXKYYXFYRN-UHFFFAOYSA-N 1 0 445.647 6.601 1 0 IKAFRO COc1ccc(CC[N@H+](C)CCCC2(C(C)C)c3ccccc3-c3ccccc32)cc1OC ZINC000029392856 563079114 /nfs/dbraw/zinc/07/91/14/563079114.db2.gz XJUMFMWAKQOJHR-UHFFFAOYSA-N 1 0 443.631 6.581 1 0 IKAFRO C[C@H](C[N@@H+]1CCCC[C@@H]1CCCC1CCCCC1)c1cccc([C@@H](O)c2ccccc2)c1 ZINC000029409794 563079795 /nfs/dbraw/zinc/07/97/95/563079795.db2.gz FXIVOTOASLFLGA-DQWNXYKBSA-N 1 0 433.680 7.477 1 0 IKAFRO C[C@H](C[N@@H+]1CCCC[C@@H]1CC1CCCCC1)c1cccc([C@@H](O)c2ccc(Cl)cc2)c1 ZINC000029411053 563079808 /nfs/dbraw/zinc/07/98/08/563079808.db2.gz MJSHPECQCWIOCW-FQNJNTOFSA-N 1 0 440.071 7.350 1 0 IKAFRO COc1ccc(C(=O)c2cccc([C@@H](C)C[N@@H+]3CCCC[C@@H]3CC3CCCCC3)c2)cc1 ZINC000029410129 563079836 /nfs/dbraw/zinc/07/98/36/563079836.db2.gz MUKZEHLYYAFENJ-WXVAWEFUSA-N 1 0 433.636 6.855 1 0 IKAFRO COc1ccc([C@H](O)c2cccc([C@H](C)C[N@@H+]3CCCC[C@@H]3CC3CCCCC3)c2)cc1 ZINC000029413947 563079872 /nfs/dbraw/zinc/07/98/72/563079872.db2.gz RBOWGYFZKLNGOS-XRHWURSXSA-N 1 0 435.652 6.705 1 0 IKAFRO C[C@H](C(=O)OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(Br)cc1 ZINC000029412337 563079912 /nfs/dbraw/zinc/07/99/12/563079912.db2.gz VMYZPTAPWPVWMX-ONKNLRSLSA-N 1 0 428.370 5.291 1 0 IKAFRO CC1(C)Oc2ccccc2[C@@H](c2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]1c1ccccc1 ZINC000029471789 563080721 /nfs/dbraw/zinc/08/07/21/563080721.db2.gz UFUJEOSDMVGVSC-IZLXSDGUSA-N 1 0 427.588 6.248 1 0 IKAFRO Cc1cccc(/C=C/C(=O)NCCCCC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c1 ZINC000029484310 563081198 /nfs/dbraw/zinc/08/11/98/563081198.db2.gz WACCPHQZIPTDFU-OUKQBFOZSA-N 1 0 429.608 5.656 1 0 IKAFRO CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H]([NH2+]Cc1cccs1)c1ccccc1 ZINC000029488255 563081496 /nfs/dbraw/zinc/08/14/96/563081496.db2.gz NYGXWAWOFVVQLI-DEOSSOPVSA-N 1 0 435.637 6.648 1 0 IKAFRO CCCCOC(=O)[C@]1(c2ccccc2)C[C@H]1C[N@@H+]1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C ZINC000029548139 563081856 /nfs/dbraw/zinc/08/18/56/563081856.db2.gz HVDWDRVWLVNZRJ-YXYCDYAJSA-N 1 0 447.619 5.218 1 0 IKAFRO COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC[NH+]1CCCCC1 ZINC000029556739 563082128 /nfs/dbraw/zinc/08/21/28/563082128.db2.gz QXZNYTGAAOAYAM-UHFFFAOYSA-N 1 0 430.911 5.039 1 0 IKAFRO C[C@@H](Cn1c2ccccc2nc1NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000029558846 563082203 /nfs/dbraw/zinc/08/22/03/563082203.db2.gz PPKVHBYTSUNEDJ-QHCPKHFHSA-N 1 0 438.619 5.959 1 0 IKAFRO Clc1ccc(CC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccccc3)CC2)cc1 ZINC000029560442 563082293 /nfs/dbraw/zinc/08/22/93/563082293.db2.gz OORNAVZMLHZXMN-UHFFFAOYSA-N 1 0 445.010 5.857 1 0 IKAFRO CN(c1nc2ccccc2n1Cc1ccc(F)cc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000029560627 563082325 /nfs/dbraw/zinc/08/23/25/563082325.db2.gz VBVIKRHCDMFVJS-UHFFFAOYSA-N 1 0 442.582 5.367 1 0 IKAFRO Nc1sc2c(c1C(=O)c1cccc(C(F)(F)F)c1)CC[N@@H+](CCc1ccccc1)C2 ZINC000029565679 563082555 /nfs/dbraw/zinc/08/25/55/563082555.db2.gz PVBJXGWVOLJLEQ-UHFFFAOYSA-N 1 0 430.495 5.181 1 0 IKAFRO COc1cccc2c1CC[C@H]([N@H+](C)CCCCNC(=O)c1ccc(-c3ccccc3)cc1)C2 ZINC000029568102 563082647 /nfs/dbraw/zinc/08/26/47/563082647.db2.gz FOYUWODSNRINIS-SANMLTNESA-N 1 0 442.603 5.362 1 0 IKAFRO Cc1ccc(Cn2c3ccccc3nc2N(C)C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000029569045 563082822 /nfs/dbraw/zinc/08/28/22/563082822.db2.gz RIWSYCADRZWNCZ-UHFFFAOYSA-N 1 0 438.619 5.536 1 0 IKAFRO C[C@H](c1ccc(F)cc1)n1c2ccccc2nc1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000029569223 563082946 /nfs/dbraw/zinc/08/29/46/563082946.db2.gz ZJCNMXJGFOYQRQ-OAQYLSRUSA-N 1 0 442.582 5.904 1 0 IKAFRO C[C@@H]1c2cccc3cccc(c23)[C@@H]1C(=O)N(C)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1[NH+]1CCCC1 ZINC000029569439 563082968 /nfs/dbraw/zinc/08/29/68/563082968.db2.gz XWROGPXUCYJQLL-BLMGMVSYSA-N 1 0 432.608 5.065 1 0 IKAFRO Fc1ccccc1Cn1c2ccccc2nc1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000029569430 563082985 /nfs/dbraw/zinc/08/29/85/563082985.db2.gz UJXGEBAZHAIXFP-UHFFFAOYSA-N 1 0 428.555 5.343 1 0 IKAFRO COc1cc2c3c(c1OC)-c1ccccc1[C@H]([C@@H](OC(C)=O)c1ccccc1)[C@H]3[N@H+](C)CC2 ZINC000031829640 563083547 /nfs/dbraw/zinc/08/35/47/563083547.db2.gz IGRKHRUNPPEQNP-QKDODKLFSA-N 1 0 443.543 5.301 1 0 IKAFRO Clc1ccc([C@@H](Cc2ccccc2)c2c(Cl)nc(N3CC[NH2+]CC3)nc2Cl)cc1 ZINC000031897393 563083663 /nfs/dbraw/zinc/08/36/63/563083663.db2.gz BTPBUQKJMHWWNF-GOSISDBHSA-N 1 0 447.797 5.221 1 0 IKAFRO CCC1=C(c2ccc(O)cc2)c2ccc(OCC[NH+](C)C)cc2SCc2ccccc21 ZINC000033889726 563084951 /nfs/dbraw/zinc/08/49/51/563084951.db2.gz ZQSMVXIDYCBVDH-UHFFFAOYSA-N 1 0 431.601 6.307 1 0 IKAFRO COc1ccc2c(c1)oc(=O)c(-c1ccccc1)c2-c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000033876394 563084976 /nfs/dbraw/zinc/08/49/76/563084976.db2.gz WVIZWBKWFUJILJ-UHFFFAOYSA-N 1 0 441.527 5.610 1 0 IKAFRO CCCC/C=C/C/C=C/CCCCCCCCC(=O)OC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000033913589 563084999 /nfs/dbraw/zinc/08/49/99/563084999.db2.gz VHRHCOQFSHKQLI-MXFQXDLTSA-N 1 0 431.705 7.608 1 0 IKAFRO O=C(Nc1ccc2c(c1)CCC(C[NH+]1CCCC1)=C2)c1ccc(-c2ccc(F)cc2)cc1 ZINC000034025070 563085357 /nfs/dbraw/zinc/08/53/57/563085357.db2.gz VHNFRNTVRLAIBR-UHFFFAOYSA-N 1 0 426.535 6.170 1 0 IKAFRO Cc1ccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CC[NH2+]CC3)n2)c(C)c1 ZINC000034012937 563085367 /nfs/dbraw/zinc/08/53/67/563085367.db2.gz