smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nnn[n-]3)cc1)C(=O)CCCC2 ZINC000001541989 562922645 /nfs/dbraw/zinc/92/26/45/562922645.db2.gz ARZUEYHMVSFSTN-UHFFFAOYSA-N -1 3 440.551 5.030 1 0 IKAFHM CCCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nn[n-]n3)cc1)C(=O)CCCC2 ZINC000001541989 562922646 /nfs/dbraw/zinc/92/26/46/562922646.db2.gz ARZUEYHMVSFSTN-UHFFFAOYSA-N -1 3 440.551 5.030 1 0 IKAFHM CCCCc1ncc(C=C(Cc2cccs2)c2nnn[n-]2)n1Cc1ccccc1Cl ZINC000003792238 562937976 /nfs/dbraw/zinc/93/79/76/562937976.db2.gz MAZDSKSJGJGTSK-SFQUDFHCSA-N -1 3 438.988 5.285 1 0 IKAFHM CCCCc1ncc(C=C(Cc2cccs2)c2nn[n-]n2)n1Cc1ccccc1Cl ZINC000003792238 562937977 /nfs/dbraw/zinc/93/79/77/562937977.db2.gz MAZDSKSJGJGTSK-SFQUDFHCSA-N -1 3 438.988 5.285 1 0 IKAFHM Cc1cc(C)c2nc(C3CC3)n([C@@H]3CCc4cc(-c5ccccc5-c5nnn[n-]5)ccc43)c2n1 ZINC000003808219 562938376 /nfs/dbraw/zinc/93/83/76/562938376.db2.gz KVHCBGFGXVLDGD-HSZRJFAPSA-N -1 3 447.546 5.308 1 0 IKAFHM Cc1cc(C)c2nc(C3CC3)n([C@@H]3CCc4cc(-c5ccccc5-c5nn[n-]n5)ccc43)c2n1 ZINC000003808219 562938377 /nfs/dbraw/zinc/93/83/77/562938377.db2.gz KVHCBGFGXVLDGD-HSZRJFAPSA-N -1 3 447.546 5.308 1 0 IKAFHM CC(C)=CCOc1cc2c3c(c(C(C)=O)c(O)c2c([O-])c1CC=C(C)C)OC(C)(C)C=C3 ZINC000013308075 562985707 /nfs/dbraw/zinc/98/57/07/562985707.db2.gz ILDBGZHKNVSTSA-UHFFFAOYSA-N -1 3 436.548 6.492 1 0 IKAFHM COc1c(O)c(CC=C(C)C)c(CC=C(C)C)c2c1Oc1cc([O-])cc(O)c1C(=O)O2 ZINC000013374248 562985878 /nfs/dbraw/zinc/98/58/78/562985878.db2.gz KGIATYCAIYWYED-UHFFFAOYSA-N -1 3 426.465 5.154 1 0 endogenous,in-man IKAFHM COc1cc([N-]c2nc3ccc(C(=O)Nc4c(C)cccc4Cl)cc3s2)ncn1 ZINC000013536633 562992452 /nfs/dbraw/zinc/99/24/52/562992452.db2.gz XZPAQTIEKMWUQB-UHFFFAOYSA-N -1 3 425.901 5.053 1 0 IKAFHM CCc1cc(OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c2c(n1)CCCCC2 ZINC000013826905 563010603 /nfs/dbraw/zinc/01/06/03/563010603.db2.gz QEPKKBADCQMSFB-UHFFFAOYSA-N -1 3 425.536 5.339 1 0 IKAFHM CCc1cc(OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c2c(n1)CCCCC2 ZINC000013826905 563010604 /nfs/dbraw/zinc/01/06/04/563010604.db2.gz QEPKKBADCQMSFB-UHFFFAOYSA-N -1 3 425.536 5.339 1 0 IKAFHM COc1ccc2cc1Oc1ccc(cc1)CCc1ccc(c([O-])c1)Oc1cccc(c1)CC2 ZINC000014613072 563014617 /nfs/dbraw/zinc/01/46/17/563014617.db2.gz ACTNIVURBGOQCE-UHFFFAOYSA-N -1 3 438.523 6.869 1 0 IKAFHM CC(C)(C)c1ccc([N-]c2nnc(-c3cc4ccccc4nc3CCc3ccncc3)o2)cc1 ZINC000014946588 563015363 /nfs/dbraw/zinc/01/53/63/563015363.db2.gz SEUSNLQOSNVICG-UHFFFAOYSA-N -1 3 449.558 6.506 1 0 IKAFHM COc1c(O)cc2c(c1CC=C(C)C)OC(=O)c1c(O)c(CC=C(C)C)c([O-])cc1O2 ZINC000015252127 563017808 /nfs/dbraw/zinc/01/78/08/563017808.db2.gz JPVHNMSADPDREY-UHFFFAOYSA-N -1 3 426.465 5.154 1 0 IKAFHM CC[C@@H](c1ccc([O-])c(Br)c1)[C@@H](CC)c1ccc(O)c(Br)c1 ZINC000025965068 563027673 /nfs/dbraw/zinc/02/76/73/563027673.db2.gz NXTVRZYDIKGZQK-KBPBESRZSA-N -1 3 428.164 6.310 1 0 IKAFHM CO[N-]C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000026579527 563034101 /nfs/dbraw/zinc/03/41/01/563034101.db2.gz LANGMCAKWHZIPW-UHFFFAOYSA-N -1 3 444.240 5.085 1 0 IKAFHM O=c1oc2cc([O-])ccc2c(-c2ccc(OCCN3CCCCC3)cc2)c1-c1ccccc1 ZINC000027088851 563039184 /nfs/dbraw/zinc/03/91/84/563039184.db2.gz ZKROPOZVVXSGFR-UHFFFAOYSA-N -1 3 441.527 5.697 1 0 IKAFHM C[C@H]1C(=O)c2c(=O)c3cc(Cl)ccc3[n-]c2C[C@H]1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000027100687 563039669 /nfs/dbraw/zinc/03/96/69/563039669.db2.gz GLVDIYUPUBKYMC-BXKDBHETSA-N -1 3 440.248 6.012 1 0 IKAFHM O=C1c2c(cc(OCc3ccc(-c4nnn[n-]4)cc3)c(Cl)c2Cl)C[C@H]1C1CCCC1 ZINC000028334714 563052652 /nfs/dbraw/zinc/05/26/52/563052652.db2.gz XUGRGRMGJJYIJM-INIZCTEOSA-N -1 3 443.334 5.298 1 0 IKAFHM O=C1c2c(cc(OCc3ccc(-c4nn[n-]n4)cc3)c(Cl)c2Cl)C[C@H]1C1CCCC1 ZINC000028334714 563052654 /nfs/dbraw/zinc/05/26/54/563052654.db2.gz XUGRGRMGJJYIJM-INIZCTEOSA-N -1 3 443.334 5.298 1 0 IKAFHM CC(C)(C)Sc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1[O-] ZINC000028371324 563053884 /nfs/dbraw/zinc/05/38/84/563053884.db2.gz FEACQHXFELQKNU-UHFFFAOYSA-N -1 3 427.875 6.464 1 0 IKAFHM CCCc1c2ccn(CC(C)(C)C)c2ccc1OCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000028458845 563054927 /nfs/dbraw/zinc/05/49/27/563054927.db2.gz QKMJZJZVEZUPEA-UHFFFAOYSA-N -1 3 433.556 5.278 1 0 IKAFHM CCCc1c2ccn(CC(C)(C)C)c2ccc1OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000028458845 563054929 /nfs/dbraw/zinc/05/49/29/563054929.db2.gz QKMJZJZVEZUPEA-UHFFFAOYSA-N -1 3 433.556 5.278 1 0 IKAFHM CCCCCc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2cccc([O-])c2)cc1 ZINC000028476144 563055714 /nfs/dbraw/zinc/05/57/14/563055714.db2.gz NKPKMLMRAUJVEM-AREMUKBSSA-N -1 3 442.559 5.331 1 0 IKAFHM CCCCN(CCCC)c1c(Cl)cc(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000028862768 563066926 /nfs/dbraw/zinc/06/69/26/563066926.db2.gz AZIIDWYJBQBFKY-UHFFFAOYSA-N -1 3 429.413 6.201 1 0 IKAFHM COC(=O)c1ccc(NC(=O)/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)c([O-])c1 ZINC000028895977 563068817 /nfs/dbraw/zinc/06/88/17/563068817.db2.gz ZZFVSKKGJZAKLV-MNPWCPBLSA-N -1 3 449.591 6.649 1 0 IKAFHM O=c1cc(-c2cccc(C=Cc3ccc4ccccc4n3)c2)oc2ccc(-c3nnn[n-]3)cc12 ZINC000029221817 563076807 /nfs/dbraw/zinc/07/68/07/563076807.db2.gz KSRLCKGUHAUHCH-DHZHZOJOSA-N -1 3 443.466 5.359 1 0 IKAFHM O=c1cc(-c2cccc(C=Cc3ccc4ccccc4n3)c2)oc2ccc(-c3nn[n-]n3)cc12 ZINC000029221817 563076808 /nfs/dbraw/zinc/07/68/08/563076808.db2.gz KSRLCKGUHAUHCH-DHZHZOJOSA-N -1 3 443.466 5.359 1 0 IKAFHM CCc1cc(OCc2ccc(F)cc2)c(O)cc1OCCCCCC(C)(C)c1nnn[n-]1 ZINC000029408321 563079704 /nfs/dbraw/zinc/07/97/04/563079704.db2.gz XXRGBOJNIBNHHV-UHFFFAOYSA-N -1 3 442.535 5.103 1 0 IKAFHM CCc1cc(OCc2ccc(F)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[n-]n1 ZINC000029408321 563079705 /nfs/dbraw/zinc/07/97/05/563079705.db2.gz XXRGBOJNIBNHHV-UHFFFAOYSA-N -1 3 442.535 5.103 1 0 IKAFHM CCCCCCc1ccnc(N2CCc3cc(S(=O)(=O)[N-]c4ccccc4)ccc32)n1 ZINC000029549266 563081869 /nfs/dbraw/zinc/08/18/69/563081869.db2.gz YNDKGDUUHXQIGS-UHFFFAOYSA-N -1 3 436.581 5.094 1 0 IKAFHM CCCCCCc1cccc(N2CCc3cc(S(=O)(=O)[N-]c4ccccc4)ccc32)c1 ZINC000029553776 563081988 /nfs/dbraw/zinc/08/19/88/563081988.db2.gz QOXWNWQGQNMZLR-UHFFFAOYSA-N -1 3 434.605 6.304 1 0 IKAFHM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1Cl)c1cc(C(F)(F)F)ccc1Cl ZINC000034156647 563085628 /nfs/dbraw/zinc/08/56/28/563085628.db2.gz OVOIWWCVZOAOHT-UHFFFAOYSA-N -1 3 438.176 5.832 1 0 IKAFHM CC(C)(NCc1ccc(Cl)cc1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1[O-] ZINC000036286632 563092564 /nfs/dbraw/zinc/09/25/64/563092564.db2.gz OLLAHMNWYVKZNL-UHFFFAOYSA-N -1 3 436.766 7.170 1 0 IKAFHM CN(C)CCN1CCn2c3cc(C(=O)[O-])ccc3c(C3CCCCC3)c2-c2ccccc21 ZINC000036350477 563093260 /nfs/dbraw/zinc/09/32/60/563093260.db2.gz LQZXCOLAMRQZER-UHFFFAOYSA-N -1 3 431.580 5.436 1 0 IKAFHM CC(C)(C)OC(=O)N(Cc1ccc([O-])c2ncccc12)Cc1ccccc1C(F)(F)F ZINC000040408241 563101534 /nfs/dbraw/zinc/10/15/34/563101534.db2.gz QYDMZJKDLXNFNY-UHFFFAOYSA-N -1 3 432.442 5.897 1 0 IKAFHM CN(C)C[C@@H]1Cn2c3cc(C(=O)[O-])ccc3c(C3CCCCC3)c2-c2ccccc2CN1C ZINC000040411738 563101821 /nfs/dbraw/zinc/10/18/21/563101821.db2.gz JORCHRMBCDTLBP-JOCHJYFZSA-N -1 3 445.607 5.430 1 0 IKAFHM CCc1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCC[C@H]1CC(=O)[O-] ZINC000040939771 563113360 /nfs/dbraw/zinc/11/33/60/563113360.db2.gz JOFLGUSOCJPFHK-LBPRGKRZSA-N -1 3 435.376 6.409 1 0 IKAFHM CCCCCc1cc(O)cc([O-])c1Oc1cc(OC)cc2c1C(=O)O[C@]2(O)CCCC ZINC000043009261 563116346 /nfs/dbraw/zinc/11/63/46/563116346.db2.gz PDZXHKSZUJKQQU-XMMPIXPASA-N -1 3 430.497 5.137 1 0 IKAFHM Cc1ccc(C(=O)Nc2ccc(Nc3ccnc4cc(-c5ccncc5)ccc43)cc2[O-])cc1 ZINC000045195953 563124591 /nfs/dbraw/zinc/12/45/91/563124591.db2.gz RSQWNVAGGHVFHE-UHFFFAOYSA-N -1 3 446.510 6.307 1 0 IKAFHM Clc1cccc(Cl)c1Cc1nnc([N-]c2ccc(COCc3cccnc3)cc2)o1 ZINC000049070611 563137721 /nfs/dbraw/zinc/13/77/21/563137721.db2.gz PLLUSIVCMQGSBA-UHFFFAOYSA-N -1 3 441.318 5.823 1 0 IKAFHM CCOC(=O)N=c1[n-]c(C)c(-c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)s1 ZINC000064475299 563153686 /nfs/dbraw/zinc/15/36/86/563153686.db2.gz XPXJVVOSWOEDEI-UHFFFAOYSA-N -1 3 440.912 5.039 1 0 IKAFHM CO[C@@H]1O[C@H](C)[C@@H](C)c2c(C)c([O-])c3c(c21)Oc1cc(O)c(C)c2c1[C@H]3O[C@H](C)[C@H]2C ZINC000072178522 563166298 /nfs/dbraw/zinc/16/62/98/563166298.db2.gz HRXCZVGVMBEMLM-DHTPKOFLSA-N -1 3 426.509 5.599 1 0 IKAFHM COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C)on4)c3)c2cc1[O-] ZINC000072180939 563167021 /nfs/dbraw/zinc/16/70/21/563167021.db2.gz VNEQWXQWPCTJQW-UHFFFAOYSA-N -1 3 449.467 5.066 1 0 IKAFHM Cc1cc(CN2CC(C(=O)[O-])C2)sc1-c1noc(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000073277265 563171663 /nfs/dbraw/zinc/17/16/63/563171663.db2.gz ZPWZJMODKRVUIQ-UHFFFAOYSA-N -1 3 447.516 5.082 1 0 IKAFHM CCCc1cc(Br)c([O-])c(-c2cc(CCC)cc(Br)c2O)c1 ZINC000073295332 563172057 /nfs/dbraw/zinc/17/20/57/563172057.db2.gz BVRXGXJYPHROHE-UHFFFAOYSA-N -1 3 428.164 6.195 1 0 IKAFHM COc1ccc(C2=NN(C(=O)c3cc(OC)ccc3[O-])[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000095576180 563185849 /nfs/dbraw/zinc/18/58/49/563185849.db2.gz CYYYANQLHNMXLF-QFIPXVFZSA-N -1 3 436.895 5.054 1 0 IKAFHM Cc1ccc(C2=C[C@H](c3c4ccccc4[nH]c3-c3ccccc3)c3c(=O)[n-]cnc3O2)cc1 ZINC000095601537 563192864 /nfs/dbraw/zinc/19/28/64/563192864.db2.gz KGYGJYNFDMHNFK-OAQYLSRUSA-N -1 3 431.495 5.792 1 0 IKAFHM Cc1ccc(C2=C[C@@H](c3c4ccccc4[nH]c3-c3ccccc3)c3c(N)nc(=O)[n-]c3O2)cc1 ZINC000095602496 563193208 /nfs/dbraw/zinc/19/32/08/563193208.db2.gz RXRKMCXPGQHDLD-FQEVSTJZSA-N -1 3 446.510 5.374 1 0 IKAFHM CCOC(=O)N=c1[n-]cc(-c2cc(C(F)F)nn2-c2c(Cl)cccc2Cl)s1 ZINC000096941831 563200375 /nfs/dbraw/zinc/20/03/75/563200375.db2.gz WHVMMTXULQMXAD-UHFFFAOYSA-N -1 3 433.267 5.809 1 0 IKAFHM COc1cc(O)ccc1[C@@H]1COc2c(CC=C(C)C)c3c(c([O-])c2C1=O)C=CC(C)(C)O3 ZINC000013374422 291405765 /nfs/dbraw/zinc/40/57/65/291405765.db2.gz UMUDFLULLJLISJ-IBGZPJMESA-N -1 3 436.504 5.158 1 0 biogenic,in-vitro IKAFHM [O-]c1cc(O)cc2c1Oc1cc(O)cc(c1)CCCCCCCCCCCCCCCC2 ZINC000015263900 291411802 /nfs/dbraw/zinc/41/18/02/291411802.db2.gz MBSKKKVQUZYFGT-UHFFFAOYSA-N -1 3 440.624 8.156 1 0 biogenic,in-vitro IKAFHM CC(C)c1ccc([O-])c(Cc2cc(C(C)C)cc(Cc3cc(C(C)C)ccc3O)c2O)c1 ZINC000001624070 562923240 /nfs/dbraw/zinc/92/32/40/562923240.db2.gz YQERQEMYOWRTEC-UHFFFAOYSA-N -1 3 432.604 7.355 1 0 IKAFHM CCCCCCc1cc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c(=N)oc2cc1[O-] ZINC000001658211 562924111 /nfs/dbraw/zinc/92/41/11/562924111.db2.gz LTVWRMGDSCZKEP-UHFFFAOYSA-N -1 3 432.442 6.012 1 0 IKAFHM O=[S@](Cc1cc(OCc2cc(Cl)cc(Cl)c2)ccn1)c1nc2cscc2[n-]1 ZINC000013448765 562987111 /nfs/dbraw/zinc/98/71/11/562987111.db2.gz GOQDQKDXCGYRSR-MHZLTWQESA-N -1 3 438.361 5.213 1 0 IKAFHM O=C1O[C@@](c2ccc(O)cc2)(c2ccc([O-])c(Br)c2)c2cccc3cccc1c32 ZINC000013477126 562989057 /nfs/dbraw/zinc/98/90/57/562989057.db2.gz JBQLTVLEUUGFSH-DEOSSOPVSA-N -1 3 447.284 5.476 1 0 IKAFHM Cc1cccc(Cl)c1NC(=O)c1ccc2nc([N-]c3cc(Cl)ncn3)sc2c1 ZINC000013536630 562992436 /nfs/dbraw/zinc/99/24/36/562992436.db2.gz ONWCJIJBJNGEAY-UHFFFAOYSA-N -1 3 430.320 5.697 1 0 IKAFHM CCCCc1nc2ccc(Cl)cc2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013828034 563010759 /nfs/dbraw/zinc/01/07/59/563010759.db2.gz XNZZGHBVCUYCRO-UHFFFAOYSA-N -1 3 442.954 5.928 1 0 IKAFHM CCCCc1nc2ccc(Cl)cc2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013828034 563010760 /nfs/dbraw/zinc/01/07/60/563010760.db2.gz XNZZGHBVCUYCRO-UHFFFAOYSA-N -1 3 442.954 5.928 1 0 IKAFHM COc1ccc([C@H](c2ccc3cccnc3c2[O-])c2ccc(C(C)C)cc(=O)c2O)cc1 ZINC000017190644 563021510 /nfs/dbraw/zinc/02/15/10/563021510.db2.gz FEMXFSMHWCFXMA-DEOSSOPVSA-N -1 3 427.500 5.318 1 0 IKAFHM CC[C@H](c1ccc([O-])c(Br)c1)[C@H](CC)c1ccc(O)c(Br)c1 ZINC000025965074 