smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCN1CC[N@H+](C)C2(CCN(c3ccc4c(Cl)ccc(Cl)c4n3)CC2)C1=O ZINC001164644902 719284252 /nfs/dbraw/zinc/28/42/52/719284252.db2.gz WLUXOYOLBBUJJE-UHFFFAOYSA-N 1 2 437.371 3.301 20 0 IGADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc4c(Cl)ccc(Cl)c4n3)CC2)C1=O ZINC001164644902 719284256 /nfs/dbraw/zinc/28/42/56/719284256.db2.gz WLUXOYOLBBUJJE-UHFFFAOYSA-N 1 2 437.371 3.301 20 0 IGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3ncn(C)c3n1)CC2 ZINC001164663910 719349135 /nfs/dbraw/zinc/34/91/35/719349135.db2.gz OYADOZLNHMMARW-UHFFFAOYSA-N 1 2 428.544 3.058 20 0 IGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3ncn(C)c3n1)CC2 ZINC001164663910 719349138 /nfs/dbraw/zinc/34/91/38/719349138.db2.gz OYADOZLNHMMARW-UHFFFAOYSA-N 1 2 428.544 3.058 20 0 IGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(NC(N)=S)cn1)CC2 ZINC001164658557 719355151 /nfs/dbraw/zinc/35/51/51/719355151.db2.gz IVEYAVUXNVCCGT-UHFFFAOYSA-N 1 2 447.612 3.432 20 0 IGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(NC(N)=S)cn1)CC2 ZINC001164658557 719355155 /nfs/dbraw/zinc/35/51/55/719355155.db2.gz IVEYAVUXNVCCGT-UHFFFAOYSA-N 1 2 447.612 3.432 20 0 IGADLO CCOC(=O)c1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c(OC)c1 ZINC001164673997 719515693 /nfs/dbraw/zinc/51/56/93/719515693.db2.gz XYTWSYOYYRJHCY-UHFFFAOYSA-N 1 2 443.519 3.277 20 0 IGADLO CCOC(=O)c1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c(OC)c1 ZINC001164673997 719515694 /nfs/dbraw/zinc/51/56/94/719515694.db2.gz XYTWSYOYYRJHCY-UHFFFAOYSA-N 1 2 443.519 3.277 20 0 IGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2ccc(Cl)cc2nc1Cl ZINC001164701524 719849604 /nfs/dbraw/zinc/84/96/04/719849604.db2.gz MIXVMUWRGNSHNU-VBKZILBWSA-N 1 2 439.343 3.169 20 0 IGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc2nc(Cl)cnc2cc1Cl ZINC001164698360 719851442 /nfs/dbraw/zinc/85/14/42/719851442.db2.gz BQEPQRLIOLELIL-ZUOKHONESA-N 1 2 439.343 3.169 20 0 IGADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1nc(Cl)cc(Cl)n1 ZINC001164723982 720312142 /nfs/dbraw/zinc/31/21/42/720312142.db2.gz PWSVIHJYDRTRIL-LBPRGKRZSA-N 1 2 433.290 3.346 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc(F)c5ccccc54)CC3)C2=O)cs1 ZINC001164820669 720371611 /nfs/dbraw/zinc/37/16/11/720371611.db2.gz QMHCLKPNGSZUDN-UHFFFAOYSA-N 1 2 439.560 3.452 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc(F)c5ccccc54)CC3)C2=O)cs1 ZINC001164820669 720371615 /nfs/dbraw/zinc/37/16/15/720371615.db2.gz QMHCLKPNGSZUDN-UHFFFAOYSA-N 1 2 439.560 3.452 20 0 IGADLO CSc1ccc(C(F)(F)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)nc1Cl ZINC001164828187 720397677 /nfs/dbraw/zinc/39/76/77/720397677.db2.gz ITFHUSUGMOMPMA-UHFFFAOYSA-N 1 2 425.896 3.248 20 0 IGADLO COC(=O)c1cc(Cl)nc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)c1 ZINC001164756450 720978305 /nfs/dbraw/zinc/97/83/05/720978305.db2.gz ILAPUDAMXRFNTE-CQSZACIVSA-N 1 2 440.878 3.326 20 0 IGADLO Cc1c(Cl)nc(C(C)C)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914668 721799837 /nfs/dbraw/zinc/79/98/37/721799837.db2.gz PMJPEABESQDTGP-JOCHJYFZSA-N 1 2 431.968 3.065 20 0 IGADLO Cc1c(Cl)nc(C(C)C)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914668 721799840 /nfs/dbraw/zinc/79/98/40/721799840.db2.gz PMJPEABESQDTGP-JOCHJYFZSA-N 1 2 431.968 3.065 20 0 IGADLO CC[C@H](C)c1nc(Cl)c(C)c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915660 721800077 /nfs/dbraw/zinc/80/00/77/721800077.db2.gz XHHBULBUYVFXMF-GAJHUEQPSA-N 1 2 445.995 3.455 20 0 IGADLO CC[C@H](C)c1nc(Cl)c(C)c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915660 721800079 /nfs/dbraw/zinc/80/00/79/721800079.db2.gz XHHBULBUYVFXMF-GAJHUEQPSA-N 1 2 445.995 3.455 20 0 IGADLO COC(=O)c1ccc(C(F)(F)N2CCC3(CC2)c2ncc(C)n2CC[N@H+]3C)c(Cl)n1 ZINC001164918421 721815199 /nfs/dbraw/zinc/81/51/99/721815199.db2.gz XBXWSFOQWIRNKH-UHFFFAOYSA-N 1 2 439.894 3.013 20 0 IGADLO COC(=O)c1ccc(C(F)(F)N2CCC3(CC2)c2ncc(C)n2CC[N@@H+]3C)c(Cl)n1 ZINC001164918421 721815200 /nfs/dbraw/zinc/81/52/00/721815200.db2.gz XBXWSFOQWIRNKH-UHFFFAOYSA-N 1 2 439.894 3.013 20 0 IGADLO FC(F)[C@@](F)(COc1cncc(Cl)n1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165045477 721960617 /nfs/dbraw/zinc/96/06/17/721960617.db2.gz VJOBYZDOQIAKDI-LJQANCHMSA-N 1 2 430.858 3.136 20 0 IGADLO O=C(NC1CCC1)C1C[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]2C1 ZINC001164972625 722084624 /nfs/dbraw/zinc/08/46/24/722084624.db2.gz LZJIQBMTYQDYPI-SFTDATJTSA-N 