LUJGQXQCHRYWMJ-UHFFFAOYSA-N 1 0 443.526 5.480 1 0 IKAFRO O=C(Nc1ccccc1Cl)O[C@H]1C2CC[NH+](CC2)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000034631117 563086596 /nfs/dbraw/zinc/08/65/96/563086596.db2.gz UBMJTPXGHBYFOE-FTJBHMTQSA-N 1 0 446.978 6.183 1 0 IKAFRO Fc1ccc(-c2ncn(C3CC[NH2+]CC3)c2-c2ccnc(Oc3cccc(F)c3)n2)cc1 ZINC000034753278 563087074 /nfs/dbraw/zinc/08/70/74/563087074.db2.gz AKMVOBFZFANXPT-UHFFFAOYSA-N 1 0 433.462 5.002 1 0 IKAFRO C[N@@H+]1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cc(C(C)(C)C)cc4[nH]cc(c43)C[C@H]21 ZINC000034800932 563087323 /nfs/dbraw/zinc/08/73/23/563087323.db2.gz JIEYWGGNJSSGDF-UWUFEASWSA-N 1 0 445.607 5.352 1 0 IKAFRO O=C1NC(c2ccccc2)(c2ccccc2)CN1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000034802144 563087602 /nfs/dbraw/zinc/08/76/02/563087602.db2.gz ZDNLCBVEWCZBLZ-ZVBBVAIHSA-N 1 0 437.587 5.151 1 0 IKAFRO Cc1cccc(C[NH+]2CCC(N3C[C@@](c4ccccc4)(C4CCCCC4)NC3=O)CC2)c1 ZINC000034802123 563087611 /nfs/dbraw/zinc/08/76/11/563087611.db2.gz MRELIADAHWJAPD-MUUNZHRXSA-N 1 0 431.624 5.460 1 0 IKAFRO O=C1N(Cc2ccccc2)[C@@H](c2ccccc2)CN1C1CC[NH+](Cc2ccccc2)CC1 ZINC000034802137 563087632 /nfs/dbraw/zinc/08/76/32/563087632.db2.gz HEOLOYBLVYPIDH-HHHXNRCGSA-N 1 0 425.576 5.330 1 0 IKAFRO C[NH+](C)CCc1ccc(Nc2nc3ncnc(Nc4ccc(F)c(Cl)c4)c3s2)cc1 ZINC000034874839 563088385 /nfs/dbraw/zinc/08/83/85/563088385.db2.gz DKDKYLIXOSFJHV-UHFFFAOYSA-N 1 0 442.951 5.470 1 0 IKAFRO C[NH+](C)C12C[C@@H](OC(=O)c3cccnc3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000035048718 563089035 /nfs/dbraw/zinc/08/90/35/563089035.db2.gz JYJAOXOVCMOQIU-OTPDJTCMSA-N 1 0 426.560 5.289 1 0 IKAFRO C[C@H]1C[N@@H+]2CCN(Cc3cccc(Oc4ccccc4)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 ZINC000035075224 563089149 /nfs/dbraw/zinc/08/91/49/563089149.db2.gz OFXDNKVWESBBSG-OMRWSRCMSA-N 1 0 442.603 5.668 1 0 IKAFRO O=C(Nc1ccccc1Cl)O[C@@H]1C2CC[NH+](CC2)[C@H]1C(c1ccccc1)c1ccccc1 ZINC000035820523 563089966 /nfs/dbraw/zinc/08/99/66/563089966.db2.gz UBMJTPXGHBYFOE-IZZNHLLZSA-N 1 0 446.978 6.183 1 0 IKAFRO C[C@H]1c2c3cc(C(F)(F)F)ccc3[nH]c2C[C@H]2CC[N@@H+](CCCC3CCOCC3)C[C@H]12 ZINC000035819304 563089981 /nfs/dbraw/zinc/08/99/81/563089981.db2.gz VGWOOKCYUNUQRH-HGHGUNKESA-N 1 0 434.546 5.991 1 0 IKAFRO Fc1ccc(-c2ncn(C3CC[NH2+]CC3)c2-c2ccnc(Oc3ccc(Cl)cc3)n2)cc1 ZINC000036127106 563091245 /nfs/dbraw/zinc/09/12/45/563091245.db2.gz ZTUCRQHYVRNKFG-UHFFFAOYSA-N 1 0 449.917 5.516 1 0 IKAFRO Cc1ccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CC[NH2+]CC3)n2)cc1C ZINC000036127072 563091298 /nfs/dbraw/zinc/09/12/98/563091298.db2.gz ZPVIXTLWEIXXCD-UHFFFAOYSA-N 1 0 443.526 5.480 1 0 IKAFRO C[NH2+]Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc([C@@H](C)c2ccccc2)n1 ZINC000036161086 563091460 /nfs/dbraw/zinc/09/14/60/563091460.db2.gz FHGDBMUFZVSEES-SFHVURJKSA-N 1 0 437.522 5.469 1 0 IKAFRO Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@@H]2COC(c2ccc(F)cc2)c2ccc(F)cc2)[N@@H+]3C)cc1 ZINC000036270743 563092445 /nfs/dbraw/zinc/09/24/45/563092445.db2.gz WXEOOMWVKIXGIR-GCFVYEKYSA-N 1 0 447.569 6.646 1 0 IKAFRO CC(C)C[C@H]([NH3+])c1cc(F)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000036285828 563092474 /nfs/dbraw/zinc/09/24/74/563092474.db2.gz YUFHFXQMTLZCJK-JPYJTQIMSA-N 1 0 446.010 5.052 1 0 IKAFRO CC(C)C[C@H]([NH3+])c1ccccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2F)CC1 ZINC000036285839 563092497 /nfs/dbraw/zinc/09/24/97/563092497.db2.gz HPSCGSKXNUHVGN-JPYJTQIMSA-N 1 0 446.010 5.052 1 0 IKAFRO Cc1ccc(Oc2ccc3c(c2)occ(-c2ccc(N4CC[C@H]([NH+](C)C)C4)nc2)c3=O)cc1 ZINC000036351536 563093277 /nfs/dbraw/zinc/09/32/77/563093277.db2.gz UUDYITTYWHKWMB-FQEVSTJZSA-N 1 0 441.531 5.096 1 0 IKAFRO Nc1cc(C2CCCC2)[nH+]c2ccc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)cc12 ZINC000036351898 563093441 /nfs/dbraw/zinc/09/34/41/563093441.db2.gz JXCIBNRWOQTDEP-KPKJPENVSA-N 1 0 425.454 6.145 1 0 IKAFRO CC(C)(C)Cc1cc(N)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2[nH+]1 ZINC000036351882 563093470 /nfs/dbraw/zinc/09/34/70/563093470.db2.gz VMAKKIUPVLGJGU-IZZDOVSWSA-N 1 0 427.470 6.076 1 0 IKAFRO CCC[N@H+](CCCCNc1ccnc2cc(Cl)ccc21)Cc1cccc2c1OCO2 ZINC000036474298 563095453 /nfs/dbraw/zinc/09/54/53/563095453.db2.gz DZQTYJUSPIYFEJ-UHFFFAOYSA-N 1 0 425.960 5.721 1 0 IKAFRO CC(C)(C)C(=O)O[C@@H]1CC2([NH+]3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000036474637 563095478 /nfs/dbraw/zinc/09/54/78/563095478.db2.gz APXNCZPSWSMUGA-JUBDNZILSA-N 1 0 445.647 6.550 1 0 IKAFRO COc1ccc([C@@H]2CNC(=O)C23CC[NH+]([C@H]2CCCC[C@H]2c2ccc(C)cc2)CC3)cc1 ZINC000038147553 563096323 /nfs/dbraw/zinc/09/63/23/563096323.db2.gz QXXZBLGXDWJYNL-GSDHBNRESA-N 1 0 432.608 5.026 1 0 IKAFRO C[NH+](C)Cc1ccc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2n1 ZINC000038149738 563096637 /nfs/dbraw/zinc/09/66/37/563096637.db2.gz RAXCDNRFFLXBJM-UHFFFAOYSA-N 1 0 446.963 5.377 1 0 IKAFRO C[C@H](C[N@@H+]1CCCC[C@@H]1CCCC1CCCCC1)c1cccc([C@H](O)c2ccccc2)c1 ZINC000039643446 563099315 /nfs/dbraw/zinc/09/93/15/563099315.db2.gz FXIVOTOASLFLGA-HGLPBTONSA-N 1 0 433.680 7.477 1 0 IKAFRO c1ccc(CCCCN2CC[NH+](CCCCn3c4ccccc4c4ccccc43)CC2)cc1 ZINC000040380338 563099618 /nfs/dbraw/zinc/09/96/18/563099618.db2.gz XCFSHEMBUMCMIB-UHFFFAOYSA-N 1 0 439.647 6.215 1 0 IKAFRO CCCN1CN(c2ccccc2)C2(CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000040405151 563101277 /nfs/dbraw/zinc/10/12/77/563101277.db2.gz NAULSWWRXJIQAH-UHFFFAOYSA-N 