563027684 /nfs/dbraw/zinc/02/76/84/563027684.db2.gz NXTVRZYDIKGZQK-ZIAGYGMSSA-N -1 3 428.164 6.310 1 0 IKAFHM CCCC[C@@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(-c4nnn[n-]4)cc3OC)c2c1 ZINC000026488519 563032463 /nfs/dbraw/zinc/03/24/63/563032463.db2.gz RWKLOFLZBJRUIT-QGZVFWFLSA-N -1 3 446.555 5.033 1 0 IKAFHM CCCC[C@@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(-c4nn[n-]n4)cc3OC)c2c1 ZINC000026488519 563032464 /nfs/dbraw/zinc/03/24/64/563032464.db2.gz RWKLOFLZBJRUIT-QGZVFWFLSA-N -1 3 446.555 5.033 1 0 IKAFHM CCOc1ccc2nc(Sc3ccc(NC(=O)c4cccc(C)c4[O-])cc3)sc2c1 ZINC000026505047 563032903 /nfs/dbraw/zinc/03/29/03/563032903.db2.gz GBRSYRCTJQSJHF-UHFFFAOYSA-N -1 3 436.558 6.113 1 0 IKAFHM c1ccc([C@H](CCc2nnn[n-]2)Cc2ccc(OCc3ccc4ccccc4n3)cc2)cc1 ZINC000026672774 563035392 /nfs/dbraw/zinc/03/53/92/563035392.db2.gz IEISNEYLXZRMDU-HSZRJFAPSA-N -1 3 435.531 5.286 1 0 IKAFHM c1ccc([C@H](CCc2nn[n-]n2)Cc2ccc(OCc3ccc4ccccc4n3)cc2)cc1 ZINC000026672774 563035393 /nfs/dbraw/zinc/03/53/93/563035393.db2.gz IEISNEYLXZRMDU-HSZRJFAPSA-N -1 3 435.531 5.286 1 0 IKAFHM c1ccc([C@@H](CCc2nnn[n-]2)Cc2cccc(OCc3ccc4ccccc4n3)c2)cc1 ZINC000026722635 563035726 /nfs/dbraw/zinc/03/57/26/563035726.db2.gz MONJECLHXLONHX-QHCPKHFHSA-N -1 3 435.531 5.286 1 0 IKAFHM c1ccc([C@@H](CCc2nn[n-]n2)Cc2cccc(OCc3ccc4ccccc4n3)c2)cc1 ZINC000026722635 563035728 /nfs/dbraw/zinc/03/57/28/563035728.db2.gz MONJECLHXLONHX-QHCPKHFHSA-N -1 3 435.531 5.286 1 0 IKAFHM O=C1C[C@H](c2ccc(C(F)(F)F)cc2)Cc2[n-]c3c(Cl)cc(Cl)cc3c(=O)c21 ZINC000027085752 563039196 /nfs/dbraw/zinc/03/91/96/563039196.db2.gz KSUUITLIBWHCEY-SNVBAGLBSA-N -1 3 426.221 5.766 1 0 IKAFHM C[C@@H]1C(=O)c2c(=O)c3cc(Cl)ccc3[n-]c2C[C@H]1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000027100690 563039674 /nfs/dbraw/zinc/03/96/74/563039674.db2.gz GLVDIYUPUBKYMC-JOYOIKCWSA-N -1 3 440.248 6.012 1 0 IKAFHM C[C@H]1C(=O)c2c(=O)c3cc(Cl)ccc3[n-]c2C[C@@H]1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000027100677 563039690 /nfs/dbraw/zinc/03/96/90/563039690.db2.gz GLVDIYUPUBKYMC-SKDRFNHKSA-N -1 3 440.248 6.012 1 0 IKAFHM CCCc1nc([C@@H](C)CC)c(C=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027735220 563046312 /nfs/dbraw/zinc/04/63/12/563046312.db2.gz SYCGTSBULQTPHT-KRWDZBQOSA-N -1 3 428.540 5.057 1 0 IKAFHM CCCc1nc([C@@H](C)CC)c(C=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027735220 563046313 /nfs/dbraw/zinc/04/63/13/563046313.db2.gz SYCGTSBULQTPHT-KRWDZBQOSA-N -1 3 428.540 5.057 1 0 IKAFHM CCCc1nc([C@H](C)CC)c(C=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027735228 563046328 /nfs/dbraw/zinc/04/63/28/563046328.db2.gz SYCGTSBULQTPHT-QGZVFWFLSA-N -1 3 428.540 5.057 1 0 IKAFHM CCCc1nc([C@H](C)CC)c(C=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027735228 563046329 /nfs/dbraw/zinc/04/63/29/563046329.db2.gz SYCGTSBULQTPHT-QGZVFWFLSA-N -1 3 428.540 5.057 1 0 IKAFHM CCCc1c(OCCCCCCCCCCCCc2nn[n-]n2)ccc(C(C)=O)c1O ZINC000027743129 563046570 /nfs/dbraw/zinc/04/65/70/563046570.db2.gz JGQAWGJHYGZILZ-UHFFFAOYSA-N -1 3 430.593 5.583 1 0 IKAFHM CCCc1c(OCCCCCCCCCCCCc2nnn[n-]2)ccc(C(C)=O)c1O ZINC000027743129 563046569 /nfs/dbraw/zinc/04/65/69/563046569.db2.gz JGQAWGJHYGZILZ-UHFFFAOYSA-N -1 3 430.593 5.583 1 0 IKAFHM O=C1c2c(cc(OCc3ccc(-c4nnn[n-]4)cc3)c(Cl)c2Cl)C[C@@H]1C1CCCC1 ZINC000028334707 563052630 /nfs/dbraw/zinc/05/26/30/563052630.db2.gz XUGRGRMGJJYIJM-MRXNPFEDSA-N -1 3 443.334 5.298 1 0 IKAFHM O=C1c2c(cc(OCc3ccc(-c4nn[n-]n4)cc3)c(Cl)c2Cl)C[C@@H]1C1CCCC1 ZINC000028334707 563052632 /nfs/dbraw/zinc/05/26/32/563052632.db2.gz XUGRGRMGJJYIJM-MRXNPFEDSA-N -1 3 443.334 5.298 1 0 IKAFHM CCCc1c2ccn(CC3CC3)c2ccc1OCCCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000028461206 563055066 /nfs/dbraw/zinc/05/50/66/563055066.db2.gz PPPHDCOVPFJJHU-UHFFFAOYSA-N -1 3 445.567 5.422 1 0 IKAFHM CCCc1c2ccn(CC3CC3)c2ccc1OCCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000028461206 563055068 /nfs/dbraw/zinc/05/50/68/563055068.db2.gz PPPHDCOVPFJJHU-UHFFFAOYSA-N -1 3 445.567 5.422 1 0 IKAFHM CCCc1c2ccn(CC(C)(C)C)c2ccc1OCCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000028460958 563055092 /nfs/dbraw/zinc/05/50/92/563055092.db2.gz SPZWQXRRNLTPRA-UHFFFAOYSA-N -1 3 447.583 5.668 1 0 IKAFHM CCCc1c2ccn(CC(C)(C)C)c2ccc1OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000028460958 563055094 /nfs/dbraw/zinc/05/50/94/563055094.db2.gz SPZWQXRRNLTPRA-UHFFFAOYSA-N -1 3 447.583 5.668 1 0 IKAFHM CCCc1c2ccn(CCC)c2ccc1OCCCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000028467677 563055399 /nfs/dbraw/zinc/05/53/99/563055399.db2.gz GXKOHQQCSSECNY-UHFFFAOYSA-N -1 3 433.556 5.422 1 0 IKAFHM CCCc1c2ccn(CCC)c2ccc1OCCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000028467677 563055400 /nfs/dbraw/zinc/05/54/00/563055400.db2.gz GXKOHQQCSSECNY-UHFFFAOYSA-N -1 3 433.556 5.422 1 0 IKAFHM Cc1ccc(-c2cccc(-c3nc4cccc(C=C5SC(=S)[N-]C5=O)c4[nH]3)n2)cc1C ZINC000028571334 563059299 /nfs/dbraw/zinc/05/92/99/563059299.db2.gz MBMWPLVXSUECSO-NDENLUEZSA-N -1 3 442.569 6.238 1 0 IKAFHM Oc1ccc(-c2ccc(C=Cc3nnn[n-]3)cc2Cl)cc1C12CC3CC(CC(C3)C1)C2 ZINC000028648316 563061016 /nfs/dbraw/zinc/06/10/16/563061016.db2.gz JVHFNBOPLPACBJ-QHHAFSJGSA-N -1 3 432.955 5.864 1 0 IKAFHM Oc1ccc(-c2ccc(C=Cc3nn[n-]n3)cc2Cl)cc1C12CC3CC(CC(C3)C1)C2 ZINC000028648316 563061018 /nfs/dbraw/zinc/06/10/18/563061018.db2.gz JVHFNBOPLPACBJ-QHHAFSJGSA-N -1 3 432.955 5.864 1 0 IKAFHM CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C(C)=C\C(=O)Nc1cc(Cl)ccc1[O-] ZINC000028895868 563068716 /nfs/dbraw/zinc/06/87/16/563068716.db2.gz BFVTVHJSLQBAAI-HPWKXKAUSA-N -1 3 426.000 7.516 1 0 IKAFHM O=C1[C@@H](O)Cc2c(-c3ccccc3Cl)cc([O-])cc2N1c1c(Cl)cccc1Cl ZINC000029125705 563074504 /nfs/dbraw/zinc/07/45/04/563074504.db2.gz LIMUHDUGJOAAIJ-IBGZPJMESA-N -1 3 434.706 5.601 1 0 IKAFHM Cc1cc(C)c(NC(=O)[N-]c2nc3ccccc3n2-c2c(Cl)cccc2Cl)c(C)c1 ZINC000029486384 563081429 /nfs/dbraw/zinc/08/14/29/563081429.db2.gz SZFFBRJMOHYRTI-UHFFFAOYSA-N -1 3 439.346 6.902 1 0 IKAFHM O=C(NCCCCCCCCCCCCNC(=O)c1ccccc1O)c1ccccc1[O-] ZINC000033895975 563084975 /nfs/dbraw/zinc/08/49/75/563084975.db2.gz VLPUEXPCAHSTEB-UHFFFAOYSA-N -1 3 440.584 5.159 1 0 IKAFHM CN(C(=O)[N-]C(=O)c1c(F)cccc1F)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000034613239 563086472 /nfs/dbraw/zinc/08/64/72/563086472.db2.gz DJHLZEJGIJJKQF-UHFFFAOYSA-N -1 3 445.263 5.381 1 0 IKAFHM C=Cc1cc(CNC(=S)CCc2ccc(C(C)(C)C)cc2)cc(F)c1[N-]S(C)(=O)=O ZINC000036487245 563095616 /nfs/dbraw/zinc/09/56/16/563095616.db2.gz MNCFTWGHUHAMAO-UHFFFAOYSA-N -1 3 448.629 5.188 1 0 IKAFHM Nc1ncc(-c2ccc(OCCCOCc3ccccc3)cc2)c(-c2ccccc2[O-])n1 ZINC000040393281 563100194 /nfs/dbraw/zinc/10/01/94/563100194.db2.gz DYMINTMBMZAMJX-UHFFFAOYSA-N -1 3 427.504 5.084 1 0 IKAFHM COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c([O-])c3)c2cc1OC ZINC000040404224 563101169 /nfs/dbraw/zinc/10/11/69/563101169.db2.gz MPXQJBIEYPHEBG-UHFFFAOYSA-N -1 3 430.489 5.373 1 0 IKAFHM O=C([O-])C[C@@H]1CCn2c3ccnc(C4CC4)c3c(Sc3ccc(Cl)c(Cl)c3)c21 ZINC000040411398 563101773 /nfs/dbraw/zinc/10/17/73/563101773.db2.gz CKSFQUBFLPPBLA-LBPRGKRZSA-N -1 3 433.360 6.334 1 0 IKAFHM O=c1[n-]c(=S)[nH]c(-c2cccc(Br)c2)c1Cc1c(O)ccc2ccccc21 ZINC000040423300 563102612 /nfs/dbraw/zinc/10/26/12/563102612.db2.gz LJNBGDQNOTUDAP-UHFFFAOYSA-N -1 3 439.334 5.724 1 0 IKAFHM CC(C)(C)OC(=O)N(Cc1ccc(C(F)(F)F)cc1)Cc1ccc([O-])c2ncccc12 ZINC000040918521 563111835 /nfs/dbraw/zinc/11/18/35/563111835.db2.gz ALNQTNOVDDQCFS-UHFFFAOYSA-N -1 3 432.442 5.897 1 0 IKAFHM CCCc1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCC[C@@H]1CC(=O)[O-] ZINC000040937243 563112970 /nfs/dbraw/zinc/11/29/70/563112970.db2.gz YXJFHHCBCZJNEC-CYBMUJFWSA-N -1 3 449.403 6.799 1 0 IKAFHM CC(C)c1nccc2c1c(Sc1c(Cl)cccc1Cl)c1n2CC[C@@H]1CC(=O)[O-] ZINC000040939954 563113406 /nfs/dbraw/zinc/11/34/06/563113406.db2.gz MYYRBELEOPTTFG-GFCCVEGCSA-N -1 3 435.376 6.580 1 0 IKAFHM CN(C)C(=O)c1cccc([N-]c2nsnc2N[C@@H](c2cccc(F)c2)C(C)(C)C)c1O ZINC000040951064 563113996 /nfs/dbraw/zinc/11/39/96/563113996.db2.gz WEFKYMFEHYSMKG-SFHVURJKSA-N -1 3 443.548 5.028 1 0 IKAFHM CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2cccc(F)c2)C(C)(C)C)c1[O-] ZINC000040951064 563113997 /nfs/dbraw/zinc/11/39/97/563113997.db2.gz WEFKYMFEHYSMKG-SFHVURJKSA-N -1 3 443.548 5.028 1 0 IKAFHM CCCCCc1cc(O)cc([O-])c1Oc1cc(OC)cc2c1C(=O)O[C@@]2(CCCC)OC ZINC000043010727 563116492 /nfs/dbraw/zinc/11/64/92/563116492.db2.gz SIFVKFNQJLVAOD-RUZDIDTESA-N -1 3 444.524 5.791 1 0 IKAFHM Cc1ccc(C2=NN(c3nc([O-])cs3)[C@H](c3ccc(OCc4ccccc4)cc3)C2)cc1 ZINC000043013107 563116641 /nfs/dbraw/zinc/11/66/41/563116641.db2.gz QOCJGFVGVAIJLM-DEOSSOPVSA-N -1 3 441.556 5.355 1 0 IKAFHM CN(C)CCOc1ccc(-c2cc(-c3ccncc3)c(-c3ccc(Cl)c([O-])c3)o2)cc1 ZINC000045196303 563124619 /nfs/dbraw/zinc/12/46/19/563124619.db2.gz HZPFYQOXKVEQOW-UHFFFAOYSA-N -1 3 434.923 5.975 1 0 IKAFHM CCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc([O-])c(-c3ccc(Cl)c(Cl)c3)c2)C1 ZINC000045227440 563125505 /nfs/dbraw/zinc/12/55/05/563125505.db2.gz WTVYYYDSYOSLJO-KRWDZBQOSA-N -1 3 449.378 5.135 1 0 IKAFHM S=c1[n-]c2c(c(-c3ccccc3)c(-c3ccccc3)n2Cc2ccccc2)c(=S)[nH]1 ZINC000053230068 563141400 /nfs/dbraw/zinc/14/14/00/563141400.db2.gz LGECBIWAGRAFTH-UHFFFAOYSA-N -1 3 425.582 6.765 1 0 IKAFHM O=C(CCc1ccc(-c2ccccc2)cc1)N1CCC[C@H]1C(=O)c1nc2cc(F)ccc2[n-]1 ZINC000064539467 563155109 /nfs/dbraw/zinc/15/51/09/563155109.db2.gz JEXYCCXYPRCTMI-DEOSSOPVSA-N -1 3 441.506 5.176 1 0 IKAFHM O=c1[n-]c(=S)[nH]c(-c2ccc(-c3ccccc3)cc2)c1Cc1c(O)ccc2ccccc21 ZINC000072171889 563165006 /nfs/dbraw/zinc/16/50/06/563165006.db2.gz LWRDNXWZXDRTEE-UHFFFAOYSA-N -1 3 436.536 6.216 1 0 IKAFHM CO[C@@H]1O[C@H](C)[C@@H](C)c2c(C)c3c(c([O-])c21)[C@@H]1O[C@H](C)[C@@H](C)c2c(C)c(O)cc(c21)O3 ZINC000072179524 563166571 /nfs/dbraw/zinc/16/65/71/563166571.db2.gz VSZGJLCADUYDAO-WNDXLXGPSA-N -1 3 426.509 5.599 1 0 IKAFHM [O-]c1ccc([C@H](O)c2nccc3c4cc(Br)ccc4[nH]c32)cc1Br ZINC000084652202 563174885 /nfs/dbraw/zinc/17/48/85/563174885.db2.gz SYELWJGGJBFZFS-SFHVURJKSA-N -1 3 448.114 5.028 1 0 IKAFHM [O-]c1ccc([C@@H](O)c2nccc3c4cc(Br)ccc4[nH]c32)cc1Br ZINC000084652203 563174900 /nfs/dbraw/zinc/17/49/00/563174900.db2.gz SYELWJGGJBFZFS-GOSISDBHSA-N -1 3 448.114 5.028 1 0 IKAFHM CC[C@H](C)c1cc(-c2ccc(OCC(=O)[O-])c([C@@H](C)CC)c2)ccc1OCCN(C)C ZINC000095555353 563181331 /nfs/dbraw/zinc/18/13/31/563181331.db2.gz AAKIKGCJVGKMAI-OALUTQOASA-N -1 3 427.585 5.784 1 0 IKAFHM COc1ccc(C2=NN(C(=O)c3cc(OC)ccc3[O-])[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000095576181 563185923 /nfs/dbraw/zinc/18/59/23/563185923.db2.gz CYYYANQLHNMXLF-JOCHJYFZSA-N -1 3 436.895 5.054 1 0 IKAFHM Cc1ccc2c(c1)-c1cc([C@@H]3COc4cc([O-])c(C)c(O)c4C3=O)c(O)cc1OC2(C)C ZINC000014593512 291410259 /nfs/dbraw/zinc/41/02/59/291410259.db2.gz QONMAWCPDDAMDK-KRWDZBQOSA-N -1 3 432.472 5.074 1 0 biogenic,in-vitro IKAFHM Cc1c([O-])cc2c(c1O)C(=O)[C@@H](c1cc3c(cc1O)OC(C)(C)[C@H]1CCC(C)=C[C@H]31)CO2 ZINC000013437142 560216799 /nfs/dbraw/zinc/21/67/99/560216799.db2.gz ZEHGQRSTISIYCB-OLMNPRSZSA-N -1 3 436.504 5.082 1 0 biogenic,in-vitro IKAFHM CCOC(=O)c1ccc(-c2c(C(F)(F)F)noc2-c2cc(CC)c(OC)cc2[O-])o1 ZINC000001504575 562922415 /nfs/dbraw/zinc/92/24/15/562922415.db2.gz ZGTLPNHHVAMVDS-UHFFFAOYSA-N -1 3 425.359 5.074 1 0 IKAFHM O=C1O[C@](c2ccc(O)cc2)(c2ccc([O-])c(Br)c2)c2cccc3cccc1c32 ZINC000013477128 562989045 /nfs/dbraw/zinc/98/90/45/562989045.db2.gz JBQLTVLEUUGFSH-XMMPIXPASA-N -1 3 447.284 5.476 1 0 IKAFHM C[C@]12CC[C@@H]3c4ccc([O-])c(F)c4CC[C@H]3[C@@H]1CC[C@@]2(O)/C=C/I ZINC000013651615 562999158 /nfs/dbraw/zinc/99/91/58/562999158.db2.gz QUVCCEPCXNTKAQ-GHUYQSKLSA-N -1 3 442.312 5.067 1 0 IKAFHM C[C@]12CC[C@@H]3c4cc(F)c([O-])cc4CC[C@H]3[C@@H]1CC[C@@]2(O)/C=C/I ZINC000013651614 562999167 /nfs/dbraw/zinc/99/91/67/562999167.db2.gz HLVDBXRUIZJDOP-YTOBHLGISA-N -1 3 442.312 5.067 1 0 IKAFHM CCc1cc(OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c2cc(OC)ccc2n1 ZINC000013728679 563001481 /nfs/dbraw/zinc/00/14/81/563001481.db2.gz VRBGNMLKAUIIEZ-UHFFFAOYSA-N -1 3 437.503 5.232 1 0 IKAFHM CCc1cc(OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c2cc(OC)ccc2n1 ZINC000013728679 563001483 /nfs/dbraw/zinc/00/14/83/563001483.db2.gz VRBGNMLKAUIIEZ-UHFFFAOYSA-N -1 3 437.503 5.232 1 0 IKAFHM N=C(Nc1ccccc1)c1ccc(-c2ccc(C3=CC[C@@](O)(CC(=O)[O-])CC3)cc2)cc1 ZINC000013739727 563002993 /nfs/dbraw/zinc/00/29/93/563002993.db2.gz GXEOQVIWYSZCJA-MHZLTWQESA-N -1 3 426.516 5.564 1 0 IKAFHM CCCCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013824643 563010400 /nfs/dbraw/zinc/01/04/00/563010400.db2.gz PHPBPOAOXZGRJY-UHFFFAOYSA-N -1 3 437.551 5.286 1 0 IKAFHM CCCCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013824643 563010401 /nfs/dbraw/zinc/01/04/01/563010401.db2.gz PHPBPOAOXZGRJY-UHFFFAOYSA-N -1 3 437.551 5.286 1 0 IKAFHM CCCCc1nc2cccc(OC)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013828037 563010852 /nfs/dbraw/zinc/01/08/52/563010852.db2.gz ACZMKFZUWWULIT-UHFFFAOYSA-N -1 3 438.535 5.283 1 0 IKAFHM CCCCc1nc2cccc(OC)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013828037 563010853 /nfs/dbraw/zinc/01/08/53/563010853.db2.gz ACZMKFZUWWULIT-UHFFFAOYSA-N -1 3 438.535 5.283 1 0 IKAFHM Fc1ccc(CCc2ncccc2-c2nnc([N-]c3cccc(C(F)(F)F)c3)o2)cc1F ZINC000014946576 563015416 /nfs/dbraw/zinc/01/54/16/563015416.db2.gz FPGOIPSDOHTGRC-UHFFFAOYSA-N -1 3 446.379 5.957 1 0 IKAFHM CCc1cc(OCc2ccc(-c3c(C)cccc3-c3nnn[n-]3)cc2)c2c(n1)CCCC2 ZINC000026577450 563033841 /nfs/dbraw/zinc/03/38/41/563033841.db2.gz SXMYUTJKMODSLV-UHFFFAOYSA-N -1 3 425.536 5.257 1 0 IKAFHM CCc1cc(OCc2ccc(-c3c(C)cccc3-c3nn[n-]n3)cc2)c2c(n1)CCCC2 ZINC000026577450 563033843 /nfs/dbraw/zinc/03/38/43/563033843.db2.gz SXMYUTJKMODSLV-UHFFFAOYSA-N -1 3 425.536 5.257 1 0 IKAFHM CCc1cc(OCc2ccc(-c3ccccc3-c3nnn[n-]3)c(Cl)c2)c2c(n1)CCCC2 ZINC000026577371 563033849 /nfs/dbraw/zinc/03/38/49/563033849.db2.gz KDRYYKNFANUHTJ-UHFFFAOYSA-N -1 3 445.954 5.602 1 0 IKAFHM CCc1cc(OCc2ccc(-c3ccccc3-c3nn[n-]n3)c(Cl)c2)c2c(n1)CCCC2 ZINC000026577371 563033851 /nfs/dbraw/zinc/03/38/51/563033851.db2.gz KDRYYKNFANUHTJ-UHFFFAOYSA-N -1 3 445.954 5.602 1 0 IKAFHM c1ccc([C@H](CCc2nnn[n-]2)Cc2cccc(OCc3ccc4ccccc4n3)c2)cc1 ZINC000026722643 563035720 /nfs/dbraw/zinc/03/57/20/563035720.db2.gz MONJECLHXLONHX-HSZRJFAPSA-N -1 3 435.531 5.286 1 0 IKAFHM c1ccc([C@H](CCc2nn[n-]n2)Cc2cccc(OCc3ccc4ccccc4n3)c2)cc1 ZINC000026722643 563035722 /nfs/dbraw/zinc/03/57/22/563035722.db2.gz MONJECLHXLONHX-HSZRJFAPSA-N -1 3 435.531 5.286 1 0 IKAFHM O=C1C[C@H](c2ccc(C(F)(F)F)cc2)Cc2[n-]c3ccc(Br)cc3c(=O)c21 ZINC000027083263 563039076 /nfs/dbraw/zinc/03/90/76/563039076.db2.gz WAPOIPROUMDYAZ-LLVKDONJSA-N -1 3 436.227 5.222 1 0 IKAFHM O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2[n-]c3ccc(Br)cc3c(=O)c21 ZINC000027083258 563039117 /nfs/dbraw/zinc/03/91/17/563039117.db2.gz WAPOIPROUMDYAZ-NSHDSACASA-N -1 3 436.227 5.222 1 0 IKAFHM O=C1C[C@H](c2ccc(C(F)(F)F)cc2)Cc2[n-]c3ccc(C(F)(F)F)cc3c(=O)c21 ZINC000027085633 563039237 /nfs/dbraw/zinc/03/92/37/563039237.db2.gz KNGMTLZITVIIMX-LLVKDONJSA-N -1 3 425.328 5.478 1 0 IKAFHM C[C@@H]1C(=O)c2c(=O)c3cc(Cl)ccc3[n-]c2C[C@@H]1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000027100681 563039654 /nfs/dbraw/zinc/03/96/54/563039654.db2.gz GLVDIYUPUBKYMC-CABZTGNLSA-N -1 3 440.248 6.012 1 0 IKAFHM COc1ccc(C(=O)c2oc3cc(-c4ccccc4)cc([O-])c3c2C)c(C(F)(F)F)c1 ZINC000027523278 563042901 /nfs/dbraw/zinc/04/29/01/563042901.db2.gz HSUAPKVXHSLOSV-UHFFFAOYSA-N -1 3 426.390 6.372 1 0 IKAFHM C[S@@](=O)c1ccc([O-])c(CSc2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)c1 ZINC000027525662 563043267 /nfs/dbraw/zinc/04/32/67/563043267.db2.gz PLFOYPGRPXGVAE-PMERELPUSA-N -1 3 439.537 5.013 1 0 IKAFHM C[S@@](=O)c1ccc([O-])c(CSc2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)c1 ZINC000027525662 563043269 /nfs/dbraw/zinc/04/32/69/563043269.db2.gz PLFOYPGRPXGVAE-PMERELPUSA-N -1 3 439.537 5.013 1 0 IKAFHM Cc1cc(C)c2nc(C(C)C)n([C@H]3CCc4cc(-c5ccccc5-c5nnn[n-]5)ccc43)c2n1 ZINC000028105848 563050722 /nfs/dbraw/zinc/05/07/22/563050722.db2.gz HIAQXCKTDNPVSH-QHCPKHFHSA-N -1 3 449.562 5.554 1 0 IKAFHM Cc1cc(C)c2nc(C(C)C)n([C@H]3CCc4cc(-c5ccccc5-c5nn[n-]n5)ccc43)c2n1 ZINC000028105848 563050723 /nfs/dbraw/zinc/05/07/23/563050723.db2.gz HIAQXCKTDNPVSH-QHCPKHFHSA-N -1 3 449.562 5.554 1 0 IKAFHM O=C(c1ccccc1)c1ccc2c(c1[O-])NC1(CCCCC1)[C@@H](NCC1CCCCC1)O2 ZINC000028125501 563051220 /nfs/dbraw/zinc/05/12/20/563051220.db2.gz TZXLMJRRPDIAEG-SANMLTNESA-N -1 3 434.580 5.626 1 0 IKAFHM C[C@]1(C2CCCC2)Cc2cc(-c3ccc(-c4nnn[n-]4)cc3)c(Cl)c(Cl)c2C1=O ZINC000028130237 563051366 /nfs/dbraw/zinc/05/13/66/563051366.db2.gz LPJALUBFUZQUKN-JOCHJYFZSA-N -1 3 427.335 5.776 1 0 IKAFHM C[C@]1(C2CCCC2)Cc2cc(-c3ccc(-c4nn[n-]n4)cc3)c(Cl)c(Cl)c2C1=O ZINC000028130237 563051367 /nfs/dbraw/zinc/05/13/67/563051367.db2.gz LPJALUBFUZQUKN-JOCHJYFZSA-N -1 3 427.335 5.776 1 0 IKAFHM COc1ccc([C@H](c2ccc3ccccc3c2[O-])c2ccc(C(C)C)cc(=O)c2O)cc1 ZINC000028219022 563051596 /nfs/dbraw/zinc/05/15/96/563051596.db2.gz CHWFVHOGGFETFZ-AREMUKBSSA-N -1 3 426.512 5.923 1 0 IKAFHM O=C([O-])C[C@@H](c1c[nH]cn1)N(CCc1cccs1)Cc1ccc(-c2ccccc2)cc1 ZINC000028341093 563052867 /nfs/dbraw/zinc/05/28/67/563052867.db2.gz KPDHBCNLGPTZNC-DEOSSOPVSA-N -1 3 431.561 5.399 1 0 IKAFHM O=C([O-])C[C@@H](c1cnc[nH]1)N(CCc1cccs1)Cc1ccc(-c2ccccc2)cc1 ZINC000028341093 563052868 /nfs/dbraw/zinc/05/28/68/563052868.db2.gz KPDHBCNLGPTZNC-DEOSSOPVSA-N -1 3 431.561 5.399 1 0 IKAFHM Cn1cnc(NCc2cccc3ncccc23)c1-c1nnc([N-]c2ccc(Cl)cc2)o1 ZINC000028571771 563059398 /nfs/dbraw/zinc/05/93/98/563059398.db2.gz FKYWSZYVHGDUPF-UHFFFAOYSA-N -1 3 431.887 5.027 1 0 IKAFHM [O-]c1cc(Nc2ccnc3cc(-c4cc5ccccc5o4)ccc32)ccc1Br ZINC000028823958 563065959 /nfs/dbraw/zinc/06/59/59/563065959.db2.gz SAPRCZLNSVETMH-UHFFFAOYSA-N -1 3 431.289 6.860 1 0 IKAFHM O=C1[C@H](O)Cc2c(-c3ccccc3Cl)cc([O-])cc2N1c1c(Cl)cccc1Cl ZINC000029125704 563074518 /nfs/dbraw/zinc/07/45/18/563074518.db2.gz LIMUHDUGJOAAIJ-LJQANCHMSA-N -1 3 434.706 5.601 1 0 IKAFHM COc1ccc2c(c1OC)-c1cc(ccc1[O-])/C=C\C(=O)O[C@@H]1C[C@@H]2[C@@H]2CCCC[C@H]2C1 ZINC000034073349 563085478 /nfs/dbraw/zinc/08/54/78/563085478.db2.gz FICKEVYMKDEOLD-GBADRQHPSA-N -1 3 434.532 5.699 1 0 IKAFHM CC(C)c1nccc2c1c(Sc1ccc(Cl)cc1Cl)c1n2CC[C@H]1CC(=O)[O-] ZINC000038840231 563098481 /nfs/dbraw/zinc/09/84/81/563098481.db2.gz DUBMQSMUGSQPDR-LBPRGKRZSA-N -1 3 435.376 6.580 1 0 IKAFHM O=c1[n-]c(=S)[nH]c(-c2ccc(C(F)(F)F)cc2)c1Cc1c(O)ccc2ccccc21 ZINC000040423285 563102595 /nfs/dbraw/zinc/10/25/95/563102595.db2.gz HKCBVKRQQPQECL-UHFFFAOYSA-N -1 3 428.435 5.568 1 0 IKAFHM CCCC[C@H]1Nc2ccccc2C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000040466324 563103947 /nfs/dbraw/zinc/10/39/47/563103947.db2.gz MZELAPLYHMJGGX-DEOSSOPVSA-N -1 3 438.535 5.118 1 0 IKAFHM CCCC[C@H]1Nc2ccccc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000040466324 563103949 /nfs/dbraw/zinc/10/39/49/563103949.db2.gz MZELAPLYHMJGGX-DEOSSOPVSA-N -1 3 438.535 5.118 1 0 IKAFHM CN(C)C[C@H]1Cn2c3cc(C(=O)[O-])ccc3c(C3CCCCC3)c2-c2ccccc2N1C ZINC000040934202 563112393 /nfs/dbraw/zinc/11/23/93/563112393.db2.gz XDPSSGZQLPRRDF-FQEVSTJZSA-N -1 3 431.580 5.434 1 0 IKAFHM CCCc1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCC[C@H]1CC(=O)[O-] ZINC000040937241 563112960 /nfs/dbraw/zinc/11/29/60/563112960.db2.gz YXJFHHCBCZJNEC-ZDUSSCGKSA-N -1 3 449.403 6.799 1 0 IKAFHM CC(C)c1nccc2c1c(Sc1c(Cl)cccc1Cl)c1n2CC[C@H]1CC(=O)[O-] ZINC000040939952 563113425 /nfs/dbraw/zinc/11/34/25/563113425.db2.gz MYYRBELEOPTTFG-LBPRGKRZSA-N -1 3 435.376 6.580 1 0 IKAFHM COc1cc(C2CCCCC2)c(OC)cc1C[C@@H]1c2cc([O-])c(Cl)cc2CCN1C ZINC000045194056 563124172 /nfs/dbraw/zinc/12/41/72/563124172.db2.gz QEOHGLYJOMUWFA-JOCHJYFZSA-N -1 3 429.988 5.882 1 0 IKAFHM Cc1ccc(C(=O)Nc2ccc(Nc3ccnc4cc(-c5ccccn5)ccc43)cc2[O-])cc1 ZINC000045201670 563124837 /nfs/dbraw/zinc/12/48/37/563124837.db2.gz APRZTYLGFOVRRT-UHFFFAOYSA-N -1 3 446.510 6.307 1 0 IKAFHM CCCCNC(=O)[C@@H](NC(=O)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1)C(C)C ZINC000045202012 563124953 /nfs/dbraw/zinc/12/49/53/563124953.db2.gz MKQJHFQBBYFEOM-FQEVSTJZSA-N -1 3 437.367 5.037 1 0 IKAFHM CN1CCc2cc(Cl)c([O-])cc2[C@H]2c3cccc(-c4cc(F)cc(F)c4)c3CC[C@@H]21 ZINC000045355154 563132518 /nfs/dbraw/zinc/13/25/18/563132518.db2.gz UOQCESDGUHFPMW-UKILVPOCSA-N -1 3 425.906 5.925 1 0 IKAFHM CCCCCCC(C)(C)c1cc([N-]S(C)(=O)=O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21 ZINC000045368656 563133215 /nfs/dbraw/zinc/13/32/15/563133215.db2.gz GWEZFNZYNZYCHM-NHCUHLMSSA-N -1 3 447.685 6.917 1 0 IKAFHM COc1c(F)c(F)cc2c(=O)c(-c3nnc([N-]c4ccc(Cl)cc4)o3)cn(C3CC3)c21 ZINC000064549447 563155712 /nfs/dbraw/zinc/15/57/12/563155712.db2.gz DOLLCKGGDLAHBF-UHFFFAOYSA-N -1 3 444.825 5.070 1 0 IKAFHM CCn1c2ccncc2c2cc([N-]S(=O)(=O)c3ccc(Oc4ccccc4)cc3)ccc21 ZINC000064573418 563156374 /nfs/dbraw/zinc/15/63/74/563156374.db2.gz SPURQVIDMQXGPC-UHFFFAOYSA-N -1 3 443.528 5.803 1 0 IKAFHM COc1ccc(-c2ccn(-c3cc(F)c([O-])c(F)c3)c2-c2ccc(C(N)=O)cc2C)cc1 ZINC000071295212 563161635 /nfs/dbraw/zinc/16/16/35/563161635.db2.gz XSVNHICTJASRLV-UHFFFAOYSA-N -1 3 434.442 5.211 1 0 IKAFHM CO[C@H]1O[C@H](C)[C@@H](C)c2c(C)c3c(c([O-])c21)[C@@H]1O[C@H](C)[C@@H](C)c2c(C)c(O)cc(c21)O3 ZINC000072179523 563166517 /nfs/dbraw/zinc/16/65/17/563166517.db2.gz VSZGJLCADUYDAO-WDVKHEKJSA-N -1 3 426.509 5.599 1 0 IKAFHM CC1=C(CN2CC(C(=O)[O-])C2)CCc2cc(OC[C@@H](C)Cc3ccc(Cl)cc3)ccc21 ZINC000073275270 563171546 /nfs/dbraw/zinc/17/15/46/563171546.db2.gz MVSWRSTUADVPPO-KRWDZBQOSA-N -1 3 439.983 5.334 1 0 IKAFHM [O-]c1ccccc1-c1cc(-c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)[nH]c(=S)n1 ZINC000082157559 563173748 /nfs/dbraw/zinc/17/37/48/563173748.db2.gz IIVOFRXUGYFIKP-UHFFFAOYSA-N -1 3 440.503 6.171 1 0 IKAFHM COc1cc2ncnc(Oc3cccc(NC(=O)[N-]c4cc(C(C)C)no4)c3)c2cc1OC ZINC000084758115 563179574 /nfs/dbraw/zinc/17/95/74/563179574.db2.gz IJFYJRITYUFHIZ-UHFFFAOYSA-N -1 3 449.467 5.195 1 0 IKAFHM Cc1ccc2[nH]c(-c3ccccc3)c([C@@H]3C=C(c4ccccc4)Oc4[n-]c(=O)nc(N)c43)c2c1 ZINC000095602260 563193122 /nfs/dbraw/zinc/19/31/22/563193122.db2.gz CHTRVUDLPTYWJJ-FQEVSTJZSA-N -1 3 446.510 5.374 1 0 IKAFHM Cc1sc2[n-]c(-c3sc(NC(=O)c4ccco4)nc3-c3ccccc3)nc(=O)c2c1C ZINC000096927340 563198140 /nfs/dbraw/zinc/19/81/40/563198140.db2.gz LSVXWXUOGPINSV-UHFFFAOYSA-N -1 3 448.529 5.237 1 0 IKAFHM CCN1c2ccc(C(F)(F)F)cc2N(c2ccccc2)C(=O)N(c2ccc([O-])cc2)C1=O ZINC000096928724 563198332 /nfs/dbraw/zinc/19/83/32/563198332.db2.gz MDIBRZHIXLGGFE-UHFFFAOYSA-N -1 3 441.409 6.136 1 0 IKAFHM COc1cc(-c2coc3c(CC=C(C)C)c4c(c([O-])c3c2=O)C=CC(C)(C)O4)ccc1O ZINC000013374413 560215427 /nfs/dbraw/zinc/21/54/27/560215427.db2.gz QGXIIQMVACEMFG-UHFFFAOYSA-N -1 3 434.488 5.573 1 0 biogenic,in-vitro IKAFHM COc1ccc([C@@H](c2ccc3cccnc3c2[O-])c2ccc(C(C)C)cc(=O)c2O)cc1 ZINC000005615882 562944450 /nfs/dbraw/zinc/94/44/50/562944450.db2.gz FEMXFSMHWCFXMA-XMMPIXPASA-N -1 3 427.500 5.318 1 0 IKAFHM CC(C)=CCOc1cc2c(CC=C(C)C)c(O)c(C(C)=O)c([O-])c2c2c1C=CC(C)(C)O2 ZINC000013308077 562985627 /nfs/dbraw/zinc/98/56/27/562985627.db2.gz HTWXIQRLVLRJGN-UHFFFAOYSA-N -1 3 436.548 6.492 1 0 IKAFHM COc1ccc([C@@H]2CC(=O)c3c([O-])c(CC=C(C)C)c4c(c3O2)C=CC(C)(C)O4)cc1O ZINC000013339863 562985783 /nfs/dbraw/zinc/98/57/83/562985783.db2.gz RGXSRPKLOMKRQU-NRFANRHFSA-N -1 3 436.504 5.506 1 0 in-vitro IKAFHM CCc1cc(OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c2ccc(OC)cc2n1 ZINC000013728692 563001498 /nfs/dbraw/zinc/00/14/98/563001498.db2.gz CONFRUZBBKSUKV-UHFFFAOYSA-N -1 3 437.503 5.232 1 0 IKAFHM