1 2 431.584 3.166 20 0 IGADLO O=C(NC1CCC1)C1C[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]2C1 ZINC001164972625 722084625 /nfs/dbraw/zinc/08/46/25/722084625.db2.gz LZJIQBMTYQDYPI-SFTDATJTSA-N 1 2 431.584 3.166 20 0 IGADLO Cc1nc(CN2CCO[C@@H]3CCN(c4nc(N5CCCC5)c(C)c[nH+]4)CC[C@H]32)cs1 ZINC001164991540 722173641 /nfs/dbraw/zinc/17/36/41/722173641.db2.gz XQJREUICEUHKDO-WOJBJXKFSA-N 1 2 428.606 3.020 20 0 IGADLO COC(=O)c1c(C)cc(C)[nH+]c1N1CC[C@@H]2[C@H](CC1)OCCN2Cc1csc(C)n1 ZINC001164992191 722181177 /nfs/dbraw/zinc/18/11/77/722181177.db2.gz RZJZWFMMNICPLT-MOPGFXCFSA-N 1 2 430.574 3.120 20 0 IGADLO F[C@H](Oc1cncc(Cl)n1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417983 718891000 /nfs/dbraw/zinc/89/10/00/718891000.db2.gz MHWMORIBKOKCMJ-ZBEGNZNMSA-N 1 2 442.676 3.246 20 0 IGADLO Cc1noc([C@@H]2C[C@@H]3CCN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@H]3O2)n1 ZINC001164653126 719298049 /nfs/dbraw/zinc/29/80/49/719298049.db2.gz OHBDMSSICFMOJO-YUXAGFNASA-N 1 2 432.528 3.083 20 0 IGADLO Cc1noc([C@@H]2C[C@@H]3CCN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@H]3O2)n1 ZINC001164653126 719298052 /nfs/dbraw/zinc/29/80/52/719298052.db2.gz OHBDMSSICFMOJO-YUXAGFNASA-N 1 2 432.528 3.083 20 0 IGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c1[C@@H](C)C(=O)N3)CC2 ZINC001164659519 719351042 /nfs/dbraw/zinc/35/10/42/719351042.db2.gz QDERFGAILHKEEI-QGZVFWFLSA-N 1 2 443.555 3.227 20 0 IGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c1[C@@H](C)C(=O)N3)CC2 ZINC001164659519 719351046 /nfs/dbraw/zinc/35/10/46/719351046.db2.gz QDERFGAILHKEEI-QGZVFWFLSA-N 1 2 443.555 3.227 20 0 IGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccnc(Cl)c2)ccn1 ZINC001164703293 719846101 /nfs/dbraw/zinc/84/61/01/719846101.db2.gz PXXLEFXUCBWCBE-XMSQKQJNSA-N 1 2 430.936 3.030 20 0 IGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2cccc(Cl)c2)ncn1 ZINC001164706538 719870716 /nfs/dbraw/zinc/87/07/16/719870716.db2.gz PTNYJVBIRVFGIC-GCJKJVERSA-N 1 2 430.936 3.030 20 0 IGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(SCc2ccccc2)ncn1 ZINC001164704955 719873867 /nfs/dbraw/zinc/87/38/67/719873867.db2.gz MKTQVNKNOAMAKX-CVDCTZTESA-N 1 2 442.585 3.002 20 0 IGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(SCc2ccccc2)n1 ZINC001164706597 719875613 /nfs/dbraw/zinc/87/56/13/719875613.db2.gz QENCFJBZABVWCT-XXBNENTESA-N 1 2 442.585 3.002 20 0 IGADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)COc1ccnc(Cl)c1 ZINC001164722276 720313857 /nfs/dbraw/zinc/31/38/57/720313857.db2.gz JYKBHSTUHHPLAQ-MRXNPFEDSA-N 1 2 427.883 3.220 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)cc(C5CC5)n4)CC3)C2=O)cs1 ZINC001164820774 720372143 /nfs/dbraw/zinc/37/21/43/720372143.db2.gz UNZGPUOIEFFARC-UHFFFAOYSA-N 1 2 447.008 3.086 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)cc(C5CC5)n4)CC3)C2=O)cs1 ZINC001164820774 720372148 /nfs/dbraw/zinc/37/21/48/720372148.db2.gz UNZGPUOIEFFARC-UHFFFAOYSA-N 1 2 447.008 3.086 20 0 IGADLO c1ncn2c1CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C[C@H](COCC1CC1)C2 ZINC001164757809 720975040 /nfs/dbraw/zinc/97/50/40/720975040.db2.gz QTTKQXYUMKXMHQ-QFIPXVFZSA-N 1 2 444.583 3.294 20 0 IGADLO c1ncn2c1CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C[C@H](COCC1CC1)C2 ZINC001164757809 720975054 /nfs/dbraw/zinc/97/50/54/720975054.db2.gz QTTKQXYUMKXMHQ-QFIPXVFZSA-N 1 2 444.583 3.294 20 0 IGADLO COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164790939 721423135 /nfs/dbraw/zinc/42/31/35/721423135.db2.gz YMOGJMMPDRKOOU-BETUJISGSA-N 1 2 428.892 3.091 20 0 IGADLO COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164790939 721423136 /nfs/dbraw/zinc/42/31/36/721423136.db2.gz YMOGJMMPDRKOOU-BETUJISGSA-N 1 2 428.892 3.091 20 0 IGADLO Cc1ccc(-c2nc3c(ncnc3N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)o2)cc1 ZINC001165009816 721714963 /nfs/dbraw/zinc/71/49/63/721714963.db2.gz VVLFMZJBANPYOH-UHFFFAOYSA-N 1 2 432.532 3.435 20 0 IGADLO Cc1ccc(-c2nc3c(ncnc3N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)o2)cc1 ZINC001165009816 721714968 /nfs/dbraw/zinc/71/49/68/721714968.db2.gz VVLFMZJBANPYOH-UHFFFAOYSA-N 1 2 432.532 3.435 20 0 IGADLO Cc1cc(Cl)ncc1C(F)(F)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164917474 721783472 /nfs/dbraw/zinc/78/34/72/721783472.db2.gz XICTUGSZCXGCRQ-FQEVSTJZSA-N 1 2 438.906 3.091 20 0 IGADLO Cc1cc(Cl)ncc1C(F)(F)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164917474 721783474 /nfs/dbraw/zinc/78/34/74/721783474.db2.gz XICTUGSZCXGCRQ-FQEVSTJZSA-N 1 2 438.906 3.091 20 0 IGADLO Cc1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(-c2cccs2)n1 ZINC001164915307 721797244 /nfs/dbraw/zinc/79/72/44/721797244.db2.gz WBAUTTZJKHIASW-QHCPKHFHSA-N 1 2 437.569 3.016 20 0 IGADLO Cc1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(-c2cccs2)n1 ZINC001164915307 721797247 /nfs/dbraw/zinc/79/72/47/721797247.db2.gz WBAUTTZJKHIASW-QHCPKHFHSA-N 1 2 437.569 3.016 20 0 IGADLO Cc1c(Cl)nc(CC(C)C)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913985 721799976 /nfs/dbraw/zinc/79/99/76/721799976.db2.gz JNGYNNLWFVGZPS-HSZRJFAPSA-N 1 2 445.995 3.140 20 0 IGADLO Cc1c(Cl)nc(CC(C)C)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913985 721799979 /nfs/dbraw/zinc/79/99/79/721799979.db2.gz JNGYNNLWFVGZPS-HSZRJFAPSA-N 1 2 445.995 3.140 20 0 IGADLO COC(=O)c1ccc(C(F)(F)N2CC[NH+](CCOc3ccccc3)CC2)nc1Cl ZINC001165044712 721954586 /nfs/dbraw/zinc/95/45/86/721954586.db2.gz OXCNBDYLHUGKAE-UHFFFAOYSA-N 1 2 425.863 3.268 20 0 IGADLO COC(=O)c1ccc(C(F)(F)N2CC[NH+](CCOc3ccccc3)CC2)c(Cl)n1 ZINC001165044833 721955798 /nfs/dbraw/zinc/95/57/98/721955798.db2.gz QLDKAKYOZWVSQC-UHFFFAOYSA-N 1 2 425.863 3.268 20 0 IGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(Oc3ccccc3)ncn1)CC2 ZINC001164945089 721970495 /nfs/dbraw/zinc/97/04/95/721970495.db2.gz ORMVLVUPICQHRX-UHFFFAOYSA-N 1 2 429.524 3.240 20 0 IGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(Oc3ccccc3)ncn1)CC2 ZINC001164945089 721970497 /nfs/dbraw/zinc/97/04/97/721970497.db2.gz ORMVLVUPICQHRX-UHFFFAOYSA-N 1 2 429.524 3.240 20 0 IGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc(-c3ccccc3F)nn1)CC2 ZINC001164946367 721979654 /nfs/dbraw/zinc/97/96/54/721979654.db2.gz DFLLKTMVPPTDAC-UHFFFAOYSA-N 1 2 431.515 3.254 20 0 IGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc(-c3ccccc3F)nn1)CC2 ZINC001164946367 721979657 /nfs/dbraw/zinc/97/96/57/721979657.db2.gz DFLLKTMVPPTDAC-UHFFFAOYSA-N 1 2 431.515 3.254 20 0 IGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nccnc1Oc1ccccc1)CC2 ZINC001164951083 721980440 /nfs/dbraw/zinc/98/04/40/721980440.db2.gz XPIWLONFHHBNHY-UHFFFAOYSA-N 1 2 429.524 3.240 20 0 IGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nccnc1Oc1ccccc1)CC2 ZINC001164951083 721980442 /nfs/dbraw/zinc/98/04/42/721980442.db2.gz XPIWLONFHHBNHY-UHFFFAOYSA-N 1 2 429.524 3.240 20 0 IGADLO F[C@@H](Oc1ccc(Cl)nn1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164415743 718891032 /nfs/dbraw/zinc/89/10/32/718891032.db2.gz AGPLLBZIIMHWRH-MEDUHNTESA-N 1 2 442.676 3.246 20 0 IGADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(-c4cccc5ccccc54)nn3)CC2)C1=O ZINC001164644102 719282178 /nfs/dbraw/zinc/28/21/78/719282178.db2.gz CUUVRLDUTDROLL-UHFFFAOYSA-N 1 2 445.567 3.056 20 0 IGADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(-c4cccc5ccccc54)nn3)CC2)C1=O ZINC001164644102 719282185 /nfs/dbraw/zinc/28/21/85/719282185.db2.gz CUUVRLDUTDROLL-UHFFFAOYSA-N 1 2 445.567 3.056 20 0 IGADLO CCOC(=O)c1cncnc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164663615 719344821 /nfs/dbraw/zinc/34/48/21/719344821.db2.gz ZAXRNQLBNOZCEV-UHFFFAOYSA-N 1 2 446.555 3.348 20 0 IGADLO CCOC(=O)c1cncnc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164663615 719344824 /nfs/dbraw/zinc/34/48/24/719344824.db2.gz ZAXRNQLBNOZCEV-UHFFFAOYSA-N 1 2 446.555 3.348 20 0 IGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3c1C(=O)NC3)CC2 ZINC001164664187 719350302 /nfs/dbraw/zinc/35/03/02/719350302.db2.gz TVHXQWJISQNRNU-UHFFFAOYSA-N 1 2 428.540 3.020 20 0 IGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3c1C(=O)NC3)CC2 ZINC001164664187 719350305 /nfs/dbraw/zinc/35/03/05/719350305.db2.gz TVHXQWJISQNRNU-UHFFFAOYSA-N 1 2 428.540 3.020 20 0 IGADLO COC(=O)c1c[nH]c2nc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)ccc12 ZINC001164674460 719502204 /nfs/dbraw/zinc/50/22/04/719502204.db2.gz XSHHZPCXOJTOOI-UHFFFAOYSA-N 1 2 438.503 3.360 20 0 IGADLO COC(=O)c1c[nH]c2nc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)ccc12 ZINC001164674460 719502209 /nfs/dbraw/zinc/50/22/09/719502209.db2.gz XSHHZPCXOJTOOI-UHFFFAOYSA-N 1 2 438.503 3.360 20 0 IGADLO CCOC(=O)c1ncnc(Cl)c1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164672677 719519642 /nfs/dbraw/zinc/51/96/42/719519642.db2.gz MPOBCHCIGYTXPJ-UHFFFAOYSA-N 1 2 448.926 3.317 20 0 IGADLO CCOC(=O)c1ncnc(Cl)c1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164672677 719519654 /nfs/dbraw/zinc/51/96/54/719519654.db2.gz