1 0 439.603 5.327 1 0 IKAFRO CCC(=O)Nc1cccc(CC2CC[NH+](CCOc3cccc4nc(C)ccc43)CC2)c1 ZINC000040430354 563103348 /nfs/dbraw/zinc/10/33/48/563103348.db2.gz ODXJLJIAAZRHCS-UHFFFAOYSA-N 1 0 431.580 5.225 1 0 IKAFRO C[C@@H]1c2ccccc2[C@H](C[NH+]2CCCC2)N(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]1C ZINC000040472055 563103926 /nfs/dbraw/zinc/10/39/26/563103926.db2.gz PLYOATQTXPMHSZ-MFEFFIJZSA-N 1 0 431.407 5.707 1 0 IKAFRO CC(C)(C)c1ccc(NC(=O)c2c(Cn3ccc4c[nH+]ccc43)ccc3ccccc32)cc1 ZINC000040556614 563104593 /nfs/dbraw/zinc/10/45/93/563104593.db2.gz QBLUCJVUCLKJOT-UHFFFAOYSA-N 1 0 433.555 6.788 1 0 IKAFRO O=C1CC2([NH+]3CCCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000040575520 563105236 /nfs/dbraw/zinc/10/52/36/563105236.db2.gz OSJACWKUJFTZTI-SCEDHHNCSA-N 1 0 428.403 6.468 1 0 IKAFRO C[NH+]1CCN(C2=Nc3ccc(Br)cc3CC=C2c2ccc(Cl)cc2)CC1 ZINC000040639494 563105705 /nfs/dbraw/zinc/10/57/05/563105705.db2.gz CMNIJGUEXMQROT-UHFFFAOYSA-N 1 0 430.777 5.020 1 0 IKAFRO O=C1CC2([NH+]3CCCC3)C[C@@H](c3ccc(Cl)cc3)C(N1)[C@H](c1ccc(Cl)cc1)C2 ZINC000040753387 563106265 /nfs/dbraw/zinc/10/62/65/563106265.db2.gz WBTBEARURMOPNS-CQNRZJDLSA-N 1 0 429.391 5.378 1 0 IKAFRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000040766927 563106608 /nfs/dbraw/zinc/10/66/08/563106608.db2.gz NSFZDYBBKDKESR-UOKFIYJESA-N 1 0 443.012 5.434 1 0 IKAFRO CC[NH+]1CCN(C2=Nc3ccc(Br)cc3CC=C2c2ccc(Cl)cc2)CC1 ZINC000040801447 563106771 /nfs/dbraw/zinc/10/67/71/563106771.db2.gz GHDGPHSLOYVQNP-UHFFFAOYSA-N 1 0 444.804 5.410 1 0 IKAFRO CNc1nccc(-c2cccnc2Oc2ccc(Nc3[nH]c4ccccc4[nH+]3)c(C)c2C)n1 ZINC000040879039 563109688 /nfs/dbraw/zinc/10/96/88/563109688.db2.gz MPWQFBOWINVMPU-UHFFFAOYSA-N 1 0 437.507 5.609 1 0 IKAFRO CC[NH+](CC)CCCNc1nc2c(nc3ccccc3c2Nc2cccc(Cl)c2)s1 ZINC000040879821 563109792 /nfs/dbraw/zinc/10/97/92/563109792.db2.gz YYZJNGBKQKFIJP-UHFFFAOYSA-N 1 0 440.016 6.385 1 0 IKAFRO CNC(=O)c1cc(Oc2ccc3c(c2)[nH+]c(Nc2ccccc2C(C)(C)C)n3C)ccn1 ZINC000040891669 563109884 /nfs/dbraw/zinc/10/98/84/563109884.db2.gz JCUKOAXRNJZKDA-UHFFFAOYSA-N 1 0 429.524 5.161 1 0 IKAFRO Clc1ccc2c(c1)nccc2NCCCCC[NH2+]CCC12CC3CC(CC(C3)C1)C2 ZINC000040894806 563110280 /nfs/dbraw/zinc/11/02/80/563110280.db2.gz WCZVTSRMGIGYOG-UHFFFAOYSA-N 1 0 426.048 6.667 1 0 IKAFRO COc1ccccc1N1CC[NH+](CCCCCCSc2nc3ccccc3o2)CC1 ZINC000040917240 563111517 /nfs/dbraw/zinc/11/15/17/563111517.db2.gz UAQAANDOLMXUHK-UHFFFAOYSA-N 1 0 425.598 5.311 1 0 in-vitro IKAFRO O=C(Nc1ccc2[nH]cc(C3CC[NH+](Cc4ccccc4)CC3)c2c1)c1ccc(F)cc1 ZINC000040943409 563113658 /nfs/dbraw/zinc/11/36/58/563113658.db2.gz VMTCHHSTQXKXRR-UHFFFAOYSA-N 1 0 427.523 5.939 1 0 in-vitro IKAFRO CC(C)(C)c1ccc(NC(=O)c2cccc3c2CC[N@H+](Cc2ccnc4ccccc24)C3)cc1 ZINC000040952951 563114200 /nfs/dbraw/zinc/11/42/00/563114200.db2.gz SVELZAVYKTYQGE-UHFFFAOYSA-N 1 0 449.598 6.343 1 0 IKAFRO CC(C)[C@H]([NH3+])c1cc(Cl)ccc1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000040955001 563114544 /nfs/dbraw/zinc/11/45/44/563114544.db2.gz KFAFGGMHZZLQQM-HXOBKFHXSA-N 1 0 448.438 5.177 1 0 IKAFRO Cc1c(C[NH2+]C2CCCC2)nn(-c2ncccc2Cl)c1-c1ccc(C(F)(F)F)nc1 ZINC000040954869 563114571 /nfs/dbraw/zinc/11/45/71/563114571.db2.gz KFCRNTJMDMAOQP-UHFFFAOYSA-N 1 0 435.881 5.342 1 0 IKAFRO CC(C)(C)CC[NH+]1CCC(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000040957401 563114853 /nfs/dbraw/zinc/11/48/53/563114853.db2.gz FBIUXJHRENXOOS-UHFFFAOYSA-N 1 0 438.456 5.602 1 0 IKAFRO COc1cccc(CCc2ccccc2OCCCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000042878315 563115827 /nfs/dbraw/zinc/11/58/27/563115827.db2.gz NEQJFIXEALLTIV-UHFFFAOYSA-N 1 0 429.604 6.088 1 0 IKAFRO CC(C)NC(=[NH2+])c1ccc2oc(-c3ccc(OCCCOc4ccccc4)cc3)cc2c1 ZINC000043012017 563116549 /nfs/dbraw/zinc/11/65/49/563116549.db2.gz ULZKXTLKUADOJK-UHFFFAOYSA-N 1 0 428.532 6.271 1 0 IKAFRO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc3cc(F)ccc3c2)C1)c1ccccc1-c1ccccc1 ZINC000043020085 563117139 /nfs/dbraw/zinc/11/71/39/563117139.db2.gz GDDUTDROJXVVIG-AREMUKBSSA-N 1 0 438.546 6.040 1 0 IKAFRO C[NH+](C)Cc1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1 ZINC000043069301 563118000 /nfs/dbraw/zinc/11/80/00/563118000.db2.gz GNHFCYDJPFQHDJ-UHFFFAOYSA-N 1 0 438.453 5.334 1 0 IKAFRO CC(C)NC(=[NH2+])c1ccc2oc(-c3cccc(OCCCCOc4ccccc4)c3)cc2c1 ZINC000043079734 563118505 /nfs/dbraw/zinc/11/85/05/563118505.db2.gz HKNVEQRTSOEPSG-UHFFFAOYSA-N 1 0 442.559 6.661 1 0 IKAFRO Cc1ccc(F)cc1Oc1c(C(=O)N2CC[NH2+]CC2)c2ccccc2n1[C@H]1C=CCCC1 ZINC000043206832 563119654 /nfs/dbraw/zinc/11/96/54/563119654.db2.gz XGQGEYWNCFBSST-FQEVSTJZSA-N 1 0 433.527 5.208 1 0 IKAFRO CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NC1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000045166973 563122216 /nfs/dbraw/zinc/12/22/16/563122216.db2.gz HOQKOECLDSSFII-SOHYYKKVSA-N 1 0 436.383 5.006 1 0 IKAFRO CCCCCC[N@@H+]1CCCN(Cc2ccc(C(=O)Nc3ccc(C)c(F)c3)cc2)CC1 ZINC000045167334 563122384 /nfs/dbraw/zinc/12/23/84/563122384.db2.gz PIIQLKJJVZSDRN-UHFFFAOYSA-N 1 0 425.592 5.474 1 0 IKAFRO C[NH2+]CCNCc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1 ZINC000045168161 563122608 /nfs/dbraw/zinc/12/26/08/563122608.db2.gz CCTFXHZKEREXMV-UHFFFAOYSA-N 1 0 430.499 5.286 1 0 IKAFRO CCC[C@H](CNc1cc(=O)c2ccccc2[nH]1)C[NH2+]Cc1cccc(SC(F)(F)F)c1 ZINC000045168900 563122650 /nfs/dbraw/zinc/12/26/50/563122650.db2.gz IKMSGXJRMDCLOQ-KRWDZBQOSA-N 1 0 449.542 5.758 1 0 IKAFRO O=C(Nc1ccccc1)c1ccc(-c2cc3ccncc3cc2OC2CC[NH2+]CC2)s1 