CCc1cc(OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c2ccc(OC)cc2n1 ZINC000013728692 563001500 /nfs/dbraw/zinc/00/15/00/563001500.db2.gz CONFRUZBBKSUKV-UHFFFAOYSA-N -1 3 437.503 5.232 1 0 IKAFHM CCc1cc(-c2ccc(N(C)C)cc2)c(O)cc1OCCCCCC(C)(C)c1nnn[n-]1 ZINC000013744117 563003753 /nfs/dbraw/zinc/00/37/53/563003753.db2.gz QDBZREYLJBZHBY-UHFFFAOYSA-N -1 3 437.588 5.118 1 0 IKAFHM CCc1cc(-c2ccc(N(C)C)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[n-]n1 ZINC000013744117 563003755 /nfs/dbraw/zinc/00/37/55/563003755.db2.gz QDBZREYLJBZHBY-UHFFFAOYSA-N -1 3 437.588 5.118 1 0 IKAFHM Cc1cc(OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c(Cc2ccccc2)c(C)n1 ZINC000013826896 563010623 /nfs/dbraw/zinc/01/06/23/563010623.db2.gz WQPUSSFOHANZLH-UHFFFAOYSA-N -1 3 447.542 5.715 1 0 IKAFHM CCCCCNC(=O)Nc1c([O-])cccc1OCCCn1cnc(-c2ccccc2)c1C ZINC000013827648 563010692 /nfs/dbraw/zinc/01/06/92/563010692.db2.gz SQCKDWZAWDDFCX-UHFFFAOYSA-N -1 3 436.556 5.345 1 0 IKAFHM O=C(NCCNc1ccc(F)cc1)[C@H](CC1CCCCC1)[N-]c1nc2ccc(F)cc2o1 ZINC000014971581 563016638 /nfs/dbraw/zinc/01/66/38/563016638.db2.gz YQCHYVLUGFKQRP-NRFANRHFSA-N -1 3 442.510 5.085 1 0 IKAFHM CN(C)CCOc1ccc(/C(=C(/CCCC(=O)[O-])c2ccccc2)c2ccc(O)cc2)cc1 ZINC000014978662 563017262 /nfs/dbraw/zinc/01/72/62/563017262.db2.gz NKVKAJIJRJZXDF-SGEDCAFJSA-N -1 3 445.559 5.547 1 0 IKAFHM CCCC[C@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(-c4nnn[n-]4)cc3OC)c2c1 ZINC000026488525 563032438 /nfs/dbraw/zinc/03/24/38/563032438.db2.gz RWKLOFLZBJRUIT-KRWDZBQOSA-N -1 3 446.555 5.033 1 0 IKAFHM CCCC[C@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(-c4nn[n-]n4)cc3OC)c2c1 ZINC000026488525 563032439 /nfs/dbraw/zinc/03/24/39/563032439.db2.gz RWKLOFLZBJRUIT-KRWDZBQOSA-N -1 3 446.555 5.033 1 0 IKAFHM CC(C)c1cccc(C(C)C)c1[N-]S(=O)(=O)CC(=O)N(Cc1ccccc1)C(C)C ZINC000026741988 563036237 /nfs/dbraw/zinc/03/62/37/563036237.db2.gz PSBVMZBAKZHHIG-UHFFFAOYSA-N -1 3 430.614 5.112 1 0 IKAFHM O=c1oc2cc([O-])ccc2c(-c2cccc(OCCN3CCCCC3)c2)c1-c1ccccc1 ZINC000027078947 563039047 /nfs/dbraw/zinc/03/90/47/563039047.db2.gz OGYBPNXQNAYUHY-UHFFFAOYSA-N -1 3 441.527 5.697 1 0 IKAFHM COc1ccc(CCOC(=O)c2oc3cc(-c4ccccc4)cc([O-])c3c2C)cc1OC ZINC000027522468 563042854 /nfs/dbraw/zinc/04/28/54/563042854.db2.gz QVLBOSJARHNTDR-UHFFFAOYSA-N -1 3 432.472 5.531 1 0 IKAFHM CCCCc1nc2ccccc2c(OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000027559617 563044137 /nfs/dbraw/zinc/04/41/37/563044137.db2.gz ZUYVNIUMTCHYOD-UHFFFAOYSA-N -1 3 436.519 5.399 1 0 IKAFHM CCCCc1nc2ccccc2c(OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000027559617 563044139 /nfs/dbraw/zinc/04/41/39/563044139.db2.gz ZUYVNIUMTCHYOD-UHFFFAOYSA-N -1 3 436.519 5.399 1 0 IKAFHM CCc1nc2c(nc(C)cc2C)n1[C@@H]1CCCc2cc(-c3ccccc3-c3nnn[n-]3)ccc21 ZINC000028022228 563050104 /nfs/dbraw/zinc/05/01/04/563050104.db2.gz PXZXEXJYCNMVNB-HSZRJFAPSA-N -1 3 449.562 5.383 1 0 IKAFHM CCc1nc2c(nc(C)cc2C)n1[C@@H]1CCCc2cc(-c3ccccc3-c3nn[n-]n3)ccc21 ZINC000028022228 563050106 /nfs/dbraw/zinc/05/01/06/563050106.db2.gz PXZXEXJYCNMVNB-HSZRJFAPSA-N -1 3 449.562 5.383 1 0 IKAFHM C[C@]1(C2CCCC2)Cc2cc(OCCCCCc3nnn[n-]3)c(Cl)c(Cl)c2C1=O ZINC000028344185 563052962 /nfs/dbraw/zinc/05/29/62/563052962.db2.gz OMDAXCSLKUCCJH-OAQYLSRUSA-N -1 3 437.371 5.234 1 0 IKAFHM C[C@]1(C2CCCC2)Cc2cc(OCCCCCc3nn[n-]n3)c(Cl)c(Cl)c2C1=O ZINC000028344185 563052963 /nfs/dbraw/zinc/05/29/63/563052963.db2.gz OMDAXCSLKUCCJH-OAQYLSRUSA-N -1 3 437.371 5.234 1 0 IKAFHM C[C@@H]1CN(c2ccccc2Sc2ccc(-c3ccccc3)cc2)[C@@H](C)CN1CC(=O)[O-] ZINC000028363717 563053547 /nfs/dbraw/zinc/05/35/47/563053547.db2.gz ZUESIWVTDPYSCL-UXHICEINSA-N -1 3 432.589 5.488 1 0 IKAFHM Cc1c2ccn(CC(C)(C)C)c2ccc1OCCCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000028461852 563055178 /nfs/dbraw/zinc/05/51/78/563055178.db2.gz FGYRNUQINXXIOB-UHFFFAOYSA-N -1 3 433.556 5.414 1 0 IKAFHM Cc1c2ccn(CC(C)(C)C)c2ccc1OCCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000028461852 563055180 /nfs/dbraw/zinc/05/51/80/563055180.db2.gz FGYRNUQINXXIOB-UHFFFAOYSA-N -1 3 433.556 5.414 1 0 IKAFHM Cn1cnc(NCc2ccc3ccccc3n2)c1-c1nnc([N-]c2ccc(Cl)cc2)o1 ZINC000028570550 563059151 /nfs/dbraw/zinc/05/91/51/563059151.db2.gz VFDRTXUIXBLCBJ-UHFFFAOYSA-N -1 3 431.887 5.027 1 0 IKAFHM C[C@H](Nc1cc(Nc2nccc(-c3ccc(CC(=O)[O-])cc3)n2)ccn1)c1ccccc1 ZINC000029126559 563074638 /nfs/dbraw/zinc/07/46/38/563074638.db2.gz CIAQJJGORODQOS-KRWDZBQOSA-N -1 3 425.492 5.082 1 0 IKAFHM Cc1nsc([N-]C(=O)C(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1Cl ZINC000029126740 563074776 /nfs/dbraw/zinc/07/47/76/563074776.db2.gz IGEISIZENPIACK-UHFFFAOYSA-N -1 3 444.343 5.583 1 0 IKAFHM CC(Cl)(Cl)c1nc2c(cccc2C(F)(F)F)c([O-])c1C(=O)Nc1nccs1 ZINC000029242005 563077129 /nfs/dbraw/zinc/07/71/29/563077129.db2.gz HXSCTUSCWIVXEH-UHFFFAOYSA-N -1 3 436.242 5.318 1 0 IKAFHM CCCCCCc1csc(N2CCc3cc(S(=O)(=O)[N-]c4ccccc4)ccc32)n1 ZINC000029551906 563082003 /nfs/dbraw/zinc/08/20/03/563082003.db2.gz UEIDNYKZAFHMHU-UHFFFAOYSA-N -1 3 441.622 5.761 1 0 IKAFHM S=c1[n-]nc(COc2ccc(-c3ccccc3)cc2)n1-c1ccc(Br)cc1 ZINC000033857952 563084992 /nfs/dbraw/zinc/08/49/92/563084992.db2.gz GTHZTFKGLNSVEV-UHFFFAOYSA-N -1 3 438.350 5.565 1 0 IKAFHM COc1ccc2c(c1OC)-c1cc(ccc1[O-])/C=C\C(=O)O[C@@H]1C[C@@H]2[C@H]2CCCC[C@H]2C1 ZINC000034073347 563085452 /nfs/dbraw/zinc/08/54/52/563085452.db2.gz FICKEVYMKDEOLD-RZKPYUORSA-N -1 3 434.532 5.699 1 0 IKAFHM CCS(=O)(=O)[N-]c1cccnc1-c1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000038149570 563096546 /nfs/dbraw/zinc/09/65/46/563096546.db2.gz GOYULMQJOFIGPY-UHFFFAOYSA-N -1 3 437.565 5.060 1 0 IKAFHM CN(C)C[C@H]1Cn2c3cc(C(=O)[O-])ccc3c(C3CCCCC3)c2-c2ccccc2CN1C ZINC000040411735 563101791 /nfs/dbraw/zinc/10/17/91/563101791.db2.gz JORCHRMBCDTLBP-QFIPXVFZSA-N -1 3 445.607 5.430 1 0 IKAFHM CCCC[C@@H]1Nc2ccccc2C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000040466323 563103990 /nfs/dbraw/zinc/10/39/90/563103990.db2.gz MZELAPLYHMJGGX-XMMPIXPASA-N -1 3 438.535 5.118 1 0 IKAFHM CCCC[C@@H]1Nc2ccccc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000040466323 563103991 /nfs/dbraw/zinc/10/39/91/563103991.db2.gz MZELAPLYHMJGGX-XMMPIXPASA-N -1 3 438.535 5.118 1 0 IKAFHM COc1cc(/C=C\Cc2cc3scc(-c4ccccc4)c3c([O-])c2)cc(OC)c1OC ZINC000040566160 563104854 /nfs/dbraw/zinc/10/48/54/563104854.db2.gz NAVVFPQXDVMBLD-CLFYSBASSA-N -1 3 432.541 6.556 1 0 IKAFHM CCCCc1nc([C@@H](C)c2ccc(-c3ccccc3-c3nnn[n-]3)cc2)n(CCCC)n1 ZINC000040639246 563105703 /nfs/dbraw/zinc/10/57/03/563105703.db2.gz REJXIIHCBYNERW-SFHVURJKSA-N -1 3 429.572 5.420 1 0 IKAFHM CCCCc1nc([C@@H](C)c2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n(CCCC)n1 ZINC000040639246 563105704 /nfs/dbraw/zinc/10/57/04/563105704.db2.gz REJXIIHCBYNERW-SFHVURJKSA-N -1 3 429.572 5.420 1 0 IKAFHM O=C(Nc1cc(-c2ccccc2)c([O-])c(-c2ccccc2)c1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000040791300 563106822 /nfs/dbraw/zinc/10/68/22/563106822.db2.gz NVMIPOOAPIJFSG-OAQYLSRUSA-N -1 3 440.543 5.456 1 0 IKAFHM O=C([O-])c1ccc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1 ZINC000040934234 563112388 /nfs/dbraw/zinc/11/23/88/563112388.db2.gz WHYVOHRBELCGNG-UHFFFAOYSA-N -1 3 430.504 5.028 1 0 IKAFHM CC(C)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCC[C@H]1CC(=O)[O-] ZINC000040937623 563113005 /nfs/dbraw/zinc/11/30/05/563113005.db2.gz BDEJQAFLKBWLRG-ZDUSSCGKSA-N -1 3 449.403 6.970 1 0 IKAFHM [O-]c1csc(N2N=C(c3ccccc3)C[C@H]2c2ccc(OCc3ccccc3)cc2)n1 ZINC000043079788 563118485 /nfs/dbraw/zinc/11/84/85/563118485.db2.gz KNJOUWDAWPWWPJ-QHCPKHFHSA-N -1 3 427.529 5.046 1 0 IKAFHM CC(C)Oc1ccc(-c2nc(-c3cccc4c3CN(CCCC(=O)[O-])C4)no2)cc1Cl ZINC000043206617 563119626 /nfs/dbraw/zinc/11/96/26/563119626.db2.gz PVNSGOZBJZBKCA-UHFFFAOYSA-N -1 3 441.915 5.025 1 0 IKAFHM CCCCC[C@H](C)[C@H](C)c1cc([O-])c2c(c1)oc(=O)c1c2CCN(Cc2ccccc2)C1 ZINC000045202578 563125112 /nfs/dbraw/zinc/12/51/12/563125112.db2.gz UOFOOSVHSIWUSB-PMACEKPBSA-N -1 3 433.592 6.377 1 0 IKAFHM CC(C)(C)OC(=O)N(Cc1cccc(C(F)(F)F)c1)Cc1ccc([O-])c2ncccc12 ZINC000049067661 563137346 /nfs/dbraw/zinc/13/73/46/563137346.db2.gz FMEQNIVQWKPUPL-UHFFFAOYSA-N -1 3 432.442 5.897 1 0 IKAFHM COc1cc(/C=C2/c3ccccc3N(c3c(Cl)cccc3Cl)C2=O)cc(OC)c1[O-] ZINC000095554303 563181111 /nfs/dbraw/zinc/18/11/11/563181111.db2.gz FJFISXFAMYWPSK-GDNBJRDFSA-N -1 3 442.298 5.935 1 0 IKAFHM CC[C@@H](C)c1cc(-c2ccc(OCCN(C)C)c([C@@H](C)CC)c2)ccc1OCC(=O)[O-] ZINC000095555355 563181271 /nfs/dbraw/zinc/18/12/71/563181271.db2.gz AAKIKGCJVGKMAI-RBUKOAKNSA-N -1 3 427.585 5.784 1 0 IKAFHM [O-]c1ccc2cc1Oc1ccc(c(O)c1)CCc1cc(O)ccc1-c1ccc(cc1O)CC2 ZINC000095563879 563183014 /nfs/dbraw/zinc/18/30/14/563183014.db2.gz INMCZJKRQGAPFX-UHFFFAOYSA-N -1 3 440.495 5.852 1 0 IKAFHM Cc1ccc(C2=C[C@@H](c3c4ccccc4[nH]c3-c3ccccc3)c3c(=O)[n-]cnc3O2)cc1 ZINC000095601538 563192895 /nfs/dbraw/zinc/19/28/95/563192895.db2.gz KGYGJYNFDMHNFK-NRFANRHFSA-N -1 3 431.495 5.792 1 0 IKAFHM Nc1nc(=O)[n-]c2c1[C@@H](c1c3ccccc3[nH]c1-c1ccccc1)C=C(c1ccccc1)O2 ZINC000095604138 563193627 /nfs/dbraw/zinc/19/36/27/563193627.db2.gz VICKFNFTGURTBA-LJQANCHMSA-N -1 3 432.483 5.066 1 0 IKAFHM Nc1nc(=O)[n-]c2c1[C@H](c1c3ccccc3[nH]c1-c1ccccc1)C=C(c1ccccc1)O2 ZINC000095604137 563193640 /nfs/dbraw/zinc/19/36/40/563193640.db2.gz VICKFNFTGURTBA-IBGZPJMESA-N -1 3 432.483 5.066 1 0 IKAFHM COc1ccc(-c2n[n-]c3c2[C@H](C2CCCCC2)N(c2ccc4[nH]ccc4c2)C3=O)cc1 ZINC000096177063 563196349 /nfs/dbraw/zinc/19/63/49/563196349.db2.gz SEESTDWSGXROMT-VWLOTQADSA-N -1 3 426.520 5.848 1 0 IKAFHM COc1ccc(-c2[n-]nc3c2[C@H](C2CCCCC2)N(c2ccc4[nH]ccc4c2)C3=O)cc1 ZINC000096177063 563196350 /nfs/dbraw/zinc/19/63/50/563196350.db2.gz SEESTDWSGXROMT-VWLOTQADSA-N -1 3 426.520 5.848 1 0 IKAFHM CC(C)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CC[C@@H]1CC(=O)[O-] ZINC000096305020 563197341 /nfs/dbraw/zinc/19/73/41/563197341.db2.gz LUZBJNWFEDHIPR-GFCCVEGCSA-N -1 3 435.376 6.580 1 0 IKAFHM CC(C)=CCC/C(C)=C/Cc1c2oc(-c3cc(O)cc(O)c3CC=C(C)C)cc2ccc1[O-] ZINC000001631746 291396496 /nfs/dbraw/zinc/39/64/96/291396496.db2.gz WCJPAQJEARHLGS-KEBDBYFISA-N -1 3 446.587 7.961 1 0 biogenic,in-vivo IKAFHM [O-]c1ccc(CCc2cccc(O)c2)cc1Oc1ccc(CCc2cccc(O)c2)cc1 ZINC000014649947 291411810 /nfs/dbraw/zinc/41/18/10/291411810.db2.gz OCZHVLYTYFWOAX-UHFFFAOYSA-N -1 3 426.512 6.166 1 0 biogenic,in-vitro IKAFHM COc1cc(Nc2nccc([N-]c3cc(C4CCCCC4)no3)n2)cc(OC)c1OC ZINC000001492332 562922333 /nfs/dbraw/zinc/92/23/33/562922333.db2.gz OTVCFDOYUHREFJ-UHFFFAOYSA-N -1 3 425.489 5.025 1 0 IKAFHM CN(C)CCOc1ccc(-c2cc(-c3ccc(Cl)c([O-])c3)c(-c3ccncc3)o2)cc1 ZINC000003988866 562940504 /nfs/dbraw/zinc/94/05/04/562940504.db2.gz CJHFEOLMYPLKDV-UHFFFAOYSA-N -1 3 434.923 5.975 1 0 IKAFHM COc1cc(CC[C@H](CCc2ccccc2)OC(=S)[N-]CCc2ccccc2)ccc1O ZINC000013489519 562989889 /nfs/dbraw/zinc/98/98/89/562989889.db2.gz VUWXZDPCOJSJEV-DEOSSOPVSA-N -1 3 449.616 5.469 1 0 IKAFHM S=c1[n-]c(-c2ccc(Cl)cc2Cl)nn1Cc1cccc(Oc2ccccc2)c1 ZINC000013536896 562992402 /nfs/dbraw/zinc/99/24/02/562992402.db2.gz VGWBEDMOOQUIKD-UHFFFAOYSA-N -1 3 428.344 6.381 1 0 IKAFHM C[C@]12CC[C@@H]3c4cc(F)c([O-])cc4CC[C@H]3[C@@H]1CC[C@@]2(O)/C=C\I ZINC000013651620 562999291 /nfs/dbraw/zinc/99/92/91/562999291.db2.gz HLVDBXRUIZJDOP-AQYZHNDFSA-N -1 3 442.312 5.067 1 0 IKAFHM CCc1cc(OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c2ccc(Cl)cc2n1 ZINC000013728686 563001504 /nfs/dbraw/zinc/00/15/04/563001504.db2.gz IUYNTOUXPMAIEK-UHFFFAOYSA-N -1 3 441.922 5.877 1 0 IKAFHM CCc1cc(OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c2ccc(Cl)cc2n1 ZINC000013728686 563001505 /nfs/dbraw/zinc/00/15/05/563001505.db2.gz IUYNTOUXPMAIEK-UHFFFAOYSA-N -1 3 441.922 5.877 1 0 IKAFHM CN(C)Cc1sccc1Oc1cccc(-c2c([O-])[nH]c3cc(Cl)ccc3c2=O)c1 ZINC000013775726 563005707 /nfs/dbraw/zinc/00/57/07/563005707.db2.gz