MPOBCHCIGYTXPJ-UHFFFAOYSA-N 1 2 448.926 3.317 20 0 IGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cccc(-c2cccc(Cl)n2)n1 ZINC001164705956 719854895 /nfs/dbraw/zinc/85/48/95/719854895.db2.gz VMFHRBFIRPORTH-ZHRRBRCNSA-N 1 2 430.936 3.030 20 0 IGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(Cl)nc(-c2ccc(F)cc2)n1 ZINC001164699255 719871721 /nfs/dbraw/zinc/87/17/21/719871721.db2.gz BHYUGSIYKOTBRJ-VGSWGCGISA-N 1 2 448.926 3.169 20 0 IGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(SCc2ccccc2)ncn1 ZINC001164704953 719874053 /nfs/dbraw/zinc/87/40/53/719874053.db2.gz MKTQVNKNOAMAKX-AUSIDOKSSA-N 1 2 442.585 3.002 20 0 IGADLO CSc1nc(Cl)cc(C(F)(F)N2CCc3c([nH+]cn3C(C)C)[C@H]2CNC(C)=O)n1 ZINC001164720810 720311933 /nfs/dbraw/zinc/31/19/33/720311933.db2.gz ABXCNPAYIANQFC-CYBMUJFWSA-N 1 2 444.939 3.414 20 0 IGADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cc(Cl)cnc1Cl)C2 ZINC001164855966 720895445 /nfs/dbraw/zinc/89/54/45/720895445.db2.gz DTQBCUQRZBHYJK-UHFFFAOYSA-N 1 2 441.269 3.145 20 0 IGADLO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164873075 721219527 /nfs/dbraw/zinc/21/95/27/721219527.db2.gz PQQTXHFBPSSMNY-UHFFFAOYSA-N 1 2 446.889 3.494 20 0 IGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cnc3c(Cl)ncnc3c1)C2 ZINC001165008641 721711185 /nfs/dbraw/zinc/71/11/85/721711185.db2.gz KBVAQHLXRWWNBU-UHFFFAOYSA-N 1 2 436.898 3.065 20 0 IGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cnc3c(Cl)ncnc3c1)C2 ZINC001165008641 721711187 /nfs/dbraw/zinc/71/11/87/721711187.db2.gz KBVAQHLXRWWNBU-UHFFFAOYSA-N 1 2 436.898 3.065 20 0 IGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncccc1C(=O)N1CCc3ccccc31)C2 ZINC001165009139 721712562 /nfs/dbraw/zinc/71/25/62/721712562.db2.gz QBJIEMVEWLUHLA-UHFFFAOYSA-N 1 2 445.571 3.127 20 0 IGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncccc1C(=O)N1CCc3ccccc31)C2 ZINC001165009139 721712568 /nfs/dbraw/zinc/71/25/68/721712568.db2.gz QBJIEMVEWLUHLA-UHFFFAOYSA-N 1 2 445.571 3.127 20 0 IGADLO Cc1c(Cl)nc(C(C)(C)C)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914974 721793728 /nfs/dbraw/zinc/79/37/28/721793728.db2.gz SKLXPGPQMPKSHE-HSZRJFAPSA-N 1 2 445.995 3.239 20 0 IGADLO Cc1c(Cl)nc(C(C)(C)C)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914974 721793729 /nfs/dbraw/zinc/79/37/29/721793729.db2.gz SKLXPGPQMPKSHE-HSZRJFAPSA-N 1 2 445.995 3.239 20 0 IGADLO Cc1c(Cl)nc(C(C)(C)C)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914975 721794018 /nfs/dbraw/zinc/79/40/18/721794018.db2.gz SKLXPGPQMPKSHE-QHCPKHFHSA-N 1 2 445.995 3.239 20 0 IGADLO Cc1c(Cl)nc(C(C)(C)C)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914975 721794020 /nfs/dbraw/zinc/79/40/20/721794020.db2.gz SKLXPGPQMPKSHE-QHCPKHFHSA-N 1 2 445.995 3.239 20 0 IGADLO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)c12 ZINC001164941046 721923519 /nfs/dbraw/zinc/92/35/19/721923519.db2.gz ZQNAEVPTTFEOLB-UHFFFAOYSA-N 1 2 449.555 3.314 20 0 IGADLO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)c12 ZINC001164941046 721923522 /nfs/dbraw/zinc/92/35/22/721923522.db2.gz ZQNAEVPTTFEOLB-UHFFFAOYSA-N 1 2 449.555 3.314 20 0 IGADLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N5CCCCC5)[nH+]cn4)CC[C@H]32)cs1 ZINC001164988143 722184997 /nfs/dbraw/zinc/18/49/97/722184997.db2.gz MASOMJXKRCEJEK-WOJBJXKFSA-N 1 2 428.606 3.102 20 0 IGADLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N5CCCCC5)nc[nH+]4)CC[C@H]32)cs1 ZINC001164988143 722184998 /nfs/dbraw/zinc/18/49/98/722184998.db2.gz MASOMJXKRCEJEK-WOJBJXKFSA-N 1 2 428.606 3.102 20 0 IGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(OC)nc(COC)n1)CC2 ZINC001164663008 719356311 /nfs/dbraw/zinc/35/63/11/719356311.db2.gz BTNDSUANXUGIOV-UHFFFAOYSA-N 1 2 448.571 3.326 20 0 IGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(OC)nc(COC)n1)CC2 ZINC001164663008 719356315 /nfs/dbraw/zinc/35/63/15/719356315.db2.gz BTNDSUANXUGIOV-UHFFFAOYSA-N 1 2 448.571 3.326 20 0 IGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc2nc(Cl)cnc2cc1Cl ZINC001164698354 719851268 /nfs/dbraw/zinc/85/12/68/719851268.db2.gz BQEPQRLIOLELIL-RBZFPXEDSA-N 1 2 439.343 3.169 20 0 IGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C(C)(C)C)nc(C(C)(C)C)n1 ZINC001164700599 719867100 /nfs/dbraw/zinc/86/71/00/719867100.db2.gz DZQUGTZVYDGTOJ-OSPHWJPCSA-N 1 2 432.609 3.304 20 0 IGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncccc1OCc1ccc(F)cc1 ZINC001164701808 719871610 /nfs/dbraw/zinc/87/16/10/719871610.db2.gz