ZINC000045168822 563122667 /nfs/dbraw/zinc/12/26/67/563122667.db2.gz KDGAYIQHBSZFAC-UHFFFAOYSA-N 1 0 429.545 5.346 1 0 IKAFRO COc1ccc(C[NH2+]Cc2cccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)c2)cc1 ZINC000045186646 563122756 /nfs/dbraw/zinc/12/27/56/563122756.db2.gz IOVIEIPIGZNTTH-UHFFFAOYSA-N 1 0 425.557 6.257 1 0 IKAFRO O=C(Nc1ccc(OC2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1)c1ccc(F)cc1 ZINC000045186505 563122758 /nfs/dbraw/zinc/12/27/58/563122758.db2.gz PKOLPWKHLISMDG-UHFFFAOYSA-N 1 0 438.930 5.775 1 0 IKAFRO O=C(/C=C/C=C/c1ccccc1)NCCCCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000045187171 563122899 /nfs/dbraw/zinc/12/28/99/563122899.db2.gz CGKHVQOMCXGFMS-VMUIEEQSSA-N 1 0 441.619 5.903 1 0 IKAFRO Cc1[nH]c2cc(C)ccc2c1C1=CC[N@H+](CCCC[C@]2(C)c3cccc(F)c3NC2=O)CC1 ZINC000045187282 563122928 /nfs/dbraw/zinc/12/29/28/563122928.db2.gz BBKOHLVWYIJYFU-MUUNZHRXSA-N 1 0 445.582 6.093 1 0 IKAFRO Cc1cc2nc(-c3ccc(OCC(=O)NCc4ccc(C(C)(C)C)cc4)cc3)[nH]c2cc1C ZINC000045188968 563123088 /nfs/dbraw/zinc/12/30/88/563123088.db2.gz GDDSRPIMVTXPID-UHFFFAOYSA-N 1 0 441.575 5.839 1 0 IKAFRO Cc1ccccc1C1CC[NH+](C2CCC(NC(=O)/C=C/c3c[nH]c4ccccc34)CC2)CC1 ZINC000045189046 563123222 /nfs/dbraw/zinc/12/32/22/563123222.db2.gz MTCPFAWGJGZOOS-XNTDXEJSSA-N 1 0 441.619 5.797 1 0 IKAFRO Cc1ccc(NC(=O)c2ccc(C(=O)NC3CC[NH+](CC4CCCCC4)CC3)cc2)cc1 ZINC000045189883 563123359 /nfs/dbraw/zinc/12/33/59/563123359.db2.gz XZQHHTKOOXKXSF-UHFFFAOYSA-N 1 0 433.596 5.022 1 0 IKAFRO COc1ccc(-c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1CN1CC[NH+](C)CC1 ZINC000045190346 563123477 /nfs/dbraw/zinc/12/34/77/563123477.db2.gz DSUKEXOPOUQEDC-UHFFFAOYSA-N 1 0 449.982 5.015 1 0 IKAFRO C[C@@H](Cc1ccc(Sc2ccccc2)cc1)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000045190238 563123492 /nfs/dbraw/zinc/12/34/92/563123492.db2.gz DIRLRUINXUWWAZ-SBUREZEXSA-N 1 0 431.523 6.111 1 0 IKAFRO Cc1ccc(O)cc1Nc1ccnc2ccc(-c3cccc(C[NH2+]CCN(C)C)c3)cc21 ZINC000045190903 563123591 /nfs/dbraw/zinc/12/35/91/563123591.db2.gz HARDXBKSYFHKCH-UHFFFAOYSA-N 1 0 426.564 5.311 1 0 IKAFRO O=C(/C=C/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000045190768 563123598 /nfs/dbraw/zinc/12/35/98/563123598.db2.gz OVPPARVKZVMJMM-XCBJPIOPSA-N 1 0 449.466 6.504 1 0 IKAFRO COC(=O)c1cccc(C[NH2+]Cc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)c1 ZINC000045190722 563123646 /nfs/dbraw/zinc/12/36/46/563123646.db2.gz BBGBFSFNBOTPLY-UHFFFAOYSA-N 1 0 447.538 5.973 1 0 IKAFRO CNc1ccc(C[NH2+]Cc2cccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)cc3)c2)cc1 ZINC000045191737 563123705 /nfs/dbraw/zinc/12/37/05/563123705.db2.gz QIZMDZJXPAVJDB-UHFFFAOYSA-N 1 0 432.571 6.537 1 0 IKAFRO CCCCCC[N@@H+]1CCCN(Cc2cccc(C(=O)Nc3ccc(C(C)(C)C)cc3)c2)CC1 ZINC000045192007 563123754 /nfs/dbraw/zinc/12/37/54/563123754.db2.gz NWDFNPQOXMFCFG-UHFFFAOYSA-N 1 0 449.683 6.324 1 0 IKAFRO COc1cc(NC(=O)/C=C/c2cccc3cc[nH]c32)ccc1OCC[NH+](C(C)C)C(C)C ZINC000045192275 563123860 /nfs/dbraw/zinc/12/38/60/563123860.db2.gz JTSDVFHDHVNANW-FMIVXFBMSA-N 1 0 435.568 5.326 1 0 IKAFRO C[NH+](C)CCOc1ccc(-c2cc(-c3ccncc3)c(-c3ccc(Cl)c(O)c3)[nH]2)cc1 ZINC000045192223 563123891 /nfs/dbraw/zinc/12/38/91/563123891.db2.gz QBWKZQXJHJEIGV-UHFFFAOYSA-N 1 0 433.939 5.710 1 0 IKAFRO COc1cccc(CC[NH2+][C@H](C)Cc2ccc(OCCCCOc3ccccc3)cc2)c1 ZINC000045194325 563124168 /nfs/dbraw/zinc/12/41/68/563124168.db2.gz PBAYAWDNCUAJQP-HSZRJFAPSA-N 1 0 433.592 5.697 1 0 IKAFRO COc1ccc(C[NH2+]Cc2cccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)cc3)c2)cc1 ZINC000045194339 563124218 /nfs/dbraw/zinc/12/42/18/563124218.db2.gz RVKDNRGYVOBBLE-UHFFFAOYSA-N 1 0 433.555 6.504 1 0 IKAFRO CCCCCC[N@@H+]1CCCN(Cc2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000045194962 563124293 /nfs/dbraw/zinc/12/42/93/563124293.db2.gz AOJKWRMNFJAKLK-UHFFFAOYSA-N 1 0 449.683 6.324 1 0 IKAFRO Cc1ccccc1C1CC[NH+](C2CCC(NC(=O)/C=C/c3cc(F)ccc3F)CC2)CC1 ZINC000045195666 563124440 /nfs/dbraw/zinc/12/44/40/563124440.db2.gz KTOFINAHQGYTJV-AWNIVKPZSA-N 1 0 438.562 5.593 1 0 IKAFRO Cc1cc(N[C@H]2CC[N@H+](CC3CCCCC3)C2)nc(Nc2ccc(Br)cc2)n1 ZINC000045229444 563126006 /nfs/dbraw/zinc/12/60/06/563126006.db2.gz YCMILAFOOKDIGZ-FQEVSTJZSA-N 1 0 444.421 5.358 1 0 IKAFRO CCc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3cc(-c4cccc(Cl)c4)cs3)C2)cc1 ZINC000045201629 563124819 /nfs/dbraw/zinc/12/48/19/563124819.db2.gz UPYRRKVDGCFLHC-FQEVSTJZSA-N 1 0 439.024 5.883 1 0 IKAFRO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CCCC[C@]23CCCc4cccc(c42)NC3=O)CC1 ZINC000045202541 563125030 /nfs/dbraw/zinc/12/50/30/563125030.db2.gz YCFIVMIIZTVCMP-LJAQVGFWSA-N 1 0 439.603 5.962 1 0 IKAFRO CC(C)CC[N@@H+]1CCCN(Cc2cccc(C(=O)Nc3ccc(C(C)(C)C)cc3)c2)CC1 ZINC000045202557 563125079 /nfs/dbraw/zinc/12/50/79/563125079.db2.gz FXBHWWMFAFHCDK-UHFFFAOYSA-N 1 0 435.656 5.790 1 0 IKAFRO CN(C)CC[NH2+]Cc1ccc(-c2ccc3c(c2)nccc3Nc2ccc(Cl)cc2F)o1 ZINC000045210917 563125323 /nfs/dbraw/zinc/12/53/23/563125323.db2.gz SQVAAFGJEOMTHQ-UHFFFAOYSA-N 1 0 438.934 5.682 1 0 IKAFRO COc1cc(-c2cc3cc(Cl)c(Cl)cc3[nH]2)ccc1C(=O)NCC[C@@H]1CCC[N@@H+]1C ZINC000045227366 563125509 /nfs/dbraw/zinc/12/55/09/563125509.db2.gz YOKVMHQAQPQLGB-INIZCTEOSA-N 1 0 446.378 5.364 1 0 IKAFRO Cc1[nH]c2cc(F)ccc2c1C1=CC[N@H+](CCCC[C@@]2(C)c3cccc(F)c3NC2=O)CC1 ZINC000045228932 563125826 /nfs/dbraw/zinc/12/58/26/563125826.db2.gz UWPLSEIKDQMWIO-MHZLTWQESA-N 1 0 449.545 5.924 1 0 IKAFRO