DJYSLBHGRAHXLV-UHFFFAOYSA-N -1 3 426.925 5.470 1 0 IKAFHM CN(C)Cc1sccc1Oc1cccc(-c2c(=O)[nH]c3cc(Cl)ccc3c2[O-])c1 ZINC000013775726 563005709 /nfs/dbraw/zinc/00/57/09/563005709.db2.gz DJYSLBHGRAHXLV-UHFFFAOYSA-N -1 3 426.925 5.470 1 0 IKAFHM O=c1c(O)c([O-])c(-c2ccc(C(F)(F)F)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1O ZINC000013775900 563005789 /nfs/dbraw/zinc/00/57/89/563005789.db2.gz ZCGPTEQUCLOKEG-UHFFFAOYSA-N -1 3 442.311 5.535 1 0 IKAFHM O=c1c([O-])c(O)c(-c2ccc(C(F)(F)F)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1O ZINC000013775900 563005790 /nfs/dbraw/zinc/00/57/90/563005790.db2.gz ZCGPTEQUCLOKEG-UHFFFAOYSA-N -1 3 442.311 5.535 1 0 IKAFHM CCCCc1nnc(SCC(C)C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013825638 563010533 /nfs/dbraw/zinc/01/05/33/563010533.db2.gz LJUIJNVLUFWXTG-UHFFFAOYSA-N -1 3 447.612 5.264 1 0 IKAFHM CCCCc1nnc(SCC(C)C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013825638 563010535 /nfs/dbraw/zinc/01/05/35/563010535.db2.gz LJUIJNVLUFWXTG-UHFFFAOYSA-N -1 3 447.612 5.264 1 0 IKAFHM Cc1cc(OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c(-c2ccncc2)c(C)n1 ZINC000013826893 563010616 /nfs/dbraw/zinc/01/06/16/563010616.db2.gz NEOQAUFUNSIZIU-UHFFFAOYSA-N -1 3 434.503 5.187 1 0 IKAFHM Cc1cc(OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c(-c2ccncc2)c(C)n1 ZINC000013826893 563010618 /nfs/dbraw/zinc/01/06/18/563010618.db2.gz NEOQAUFUNSIZIU-UHFFFAOYSA-N -1 3 434.503 5.187 1 0 IKAFHM CCCCc1nc2ccc(OC)cc2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013828029 563010838 /nfs/dbraw/zinc/01/08/38/563010838.db2.gz RNFPQAYHCNOZCL-UHFFFAOYSA-N -1 3 438.535 5.283 1 0 IKAFHM CCCCc1nc2ccc(OC)cc2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013828029 563010840 /nfs/dbraw/zinc/01/08/40/563010840.db2.gz RNFPQAYHCNOZCL-UHFFFAOYSA-N -1 3 438.535 5.283 1 0 IKAFHM Cc1ccc([N-]c2nnc(-c3cccnc3CCc3ccncc3)o2)cc1C(F)(F)F ZINC000014946607 563015487 /nfs/dbraw/zinc/01/54/87/563015487.db2.gz TXKJCQVOEAMXER-UHFFFAOYSA-N -1 3 425.414 5.383 1 0 IKAFHM CCc1cc(OCc2ccc(-c3ccc(C)cc3-c3nnn[n-]3)cc2)c2c(n1)CCCC2 ZINC000026577660 563033949 /nfs/dbraw/zinc/03/39/49/563033949.db2.gz YCHCSDRQYNIEBW-UHFFFAOYSA-N -1 3 425.536 5.257 1 0 IKAFHM CCc1cc(OCc2ccc(-c3ccc(C)cc3-c3nn[n-]n3)cc2)c2c(n1)CCCC2 ZINC000026577660 563033950 /nfs/dbraw/zinc/03/39/50/563033950.db2.gz YCHCSDRQYNIEBW-UHFFFAOYSA-N -1 3 425.536 5.257 1 0 IKAFHM O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2[n-]c3ccc(C(F)(F)F)cc3c(=O)c21 ZINC000027085627 563039145 /nfs/dbraw/zinc/03/91/45/563039145.db2.gz KNGMTLZITVIIMX-NSHDSACASA-N -1 3 425.328 5.478 1 0 IKAFHM O=C1C[C@@H](c2ccc(Cl)cc2Cl)Cc2[n-]c3c(Cl)ccc(Cl)c3c(=O)c21 ZINC000027088687 563039229 /nfs/dbraw/zinc/03/92/29/563039229.db2.gz HYVLFMMPQDWTLH-QMMMGPOBSA-N -1 3 427.114 6.054 1 0 IKAFHM O=C1C[C@@H](c2ccc(Cl)cc2Cl)Cc2nc3c(Cl)ccc(Cl)c3c([O-])c21 ZINC000027088687 563039231 /nfs/dbraw/zinc/03/92/31/563039231.db2.gz HYVLFMMPQDWTLH-QMMMGPOBSA-N -1 3 427.114 6.054 1 0 IKAFHM CCc1nc2c(nc(C)cc2C)n1[C@H]1CCCc2cc(-c3ccccc3-c3nnn[n-]3)ccc21 ZINC000028022232 563050159 /nfs/dbraw/zinc/05/01/59/563050159.db2.gz PXZXEXJYCNMVNB-QHCPKHFHSA-N -1 3 449.562 5.383 1 0 IKAFHM CCc1nc2c(nc(C)cc2C)n1[C@H]1CCCc2cc(-c3ccccc3-c3nn[n-]n3)ccc21 ZINC000028022232 563050160 /nfs/dbraw/zinc/05/01/60/563050160.db2.gz PXZXEXJYCNMVNB-QHCPKHFHSA-N -1 3 449.562 5.383 1 0 IKAFHM O=C(c1ccccc1)c1ccc2c(c1[O-])NC1(CCCCC1)[C@H](NCC1CCCCC1)O2 ZINC000028125505 563051186 /nfs/dbraw/zinc/05/11/86/563051186.db2.gz TZXLMJRRPDIAEG-AREMUKBSSA-N -1 3 434.580 5.626 1 0 IKAFHM C[C@@]1(C2CCCC2)Cc2cc(-c3ccc(-c4nnn[n-]4)cc3)c(Cl)c(Cl)c2C1=O ZINC000028130230 563051376 /nfs/dbraw/zinc/05/13/76/563051376.db2.gz LPJALUBFUZQUKN-QFIPXVFZSA-N -1 3 427.335 5.776 1 0 IKAFHM C[C@@]1(C2CCCC2)Cc2cc(-c3ccc(-c4nn[n-]n4)cc3)c(Cl)c(Cl)c2C1=O ZINC000028130230 563051378 /nfs/dbraw/zinc/05/13/78/563051378.db2.gz LPJALUBFUZQUKN-QFIPXVFZSA-N -1 3 427.335 5.776 1 0 IKAFHM O=C([O-])C[C@H](c1c[nH]cn1)N(CCc1ccc(F)cc1)Cc1ccc(-c2ccccc2)cc1 ZINC000028133334 563051480 /nfs/dbraw/zinc/05/14/80/563051480.db2.gz LZKJDSUMNCVIKD-AREMUKBSSA-N -1 3 443.522 5.477 1 0 IKAFHM O=C([O-])C[C@H](c1cnc[nH]1)N(CCc1ccc(F)cc1)Cc1ccc(-c2ccccc2)cc1 ZINC000028133334 563051482 /nfs/dbraw/zinc/05/14/82/563051482.db2.gz LZKJDSUMNCVIKD-AREMUKBSSA-N -1 3 443.522 5.477 1 0 IKAFHM COc1ccc([C@@H](c2ccc3ccccc3c2[O-])c2ccc(C(C)C)cc(=O)c2O)cc1 ZINC000028219026 563051599 /nfs/dbraw/zinc/05/15/99/563051599.db2.gz CHWFVHOGGFETFZ-SANMLTNESA-N -1 3 426.512 5.923 1 0 IKAFHM O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2[O-])c1SCCCO ZINC000028370362 563053758 /nfs/dbraw/zinc/05/37/58/563053758.db2.gz DZEGTIULGLYTAR-UHFFFAOYSA-N -1 3 429.847 5.047 1 0 IKAFHM CCCc1c2ccn(C(C)C)c2ccc1OCCCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000028468417 563055379 /nfs/dbraw/zinc/05/53/79/563055379.db2.gz BEYOWLBQYUYGPR-UHFFFAOYSA-N -1 3 433.556 5.593 1 0 IKAFHM CCCc1c2ccn(C(C)C)c2ccc1OCCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000028468417 563055380 /nfs/dbraw/zinc/05/53/80/563055380.db2.gz BEYOWLBQYUYGPR-UHFFFAOYSA-N -1 3 433.556 5.593 1 0 IKAFHM CCCCN(CCCC)c1c(C(C)=O)cc(S(=O)(=O)[N-]c2ccccc2)cc1C(C)=O ZINC000028862778 563066912 /nfs/dbraw/zinc/06/69/12/563066912.db2.gz DBSJNTPAIJWRKK-UHFFFAOYSA-N -1 3 444.597 5.299 1 0 IKAFHM O=C(Nc1nccs1)c1c([O-])c2cccc(SC(F)(F)F)c2nc1C(F)(F)F ZINC000029234951 563077012 /nfs/dbraw/zinc/07/70/12/563077012.db2.gz KGRGWZSGMYADOC-UHFFFAOYSA-N -1 3 439.362 5.280 1 0 IKAFHM CCCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nnn[n-]3)cc1)CCCCC2 ZINC000029340062 563078379 /nfs/dbraw/zinc/07/83/79/563078379.db2.gz FZMKOFDCRNAIEL-UHFFFAOYSA-N -1 3 426.568 5.390 1 0 IKAFHM CCCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nn[n-]n3)cc1)CCCCC2 ZINC000029340062 563078381 /nfs/dbraw/zinc/07/83/81/563078381.db2.gz FZMKOFDCRNAIEL-UHFFFAOYSA-N -1 3 426.568 5.390 1 0 IKAFHM CC(C)c1cccc(C(C)C)c1NC(=O)[N-]c1nc2ccccc2n1-c1ncccc1Cl ZINC000029544945 563081645 /nfs/dbraw/zinc/08/16/45/563081645.db2.gz YIZBXGFREIYYAF-UHFFFAOYSA-N -1 3 447.970 6.965 1 0 IKAFHM CCCCCCc1ccc(N2CCc3cc(S(=O)(=O)[N-]c4ccccc4)ccc32)nc1 ZINC000029553300 563082007 /nfs/dbraw/zinc/08/20/07/563082007.db2.gz KZUJCSPPJKPBDV-UHFFFAOYSA-N -1 3 435.593 5.699 1 0 IKAFHM CCCc1cc(Cl)cc(-c2c3cc(C(F)(F)F)ccc3n(C)c(=O)c2CCO)c1[O-] ZINC000035259910 563089649 /nfs/dbraw/zinc/08/96/49/563089649.db2.gz IVTLKUQFHJADBK-UHFFFAOYSA-N -1 3 439.861 5.071 1 0 IKAFHM CCCCCn1c2ccc(O)cc2c2c1cc(-c1ccccc1Cl)c1c2C(=O)[N-]C1=O ZINC000036161202 563091445 /nfs/dbraw/zinc/09/14/45/563091445.db2.gz VIQZLWYWXRJJTI-UHFFFAOYSA-N -1 3 432.907 5.894 1 0 IKAFHM O=c1c2c([n-]n1-c1ccc(C(F)(F)F)cc1)N[C@@H](c1ncccc1C(F)(F)F)CC2 ZINC000038156645 563096753 /nfs/dbraw/zinc/09/67/53/563096753.db2.gz AOKAGHIHXNUEDC-CQSZACIVSA-N -1 3 428.336 5.110 1 0 IKAFHM CC(C)c1nccc2c1c(Sc1ccc(Cl)cc1Cl)c1n2CC[C@@H]1CC(=O)[O-] ZINC000038840233 563098430 /nfs/dbraw/zinc/09/84/30/563098430.db2.gz DUBMQSMUGSQPDR-GFCCVEGCSA-N -1 3 435.376 6.580 1 0 IKAFHM O=C([O-])C[C@H]1CCn2c3ccnc(CC4CC4)c3c(Sc3ccc(Cl)c(Cl)c3)c21 ZINC000040412302 563101846 /nfs/dbraw/zinc/10/18/46/563101846.db2.gz ZIQDFMUCLQBQDQ-CYBMUJFWSA-N -1 3 447.387 6.409 1 0 IKAFHM O=c1[n-]c(=S)[nH]c(-c2ccccc2Br)c1Cc1c(O)ccc2ccccc21 ZINC000040421599 563102294 /nfs/dbraw/zinc/10/22/94/563102294.db2.gz HBNAOJSCYHDPQO-UHFFFAOYSA-N -1 3 439.334 5.312 1 0 IKAFHM O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000040424598 563102972 /nfs/dbraw/zinc/10/29/72/563102972.db2.gz XNTWBZGYMMRPMI-UHFFFAOYSA-N -1 3 438.176 5.832 1 0 IKAFHM O=c1c(-c2ccc(O)cc2)coc2cc(OCCCCn3cnc4ccccc43)cc([O-])c12 ZINC000040425198 563103040 /nfs/dbraw/zinc/10/30/40/563103040.db2.gz LFHNDTNONBAILE-UHFFFAOYSA-N -1 3 442.471 5.080 1 0 IKAFHM C[C@@H]1CN(c2ccccc2Sc2ccc(-c3ccccc3)cc2)[C@H](C)CN1CC(=O)[O-] ZINC000040533299 563104491 /nfs/dbraw/zinc/10/44/91/563104491.db2.gz ZUESIWVTDPYSCL-WOJBJXKFSA-N -1 3 432.589 5.488 1 0 IKAFHM [O-]c1cc(Cl)ccc1Oc1ccc(Cl)cc1CN1CCN(Cc2ccccc2)CC1 ZINC000040556625 563104592 /nfs/dbraw/zinc/10/45/92/563104592.db2.gz PJCKFDSSGBQWHW-UHFFFAOYSA-N -1 3 443.374 5.809 1 0 IKAFHM COc1ccc(Cn2c(=O)c3ccccc3c(Br)c2-c2ccccc2[O-])cc1 ZINC000040880209 563109735 /nfs/dbraw/zinc/10/97/35/563109735.db2.gz CSCSMASWCQIKOG-UHFFFAOYSA-N -1 3 436.305 5.194 1 0 IKAFHM CCCCCc1cccc2c(C3=C(Br)C(=O)[N-]C3=O)c(-c3ccccc3)[nH]c21 ZINC000040917731 563111605 /nfs/dbraw/zinc/11/16/05/563111605.db2.gz NHFABUWLSPYULH-UHFFFAOYSA-N -1 3 437.337 5.330 1 0 IKAFHM CN(C)CCN1CCn2c3cc(C(=O)[O-])ccc3c(C3CCCCC3)c2-c2ccccc2C1 ZINC000040919231 563112122 /nfs/dbraw/zinc/11/21/22/563112122.db2.gz NCHXWGAACZWDTE-UHFFFAOYSA-N -1 3 445.607 5.431 1 0 IKAFHM CN(C(=O)C1CCN(Cc2ccc(C(=O)[O-])cc2)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000040934197 563112373 /nfs/dbraw/zinc/11/23/73/563112373.db2.gz WULKDELQFHIRBL-UHFFFAOYSA-N -1 3 444.531 5.052 1 0 IKAFHM CN(C)C[C@@H]1Cn2c3cc(C(=O)[O-])ccc3c(C3CCCCC3)c2-c2ccccc2N1C ZINC000040934203 563112386 /nfs/dbraw/zinc/11/23/86/563112386.db2.gz XDPSSGZQLPRRDF-HXUWFJFHSA-N -1 3 431.580 5.434 1 0 IKAFHM CC(C)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCC[C@@H]1CC(=O)[O-] ZINC000040937627 563113048 /nfs/dbraw/zinc/11/30/48/563113048.db2.gz BDEJQAFLKBWLRG-CYBMUJFWSA-N -1 3 449.403 6.970 1 0 IKAFHM CCCCCc1cc(O)cc([O-])c1Oc1cc(OC)cc2c1C(=O)O[C@]2(CCCC)OC ZINC000043010730 563116494 /nfs/dbraw/zinc/11/64/94/563116494.db2.gz SIFVKFNQJLVAOD-VWLOTQADSA-N -1 3 444.524 5.791 1 0 IKAFHM COc1ccc([C@@H]2CC(=O)c3c([O-])c4c(c(CC=C(C)C)c3O2)OC(C)(C)C=C4)c(O)c1 ZINC000043022023 563117274 /nfs/dbraw/zinc/11/72/74/563117274.db2.gz DODLFMXUTHHGIM-NRFANRHFSA-N -1 3 436.504 5.506 1 0 IKAFHM CCCCCc1c(C)c(O)cc([O-])c1Oc1cc(OC)cc2c1C(=O)O[C@@H]2CCCC ZINC000043063066 563117702 /nfs/dbraw/zinc/11/77/02/563117702.db2.gz PPWLKKHPVRDTIR-OAQYLSRUSA-N -1 3 428.525 6.342 1 0 IKAFHM CCCCC[C@@H](C)[C@H](C)c1cc([O-])c2c(c1)oc(=O)c1c2CCN(Cc2ccccc2)C1 ZINC000045202576 563125023 /nfs/dbraw/zinc/12/50/23/563125023.db2.gz UOFOOSVHSIWUSB-UXHICEINSA-N -1 3 433.592 6.377 1 0 IKAFHM CCCCC[C@@H](C)[C@@H](C)c1cc([O-])c2c(c1)oc(=O)c1c2CCN(Cc2ccccc2)C1 ZINC000045202572 563125065 /nfs/dbraw/zinc/12/50/65/563125065.db2.gz UOFOOSVHSIWUSB-WOJBJXKFSA-N -1 3 433.592 6.377 1 0 IKAFHM CCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc([O-])c(-c3ccc(Cl)c(Cl)c3)c2)C1 ZINC000045227437 563125540 /nfs/dbraw/zinc/12/55/40/563125540.db2.gz WTVYYYDSYOSLJO-QGZVFWFLSA-N -1 3 449.378 5.135 1 0 IKAFHM CCC(CC)[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1nccn1Cc1ccccc1 ZINC000045289360 563128612 /nfs/dbraw/zinc/12/86/12/563128612.db2.gz MZXOJLUENNUYRY-IBGZPJMESA-N -1 3 438.018 5.102 1 0 IKAFHM Clc1cccc(Cl)c1Cc1nnc([N-]c2ccc(COCc3ccoc3)cc2)o1 ZINC000049112841 563138348 /nfs/dbraw/zinc/13/83/48/563138348.db2.gz NOQMIWOFQMNCFA-UHFFFAOYSA-N -1 3 430.291 6.021 1 0 IKAFHM COc1c(O)c(CC=C(C)C)cc2c1Oc1cc([O-])c(CC=C(C)C)c(O)c1C(=O)O2 ZINC000064416900 563152900 /nfs/dbraw/zinc/15/29/00/563152900.db2.gz CZKGIKZOHGKQSQ-UHFFFAOYSA-N -1 3 426.465 5.154 1 0 IKAFHM CCc1nc2c(nc(C)c(C)c2C)n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[n-]3)ccc21 ZINC000072109927 563163327 /nfs/dbraw/zinc/16/33/27/563163327.db2.gz PQLMUUHTNDBXNG-QHCPKHFHSA-N -1 3 449.562 5.302 1 0 IKAFHM CCc1nc2c(nc(C)c(C)c2C)n1[C@H]1CCc2cc(-c3ccccc3-c3nn[n-]n3)ccc21 ZINC000072109927 563163328 /nfs/dbraw/zinc/16/33/28/563163328.db2.gz PQLMUUHTNDBXNG-QHCPKHFHSA-N -1 3 449.562 5.302 1 0 IKAFHM COc1cc(-c2ccc([O-])c(CC=C(C)C)c2)c(OC)c2oc3cc(OC)c(OC)cc3c21 ZINC000072176766 563165810 /nfs/dbraw/zinc/16/58/10/563165810.db2.gz JIAZRMIMWOXXHE-UHFFFAOYSA-N -1 3 448.515 6.502 1 0 in-vitro IKAFHM CO[C@H]1O[C@H](C)[C@@H](C)c2c(C)c([O-])c3c(c21)Oc1cc(O)c(C)c2c1[C@H]3O[C@H](C)[C@H]2C ZINC000072178523 563166269 /nfs/dbraw/zinc/16/62/69/563166269.db2.gz HRXCZVGVMBEMLM-LDIJAATQSA-N -1 3 426.509 5.599 1 0 IKAFHM Fc1ccc(-c2nn(-c3ccccc3)cc2-c2cc(-c3cccs3)[n-]c(=S)n2)cc1 ZINC000073223074 563170752 /nfs/dbraw/zinc/17/07/52/563170752.db2.gz NQQCSGQAHRXKMH-UHFFFAOYSA-N -1 3 430.533 6.153 1 0 IKAFHM Cc1cc(-c2noc(-c3ccc(Oc4ccccc4)cc3)n2)sc1CN1CC(C(=O)[O-])C1 ZINC000073273426 563171490 /nfs/dbraw/zinc/17/14/90/563171490.db2.gz NWILTLNGJXEDDX-UHFFFAOYSA-N -1 3 447.516 5.082 1 0 IKAFHM COc1cc(CN(C)C(=O)c2cc3c(cc2[O-])n[nH]c3Cc2cccc(C)c2)ccc1Cl ZINC000084710092 563177233 /nfs/dbraw/zinc/17/72/33/563177233.db2.gz ASZMRYJQUICXIL-UHFFFAOYSA-N -1 3 449.938 5.102 1 0 IKAFHM COc1cc(CN(C)C(=O)c2cc3c(Cc4cccc(C)c4)[nH][n-]c-3cc2=O)ccc1Cl ZINC000084710092 563177234 /nfs/dbraw/zinc/17/72/34/563177234.db2.gz ASZMRYJQUICXIL-UHFFFAOYSA-N -1 3 449.938 5.102 1 0 IKAFHM CC[C@@H](C)c1cc(-c2ccc(OCC(=O)[O-])c([C@H](C)CC)c2)ccc1OCCN(C)C ZINC000095555354 563181335 /nfs/dbraw/zinc/18/13/35/563181335.db2.gz AAKIKGCJVGKMAI-RTBURBONSA-N -1 3 427.585 5.784 1 0 IKAFHM Cc1ccc2[nH]c(-c3ccccc3)c([C@H]3C=C(c4ccccc4)Oc4nc[n-]c(=O)c43)c2c1 ZINC000095601442 563192793 /nfs/dbraw/zinc/19/27/93/563192793.db2.gz YUAJVHOYDVUMOL-OAQYLSRUSA-N -1 3 431.495 5.792 1 0 IKAFHM Cc1ccc2[nH]c(-c3ccccc3)c([C@@H]3C=C(c4ccccc4)Oc4nc[n-]c(=O)c43)c2c1 ZINC000095601441 563192829 /nfs/dbraw/zinc/19/28/29/563192829.db2.gz YUAJVHOYDVUMOL-NRFANRHFSA-N -1 3 431.495 5.792 1 0 IKAFHM CC(C)OC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000095665447 563194321 /nfs/dbraw/zinc/19/43/21/563194321.db2.gz XSCBAUNBSITGFU-UHFFFAOYSA-N -1 3 431.960 5.049 1 0 IKAFHM CC(C)(C)OC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000095665433 563194339 /nfs/dbraw/zinc/19/43/39/563194339.db2.gz MOVCEQJKJVEWQF-UHFFFAOYSA-N -1 3 445.987 5.439 1 0 IKAFHM O=C(NCc1cccc(-c2cccc(-c3cc4c[nH]ccc-4n3)c2[O-])c1)Nc1ccsc1 ZINC000101401120 581102125 /nfs/dbraw/zinc/10/21/25/581102125.db2.gz HZUIOGGLVUGKGW-UHFFFAOYSA-N -1 3 440.528 5.937 1 0 IKAFHM CCCCC[C@H](CC(=O)CCc1cc([O-])c(Oc2cccc(O)c2)c(OC)c1)OC(C)=O ZINC000085624687 291403100 /nfs/dbraw/zinc/40/31/00/291403100.db2.gz QAXBTECGARSWHP-OAQYLSRUSA-N -1 3 444.524 5.303 1 0 biogenic,in-vitro IKAFHM CCCC/C=C/CCCCCCCCCCCCCc1cc(=O)c2c([O-])cccc2o1 ZINC000013310878 560214260 /nfs/dbraw/zinc/21/42/60/560214260.db2.gz HXSMRENEMIEUND-AATRIKPKSA-N -1 3 426.641 8.469 1 0 biogenic,in-vitro IKAFHM CCCC/C=C/CCCCCCCCCCCCCc1cc([O-])c2c(=O)cccc-2o1 ZINC000013310878 560214262 /nfs/dbraw/zinc/21/42/62/560214262.db2.gz HXSMRENEMIEUND-AATRIKPKSA-N -1 3 426.641 8.469 1 0 biogenic,in-vitro IKAFHM CCc1cc(OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2F)c2c(n1)CCCC2 ZINC000000599878 562918575 /nfs/dbraw/zinc/91/85/75/562918575.db2.gz IFOUVXQJTBIQQW-UHFFFAOYSA-N -1 3 429.499 5.088 1 0 IKAFHM CCc1cc(OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2F)c2c(n1)CCCC2 ZINC000000599878 562918576 /nfs/dbraw/zinc/91/85/76/562918576.db2.gz IFOUVXQJTBIQQW-UHFFFAOYSA-N -1 3 429.499 5.088 1 0 IKAFHM Cc1cc(OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c(-c2ccccc2)c(C)n1 ZINC000001555026 562923025 /nfs/dbraw/zinc/92/30/25/562923025.db2.gz NZPOOSCEGSJCJK-UHFFFAOYSA-N -1 3 433.515 5.792 1 0 IKAFHM Cc1cc(OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c(-c2ccccc2)c(C)n1 ZINC000001555026 562923026 /nfs/dbraw/zinc/92/30/26/562923026.db2.gz NZPOOSCEGSJCJK-UHFFFAOYSA-N -1 3 433.515 5.792 1 0 IKAFHM COc1ccc(CN2CCC(c3cn(Cc4ccoc4)c4ccccc34)CC2)cc1C(=O)[O-] ZINC000003974502 562940217 /nfs/dbraw/zinc/94/02/17/562940217.db2.gz QFQZKRMOYRLZJU-UHFFFAOYSA-N -1 3 444.531 5.369 1 0 IKAFHM O=[S@@](Cc1cc(OCc2cc(Cl)cc(Cl)c2)ccn1)c1nc2cscc2[n-]1 ZINC000013448768 562987087 /nfs/dbraw/zinc/98/70/87/562987087.db2.gz GOQDQKDXCGYRSR-HHHXNRCGSA-N -1 3 438.361 5.213 1 0 IKAFHM CCCCCCOc1cc2oc(-c3ccccc3)cc([O-])c-2c(=O)c1OCCCCCC ZINC000013584622 562994932 /nfs/dbraw/zinc/99/49/32/562994932.db2.gz WDTZUMGRHADNGT-UHFFFAOYSA-N -1 3 438.564 7.084 1 0 IKAFHM Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc2[nH]cc(CN(C)C)c2c1 ZINC000013611714 562997853 /nfs/dbraw/zinc/99/78/53/562997853.db2.gz HEXLAVRQPAXCGQ-UHFFFAOYSA-N -1 3 433.986 5.207 1 0 IKAFHM CCCc1nc2c(cc(CN(C)C)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000013732092 563001922 /nfs/dbraw/zinc/00/19/22/563001922.db2.gz CAQRHLOFHNXARY-UHFFFAOYSA-N -1 3 441.575 5.772 1 0 IKAFHM CCCCc1nc2cc(Cl)ccc2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013828031 563010792 /nfs/dbraw/zinc/01/07/92/563010792.db2.gz XZUFBTOCSLJFCW-UHFFFAOYSA-N -1 3 442.954 5.928 1 0 IKAFHM CCCCc1nc2cc(Cl)ccc2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013828031 563010794 /nfs/dbraw/zinc/01/07/94/563010794.db2.gz XZUFBTOCSLJFCW-UHFFFAOYSA-N -1 3 442.954 5.928 1 0 IKAFHM O=C1C[C@H](c2ccc(Cl)cc2Cl)Cc2[n-]c3c(Cl)ccc(Cl)c3c(=O)c21 ZINC000027088694 563039165 /nfs/dbraw/zinc/03/91/65/563039165.db2.gz HYVLFMMPQDWTLH-MRVPVSSYSA-N -1 3 427.114 6.054 1 0 IKAFHM O=C1C[C@H](c2ccc(Cl)cc2Cl)Cc2nc3c(Cl)ccc(Cl)c3c([O-])c21 ZINC000027088694 563039167 /nfs/dbraw/zinc/03/91/67/563039167.db2.gz HYVLFMMPQDWTLH-MRVPVSSYSA-N -1 3 427.114 6.054 1 0 IKAFHM C[S@](=O)c1ccc([O-])c(CSc2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)c1 ZINC000027525664 563043289 /nfs/dbraw/zinc/04/32/89/563043289.db2.gz PLFOYPGRPXGVAE-SSEXGKCCSA-N -1 3 439.537 5.013 1 0 IKAFHM C[S@](=O)c1ccc([O-])c(CSc2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)c1 ZINC000027525664 563043290 /nfs/dbraw/zinc/04/32/90/563043290.db2.gz PLFOYPGRPXGVAE-SSEXGKCCSA-N -1 3 439.537 5.013 1 0 IKAFHM CCCc1nc2ccccc2c(SCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000027556611 563043831 /nfs/dbraw/zinc/04/38/31/563043831.db2.gz RAXBCOPHMYEVBG-UHFFFAOYSA-N -1 3 438.560 5.722 1 0 IKAFHM CCCc1nc2ccccc2c(SCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000027556611 563043832 /nfs/dbraw/zinc/04/38/32/563043832.db2.gz RAXBCOPHMYEVBG-UHFFFAOYSA-N -1 3 438.560 5.722 1 0 IKAFHM CC(C)c1nc2ccccc2c(SCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000027560630 563044208 /nfs/dbraw/zinc/04/42/08/563044208.db2.gz DHFQRERJLOPELA-UHFFFAOYSA-N -1 3 438.560 5.893 1 0 IKAFHM CC(C)c1nc2ccccc2c(SCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000027560630 563044209 /nfs/dbraw/zinc/04/42/09/563044209.db2.gz DHFQRERJLOPELA-UHFFFAOYSA-N -1 3 438.560 5.893 1 0 IKAFHM CC[C@H](c1ccc(Br)c([O-])c1)[C@H](CC)c1ccc(Br)c(O)c1 ZINC000027652295 563045247 /nfs/dbraw/zinc/04/52/47/563045247.db2.gz KMSZUVQDGFOTMZ-ZIAGYGMSSA-N -1 3 428.164 6.310 1 0 IKAFHM CC[C@@H](c1ccc(Br)c([O-])c1)[C@@H](CC)c1ccc(Br)c(O)c1 ZINC000027652291 563045261 /nfs/dbraw/zinc/04/52/61/563045261.db2.gz KMSZUVQDGFOTMZ-KBPBESRZSA-N -1 3 428.164 6.310 1 0 IKAFHM CCCc1nc(-c2ccccc2)c(C=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000028106875 563050737 /nfs/dbraw/zinc/05/07/37/563050737.db2.gz BCIWORMDOSIUMY-UHFFFAOYSA-N -1 3 448.530 5.211 1 0 IKAFHM CCCc1nc(-c2ccccc2)c(C=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000028106875 563050738 /nfs/dbraw/zinc/05/07/38/563050738.db2.gz BCIWORMDOSIUMY-UHFFFAOYSA-N -1 3 448.530 5.211 1 0 IKAFHM C[C@@]1(C2CCCC2)Cc2cc(OCCCCCc3nnn[n-]3)c(Cl)c(Cl)c2C1=O ZINC000028344178 563052975 /nfs/dbraw/zinc/05/29/75/563052975.db2.gz OMDAXCSLKUCCJH-NRFANRHFSA-N -1 3 437.371 5.234 1 0 IKAFHM C[C@@]1(C2CCCC2)Cc2cc(OCCCCCc3nn[n-]n3)c(Cl)c(Cl)c2C1=O ZINC000028344178 563052976 /nfs/dbraw/zinc/05/29/76/563052976.db2.gz OMDAXCSLKUCCJH-NRFANRHFSA-N -1 3 437.371 5.234 1 0 IKAFHM C[C@H]1CN(c2ccccc2Sc2ccc(-c3ccccc3)cc2)[C@@H](C)CN1CC(=O)[O-] ZINC000028363722 563053529 /nfs/dbraw/zinc/05/35/29/563053529.db2.gz ZUESIWVTDPYSCL-PMACEKPBSA-N -1 3 432.589 5.488 1 0 IKAFHM CCCc1c2ccn(CC(C)C)c2ccc1OCCCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000028469224 563055447 /nfs/dbraw/zinc/05/54/47/563055447.db2.gz RESDFTYHVKYNOW-UHFFFAOYSA-N -1 3 447.583 5.668 1 0 IKAFHM CCCc1c2ccn(CC(C)C)c2ccc1OCCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000028469224 563055448 /nfs/dbraw/zinc/05/54/48/563055448.db2.gz RESDFTYHVKYNOW-UHFFFAOYSA-N -1 3 447.583 5.668 1 0 IKAFHM CCCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nnn[n-]3)cc1)CCCCC2=O ZINC000029345295 563078641 /nfs/dbraw/zinc/07/86/41/563078641.db2.gz LZYWJUJVQJOAFW-UHFFFAOYSA-N -1 3 440.551 5.030 1 0 IKAFHM CCCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nn[n-]n3)cc1)CCCCC2=O ZINC000029345295 563078642 /nfs/dbraw/zinc/07/86/42/563078642.db2.gz LZYWJUJVQJOAFW-UHFFFAOYSA-N -1 3 440.551 5.030 1 0 IKAFHM COc1ccccc1-n1c([N-]C(=O)Nc2c(C(C)C)cccc2C(C)C)nc2ccccc21 ZINC000029483650 563081240 /nfs/dbraw/zinc/08/12/40/563081240.db2.gz GCYHJDAGQVPRHQ-UHFFFAOYSA-N -1 3 442.563 6.925 1 0 IKAFHM CC(C)CCn1c2ccc(O)cc2c2c1cc(-c1ccccc1Cl)c1c2C(=O)[N-]C1=O ZINC000036161235 563091453 /nfs/dbraw/zinc/09/14/53/563091453.db2.gz DDMDDWMWTMOXPE-UHFFFAOYSA-N -1 3 432.907 5.750 1 0 IKAFHM CO[C@H]1C(=O)c2c([O-])c3c(c(CC=C(C)C)c2O[C@@H]1c1ccccc1O)OC(C)(C)C=C3 ZINC000038840351 563098443 /nfs/dbraw/zinc/09/84/43/563098443.db2.gz ZQNJQIORXQNFHJ-RPBOFIJWSA-N -1 3 436.504 5.122 1 0 biogenic,in-vitro IKAFHM O=C([O-])C[C@H]1CCn2c3ccnc(C4CC4)c3c(Sc3ccc(Cl)c(Cl)c3)c21 ZINC000040411401 563101808 /nfs/dbraw/zinc/10/18/08/563101808.db2.gz CKSFQUBFLPPBLA-GFCCVEGCSA-N -1 3 433.360 6.334 1 0 IKAFHM COc1cc(/C=C/Cc2cc3sc(-c4ccccc4)cc3c([O-])c2)cc(OC)c1OC ZINC000040566158 563104878 /nfs/dbraw/zinc/10/48/78/563104878.db2.gz VSJSGPGUQAILOZ-VQHVLOKHSA-N -1 3 432.541 6.556 1 0 IKAFHM CCCCc1nc([C@H](C)c2ccc(-c3ccccc3-c3nnn[n-]3)cc2)n(CCCC)n1 ZINC000040639248 563105754 /nfs/dbraw/zinc/10/57/54/563105754.db2.gz REJXIIHCBYNERW-GOSISDBHSA-N -1 3 429.572 5.420 1 0 IKAFHM CCCCc1nc([C@H](C)c2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n(CCCC)n1 ZINC000040639248 563105756 /nfs/dbraw/zinc/10/57/56/563105756.db2.gz REJXIIHCBYNERW-GOSISDBHSA-N -1 3 429.572 5.420 1 0 IKAFHM O=C(Nc1cc(-c2ccccc2)c([O-])c(-c2ccccc2)c1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000040791301 563106775 /nfs/dbraw/zinc/10/67/75/563106775.db2.gz NVMIPOOAPIJFSG-NRFANRHFSA-N -1 3 440.543 5.456 1 0 IKAFHM CCCCCc1ccc2[nH]c(-c3ccccc3)c(C3=C(Br)C(=O)[N-]C3=O)c2c1 ZINC000040934228 563112365 /nfs/dbraw/zinc/11/23/65/563112365.db2.gz BGSDLXXDDXGAGO-UHFFFAOYSA-N -1 3 437.337 5.330 1 0 IKAFHM CCCCCc1c(C)c(O)cc([O-])c1Oc1cc(OC)cc2c1C(=O)O[C@H]2CCCC ZINC000043063071 563117756 /nfs/dbraw/zinc/11/77/56/563117756.db2.gz PPWLKKHPVRDTIR-NRFANRHFSA-N -1 3 428.525 6.342 1 0 IKAFHM [O-]c1csc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(OCc3ccccc3)cc2)n1 ZINC000043079791 563118510 /nfs/dbraw/zinc/11/85/10/563118510.db2.gz KNJOUWDAWPWWPJ-HSZRJFAPSA-N -1 3 427.529 5.046 1 0 IKAFHM CCCCC[C@H](C)[C@@H](C)c1cc([O-])c2c(c1)oc(=O)c1c2CCN(Cc2ccccc2)C1 ZINC000045202574 563125088 /nfs/dbraw/zinc/12/50/88/563125088.db2.gz UOFOOSVHSIWUSB-VQTJNVASSA-N -1 3 433.592 6.377 1 0 IKAFHM CN1CCN(c2ccc(-c3cc(-c4ccncc4)c(-c4ccc(Cl)c([O-])c4)o3)cc2)CC1 ZINC000045231200 563126188 /nfs/dbraw/zinc/12/61/88/563126188.db2.gz NGFHEDSOVGLBHE-UHFFFAOYSA-N -1 3 445.950 5.786 1 0 IKAFHM CN(C)c1ccc(-c2cccc3c2CC[C@H]2[C@H]3c3cc([O-])c(Cl)cc3CCN2C)cc1 ZINC000045355728 563132608 /nfs/dbraw/zinc/13/26/08/563132608.db2.gz KMTWVLYZPPJEHR-AHKZPQOWSA-N -1 3 432.995 5.713 1 0 IKAFHM CN1CCN(c2ccc(Nc3ccnc4ccc(-c5ccc(C(=O)[O-])cc5)cc43)cc2)CC1 ZINC000058538072 563144052 /nfs/dbraw/zinc/14/40/52/563144052.db2.gz XIUINWUMVJSAEM-UHFFFAOYSA-N -1 3 438.531 5.095 1 0 IKAFHM CCCCc1[n-]c2ccc(-c3ccco3)cc2c(=O)c1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000072106344 563163094 /nfs/dbraw/zinc/16/30/94/563163094.db2.gz HOQYFFDGCOMQQV-UHFFFAOYSA-N -1 3 444.575 5.829 1 0 IKAFHM CCc1nc2c(nc(CC)cc2C)n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[n-]3)ccc21 ZINC000072109276 563163234 /nfs/dbraw/zinc/16/32/34/563163234.db2.gz XXWXOZMPDDSSEJ-QHCPKHFHSA-N -1 3 449.562 5.247 1 0 IKAFHM CCc1nc2c(nc(CC)cc2C)n1[C@H]1CCc2cc(-c3ccccc3-c3nn[n-]n3)ccc21 ZINC000072109276 563163235 /nfs/dbraw/zinc/16/32/35/563163235.db2.gz XXWXOZMPDDSSEJ-QHCPKHFHSA-N -1 3 449.562 5.247 1 0 IKAFHM O=C([O-])Cc1ccc(CN2CCC(C(F)(F)F)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000073199754 563170262 /nfs/dbraw/zinc/17/02/62/563170262.db2.gz FTUJZURBRXPUEZ-UHFFFAOYSA-N -1 3 445.403 5.774 1 0 IKAFHM CCCCc1cc2c(cc1OCCOc1ccccc1)[n-]c(C)c(-c1c(C)noc1C)c2=O ZINC000073240566 563171375 /nfs/dbraw/zinc/17/13/75/563171375.db2.gz HMUKFOMTFLXXGZ-UHFFFAOYSA-N -1 3 446.547 5.909 1 0 IKAFHM Cc1ccc(-c2cc(-c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)[n-]c(=S)n2)cc1 ZINC000082157553 563173745 /nfs/dbraw/zinc/17/37/45/563173745.db2.gz YYKZGZGRBBCQBC-UHFFFAOYSA-N -1 3 438.531 6.773 1 0 IKAFHM CC[C@@H](C)c1cc(-c2ccc(OCC(=O)[O-])c([C@@H](C)CC)c2)ccc1OCCN(C)C ZINC000095555352 563181278 /nfs/dbraw/zinc/18/12/78/563181278.db2.gz AAKIKGCJVGKMAI-MOPGFXCFSA-N -1 3 427.585 5.784 1 0 IKAFHM [O-]c1cc2ccc1Oc1cc(ccc1O)CCc1ccc(c(O)c1)-c1ccc(O)cc1CC2 ZINC000095562535 563182661 /nfs/dbraw/zinc/18/26/61/563182661.db2.gz OYDRFFDAUDGDGJ-UHFFFAOYSA-N -1 3 440.495 5.852 1 0 IKAFHM Cc1ccc(C2=C[C@H](c3c4cc(C)ccc4[nH]c3-c3ccccc3)c3c(=O)[n-]cnc3O2)cc1 ZINC000095601585 563192889 /nfs/dbraw/zinc/19/28/89/563192889.db2.gz FMYRQEDBCGLKNT-JOCHJYFZSA-N -1 3 445.522 6.100 1 0 IKAFHM CC(C)c1nc2ccccc2c(SCc2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000095604205 563193658 /nfs/dbraw/zinc/19/36/58/563193658.db2.gz CHOLDTMKPVTJSZ-UHFFFAOYSA-N -1 3 438.560 5.893 1 0 IKAFHM CC(C)c1nc2ccccc2c(SCc2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000095604205 563193659 /nfs/dbraw/zinc/19/36/59/563193659.db2.gz CHOLDTMKPVTJSZ-UHFFFAOYSA-N -1 3 438.560 5.893 1 0 IKAFHM CC(=O)Oc1cccc(O)c1CCCCCCCCCCC(=O)c1c(O)cc([O-])cc1O ZINC000015113881 291396025 /nfs/dbraw/zinc/39/60/25/291396025.db2.gz QNGAJXWLOOFLKM-UHFFFAOYSA-N -1 3 444.524 5.371 1 0 biogenic,in-vitro IKAFHM CCC[C@@H](c1c2c(c([O-])c3c1O[C@@H](C)[C@H](C)C3=O)C=CC(C)(C)O2)[C@H](CC)C(=O)OC ZINC000095912386 291403939 /nfs/dbraw/zinc/40/39/39/291403939.db2.gz UILBCGWMPGXZEB-YHUYYLMFSA-N -1 3 430.541 5.259 1 0 biogenic,in-vitro IKAFHM COc1cc(CC[C@@H](CCc2ccccc2)OC(=S)[N-]CCc2ccccc2)ccc1O ZINC000003992373 562940520 /nfs/dbraw/zinc/94/05/20/562940520.db2.gz VUWXZDPCOJSJEV-XMMPIXPASA-N -1 3 449.616 5.469 1 0 IKAFHM CCCc1nc2c(nc(C)cc2C)n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[n-]3)ccc21 ZINC000011687575 562979085 /nfs/dbraw/zinc/97/90/85/562979085.db2.gz UVDVRIXPMWDFIT-QHCPKHFHSA-N -1 3 449.562 5.383 1 0 IKAFHM CCCc1nc2c(nc(C)cc2C)n1[C@H]1CCc2cc(-c3ccccc3-c3nn[n-]n3)ccc21 ZINC000011687575 562979086 /nfs/dbraw/zinc/97/90/86/562979086.db2.gz UVDVRIXPMWDFIT-QHCPKHFHSA-N -1 3 449.562 5.383 1 0 IKAFHM COc1cc([C@@H]2CC(=O)c3c([O-])c(CC=C(C)C)c4c(c3O2)C=CC(C)(C)O4)ccc1O ZINC000013339860 562985772 /nfs/dbraw/zinc/98/57/72/562985772.db2.gz KCZWDIXZSAGPCD-FQEVSTJZSA-N -1 3 436.504 5.506 1 0 in-vitro IKAFHM C[C@]12CC[C@@H]3c4ccc([O-])c(F)c4CC[C@H]3[C@@H]1CC[C@@]2(O)/C=C\I ZINC000013651621 562999300 /nfs/dbraw/zinc/99/93/00/562999300.db2.gz QUVCCEPCXNTKAQ-YWDAJHKNSA-N -1 3 442.312 5.067 1 0 IKAFHM CCc1cc(OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c2c(Cl)cccc2n1 ZINC000013728660 563001509 /nfs/dbraw/zinc/00/15/09/563001509.db2.gz YXSJOABXRQMQKO-UHFFFAOYSA-N -1 3 441.922 5.877 1 0 IKAFHM CCc1cc(OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c2c(Cl)cccc2n1 ZINC000013728660 563001510 /nfs/dbraw/zinc/00/15/10/563001510.db2.gz YXSJOABXRQMQKO-UHFFFAOYSA-N -1 3 441.922 5.877 1 0 IKAFHM Cc1cc(OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c2cc(Cl)ccc2n1 ZINC000013728670 563001527 /nfs/dbraw/zinc/00/15/27/563001527.db2.gz YRHGNIOGGTUMIF-UHFFFAOYSA-N -1 3 427.895 5.623 1 0 IKAFHM Cc1cc(OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c2cc(Cl)ccc2n1 ZINC000013728670 563001529 /nfs/dbraw/zinc/00/15/29/563001529.db2.gz YRHGNIOGGTUMIF-UHFFFAOYSA-N -1 3 427.895 5.623 1 0 IKAFHM CCc1cc(OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c2cccc(Cl)c2n1 ZINC000013728698 563001539 /nfs/dbraw/zinc/00/15/39/563001539.db2.gz NPGVOFMRLSPTIT-UHFFFAOYSA-N -1 3 441.922 5.877 1 0 IKAFHM CCc1cc(OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c2cccc(Cl)c2n1 ZINC000013728698 563001542 /nfs/dbraw/zinc/00/15/42/563001542.db2.gz NPGVOFMRLSPTIT-UHFFFAOYSA-N -1 3 441.922 5.877 1 0 IKAFHM CC(C)c1cccc(C(C)C)c1OC([O-])=NC(=O)NC(c1ccccc1)c1ccccc1 ZINC000013738015 563002801 /nfs/dbraw/zinc/00/28/01/563002801.db2.gz UFMLZOZFSIWYSN-UHFFFAOYSA-N -1 3 430.548 6.521 1 0 IKAFHM CC(C)c1cccc(C(C)C)c1OC(=O)N=C([O-])NC(c1ccccc1)c1ccccc1 ZINC000013738015 563002803 /nfs/dbraw/zinc/00/28/03/563002803.db2.gz UFMLZOZFSIWYSN-UHFFFAOYSA-N -1 3 430.548 6.521 1 0 IKAFHM CC(C)c1cccc(C(C)C)c1OC(=O)[N-]C(=O)NC(c1ccccc1)c1ccccc1 ZINC000013738015 563002805 /nfs/dbraw/zinc/00/28/05/563002805.db2.gz UFMLZOZFSIWYSN-UHFFFAOYSA-N -1 3 430.548 6.521 1 0 IKAFHM O=C([O-])c1ccc2c(c1)[C@H](SCCN1CCc3ccccc3C1)c1ccccc1CO2 ZINC000013861361 563012688 /nfs/dbraw/zinc/01/26/88/563012688.db2.gz QFSZUFOLEYHTBT-RUZDIDTESA-N -1 3 431.557 5.158 1 0 IKAFHM O=c1c(O)c([O-])c(-c2cccc(C(F)(F)F)c2)cc(-c2cccc(C(F)(F)F)c2)c1O ZINC000027420108 563042073 /nfs/dbraw/zinc/04/20/73/563042073.db2.gz HPEYRINIUWJGQP-UHFFFAOYSA-N -1 3 442.311 5.535 1 0 IKAFHM O=c1c([O-])c(O)c(-c2cccc(C(F)(F)F)c2)cc(-c2cccc(C(F)(F)F)c2)c1O ZINC000027420108 563042074 /nfs/dbraw/zinc/04/20/74/563042074.db2.gz HPEYRINIUWJGQP-UHFFFAOYSA-N -1 3 442.311 5.535 1 0 IKAFHM COc1cc(C(F)(F)F)ccc1C(=O)c1oc2cc(-c3ccccc3)cc([O-])c2c1C ZINC000027524038 563042991 /nfs/dbraw/zinc/04/29/91/563042991.db2.gz GCQXLFPKUMVZRL-UHFFFAOYSA-N -1 3 426.390 6.372 1 0 IKAFHM CCCCc1nc2ccccc2c(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000027560004 563044094 /nfs/dbraw/zinc/04/40/94/563044094.db2.gz TVMRZVKCRMGFBJ-UHFFFAOYSA-N -1 3 435.535 5.432 1 0 IKAFHM CCCCc1nc2ccccc2c(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000027560004 563044095 /nfs/dbraw/zinc/04/40/95/563044095.db2.gz TVMRZVKCRMGFBJ-UHFFFAOYSA-N -1 3 435.535 5.432 1 0 IKAFHM O=C([O-])C[C@@H](c1c[nH]cn1)N(CCc1ccc(F)cc1)Cc1ccc(-c2ccccc2)cc1 ZINC000028133337 563051431 /nfs/dbraw/zinc/05/14/31/563051431.db2.gz LZKJDSUMNCVIKD-SANMLTNESA-N -1 3 443.522 5.477 1 0 IKAFHM O=C([O-])C[C@@H](c1cnc[nH]1)N(CCc1ccc(F)cc1)Cc1ccc(-c2ccccc2)cc1 ZINC000028133337 563051432 /nfs/dbraw/zinc/05/14/32/563051432.db2.gz LZKJDSUMNCVIKD-SANMLTNESA-N -1 3 443.522 5.477 1 0 IKAFHM O=C([O-])C[C@H](c1c[nH]cn1)N(CCc1cccs1)Cc1ccc(-c2ccccc2)cc1 ZINC000028341086 563052881 /nfs/dbraw/zinc/05/28/81/563052881.db2.gz KPDHBCNLGPTZNC-XMMPIXPASA-N -1 3 431.561 5.399 1 0 IKAFHM O=C([O-])C[C@H](c1cnc[nH]1)N(CCc1cccs1)Cc1ccc(-c2ccccc2)cc1 ZINC000028341086 563052882 /nfs/dbraw/zinc/05/28/82/563052882.db2.gz KPDHBCNLGPTZNC-XMMPIXPASA-N -1 3 431.561 5.399 1 0 IKAFHM O=C1c2ccc([O-])cc2O[C@H](c2ccc(OCCN3CCCCC3)cc2)[C@@H]1c1ccccc1 ZINC000029215172 563076727 /nfs/dbraw/zinc/07/67/27/563076727.db2.gz INQOTYZWBQTUMF-IXCJQBJRSA-N -1 3 443.543 5.357 1 0 IKAFHM COc1ccc2c(c1)CCc1ccc(cc1)Oc1cc(ccc1[O-])CCc1ccc-2c(O)c1 ZINC000034275140 563085944 /nfs/dbraw/zinc/08/59/44/563085944.db2.gz DXBKBLARMLPGND-UHFFFAOYSA-N -1 3 438.523 6.450 1 0 IKAFHM CC(C)c1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CC[C@H]1CC(=O)[O-] ZINC000036402896 563095061 /nfs/dbraw/zinc/09/50/61/563095061.db2.gz LUZBJNWFEDHIPR-LBPRGKRZSA-N -1 3 435.376 6.580 1 0 IKAFHM O=C([O-])C[C@@H]1CCn2c3ccnc(CC4CC4)c3c(Sc3ccc(Cl)c(Cl)c3)c21 ZINC000040412299 563101852 /nfs/dbraw/zinc/10/18/52/563101852.db2.gz ZIQDFMUCLQBQDQ-ZDUSSCGKSA-N -1 3 447.387 6.409 1 0 IKAFHM COc1cc(/C=C\Cc2cc3sc(-c4ccccc4)cc3c([O-])c2)cc(OC)c1OC ZINC000040565486 563104870 /nfs/dbraw/zinc/10/48/70/563104870.db2.gz VSJSGPGUQAILOZ-CLFYSBASSA-N -1 3 432.541 6.556 1 0 IKAFHM CCCCCCn1cnc2cc([N-]S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)ccc21 ZINC000040878501 563109619 /nfs/dbraw/zinc/10/96/19/563109619.db2.gz WXMHVSIFCXNEJX-UHFFFAOYSA-N -1 3 427.614 5.960 1 0 IKAFHM O=C([O-])C[C@@H]1CCCn2c3ccnc(C4CC4)c3c(Sc3ccc(Cl)c(Cl)c3)c21 ZINC000040937564 563113085 /nfs/dbraw/zinc/11/30/85/563113085.db2.gz MXTAFTXCFGYNEF-ZDUSSCGKSA-N -1 3 447.387 6.724 1 0 IKAFHM CC(C)c1nccc2c1c(Sc1ccc(C(F)(F)F)cc1)c1n2CC[C@H]1CC(=O)[O-] ZINC000040943006 563113548 /nfs/dbraw/zinc/11/35/48/563113548.db2.gz TVWCZWHZDBNWDN-ZDUSSCGKSA-N -1 3 434.483 6.292 1 0 IKAFHM FC(F)(F)c1ccc(-c2ccc(Oc3cncc4sc(-c5nnn[n-]5)cc43)cc2)cc1 ZINC000040951012 563113881 /nfs/dbraw/zinc/11/38/81/563113881.db2.gz BWURVMSADXYTFO-UHFFFAOYSA-N -1 3 439.422 5.955 1 0 IKAFHM O=c1[n-]c(=S)[nH]c(-c2ccc(Br)cc2)c1Cc1c(O)ccc2ccccc21 ZINC000040951647 563114015 /nfs/dbraw/zinc/11/40/15/563114015.db2.gz HWHNRRGQEQLDQM-UHFFFAOYSA-N -1 3 439.334 5.312 1 0 IKAFHM O=C1OC(c2ccccc2)(c2ccccc2)CN1[C@@H]1CCN(Cc2ccc([O-])c(Cl)c2)C1 ZINC000045191269 563123711 /nfs/dbraw/zinc/12/37/11/563123711.db2.gz HGWPFRWLXBEFLE-JOCHJYFZSA-N -1 3 448.950 5.016 1 0 IKAFHM CN(C)CCOc1ccc(-c2cc(-c3ccc(Cl)c([O-])c3)c(-c3ccncc3)[nH]2)cc1 ZINC000045191428 563123747 /nfs/dbraw/zinc/12/37/47/563123747.db2.gz ZQBWDQSKGZBZBS-UHFFFAOYSA-N -1 3 433.939 5.710 1 0 IKAFHM O=C1OC(c2ccccc2)(c2ccccc2)CN1[C@H]1CCN(Cc2ccc([O-])c(Cl)c2)C1 ZINC000045191272 563123771 /nfs/dbraw/zinc/12/37/71/563123771.db2.gz HGWPFRWLXBEFLE-QFIPXVFZSA-N -1 3 448.950 5.016 1 0 IKAFHM COc1ccc([O-])c(C(=O)NCCc2ccc(OC)c(-c3ccc(C(C)(C)C)cc3)c2)c1 ZINC000045210956 563125300 /nfs/dbraw/zinc/12/53/00/563125300.db2.gz XFAGKDOXVYECFI-UHFFFAOYSA-N -1 3 433.548 5.346 1 0 IKAFHM CN1CCc2cc(Cl)c([O-])cc2[C@H]2c3cccc(-c4ccc5[nH]ccc5c4)c3CC[C@@H]21 ZINC000045366585 563133050 /nfs/dbraw/zinc/13/30/50/563133050.db2.gz VABAVSCPQUXQLP-AHKZPQOWSA-N -1 3 428.963 6.129 1 0 IKAFHM Clc1cccc(Cl)c1Cc1nnc([N-]c2ccc(COCc3ccncc3)cc2)o1 ZINC000049070612 563137734 /nfs/dbraw/zinc/13/77/34/563137734.db2.gz VOJYHFDFGYAGIL-UHFFFAOYSA-N -1 3 441.318 5.823 1 0 IKAFHM Clc1cccc(Cl)c1Cc1nnc([N-]c2ccc(COCc3ccccn3)cc2)o1 ZINC000049114069 563138644 /nfs/dbraw/zinc/13/86/44/563138644.db2.gz PEKYGRKUMMNXPS-UHFFFAOYSA-N -1 3 441.318 5.823 1 0 IKAFHM Nc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1Cl)[C@H](c1ccccc1)C(c1ccccc1)=N2 ZINC000066076900 563157598 /nfs/dbraw/zinc/15/75/98/563157598.db2.gz AMSWXNWELKBZLU-PMACEKPBSA-N -1 3 426.907 5.056 1 0 IKAFHM CC[C@H](COc1ccc2c(c1)CCC(CN1CC(C(=O)[O-])C1)=C2C)Cc1ccc(F)cc1 ZINC000073275267 563171569 /nfs/dbraw/zinc/17/15/69/563171569.db2.gz IVKLQMNIWSFZIG-IBGZPJMESA-N -1 3 437.555 5.210 1 0 IKAFHM [O-]c1cccc2[nH]c(-c3ccc(-c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)cc3)nc21 ZINC000073292187 563171903 /nfs/dbraw/zinc/17/19/03/563171903.db2.gz YMJXTAJUSIWTAS-UHFFFAOYSA-N -1 3 430.429 7.288 1 0 IKAFHM CN(C)CCOc1ccc(-c2ccc(OCC(=O)[O-])c(C(C)(C)C)c2)cc1C(C)(C)C ZINC000095555392 563181338 /nfs/dbraw/zinc/18/13/38/563181338.db2.gz BEMSTOKPAIAQKW-UHFFFAOYSA-N -1 3 427.585 5.352 1 0 IKAFHM Cc1ccc(C2=C[C@@H](c3c4cc(C)ccc4[nH]c3-c3ccccc3)c3c(=O)[n-]cnc3O2)cc1 ZINC000095601586 563192884 /nfs/dbraw/zinc/19/28/84/563192884.db2.gz FMYRQEDBCGLKNT-QFIPXVFZSA-N -1 3 445.522 6.100 1 0 IKAFHM Cc1ccc2[nH]c(-c3ccccc3)c([C@H]3C=C(c4ccccc4)Oc4[n-]c(=O)nc(N)c43)c2c1 ZINC000095602261 563193100 /nfs/dbraw/zinc/19/31/00/563193100.db2.gz CHTRVUDLPTYWJJ-HXUWFJFHSA-N -1 3 446.510 5.374 1 0 IKAFHM CCCCCNC(=O)NCc1cccc(-c2cccc(-c3cc4c[nH]ccc-4n3)c2[O-])c1 ZINC000101045359 581097927 /nfs/dbraw/zinc/09/79/27/581097927.db2.gz TUNCEYFRHAURAU-UHFFFAOYSA-N -1 3 428.536 5.544 1 0 IKAFHM O=C(NCc1cccc(-c2cccc(-c3cc4c[nH]ccc-4n3)c2[O-])c1)Nc1cccnc1 ZINC000101051504 581102094 /nfs/dbraw/zinc/10/20/94/581102094.db2.gz CXUPMQGDURWIQV-UHFFFAOYSA-N -1 3 435.487 5.271 1 0 IKAFHM O=C(NCc1cccc(-c2cccc(-c3cc4c[nH]ccc-4n3)c2[O-])c1)Nc1cccs1 ZINC000101041101 581102112 /nfs/dbraw/zinc/10/21/12/581102112.db2.gz HTBHDSXWUDLHTR-UHFFFAOYSA-N -1 3 440.528 5.937 1 0 IKAFHM O=C([N-]c1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn21)Nc1cccc(Cl)c1 ZINC000000594328 562918389 /nfs/dbraw/zinc/91/83/89/562918389.db2.gz DWZXGZAHYQTPLP-UHFFFAOYSA-N -1 3 439.262 5.488 1 0 IKAFHM CCCc1nc2c(nc(C)cc2C)n1[C@@H]1CCc2cc(-c3ccccc3-c3nnn[n-]3)ccc21 ZINC000003808218 562938389 /nfs/dbraw/zinc/93/83/89/562938389.db2.gz UVDVRIXPMWDFIT-HSZRJFAPSA-N -1 3 449.562 5.383 1 0 IKAFHM CCCc1nc2c(nc(C)cc2C)n1[C@@H]1CCc2cc(-c3ccccc3-c3nn[n-]n3)ccc21 ZINC000003808218 562938391 /nfs/dbraw/zinc/93/83/91/562938391.db2.gz UVDVRIXPMWDFIT-HSZRJFAPSA-N -1 3 449.562 5.383 1 0 IKAFHM O=C([O-])C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 ZINC000003816977 562938654 /nfs/dbraw/zinc/93/86/54/562938654.db2.gz NCUVDYUSQOEZTJ-UHFFFAOYSA-N -1 3 447.478 5.529 1 0 IKAFHM Cc1ccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C/c3cccc(F)c3)ccc2C)c(C)c1 ZINC000013121695 562984711 /nfs/dbraw/zinc/98/47/11/562984711.db2.gz UMORRMOJRUGTNW-FMIVXFBMSA-N -1 3 438.524 5.204 3 0 IKAFHM Cc1cccc(Cl)c1NC(=O)c1ccc2nc([N-]c3ccnc(Cl)n3)sc2c1 ZINC000013536613 562992430 /nfs/dbraw/zinc/99/24/30/562992430.db2.gz NFUSXTFZJOTLAC-UHFFFAOYSA-N -1 3 430.320 5.697 1 0 IKAFHM CCc1cc(OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c2cccc(OC)c2n1 ZINC000013728704 563001488 /nfs/dbraw/zinc/00/14/88/563001488.db2.gz CHPCFSFJWCGLPM-UHFFFAOYSA-N -1 3 437.503 5.232 1 0 IKAFHM CCc1cc(OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c2cccc(OC)c2n1 ZINC000013728704 563001490 /nfs/dbraw/zinc/00/14/90/563001490.db2.gz CHPCFSFJWCGLPM-UHFFFAOYSA-N -1 3 437.503 5.232 1 0 IKAFHM N=C(Nc1ccccc1)c1ccc(-c2ccc(C3=CC[C@](O)(CC(=O)[O-])CC3)cc2)cc1 ZINC000013739728 563002966 /nfs/dbraw/zinc/00/29/66/563002966.db2.gz GXEOQVIWYSZCJA-HHHXNRCGSA-N -1 3 426.516 5.564 1 0 IKAFHM CCc1cc(-c2ccc(Cl)cc2)c(O)cc1OCCCCCC(C)(C)c1nnn[n-]1 ZINC000013744119 563003671 /nfs/dbraw/zinc/00/36/71/563003671.db2.gz BWSZHEONLXBVNB-UHFFFAOYSA-N -1 3 428.964 5.705 1 0 IKAFHM CCc1cc(-c2ccc(Cl)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[n-]n1 ZINC000013744119 563003672 /nfs/dbraw/zinc/00/36/72/563003672.db2.gz BWSZHEONLXBVNB-UHFFFAOYSA-N -1 3 428.964 5.705 1 0 IKAFHM Cc1cc(C)c(NC(=O)N(Cc2cccc(-c3nnn[n-]3)c2)C2CCCCCC2)c(C)c1 ZINC000013780009 563006395 /nfs/dbraw/zinc/00/63/95/563006395.db2.gz NLMAYZNEYXRZJP-UHFFFAOYSA-N -1 3 432.572 5.549 1 0 IKAFHM Cc1cc(C)c(NC(=O)N(Cc2cccc(-c3nn[n-]n3)c2)C2CCCCCC2)c(C)c1 ZINC000013780009 563006396 /nfs/dbraw/zinc/00/63/96/563006396.db2.gz NLMAYZNEYXRZJP-UHFFFAOYSA-N -1 3 432.572 5.549 1 0 IKAFHM CCCCc1nc2cc(OC)ccc2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013828027 563010824 /nfs/dbraw/zinc/01/08/24/563010824.db2.gz HBSLDOJMYCLNOV-UHFFFAOYSA-N -1 3 438.535 5.283 1 0 IKAFHM CCCCc1nc2cc(OC)ccc2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013828027 563010826 /nfs/dbraw/zinc/01/08/26/563010826.db2.gz HBSLDOJMYCLNOV-UHFFFAOYSA-N -1 3 438.535 5.283 1 0 IKAFHM O=C([O-])c1ccc2c(c1)[C@@H](SCCN1CCc3ccccc3C1)c1ccccc1CO2 ZINC000013861362 563012675 /nfs/dbraw/zinc/01/26/75/563012675.db2.gz QFSZUFOLEYHTBT-VWLOTQADSA-N -1 3 431.557 5.158 1 0 IKAFHM O=c1c2ccc(OCCCCCCCCCCCCO)cc2occ1-c1ccc([O-])cc1 ZINC000013864235 563013525 /nfs/dbraw/zinc/01/35/25/563013525.db2.gz CVHNRYKUXXBTPD-UHFFFAOYSA-N -1 3 438.564 6.438 1 0 IKAFHM Cc1cc(C)c2nc(C3CC3)n([C@H]3CCc4cc(-c5ccccc5-c5nnn[n-]5)ccc43)c2n1 ZINC000013905502 563013897 /nfs/dbraw/zinc/01/38/97/563013897.db2.gz KVHCBGFGXVLDGD-QHCPKHFHSA-N -1 3 447.546 5.308 1 0 IKAFHM Cc1cc(C)c2nc(C3CC3)n([C@H]3CCc4cc(-c5ccccc5-c5nn[n-]n5)ccc43)c2n1 ZINC000013905502 563013898 /nfs/dbraw/zinc/01/38/98/563013898.db2.gz KVHCBGFGXVLDGD-QHCPKHFHSA-N -1 3 447.546 5.308 1 0 IKAFHM COc1cccc(CCc2ccc([O-])c(Oc3ccc(CCc4cccc(O)c4)cc3)c2)c1 ZINC000014649950 563014720 /nfs/dbraw/zinc/01/47/20/563014720.db2.gz NZWFFDGHEUMZNF-UHFFFAOYSA-N -1 3 440.539 6.469 1 0 IKAFHM COc1cccc2c1-c1ccc(cc1O)CCc1ccc([O-])c(c1)Oc1ccc(cc1)CC2 ZINC000014687280 563014859 /nfs/dbraw/zinc/01/48/59/563014859.db2.gz RHNBOYYLXZVNKD-UHFFFAOYSA-N -1 3 438.523 6.450 1 0 IKAFHM O=C1OC(c2ccc([O-])c(F)c2)(c2ccc(O)c(F)c2)c2ccc(Cl)c3cccc1c32 ZINC000014968898 563016465 /nfs/dbraw/zinc/01/64/65/563016465.db2.gz UHARVYHWAUZCLS-UHFFFAOYSA-N -1 3 438.813 5.645 1 0 IKAFHM O=C(NCCNc1ccc(F)cc1)[C@H](CC1CCCCC1)[N-]c1nc2cc(F)ccc2o1 ZINC000014971577 563016610 /nfs/dbraw/zinc/01/66/10/563016610.db2.gz AFEWGFHFGCROEB-NRFANRHFSA-N -1 3 442.510 5.085 1 0 IKAFHM CCc1cc(OCc2ccc(-c3ccc(Cl)cc3-c3nnn[n-]3)cc2)c2c(n1)CCCC2 ZINC000026577452 563033825 /nfs/dbraw/zinc/03/38/25/563033825.db2.gz MOVBBJNZSSHGBF-UHFFFAOYSA-N -1 3 445.954 5.602 1 0 IKAFHM CCc1cc(OCc2ccc(-c3ccc(Cl)cc3-c3nn[n-]n3)cc2)c2c(n1)CCCC2 ZINC000026577452 563033826 /nfs/dbraw/zinc/03/38/26/563033826.db2.gz MOVBBJNZSSHGBF-UHFFFAOYSA-N -1 3 445.954 5.602 1 0 IKAFHM c1ccc([C@@H](CCc2nnn[n-]2)Cc2ccc(OCc3ccc4ccccc4n3)cc2)cc1 ZINC000026672770 563035382 /nfs/dbraw/zinc/03/53/82/563035382.db2.gz IEISNEYLXZRMDU-QHCPKHFHSA-N -1 3 435.531 5.286 1 0 IKAFHM c1ccc([C@@H](CCc2nn[n-]n2)Cc2ccc(OCc3ccc4ccccc4n3)cc2)cc1 ZINC000026672770 563035383 /nfs/dbraw/zinc/03/53/83/563035383.db2.gz IEISNEYLXZRMDU-QHCPKHFHSA-N -1 3 435.531 5.286 1 0 IKAFHM O=C(CCC1CCCCC1)Nc1ccc(Br)c(NC(=O)c2ccc([O-])cc2)c1 ZINC000027078323 563039007 /nfs/dbraw/zinc/03/90/07/563039007.db2.gz PFZCTNVIVCAWQS-UHFFFAOYSA-N -1 3 445.357 5.706 1 0 IKAFHM O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2[n-]c3c(Cl)cc(Cl)cc3c(=O)c21 ZINC000027085746 563039202 /nfs/dbraw/zinc/03/92/02/563039202.db2.gz KSUUITLIBWHCEY-JTQLQIEISA-N -1 3 426.221 5.766 1 0 IKAFHM CCSc1nc2c(C)scc2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027310725 563041376 /nfs/dbraw/zinc/04/13/76/563041376.db2.gz QIFKQHNMBDPDSC-UHFFFAOYSA-N -1 3 432.578 5.414 1 0 IKAFHM CCSc1nc2c(C)scc2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027310725 563041378 /nfs/dbraw/zinc/04/13/78/563041378.db2.gz QIFKQHNMBDPDSC-UHFFFAOYSA-N -1 3 432.578 5.414 1 0 IKAFHM Cc1cc(C)c2nc(C(C)C)n([C@@H]3CCc4cc(-c5ccccc5-c5nnn[n-]5)ccc43)c2n1 ZINC000028105842 563050718 /nfs/dbraw/zinc/05/07/18/563050718.db2.gz HIAQXCKTDNPVSH-HSZRJFAPSA-N -1 3 449.562 5.554 1 0 IKAFHM Cc1cc(C)c2nc(C(C)C)n([C@@H]3CCc4cc(-c5ccccc5-c5nn[n-]n5)ccc43)c2n1 ZINC000028105842 563050719 /nfs/dbraw/zinc/05/07/19/563050719.db2.gz HIAQXCKTDNPVSH-HSZRJFAPSA-N -1 3 449.562 5.554 1 0 IKAFHM CCCCC1=NC2(CCCC2)CC(=O)N1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029393821 563079066 /nfs/dbraw/zinc/07/90/66/563079066.db2.gz QQXUWSWJFJDVQE-UHFFFAOYSA-N -1 3 442.567 5.168 1 0 IKAFHM CCCCC1=NC2(CCCC2)CC(=O)N1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029393821 563079068 /nfs/dbraw/zinc/07/90/68/563079068.db2.gz QQXUWSWJFJDVQE-UHFFFAOYSA-N -1 3 442.567 5.168 1 0 IKAFHM CCCCCCc1cccc(N2CCc3cc(S(=O)(=O)[N-]c4ccccc4)ccc32)n1 ZINC000029554035 563082024 /nfs/dbraw/zinc/08/20/24/563082024.db2.gz WBTMIQSFAXDMPJ-UHFFFAOYSA-N -1 3 435.593 5.699 1 0 IKAFHM COc1cc(C=C2c3cccc(Cl)c3C(=O)c3c(Cl)cccc32)cc(OC)c1[O-] ZINC000034106713 563085538 /nfs/dbraw/zinc/08/55/38/563085538.db2.gz SPRVBDBKXXKENP-UHFFFAOYSA-N -1 3 427.283 5.850 1 0 IKAFHM CCOc1ccc2ccccc2c1-c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1N ZINC000035000932 563088688 /nfs/dbraw/zinc/08/86/88/563088688.db2.gz XICMXLLBEAWGAU-UHFFFAOYSA-N -1 3 432.545 5.597 1 0 IKAFHM COc1cc(/C=C/Cc2cc3scc(-c4ccccc4)c3c([O-])c2)cc(OC)c1OC ZINC000040565774 563104863 /nfs/dbraw/zinc/10/48/63/563104863.db2.gz NAVVFPQXDVMBLD-VQHVLOKHSA-N -1 3 432.541 6.556 1 0 IKAFHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)ncn3Cc2ccccc2)c(C)c1C ZINC000040872710 563109019 /nfs/dbraw/zinc/10/90/19/563109019.db2.gz IRGZMWLWLHSDHZ-UHFFFAOYSA-N -1 3 433.577 5.428 1 0 IKAFHM COc1cc2ccc1-c1ccc(O)cc1CCc1ccc(cc1)Oc1cc(ccc1[O-])CC2 ZINC000040901183 563111050 /nfs/dbraw/zinc/11/10/50/563111050.db2.gz CIDCISRMIMBWEX-UHFFFAOYSA-N -1 3 438.523 6.450 1 0 IKAFHM CN(CCNc1ccc(Oc2ccc(-c3ncco3)cc2)cc1)Cc1ccc(C(=O)[O-])cc1 ZINC000040933926 563112284 /nfs/dbraw/zinc/11/22/84/563112284.db2.gz LHEHUKYYTOVVDI-UHFFFAOYSA-N -1 3 443.503 5.376 1 0 IKAFHM O=C([O-])C[C@H]1CCCn2c3ccnc(C4CC4)c3c(Sc3ccc(Cl)c(Cl)c3)c21 ZINC000040937566 563113075 /nfs/dbraw/zinc/11/30/75/563113075.db2.gz MXTAFTXCFGYNEF-CYBMUJFWSA-N -1 3 447.387 6.724 1 0 IKAFHM Cc1c(C(=O)[N-]C(=O)C2CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040938491 563113263 /nfs/dbraw/zinc/11/32/63/563113263.db2.gz HSMQETNNZLFVEW-UHFFFAOYSA-N -1 3 448.737 5.474 1 0 IKAFHM CCc1nccc2c1c(Sc1ccc(Cl)c(Cl)c1)c1n2CCC[C@@H]1CC(=O)[O-] ZINC000040939773 563113356 /nfs/dbraw/zinc/11/33/56/563113356.db2.gz JOFLGUSOCJPFHK-GFCCVEGCSA-N -1 3 435.376 6.409 1 0 IKAFHM CC(C)c1nccc2c1c(Sc1ccc(C(F)(F)F)cc1)c1n2CC[C@@H]1CC(=O)[O-] ZINC000040943008 563113531 /nfs/dbraw/zinc/11/35/31/563113531.db2.gz TVWCZWHZDBNWDN-CYBMUJFWSA-N -1 3 434.483 6.292 1 0 IKAFHM CCCCCc1cc(O)cc([O-])c1Oc1cc(OC)cc2c1C(=O)O[C@@]2(O)CCCC ZINC000043009264 563116351 /nfs/dbraw/zinc/11/63/51/563116351.db2.gz PDZXHKSZUJKQQU-DEOSSOPVSA-N -1 3 430.497 5.137 1 0 IKAFHM Cc1ccc(C2=NN(c3nc([O-])cs3)[C@@H](c3ccc(OCc4ccccc4)cc3)C2)cc1 ZINC000043013109 563116653 /nfs/dbraw/zinc/11/66/53/563116653.db2.gz QOCJGFVGVAIJLM-XMMPIXPASA-N -1 3 441.556 5.355 1 0 IKAFHM CN(C)CCOc1ccc(-c2cc(-c3ccncc3)c(-c3ccc(Cl)c([O-])c3)[nH]2)cc1 ZINC000045192223 563123894 /nfs/dbraw/zinc/12/38/94/563123894.db2.gz QBWKZQXJHJEIGV-UHFFFAOYSA-N -1 3 433.939 5.710 1 0 IKAFHM COc1cc(C2CCCCC2)c(OC)cc1C[C@H]1c2cc([O-])c(Cl)cc2CCN1C ZINC000045194054 563124194 /nfs/dbraw/zinc/12/41/94/563124194.db2.gz QEOHGLYJOMUWFA-QFIPXVFZSA-N -1 3 429.988 5.882 1 0 IKAFHM CCC(CC)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1nccn1Cc1ccccc1 ZINC000045289363 563128669 /nfs/dbraw/zinc/12/86/69/563128669.db2.gz MZXOJLUENNUYRY-LJQANCHMSA-N -1 3 438.018 5.102 1 0 IKAFHM Clc1cccc(Cl)c1Cc1nnc([N-]c2ccc(COCc3ccsc3)cc2)o1 ZINC000049072163 563137894 /nfs/dbraw/zinc/13/78/94/563137894.db2.gz RSPHNRQRYLOPNU-UHFFFAOYSA-N -1 3 446.359 6.489 1 0 IKAFHM O=C(CCc1ccc(-c2ccccc2)cc1)N1CCC[C@H]1C(=O)c1ncc(-c2ccco2)[n-]1 ZINC000064548482 563155410 /nfs/dbraw/zinc/15/54/10/563155410.db2.gz JGVHGBFUSQIZIW-QHCPKHFHSA-N -1 3 439.515 5.143 1 0 IKAFHM O=C(CCc1ccc(-c2ccccc2)cc1)N1CCC[C@H]1C(=O)c1nc(-c2ccco2)c[n-]1 ZINC000064548482 563155411 /nfs/dbraw/zinc/15/54/11/563155411.db2.gz JGVHGBFUSQIZIW-QHCPKHFHSA-N -1 3 439.515 5.143 1 0 IKAFHM CC(C)(C(=O)Nc1nccs1)[C@@H](c1ccccc1)c1ccc([O-])c(Br)c1 ZINC000072110039 563163340 /nfs/dbraw/zinc/16/33/40/563163340.db2.gz ZTKAFVSUBJCXFM-KRWDZBQOSA-N -1 3 431.355 5.408 1 0 IKAFHM COc1ccc2c(c1)oc(-c1ccc([O-])cc1)c2C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000072180137 563166768 /nfs/dbraw/zinc/16/67/68/563166768.db2.gz SLDDFPRQAVJYIJ-UHFFFAOYSA-N -1 3 434.444 5.071 1 0 IKAFHM Nc1ccc(-c2cc(-c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)[n-]c(=S)n2)cc1 ZINC000073223073 563170770 /nfs/dbraw/zinc/17/07/70/563170770.db2.gz HNHRNRGQMOJEQX-UHFFFAOYSA-N -1 3 439.519 6.047 1 0 IKAFHM [O-]c1cccc2[nH]c(-c3ccc(-c4ccc(-c5ccc(OC(F)(F)F)cc5)cc4)cc3)nc21 ZINC000073258547 563171459 /nfs/dbraw/zinc/17/14/59/563171459.db2.gz LOIPQNIEQRLUBO-UHFFFAOYSA-N -1 3 446.428 7.168 1 0 IKAFHM CC(C)CC(=O)c1c(=O)c2c(Cl)ccc(Cl)c2[n-]c1Nc1cc(F)ccc1F ZINC000084605172 563174258 /nfs/dbraw/zinc/17/42/58/563174258.db2.gz XIYUAOONUOYILI-UHFFFAOYSA-N -1 3 425.262 6.498 1 0 IKAFHM Cc1ccc(C2=C[C@H](c3c4ccccc4[nH]c3-c3ccccc3)c3c(N)nc(=O)[n-]c3O2)cc1 ZINC000095602495 563193216 /nfs/dbraw/zinc/19/32/16/563193216.db2.gz RXRKMCXPGQHDLD-HXUWFJFHSA-N -1 3 446.510 5.374 1 0 IKAFHM