HSSSPDKCXKETJZ-HYBUGGRVSA-N 1 2 443.519 3.032 20 0 IGADLO COc1ccc(C(F)(F)N2CCc3c([nH+]cn3C(C)C)[C@@H]2CNC(C)=O)c(Cl)n1 ZINC001164725536 720313776 /nfs/dbraw/zinc/31/37/76/720313776.db2.gz XAEUZQBPDBYGJN-HNNXBMFYSA-N 1 2 427.883 3.306 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5ccc(C)cc54)CC3)C2=O)cs1 ZINC001164823080 720364965 /nfs/dbraw/zinc/36/49/65/720364965.db2.gz AGCSZQMMYGCEDX-UHFFFAOYSA-N 1 2 436.585 3.016 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5ccc(C)cc54)CC3)C2=O)cs1 ZINC001164823080 720364977 /nfs/dbraw/zinc/36/49/77/720364977.db2.gz AGCSZQMMYGCEDX-UHFFFAOYSA-N 1 2 436.585 3.016 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN([C@@H](F)c4ccnc(Cl)c4)CC3)C2=O)cs1 ZINC001164820371 720369342 /nfs/dbraw/zinc/36/93/42/720369342.db2.gz PAHKSBYUWXMCMW-GOSISDBHSA-N 1 2 437.972 3.277 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN([C@@H](F)c4ccnc(Cl)c4)CC3)C2=O)cs1 ZINC001164820371 720369348 /nfs/dbraw/zinc/36/93/48/720369348.db2.gz PAHKSBYUWXMCMW-GOSISDBHSA-N 1 2 437.972 3.277 20 0 IGADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)C2 ZINC001164855066 720896644 /nfs/dbraw/zinc/89/66/44/720896644.db2.gz ADVFXMSMMJZZAY-UHFFFAOYSA-N 1 2 446.889 3.369 20 0 IGADLO COC(=O)c1cnc(Cl)cc1C(F)(F)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164757609 720980115 /nfs/dbraw/zinc/98/01/15/720980115.db2.gz PLDHUFBUSZLLHH-AWEZNQCLSA-N 1 2 440.878 3.326 20 0 IGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncccc2C(=O)N2CCc3ccccc32)CC1 ZINC001164919027 721819045 /nfs/dbraw/zinc/81/90/45/721819045.db2.gz YTWMPAICSLYXAC-UHFFFAOYSA-N 1 2 442.567 3.231 20 0 IGADLO COC(=O)/C=C/c1cc(C)c[nH+]c1N1CC[C@@H]2OCCN(Cc3csc(C)n3)[C@H]2CC1 ZINC001164993782 722184459 /nfs/dbraw/zinc/18/44/59/722184459.db2.gz WZBKSDQVKRFVGG-OFSRWKALSA-N 1 2 442.585 3.211 20 0 IGADLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N5CCC[C@@H](C)C5)nc[nH+]4)CC[C@@H]32)cs1 ZINC001164987359 722185849 /nfs/dbraw/zinc/18/58/49/722185849.db2.gz JXVTXELMANLOBS-JRGCBEDISA-N 1 2 442.633 3.348 20 0 IGADLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N5CCC[C@@H](C)C5)[nH+]cn4)CC[C@@H]32)cs1 ZINC001164987359 722185850 /nfs/dbraw/zinc/18/58/50/722185850.db2.gz JXVTXELMANLOBS-JRGCBEDISA-N 1 2 442.633 3.348 20 0 IGADLO COc1cc(CNc2nc(NCc3ccnc(OC)c3)c(Br)c[nH+]2)ccn1 ZINC000079046789 569323093 /nfs/dbraw/zinc/32/30/93/569323093.db2.gz VPCRRUSZRFLNLJ-UHFFFAOYSA-N 1 2 431.294 3.271 20 0 IGADLO F[C@H](Oc1ccc(Cl)nn1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164415744 718891040 /nfs/dbraw/zinc/89/10/40/718891040.db2.gz AGPLLBZIIMHWRH-ZBEGNZNMSA-N 1 2 442.676 3.246 20 0 IGADLO F[C@@H](Oc1ccc(Cl)nn1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164415741 718891164 /nfs/dbraw/zinc/89/11/64/718891164.db2.gz AGPLLBZIIMHWRH-BDJLRTHQSA-N 1 2 442.676 3.246 20 0 IGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(Cl)cc2)nn1 ZINC001164699378 719843391 /nfs/dbraw/zinc/84/33/91/719843391.db2.gz HWRTUWZPMSISIE-XMSQKQJNSA-N 1 2 430.936 3.030 20 0 IGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(C2CCCCC2)n1 ZINC001164707176 719877890 /nfs/dbraw/zinc/87/78/90/719877890.db2.gz QYHAGZURQTYLEF-VGSWGCGISA-N 1 2 436.984 3.410 20 0 IGADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1nc(Cl)cc(Cl)n1 ZINC001164723977 720313131 /nfs/dbraw/zinc/31/31/31/720313131.db2.gz PWSVIHJYDRTRIL-GFCCVEGCSA-N 1 2 433.290 3.346 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C)c5ccccc5n4)CC3)C2=O)cs1 ZINC001164824846 720368344 /nfs/dbraw/zinc/36/83/44/720368344.db2.gz ONPAIYIVRQZMCF-UHFFFAOYSA-N 1 2 436.585 3.016 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C)c5ccccc5n4)CC3)C2=O)cs1 ZINC001164824846 720368350 /nfs/dbraw/zinc/36/83/50/720368350.db2.gz ONPAIYIVRQZMCF-UHFFFAOYSA-N 1 2 436.585 3.016 20 0 IGADLO CCSc1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c1 ZINC001164820392 720384803 /nfs/dbraw/zinc/38/48/03/720384803.db2.gz ALZAINYQRXIIFE-UHFFFAOYSA-N 1 2 431.631 3.272 20 0 IGADLO CCSc1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c1 ZINC001164820392 720384812 /nfs/dbraw/zinc/38/48/12/720384812.db2.gz ALZAINYQRXIIFE-UHFFFAOYSA-N 1 2 431.631 3.272 20 0 IGADLO COC[C@@]12CCC[C@@H]1CN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001164847396 720789294 /nfs/dbraw/zinc/78/92/94/720789294.db2.gz MTGYAFPVGAEOIU-GJZUVCINSA-N 1 2 434.584 3.293 20 0 IGADLO FC(F)[C@@](F)(COc1cncc(Cl)n1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164758962 720980888 /nfs/dbraw/zinc/98/08/88/720980888.db2.gz