O[C@H](c1cccc2ccccc21)[C@@H]1C[N@H+](CCc2ccccc2)CC[C@@]1(O)c1ccccc1 ZINC000045229273 563125858 /nfs/dbraw/zinc/12/58/58/563125858.db2.gz XFFYVBZPCUFWIJ-FRXPANAUSA-N 1 0 437.583 5.326 1 0 IKAFRO CCOc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(C2CC[NH+](C)CC2)cc1 ZINC000045230636 563126051 /nfs/dbraw/zinc/12/60/51/563126051.db2.gz YHHJLQROCNICTH-IZZDOVSWSA-N 1 0 443.385 5.309 1 0 IKAFRO CC(C)=CCC/C(C)=C/[C@@H](Cc1ccc(F)cc1)NCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000045255362 563127228 /nfs/dbraw/zinc/12/72/28/563127228.db2.gz OMPNVHGBPJXSBP-JJNLPCPESA-N 1 0 438.675 6.433 1 0 IKAFRO CC(C)=CCC/C(C)=C/[C@H](Cc1ccc(F)cc1)NCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000045255366 563127232 /nfs/dbraw/zinc/12/72/32/563127232.db2.gz OMPNVHGBPJXSBP-OSTDKLPVSA-N 1 0 438.675 6.433 1 0 IKAFRO CC[NH+](CC)CCOc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1ccnn1C ZINC000045256601 563127351 /nfs/dbraw/zinc/12/73/51/563127351.db2.gz SMNUGZRSESGPMI-UHFFFAOYSA-N 1 0 441.963 5.105 1 0 IKAFRO C[NH+](C)CC[C@@H](NC(=O)c1cccc(-c2ccc(Cl)cc2)c1)c1ccc2ccccc2c1 ZINC000045288002 563128584 /nfs/dbraw/zinc/12/85/84/563128584.db2.gz GVPOEILTRKNVMH-HHHXNRCGSA-N 1 0 442.990 6.583 1 0 IKAFRO Clc1ccc2c(c1)nccc2NCCC[NH2+]CCN(c1ccccc1)c1ccccc1 ZINC000045298879 563128976 /nfs/dbraw/zinc/12/89/76/563128976.db2.gz GXQCQNPIOANXJM-UHFFFAOYSA-N 1 0 430.983 6.118 1 0 IKAFRO O[C@H](c1ccc2ccccc2c1)[C@@H]1C[N@H+](CCc2ccccc2)CC[C@@]1(O)c1ccccc1 ZINC000045301563 563129269 /nfs/dbraw/zinc/12/92/69/563129269.db2.gz BLEPDVZKUWUXPR-FRXPANAUSA-N 1 0 437.583 5.326 1 0 IKAFRO Cc1cccc2[nH]c(-c3cccc(-c4cccc(C[NH2+]CCCN5CCCC5=O)c4)c3)nc21 ZINC000045301824 563129278 /nfs/dbraw/zinc/12/92/78/563129278.db2.gz ZPIKFZUJOHTDDN-UHFFFAOYSA-N 1 0 438.575 5.307 1 0 IKAFRO CCc1ccc(NC(=O)c2ccc(CN3CCC[N@H+](CC4CCCCC4)CC3)cc2)cc1 ZINC000045316837 563130002 /nfs/dbraw/zinc/13/00/02/563130002.db2.gz XUNLURUXMYEZFT-UHFFFAOYSA-N 1 0 433.640 5.589 1 0 IKAFRO CC(C)(C)CC[NH+]1CCC(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)s2)CC1 ZINC000045319724 563130115 /nfs/dbraw/zinc/13/01/15/563130115.db2.gz IQOZLJGEBJELSW-UHFFFAOYSA-N 1 0 438.559 6.064 1 0 IKAFRO CN(CC[NH3+])Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1 ZINC000045321707 563130305 /nfs/dbraw/zinc/13/03/05/563130305.db2.gz WQLNJIRHBFLEQE-UHFFFAOYSA-N 1 0 430.499 5.368 1 0 IKAFRO O=C(Nc1ccc(OC2CC[NH+](Cc3ccsc3)CC2)c(Cl)c1)c1cccs1 ZINC000045322429 563130412 /nfs/dbraw/zinc/13/04/12/563130412.db2.gz ATLSZLQIJIDRIK-UHFFFAOYSA-N 1 0 432.998 5.759 1 0 IKAFRO COc1ccc(-c2nc3ccccc3n2C2CC[NH+](Cc3ccc(C)o3)CC2)cc1OC ZINC000045322535 563130542 /nfs/dbraw/zinc/13/05/42/563130542.db2.gz JNUIWXPLHDAWEN-UHFFFAOYSA-N 1 0 431.536 5.459 1 0 IKAFRO C[NH+]1CCC(C(=O)Nc2ccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)cc2)CC1 ZINC000045323299 563130675 /nfs/dbraw/zinc/13/06/75/563130675.db2.gz MEADPEOLAQSKAA-UHFFFAOYSA-N 1 0 428.511 5.316 1 0 IKAFRO CN1CCC[N@H+](Cc2ccc(-c3ccc(NC(=O)c4cccc(Cl)c4)cc3)cc2)CC1 ZINC000045334773 563131152 /nfs/dbraw/zinc/13/11/52/563131152.db2.gz MFRDVVCVEXEKOI-UHFFFAOYSA-N 1 0 433.983 5.397 1 0 IKAFRO Cc1ccc2[nH]c(-c3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3)nc2c1C ZINC000045334702 563131181 /nfs/dbraw/zinc/13/11/81/563131181.db2.gz PIGIMKPCEAYVHM-UHFFFAOYSA-N 1 0 438.575 5.241 1 0 IKAFRO COC(=O)c1cccc(C[NH2+]Cc2cccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)c2)c1 ZINC000045335585 563131255 /nfs/dbraw/zinc/13/12/55/563131255.db2.gz NLIXGYXKWGYSPV-UHFFFAOYSA-N 1 0 447.538 5.973 1 0 IKAFRO CCN(CCC[NH+]1CCCCC1)c1cc(C)nc(Nc2ccc(C)cc2Br)n1 ZINC000045335123 563131284 /nfs/dbraw/zinc/13/12/84/563131284.db2.gz WEBGGPRWOGBDAI-UHFFFAOYSA-N 1 0 446.437 5.302 1 0 IKAFRO COc1cc2[nH+]ccc(Nc3ccc4c(cnn4Cc4ccccc4F)c3)c2cc1OC ZINC000045335396 563131303 /nfs/dbraw/zinc/13/13/03/563131303.db2.gz BGPAOLWXDIRXEH-UHFFFAOYSA-N 1 0 428.467 5.533 1 0 IKAFRO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)s3)cc2)C1 ZINC000045335342 563131313 /nfs/dbraw/zinc/13/13/13/563131313.db2.gz ZTBJTWFEVISZIS-HXUWFJFHSA-N 1 0 448.567 5.150 1 0 IKAFRO COCC[NH2+]Cc1cccc(-c2ccc3c(c2)nccc3Nc2ccc(F)cc2Cl)c1 ZINC000045336531 563131517 /nfs/dbraw/zinc/13/15/17/563131517.db2.gz HKRBFNPYRDNJSQ-UHFFFAOYSA-N 1 0 435.930 6.174 1 0 IKAFRO O=C(Nc1ccc(OC2CC[NH+](Cc3ccc(F)cc3)CC2)c(Cl)c1)c1ccco1 ZINC000045338109 563131671 /nfs/dbraw/zinc/13/16/71/563131671.db2.gz OBIZBFYOEWCUKU-UHFFFAOYSA-N 1 0 428.891 5.368 1 0 IKAFRO NC(=[NH2+])c1cc2c(cccc2O[C@H](c2nc(-c3ccccc3)no2)c2ccccc2)s1 ZINC000045355260 563132501 /nfs/dbraw/zinc/13/25/01/563132501.db2.gz QUNDYCNUUZNGBN-NRFANRHFSA-N 1 0 426.501 5.404 1 0 IKAFRO C[NH+](C)CCCOc1ccc(-c2nc3ccc(F)cc3c3c2-c2ccc(O)cc2C3=O)cc1 ZINC000045355633 563132609 /nfs/dbraw/zinc/13/26/09/563132609.db2.gz CGZWOLSAFSPSCO-UHFFFAOYSA-N 1 0 442.490 5.288 1 0 IKAFRO CC[C@H]1CCC[N@@H+]1CN1C(=O)c2cccc3c4sc(-c5ccccc5)nc4cc(c32)C1=O ZINC000045496120 563134405 /nfs/dbraw/zinc/13/44/05/563134405.db2.gz FDDSLXCCTPEFEX-KRWDZBQOSA-N 1 0 441.556 5.544 1 0 IKAFRO O=C1NC(=O)C(=CNc2ccc(C[NH+]3CCCCC3)cc2)c2cc(-c3ccsc3)ccc21 ZINC000045497297 563134513 /nfs/dbraw/zinc/13/45/13/563134513.db2.gz HXANTJZDCQFNKD-IWIPYMOSSA-N 1 0 443.572 5.124 1 0 IKAFRO O=C(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccccc1C1CCCCC1 ZINC000049034976 563136190 /nfs/dbraw/zinc/13/61/90/563136190.db2.gz SKDPANZPMURFFE-MHZLTWQESA-N 1 0 443.591 5.247 1 0 IKAFRO C[C@@H](OC[C@H](O)C[NH2+]C(C)(C)Cc1ccc2ccccc2c1)c1ccc2ccccc2c1 