XRWGFMVSRHUINA-IFXJQAMLSA-N 1 2 445.873 3.195 20 0 IGADLO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164771071 721275798 /nfs/dbraw/zinc/27/57/98/721275798.db2.gz ZDTMSJMUZOXVAN-LBPRGKRZSA-N 1 2 438.891 3.271 20 0 IGADLO COc1ccc(OC)c(-c2ccc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)nn2)c1 ZINC001165011490 721717028 /nfs/dbraw/zinc/71/70/28/721717028.db2.gz QSGNAIYXFPRCBW-UHFFFAOYSA-N 1 2 437.548 3.003 20 0 IGADLO COc1ccc(OC)c(-c2ccc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)nn2)c1 ZINC001165011490 721717032 /nfs/dbraw/zinc/71/70/32/721717032.db2.gz QSGNAIYXFPRCBW-UHFFFAOYSA-N 1 2 437.548 3.003 20 0 IGADLO CCOC(=O)c1cc2c(N3CCC4(CC3)c3ncc(C)n3CC[N@H+]4C)[nH]c(C)c(C)c-2n1 ZINC001164917020 721817268 /nfs/dbraw/zinc/81/72/68/721817268.db2.gz AHAOKYRMKAXFEI-UHFFFAOYSA-N 1 2 436.560 3.302 20 0 IGADLO CCOC(=O)c1cc2c(N3CCC4(CC3)c3ncc(C)n3CC[N@@H+]4C)[nH]c(C)c(C)c-2n1 ZINC001164917020 721817270 /nfs/dbraw/zinc/81/72/70/721817270.db2.gz AHAOKYRMKAXFEI-UHFFFAOYSA-N 1 2 436.560 3.302 20 0 IGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)nc(Oc3cccc(F)c3)n2)CC1 ZINC001164917151 721817664 /nfs/dbraw/zinc/81/76/64/721817664.db2.gz CHQRCGOKEFDNNV-UHFFFAOYSA-N 1 2 443.914 3.402 20 0 IGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc(OC)n1)CC2 ZINC001164663798 719348263 /nfs/dbraw/zinc/34/82/63/719348263.db2.gz LYTLAAQBJAHGPC-UHFFFAOYSA-N 1 2 439.951 3.228 20 0 IGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc(OC)n1)CC2 ZINC001164663798 719348268 /nfs/dbraw/zinc/34/82/68/719348268.db2.gz LYTLAAQBJAHGPC-UHFFFAOYSA-N 1 2 439.951 3.228 20 0 IGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(=O)NC)ccn1)CC2 ZINC001164659505 719352136 /nfs/dbraw/zinc/35/21/36/719352136.db2.gz PMUYCHSRSSDMPN-UHFFFAOYSA-N 1 2 430.556 3.136 20 0 IGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(=O)NC)ccn1)CC2 ZINC001164659505 719352139 /nfs/dbraw/zinc/35/21/39/719352139.db2.gz PMUYCHSRSSDMPN-UHFFFAOYSA-N 1 2 430.556 3.136 20 0 IGADLO CCCNC(=O)c1cccnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164670239 719520927 /nfs/dbraw/zinc/52/09/27/719520927.db2.gz BYBYRTPJKVQQFE-UHFFFAOYSA-N 1 2 426.536 3.232 20 0 IGADLO CCCNC(=O)c1cccnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164670239 719520930 /nfs/dbraw/zinc/52/09/30/719520930.db2.gz BYBYRTPJKVQQFE-UHFFFAOYSA-N 1 2 426.536 3.232 20 0 IGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cccc(-c2cccc(Cl)n2)n1 ZINC001164705954 719855162 /nfs/dbraw/zinc/85/51/62/719855162.db2.gz VMFHRBFIRPORTH-KSFYIVLOSA-N 1 2 430.936 3.030 20 0 IGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(Cl)nc(-c2ccc(F)cc2)n1 ZINC001164699254 719871850 /nfs/dbraw/zinc/87/18/50/719871850.db2.gz BHYUGSIYKOTBRJ-VGOFRKELSA-N 1 2 448.926 3.169 20 0 IGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc2cc(Cl)ncc2cc1OC ZINC001164699026 719880557 /nfs/dbraw/zinc/88/05/57/719880557.db2.gz GQQJWULJITUJED-HTAPYJJXSA-N 1 2 433.936 3.130 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN([C@H](F)c4ccnc(Cl)c4)CC3)C2=O)cs1 ZINC001164820372 720369016 /nfs/dbraw/zinc/36/90/16/720369016.db2.gz PAHKSBYUWXMCMW-SFHVURJKSA-N 1 2 437.972 3.277 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN([C@H](F)c4ccnc(Cl)c4)CC3)C2=O)cs1 ZINC001164820372 720369022 /nfs/dbraw/zinc/36/90/22/720369022.db2.gz PAHKSBYUWXMCMW-SFHVURJKSA-N 1 2 437.972 3.277 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(Cl)nc(C)c4C)CC3)C2=O)cs1 ZINC001164819756 720371749 /nfs/dbraw/zinc/37/17/49/720371749.db2.gz IFEMZPQFCYMOBT-UHFFFAOYSA-N 1 2 434.009 3.430 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(Cl)nc(C)c4C)CC3)C2=O)cs1 ZINC001164819756 720371761 /nfs/dbraw/zinc/37/17/61/720371761.db2.gz IFEMZPQFCYMOBT-UHFFFAOYSA-N 1 2 434.009 3.430 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C)c(Cl)cc4C)CC3)C2=O)cs1 ZINC001164819297 720374367 /nfs/dbraw/zinc/37/43/67/720374367.db2.gz BGEVLFJUGDUTNJ-UHFFFAOYSA-N 1 2 434.009 3.430 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C)c(Cl)cc4C)CC3)C2=O)cs1 ZINC001164819297 720374372 /nfs/dbraw/zinc/37/43/72/720374372.db2.gz BGEVLFJUGDUTNJ-UHFFFAOYSA-N 1 2 434.009 3.430 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cccc(OCC(C)C)n4)CC3)C2=O)cs1 ZINC001164819693 720375704 /nfs/dbraw/zinc/37/57/04/720375704.db2.gz GDOYXWPPQKCUCV-UHFFFAOYSA-N 1 2 443.617 3.195 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cccc(OCC(C)C)n4)CC3)C2=O)cs1 ZINC001164819693 720375711 /nfs/dbraw/zinc/37/57/11/720375711.db2.gz