ZINC000049035468 563136290 /nfs/dbraw/zinc/13/62/90/563136290.db2.gz LIIVBMIXDMCLCY-LYZGTLIUSA-N 1 0 427.588 6.042 1 0 IKAFRO Cc1c(-c2ccc(Cl)cc2)noc1-c1ccc2cc(CC[N@H+]3CCC[C@H]3C)ccc2n1 ZINC000049047622 563136677 /nfs/dbraw/zinc/13/66/77/563136677.db2.gz PBKPCQGTLBWXBQ-QGZVFWFLSA-N 1 0 431.967 6.545 1 0 IKAFRO C[NH+](C)CCOc1ccc([C@@H]2Oc3cc(O)ccc3C3=C2c2ccccc2OCC3)cc1 ZINC000049049098 563136743 /nfs/dbraw/zinc/13/67/43/563136743.db2.gz WPJLHHRTPCVRPU-MHZLTWQESA-N 1 0 429.516 5.160 1 0 IKAFRO COc1ccccc1OCC[NH2+]C[C@H]1CSC(c2ccccc2)(c2ccccc2)S1 ZINC000049053557 563137047 /nfs/dbraw/zinc/13/70/47/563137047.db2.gz FGBDGNKVRNLYDB-QFIPXVFZSA-N 1 0 437.630 5.414 1 0 IKAFRO C[NH+](C)CCOc1ccc([C@H]2Oc3ccccc3C3=C2c2ccc(O)cc2OCC3)cc1 ZINC000049114760 563138684 /nfs/dbraw/zinc/13/86/84/563138684.db2.gz OWFHDXINKUZAPM-HHHXNRCGSA-N 1 0 429.516 5.160 1 0 IKAFRO C[C@@H]([C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@@H]1CC[C@@H](C)C[N@@H+]1C ZINC000049881835 563140595 /nfs/dbraw/zinc/14/05/95/563140595.db2.gz HEOBUSMYCWXIQQ-OXZWOSNHSA-N 1 0 429.689 5.552 1 0 IKAFRO Cc1cc(-c2nn(-c3ccccc3F)cc2CN2CCN(c3cc[nH+]cc3)CC2)c(C)s1 ZINC000055211604 563142430 /nfs/dbraw/zinc/14/24/30/563142430.db2.gz CCQZQMGCZLOFGM-UHFFFAOYSA-N 1 0 447.583 5.074 3 0 IKAFRO COc1cc(N[C@H](C)CCC[NH3+])c2nccc(C)c2c1OCc1ccc(C(F)(F)F)cc1 ZINC000058540755 563144202 /nfs/dbraw/zinc/14/42/02/563144202.db2.gz CCIGGLFLSUOPFK-MRXNPFEDSA-N 1 0 447.501 5.689 1 0 IKAFRO C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(-c3ccc(Cl)c(Cl)c3)ccc21 ZINC000058540818 563144250 /nfs/dbraw/zinc/14/42/50/563144250.db2.gz QYLDPHCXTPAKIU-VWLOTQADSA-N 1 0 444.377 6.915 1 0 IKAFRO O=C(/C=C/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000058576587 563144978 /nfs/dbraw/zinc/14/49/78/563144978.db2.gz OVPPARVKZVMJMM-IXUZLCAHSA-N 1 0 449.466 6.504 1 0 IKAFRO O=S(=O)(c1cccc2ccccc21)n1ccc2ccc([C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc21 ZINC000058600047 563145682 /nfs/dbraw/zinc/14/56/82/563145682.db2.gz CYKJYRMLQDBGCW-PKTZIBPZSA-N 1 0 430.573 5.373 1 0 IKAFRO O=c1cc(-c2cc3ccccc3s2)ccn1-c1ccc2c(cnn2CC[NH+]2CCCC2)c1 ZINC000059081588 563146143 /nfs/dbraw/zinc/14/61/43/563146143.db2.gz ZONNCULPFMBFIR-UHFFFAOYSA-N 1 0 440.572 5.165 1 0 IKAFRO C[C@@]1(CCCC[NH+]2CCC(c3c[nH]c4cnccc43)CC2)C(=O)Nc2cccc(Cl)c21 ZINC000059696269 563146631 /nfs/dbraw/zinc/14/66/31/563146631.db2.gz FANVJTHERLEFBY-VWLOTQADSA-N 1 0 436.987 5.476 1 0 IKAFRO O=C(CCC[NH+]1CCC2(CC1)c1ccccc1Oc1ccccc1C2=O)c1ccc(F)cc1 ZINC000060051733 563146951 /nfs/dbraw/zinc/14/69/51/563146951.db2.gz PIODWFWZYGJTTD-UHFFFAOYSA-N 1 0 443.518 5.811 1 0 IKAFRO [NH3+][C@@H](COCc1ccccc1)c1csc(Nc2ccc(C(=O)c3ccccc3)cc2)n1 ZINC000061896346 563147328 /nfs/dbraw/zinc/14/73/28/563147328.db2.gz CWTZLAMFZDSZCS-QFIPXVFZSA-N 1 0 429.545 5.334 3 0 IKAFRO C[C@@H](NC(=O)C1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1cccc2ccccc21 ZINC000061897584 563147578 /nfs/dbraw/zinc/14/75/78/563147578.db2.gz YSFSGKBBGFAUKW-LJQANCHMSA-N 1 0 436.983 5.461 3 0 IKAFRO [NH3+][C@@H](Cc1ccccc1)c1csc(NC(=O)Nc2ccccc2Oc2ccccc2)n1 ZINC000061904052 563148088 /nfs/dbraw/zinc/14/80/88/563148088.db2.gz DSNAAQFTTVRGED-IBGZPJMESA-N 1 0 430.533 5.822 3 0 IKAFRO COc1ccc(C[N@@H+]2C[C@H]3CON(C)[C@H]3C[C@H]2c2ccc(-c3cccc(F)c3)cc2)cc1 ZINC000061924030 563149667 /nfs/dbraw/zinc/14/96/67/563149667.db2.gz UYZPJLOZWDRLPZ-YGPDHOBYSA-N 1 0 432.539 5.310 3 0 IKAFRO CCCCCC[N@@H+]1C[C@@H](O)[C@H](n2cc(-c3ccc(F)cc3)nn2)C[C@@H]1c1ccc(C)cc1 ZINC000061923964 563149677 /nfs/dbraw/zinc/14/96/77/563149677.db2.gz NLUWSXLDLFCXDE-TWJOJJKGSA-N 1 0 436.575 5.322 3 0 IKAFRO COc1ccc(C[C@@H]([NH3+])c2csc(Nc3ccc(C(=O)c4ccccc4)cc3)n2)cc1 ZINC000061927499 563150187 /nfs/dbraw/zinc/15/01/87/563150187.db2.gz QZJFSNCMOFRCRL-JOCHJYFZSA-N 1 0 429.545 5.369 3 0 IKAFRO C[C@]1(Oc2cnc(Cl)c3ccccc23)CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000061928288 563150376 /nfs/dbraw/zinc/15/03/76/563150376.db2.gz WVQCRCMIKQLUBN-NRFANRHFSA-N 1 0 436.861 5.830 3 0 IKAFRO COc1cccc(-c2sc3ccccc3c2-c2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000061947944 563151543 /nfs/dbraw/zinc/15/15/43/563151543.db2.gz SHFSMMIREYPMIZ-UHFFFAOYSA-N 1 0 429.585 6.719 3 0 IKAFRO COc1cccc(OC)c1SCC[NH2+]CCOc1ccccc1OCc1ccccc1 ZINC000064245713 563152426 /nfs/dbraw/zinc/15/24/26/563152426.db2.gz IHLSYSUPBGFXLU-UHFFFAOYSA-N 1 0 439.577 5.044 1 0 IKAFRO Oc1ccc(-c2nc3ccc(O)cc3n2Cc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000064245782 563152483 /nfs/dbraw/zinc/15/24/83/563152483.db2.gz DSCDJOBPZLMFKK-UHFFFAOYSA-N 1 0 443.547 5.028 1 0 IKAFRO CC1(C)CN(C(=O)c2c3ccccc3n(-c3ccccc3)c2Oc2ccccc2)CC[NH2+]1 ZINC000064513340 563154250 /nfs/dbraw/zinc/15/42/50/563154250.db2.gz WYVWWKFTKSWUPN-UHFFFAOYSA-N 1 0 425.532 5.247 1 0 IKAFRO Oc1ccc2nc(-c3ccsc3)c(C[NH2+]CCc3ccc(Br)cc3)cc2c1 ZINC000064548730 563155535 /nfs/dbraw/zinc/15/55/35/563155535.db2.gz SBOYUHNUCGIHSQ-UHFFFAOYSA-N 1 0 439.378 5.764 1 0 IKAFRO O[C@@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2)CCc2cc(OCc3ccccc3)ccc21 ZINC000064559939 563156213 /nfs/dbraw/zinc/15/62/13/563156213.db2.gz FYYPECHDWYQIST-SSEXGKCCSA-N 1 0 435.567 6.024 1 0 IKAFRO CC1=C2C[C@H]3[C@@H](CC[C@@H]4Cc5n[nH]cc5C[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)C[NH2+][C@@H]1[C@H]2C ZINC000064564782 563156348 /nfs/dbraw/zinc/15/63/48/563156348.db2.gz CJGYNKHTIHLQLI-LQLPPFPGSA-N 1 0 449.683 5.449 1 0 IKAFRO COc1cc(C)c2c(n1)c(N[C@H](C)CCC[NH3+])cc(OC)c2-c1cccc(C(F)(F)F)c1 ZINC000066156543 563159592 /nfs/dbraw/zinc/15/95/92/563159592.db2.gz VKIVVYWMHSEPGB-OAHLLOKOSA-N 1 0 447.501 5.786 1 0 IKAFRO c1ccc(CNc2nc3cc4c(cc3s2)C[C@@H]2[C@@H]3CCCC[C@]43CC[N@@H+]2CC2CC2)cc1 ZINC000071315849 563161881 /nfs/dbraw/zinc/16/18/81/563161881.db2.gz AWCPMZHAUCJKHX-UTOLSJPLSA-N 1 0 443.660 6.377 1 0 IKAFRO CC(=O)Nc1cccc(C2CC[NH+](CCn3c4ccccc4nc3-c3ccccc3)CC2)c1 ZINC000071316357 563161969 /nfs/dbraw/zinc/16/19/69/563161969.db2.gz FFJJZSXJVKXPEM-UHFFFAOYSA-N 1 0 438.575 5.541 1 0 IKAFRO CC[NH+]1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4ccc(F)cc4)c3c2)CC1 ZINC000071318808 563162131 /nfs/dbraw/zinc/16/21/31/563162131.db2.gz IDZBOTHMTANNKW-UHFFFAOYSA-N 1 0 432.465 5.147 1 0 IKAFRO CCCOc1ccc2c(c1)oc1c2C(=O)c2ccc(OCC[NH+](CC)CC)cc2C1(C)C ZINC000071334116 563162551 /nfs/dbraw/zinc/16/25/51/563162551.db2.gz OIWFCYOSHRQTLV-UHFFFAOYSA-N 1 0 435.564 5.813 1 0 IKAFRO Fc1ccc(N2CCC([NH2+][C@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)cc1Cl ZINC000072103749 563162885 /nfs/dbraw/zinc/16/28/85/563162885.db2.gz OKJSCJFYUVMSEW-HSZRJFAPSA-N 1 0 448.344 6.015 1 0 IKAFRO CCCc1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)CC[C@H](C[NH+](C)C)C4)cc2)cc1 ZINC000072113156 563163557 /nfs/dbraw/zinc/16/35/57/563163557.db2.gz GLGPWCKZXKIUPZ-QFIPXVFZSA-N 1 0 426.604 6.225 1 0 IKAFRO C[N@H+](Cc1ccc(Cl)cc1)Cc1cccc(CNc2ccnc3cc(Cl)ccc32)c1 ZINC000072119963 563163792 /nfs/dbraw/zinc/16/37/92/563163792.db2.gz MKYWAKVWSOIUCP-UHFFFAOYSA-N 1 0 436.386 6.786 1 0 IKAFRO Fc1cc(Cl)ccc1[C@@H]([NH2+]C1CCN(c2ccc(Cl)cc2)CC1)c1cccnc1 ZINC000072141211 563164588 /nfs/dbraw/zinc/16/45/88/563164588.db2.gz FPSXDXTVYXQEHB-QHCPKHFHSA-N 1 0 430.354 5.876 1 0 IKAFRO CCC(CC)(CNC(=O)C1CC[NH+](CCCCc2ccccc2)CC1)c1ccc(F)cc1 ZINC000072142606 563164775 /nfs/dbraw/zinc/16/47/75/563164775.db2.gz TVNANJBAMLPVSN-UHFFFAOYSA-N 1 0 438.631 5.735 1 0 IKAFRO O[C@@H]1C[N@H+](CC2CCCCC2)[C@H](c2ccccc2)C[C@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000072142526 563164808 /nfs/dbraw/zinc/16/48/08/563164808.db2.gz NVLOOEBBXPYQSB-JIMJEQGWSA-N 1 0 434.559 5.014 1 0 IKAFRO O[C@@H](C[NH2+]CCNc1ccccc1)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000072180497 563166949 /nfs/dbraw/zinc/16/69/49/563166949.db2.gz WZUAFJLQIZBGCG-KRWDZBQOSA-N 1 0 443.391 5.008 1 0 IKAFRO FC(F)(F)c1ccc([C@H](c2cccnc2)[NH+]2CCC(Oc3ccccc3Cl)CC2)cc1 ZINC000072185692 563168105 /nfs/dbraw/zinc/16/81/05/563168105.db2.gz PMTDGYFTZYPQQK-HSZRJFAPSA-N 1 0 446.900 6.387 1 0 IKAFRO Fc1cccc(F)c1N1CCC([NH2+][C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072185775 563168107 /nfs/dbraw/zinc/16/81/07/563168107.db2.gz FQXVWMOFTODYHH-JOCHJYFZSA-N 1 0 447.451 5.727 1 0 IKAFRO FC(F)(F)c1ccc([C@@H](c2cccnc2)[NH+]2CCC(Oc3ccccc3Cl)CC2)cc1 ZINC000072185691 563168109 /nfs/dbraw/zinc/16/81/09/563168109.db2.gz PMTDGYFTZYPQQK-QHCPKHFHSA-N 1 0 446.900 6.387 1 0 IKAFRO FC(F)(F)c1ccc(N2CCC([NH2+][C@@H](c3ccc(Cl)cc3)c3cccnc3)CC2)cc1 ZINC000072185952 563168181 /nfs/dbraw/zinc/16/81/81/563168181.db2.gz NCYSELBGNKFHAG-QHCPKHFHSA-N 1 0 445.916 6.102 1 0 IKAFRO FC(F)(F)Sc1ccc2c(c1)C(=C1CC[NH+](CC3CC3)CC1)c1ccccc1C=C2 ZINC000072283658 563168383 /nfs/dbraw/zinc/16/83/83/563168383.db2.gz GCRUXZKMBCLCMN-UHFFFAOYSA-N 1 0 427.535 7.090 1 0 IKAFRO C[C@H]1c2c3cc(C(F)(F)F)ccc3[nH]c2C[C@H]2CC[N@@H+](CCCCC3CCOCC3)C[C@H]12 ZINC000073141980 563169052 /nfs/dbraw/zinc/16/90/52/563169052.db2.gz ZMARPWJFINEXBX-SFGWALBWSA-N 1 0 448.573 6.381 1 0 IKAFRO CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@@H]1CC[NH2+]C[C@H]1c1ccccc1 ZINC000073274670 563171564 /nfs/dbraw/zinc/17/15/64/563171564.db2.gz GKSQDEZTFBLUHC-MOPGFXCFSA-N 1 0 444.419 5.076 1 0 IKAFRO CC(C)[C@@H](O)c1cccc(-c2cnc3nc(N4CCC([NH+]5CCCCC5)CC4)oc3c2)c1 ZINC000073294322 563172002 /nfs/dbraw/zinc/17/20/02/563172002.db2.gz JWLAXWHEGORTMK-XMMPIXPASA-N 1 0 434.584 5.034 1 0 IKAFRO Oc1ccc2c(c1)[C@]13CC[N@H+](Cc4ccccc4)[C@H](C2)[C@@H]1Cc1cc2ccccc2nc1C3 ZINC000082150477 563173070 /nfs/dbraw/zinc/17/30/70/563173070.db2.gz RRSGRTDKSYKZRP-NPBSGPTKSA-N 1 0 432.567 5.424 1 0 IKAFRO COc1cc(N[C@@H](C)CCC[NH3+])c2nccc(C)c2c1Oc1cccc(Br)c1 ZINC000082157070 563173780 /nfs/dbraw/zinc/17/37/80/563173780.db2.gz MHWMMARRJHYDIB-HNNXBMFYSA-N 1 0 444.373 5.646 1 0 IKAFRO O=C(N[C@H]1CC[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]21)C(C1CCCCC1)C1CCCCC1 ZINC000084652303 563174887 /nfs/dbraw/zinc/17/48/87/563174887.db2.gz HNEDCQXLKCTODF-DMDYGQEQSA-N 1 0 440.647 5.929 1 0 IKAFRO O=C(Nc1ccc2cc(C[NH+]3CCCC3)cnc2c1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000084670700 563175266 /nfs/dbraw/zinc/17/52/66/563175266.db2.gz KLPGSSBKQHEWRL-UHFFFAOYSA-N 1 0 425.507 5.889 1 0 IKAFRO COc1cccc(-c2cc(OC[C@@H]3CCC[NH2+]3)cnc2-c2cccc(C(F)(F)F)c2)c1 ZINC000084690675 563176427 /nfs/dbraw/zinc/17/64/27/563176427.db2.gz ZFWUNHXMGMYBCK-IBGZPJMESA-N 1 0 428.454 5.574 1 0 IKAFRO Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc(C(C)(C)[NH+]3CCCC3)cnc21 ZINC000084705172 563176708 /nfs/dbraw/zinc/17/67/08/563176708.db2.gz TVRAIZHTLABDDY-UHFFFAOYSA-N 1 0 443.591 5.915 1 0 IKAFRO Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc([C@H](C)[NH+]3CCCCC3)cnc21 ZINC000084705135 563176709 /nfs/dbraw/zinc/17/67/09/563176709.db2.gz RJUBOKLKRKNIFB-FQEVSTJZSA-N 1 0 443.591 6.131 1 0 IKAFRO Cc1c(NC(=O)c2ccc(OCCC3CC3)cc2)ccc2cc(C[NH+]3CCCC3)cnc21 ZINC000084705005 563176721 /nfs/dbraw/zinc/17/67/21/563176721.db2.gz GNOUTRNRKMHDGH-UHFFFAOYSA-N 1 0 429.564 5.570 1 0 IKAFRO Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc([C@@H](C)[NH+]3CCCC3)cnc21 ZINC000084705128 563176729 /nfs/dbraw/zinc/17/67/29/563176729.db2.gz DFWKNBVJNXPUBW-LJQANCHMSA-N 1 0 429.564 5.741 1 0 in-vitro IKAFRO Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc(C[N@H+]3CCC[C@H]3C)cnc21 ZINC000084729829 563178459 /nfs/dbraw/zinc/17/84/59/563178459.db2.gz AQKXMQBBHLZKDC-GOSISDBHSA-N 1 0 429.564 5.569 1 0 IKAFRO COc1cc2ccc(OCc3ccc(C(F)(F)F)cc3)nc2c(N[C@H](C)CCC[NH3+])c1 ZINC000084733305 563178764 /nfs/dbraw/zinc/17/87/64/563178764.db2.gz CDYXILFIOOEOSW-OAHLLOKOSA-N 1 0 433.474 5.381 1 0 IKAFRO Cc1ccc(C2CCN(C(=O)Nc3ccc4cc(C[NH+]5CCCC5)cnc4c3)CC2)cc1 ZINC000084758908 563179785 /nfs/dbraw/zinc/17/97/85/563179785.db2.gz QJMPLSWRBDLBFO-UHFFFAOYSA-N 1 0 428.580 5.551 1 0 IKAFRO O=c1[nH]c2ccc(OCCCC[NH+]3CCC(c4cccc(Cl)c4Cl)CC3)cc2[nH]1 ZINC000095553126 563181023 /nfs/dbraw/zinc/18/10/23/563181023.db2.gz JEZQFKLGYQTDDK-UHFFFAOYSA-N 1 0 434.367 5.202 1 0 IKAFRO CN1CC[NH+](CCCc2ccc([C@H](c3ccccc3)C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000095562201 563182596 /nfs/dbraw/zinc/18/25/96/563182596.db2.gz DOUDDYLEUDBZLJ-ONWBCECJSA-N 1 0 442.691 6.215 1 0 IKAFRO C[n+]1c(CCCOc2cccc(Cl)c2)cccc1CCCOc1cccc(Cl)c1 ZINC000095583740 563188399 /nfs/dbraw/zinc/18/83/99/563188399.db2.gz QFFKVCQMDMVJGD-UHFFFAOYSA-N 1 0 431.383 5.841 1 0 IKAFRO C[NH+]1CCC(COCc2cc(C(F)(F)F)cc(C3CC3)n2)(c2ccc(Cl)cc2)CC1 ZINC000095589131 563189560 /nfs/dbraw/zinc/18/95/60/563189560.db2.gz MPSBRZBCWQGWFI-UHFFFAOYSA-N 1 0 438.921 5.811 1 0 IKAFRO COc1ccc2c(c1)nc(-c1ccc3ccccc3c1)n2-c1cc[nH+]c(NC2CCCCC2)c1 ZINC000095591064 563190182 /nfs/dbraw/zinc/19/01/82/563190182.db2.gz FYJJXSXICFMGQY-UHFFFAOYSA-N 1 0 448.570 6.994 1 0 IKAFRO Oc1ccc2c(c1)nc(-c1ccc3ccccc3c1)n2-c1cc[nH+]c(NC2CCOCC2)c1 ZINC000095591552 563190276 /nfs/dbraw/zinc/19/02/76/563190276.db2.gz KVGMNWJSHWIYDZ-UHFFFAOYSA-N 1 0 436.515 5.537 1 0 IKAFRO O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H]([NH2+]C1CCCCCC1)C2 ZINC000095594363 563191022 /nfs/dbraw/zinc/19/10/22/563191022.db2.gz ZYQVKVVQGPZOLB-MEKIYTOJSA-N 1 0 449.561 5.246 1 0 IKAFRO CCCCC[NH+](CCCCC)CC(=O)Nc1nc2ccc(Br)cc2s1 ZINC000095595206 563191294 /nfs/dbraw/zinc/19/12/94/563191294.db2.gz IIVOPCBIMKTOOD-UHFFFAOYSA-N 1 0 426.424 5.680 1 0 IKAFRO CC[NH+](CC)CCOc1cc(OC)cc2c1[C@H](c1ccccc1)[C@@H](c1ccccc1)C2(C)C ZINC000095605873 563194132 /nfs/dbraw/zinc/19/41/32/563194132.db2.gz QPKUFABVCIMKTI-LMSSTIIKSA-N 1 0 443.631 6.623 1 0 IKAFRO Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N@@H+](CCc3ccccc3)[C@H]1N2C ZINC000095616227 563194268 /nfs/dbraw/zinc/19/42/68/563194268.db2.gz XVAIKIDWWWIJHZ-IAPPQJPRSA-N 1 0 441.575 5.588 1 0 IKAFRO CN(C(=O)c1ccc(OCC2CC2)cc1)[C@@H]1Cc2ccc(C[NH+]3CCCCCC3)cc2C1 ZINC000096174219 563196095 /nfs/dbraw/zinc/19/60/95/563196095.db2.gz QEKLPWGZAZVHNF-AREMUKBSSA-N 1 0 432.608 5.091 1 0 IKAFRO Cc1c(OCCCCCC[N@H+]2CCCC[C@H]2C)ccc2c(=O)cc(-c3ccccc3)oc12 ZINC000096271272 563196733 /nfs/dbraw/zinc/19/67/33/563196733.db2.gz DWHIUIXHPDJNKC-OAQYLSRUSA-N 1 0 433.592 6.582 1 0 IKAFRO OC[C@H]1CCC[N@@H+]1CCc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000096273978 563196921 /nfs/dbraw/zinc/19/69/21/563196921.db2.gz RTFDXMCUMYSUSC-XMMPIXPASA-N 1 0 429.589 5.706 1 0 IKAFRO C[NH+]1CCN(c2ccc(-c3cnc4c(-c5csc6ccccc56)cnn4c3)cc2)CC1 ZINC000096927002 563198145 /nfs/dbraw/zinc/19/81/45/563198145.db2.gz KLHCLOMLKFTMRO-UHFFFAOYSA-N 1 0 425.561 5.030 1 0 IKAFRO C[n+]1ccc(Nc2ccc(C(=O)Nc3ccc(Nc4ccnc5ccccc54)cc3)cc2)cc1 ZINC000096927676 563198208 /nfs/dbraw/zinc/19/82/08/563198208.db2.gz WZSTVTKJJDVFIG-UHFFFAOYSA-O 1 0 446.534 5.799 1 0 IKAFRO Cc1cc(NC(=O)c2cc(Cl)cc(Cl)c2)ccc1N1CC[C@H]([N@H+]2CCC[C@@H]2C)C1 ZINC000096929244 563198472 /nfs/dbraw/zinc/19/84/72/563198472.db2.gz KHNWVNJDETVWJR-KKSFZXQISA-N 1 0 432.395 5.617 1 0 IKAFRO O=c1ccc2ccc(OCCCC[NH+]3CCC(c4noc5cc(F)ccc54)CC3)cc2o1 ZINC000096929494 563198656 /nfs/dbraw/zinc/19/86/56/563198656.db2.gz DCQJTNUDIGPAPI-UHFFFAOYSA-N 1 0 436.483 5.112 1 0 IKAFRO Fc1ccc(-c2ccc3c(c2)n(CCC[NH+]2CCCCC2)cc/c3=N\c2ccccc2)cc1 ZINC000096932533 563198887 /nfs/dbraw/zinc/19/88/87/563198887.db2.gz LZEOGCUUDBCMDS-CCFHIKDMSA-N 1 0 439.578 6.556 1 0 IKAFRO Clc1ccc(-c2nc(SCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)n[nH]2)cc1 ZINC000096934122 563199208 /nfs/dbraw/zinc/19/92/08/563199208.db2.gz AMISXROOXDYJRQ-UHFFFAOYSA-N 1 0 448.423 5.083 1 0 IKAFRO Nc1cccc(OCc2ccc(-c3ccc(C[n+]4ccc(N5CCCC5)cc4)cc3)cc2)c1 ZINC000096938853 563199928 /nfs/dbraw/zinc/19/99/28/563199928.db2.gz XEDXMNZYFSEHQJ-UHFFFAOYSA-N 1 0 436.579 5.451 1 0 IKAFRO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000096938972 563199935 /nfs/dbraw/zinc/19/99/35/563199935.db2.gz JGFPGAUUMQEXII-UHFFFAOYSA-N 1 0 444.529 5.448 1 0 IKAFRO Clc1ccccc1CSc1cc2ccccc2[n+](CCCCCC2CCCCC2)c1 ZINC000096939321 563199964 /nfs/dbraw/zinc/19/99/64/563199964.db2.gz PMRFAMJBMCIPDX-UHFFFAOYSA-N 1 0 439.088 8.214 1 0 IKAFRO CC(C)[NH+](C[C@@H](O)COc1ccc(C(=O)CCc2cccc3ccccc32)cc1)C(C)C ZINC000096941826 563200357 /nfs/dbraw/zinc/20/03/57/563200357.db2.gz CJGIZXKNHCHULR-RUZDIDTESA-N 1 0 433.592 5.514 1 0 IKAFRO COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(C)n3)O2)[C@@H]2C(C)=CC(C)(C)[NH2+][C@H]2C=C1 ZINC000028823566 581100714 /nfs/dbraw/zinc/10/07/14/581100714.db2.gz UBFYPBCQTPHSMF-JRQRZOSUSA-N 1 0 428.532 5.174 1 0 IKAFRO