GDOYXWPPQKCUCV-UHFFFAOYSA-N 1 2 443.617 3.195 20 0 IGADLO Cc1csc2cnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)nc12 ZINC001164819225 720378382 /nfs/dbraw/zinc/37/83/82/720378382.db2.gz AEBVAFJNJFRCLF-UHFFFAOYSA-N 1 2 442.614 3.078 20 0 IGADLO Cc1csc2cnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)nc12 ZINC001164819225 720378390 /nfs/dbraw/zinc/37/83/90/720378390.db2.gz AEBVAFJNJFRCLF-UHFFFAOYSA-N 1 2 442.614 3.078 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C)cc5cccnc54)CC3)C2=O)cs1 ZINC001164826124 720383068 /nfs/dbraw/zinc/38/30/68/720383068.db2.gz XFPJMJPECRYXFS-UHFFFAOYSA-N 1 2 436.585 3.016 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C)cc5cccnc54)CC3)C2=O)cs1 ZINC001164826124 720383071 /nfs/dbraw/zinc/38/30/71/720383071.db2.gz XFPJMJPECRYXFS-UHFFFAOYSA-N 1 2 436.585 3.016 20 0 IGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc3cc(Cl)ccc3n1)C2 ZINC001164824638 720435402 /nfs/dbraw/zinc/43/54/02/720435402.db2.gz OJJACGQRRJMPGE-SFHVURJKSA-N 1 2 441.963 3.074 20 0 IGADLO CN(C)c1cc(Cl)nc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)n1 ZINC001164756019 720975225 /nfs/dbraw/zinc/97/52/25/720975225.db2.gz CZUFOUFNQJMCLS-CQSZACIVSA-N 1 2 426.899 3.000 20 0 IGADLO O=C1C[C@H]2[C@H](CCN2c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)N1c1ccsc1 ZINC001164884160 721354433 /nfs/dbraw/zinc/35/44/33/721354433.db2.gz UEVMFRGNTGCFRL-VXKWHMMOSA-N 1 2 431.565 3.481 20 0 IGADLO O=C1C[C@H]2[C@H](CCN2c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)N1c1ccsc1 ZINC001164884160 721354437 /nfs/dbraw/zinc/35/44/37/721354437.db2.gz UEVMFRGNTGCFRL-VXKWHMMOSA-N 1 2 431.565 3.481 20 0 IGADLO COC(=O)c1cc(C(F)(F)N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)cnc1Cl ZINC001164785680 721403250 /nfs/dbraw/zinc/40/32/50/721403250.db2.gz MGZXGQBGDWQQFR-RYUDHWBXSA-N 1 2 428.892 3.091 20 0 IGADLO CCOC(=O)c1ccc(C(F)(F)N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c(Cl)n1 ZINC001164789613 721422754 /nfs/dbraw/zinc/42/27/54/721422754.db2.gz VURPLSVTFGNXSI-STQMWFEESA-N 1 2 442.919 3.481 20 0 IGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cc(C(=O)N3CCCCC3)cc(Cl)n1)C2 ZINC001165011231 721697930 /nfs/dbraw/zinc/69/79/30/721697930.db2.gz ZNSVQJBJRWJTDS-UHFFFAOYSA-N 1 2 445.999 3.203 20 0 IGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cc(C(=O)N3CCCCC3)cc(Cl)n1)C2 ZINC001165011231 721697932 /nfs/dbraw/zinc/69/79/32/721697932.db2.gz ZNSVQJBJRWJTDS-UHFFFAOYSA-N 1 2 445.999 3.203 20 0 IGADLO Cc1nc2c3ccccc3oc2c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164917664 721788547 /nfs/dbraw/zinc/78/85/47/721788547.db2.gz YTWYNQVIIZOTRU-RUZDIDTESA-N 1 2 445.523 3.187 20 0 IGADLO Cc1nc2c3ccccc3oc2c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164917664 721788552 /nfs/dbraw/zinc/78/85/52/721788552.db2.gz YTWYNQVIIZOTRU-RUZDIDTESA-N 1 2 445.523 3.187 20 0 IGADLO CCCCOc1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164916056 721791760 /nfs/dbraw/zinc/79/17/60/721791760.db2.gz ONGSFRBQFDLAGR-HSZRJFAPSA-N 1 2 446.979 3.417 20 0 IGADLO CCCCOc1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164916056 721791762 /nfs/dbraw/zinc/79/17/62/721791762.db2.gz ONGSFRBQFDLAGR-HSZRJFAPSA-N 1 2 446.979 3.417 20 0 IGADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CC[C@@]5(C[C@@H](Oc6cccnc6)CO5)C4)c3C2)cc1 ZINC001164916158 721804917 /nfs/dbraw/zinc/80/49/17/721804917.db2.gz OGWXFCOKMYGBAV-ATIYNZHBSA-N 1 2 443.551 3.247 20 0 IGADLO c1ccc(C[N@H+]2CCc3ncnc(N4CC[C@@]5(C[C@@H](Oc6cccnc6)CO5)C4)c3C2)cc1 ZINC001164916158 721804918 /nfs/dbraw/zinc/80/49/18/721804918.db2.gz OGWXFCOKMYGBAV-ATIYNZHBSA-N 1 2 443.551 3.247 20 0 IGADLO COC(=O)c1ccc2nc(Cl)c(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)nc2c1 ZINC001164917234 721812901 /nfs/dbraw/zinc/81/29/01/721812901.db2.gz LVEREIDAJPBTNH-UHFFFAOYSA-N 1 2 440.935 3.016 20 0 IGADLO CCOC(Cc1c(Cl)ncnc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C)OCC ZINC001164918451 721815807 /nfs/dbraw/zinc/81/58/07/721815807.db2.gz YPFVPKLJWGCGCY-UHFFFAOYSA-N 1 2 448.999 3.018 20 0 IGADLO COc1cc2nc(Cl)c(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)nc2cc1OC ZINC001164917458 721816054 /nfs/dbraw/zinc/81/60/54/721816054.db2.gz NYGMQDVLEYQNME-UHFFFAOYSA-N 1 2 442.951 3.246 20 0 IGADLO COC(=O)c1c(C)cc(C)[nH+]c1N1CC[C@H]2OCCN(Cc3csc(C)n3)[C@@H]2CC1 ZINC001164992202 722181152 /nfs/dbraw/zinc/18/11/52/722181152.db2.gz RZJZWFMMNICPLT-RTBURBONSA-N 1 2 430.574 3.120 20 0 IGADLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N5CCC[C@H](C)C5)nc[nH+]4)CC[C@@H]32)cs1 ZINC001164987357 722185870 /nfs/dbraw/zinc/18/58/70/722185870.db2.gz JXVTXELMANLOBS-DZFGPLHGSA-N 1 2 442.633 3.348 20 0 IGADLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N5CCC[C@H](C)C5)[nH+]cn4)CC[C@@H]32)cs1 ZINC001164987357 722185871 /nfs/dbraw/zinc/18/58/71/722185871.db2.gz JXVTXELMANLOBS-DZFGPLHGSA-N 1 2 442.633 3.348 20 0 IGADLO Cc1noc([C@@H]2C[C@H]3CCN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@@H]3O2)n1 ZINC001164653123 719298027 /nfs/dbraw/zinc/29/80/27/719298027.db2.gz OHBDMSSICFMOJO-COPCDDAFSA-N 1 2 432.528 3.083 20 0 IGADLO Cc1noc([C@@H]2C[C@H]3CCN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@@H]3O2)n1 ZINC001164653123 719298029 /nfs/dbraw/zinc/29/80/29/719298029.db2.gz OHBDMSSICFMOJO-COPCDDAFSA-N 1 2 432.528 3.083 20 0 IGADLO CCOC(=O)c1cc(Cl)nnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164672212 719500481 /nfs/dbraw/zinc/50/04/81/719500481.db2.gz GXSCDGQHBMJUCH-UHFFFAOYSA-N 1 2 448.926 3.317 20 0 IGADLO CCOC(=O)c1cc(Cl)nnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164672212 719500492 /nfs/dbraw/zinc/50/04/92/719500492.db2.gz GXSCDGQHBMJUCH-UHFFFAOYSA-N 1 2 448.926 3.317 20 0 IGADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ncc4ncnc(Cl)c4n2)CC3)cc1 ZINC001164672748 719514052 /nfs/dbraw/zinc/51/40/52/719514052.db2.gz NGYWDGNKZCEKQP-UHFFFAOYSA-N 1 2 428.899 3.084 20 0 IGADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ncc4ncnc(Cl)c4n2)CC3)cc1 ZINC001164672748 719514059 /nfs/dbraw/zinc/51/40/59/719514059.db2.gz NGYWDGNKZCEKQP-UHFFFAOYSA-N 1 2 428.899 3.084 20 0 IGADLO CCOC(=O)Cc1ccnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1 ZINC001164679281 719532964 /nfs/dbraw/zinc/53/29/64/719532964.db2.gz WZJYPKWFNMNHJS-UHFFFAOYSA-N 1 2 427.520 3.198 20 0 IGADLO CCOC(=O)Cc1ccnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1 ZINC001164679281 719532970 /nfs/dbraw/zinc/53/29/70/719532970.db2.gz WZJYPKWFNMNHJS-UHFFFAOYSA-N 1 2 427.520 3.198 20 0 IGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(Cl)cc2)nn1 ZINC001164699377 719843256 /nfs/dbraw/zinc/84/32/56/719843256.db2.gz HWRTUWZPMSISIE-PGRDOPGGSA-N 1 2 430.936 3.030 20 0 IGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2ccc(Cl)cc2nc1Cl ZINC001164701527 719849509 /nfs/dbraw/zinc/84/95/09/719849509.db2.gz MIXVMUWRGNSHNU-VLIAUNLRSA-N 1 2 439.343 3.169 20 0 IGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc2c1ccn2Cc1ccccc1 ZINC001164701075 719858786 /nfs/dbraw/zinc/85/87/86/719858786.db2.gz JFXITIVOEOWPHZ-RLWLMLJZSA-N 1 2 448.567 3.317 20 0 IGADLO CCCCOc1cnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c(Cl)c1 ZINC001164703811 719865161 /nfs/dbraw/zinc/86/51/61/719865161.db2.gz KRHMBBZYWRTLIU-IIBYNOLFSA-N 1 2 425.957 3.147 20 0 IGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C(C)(C)C)nc(C(C)(C)C)n1 ZINC001164700594 719867038 /nfs/dbraw/zinc/86/70/38/719867038.db2.gz DZQUGTZVYDGTOJ-BXKMTCNYSA-N 1 2 432.609 3.304 20 0 IGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccc(Cl)nn2)ccc1F ZINC001164708016 719872516 /nfs/dbraw/zinc/87/25/16/719872516.db2.gz XGKKNBIPDMLNQX-AOMKIAJQSA-N 1 2 448.926 3.169 20 0 IGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccnc(CSc2ccccc2)n1 ZINC001164708420 719877809 /nfs/dbraw/zinc/87/78/09/719877809.db2.gz ZDIROVCMCFILAL-WZONZLPQSA-N 1 2 442.585 3.002 20 0 IGADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)COc1cccc(Cl)n1 ZINC001164721015 720315683 /nfs/dbraw/zinc/31/56/83/720315683.db2.gz CRYSBUCRORLDBB-OAHLLOKOSA-N 1 2 427.883 3.220 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc5cccc(F)c5n4)CC3)C2=O)cs1 ZINC001164819462 720376918 /nfs/dbraw/zinc/37/69/18/720376918.db2.gz FEAWUMMJHXYFAW-UHFFFAOYSA-N 1 2 439.560 3.452 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc5cccc(F)c5n4)CC3)C2=O)cs1 ZINC001164819462 720376923 /nfs/dbraw/zinc/37/69/23/720376923.db2.gz FEAWUMMJHXYFAW-UHFFFAOYSA-N 1 2 439.560 3.452 20 0 IGADLO FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164832058 720398722 /nfs/dbraw/zinc/39/87/22/720398722.db2.gz YOILQJJUNUSVLR-UHFFFAOYSA-N 1 2 430.246 3.060 20 0 IGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)nc3ccccc31)C2 ZINC001164826211 720427689 /nfs/dbraw/zinc/42/76/89/720427689.db2.gz OUJAJZXJHMNMCS-KRWDZBQOSA-N 1 2 441.963 3.074 20 0 IGADLO CN(C)c1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)nc(Cl)n1 ZINC001164769996 721276287 /nfs/dbraw/zinc/27/62/87/721276287.db2.gz QZNPKGMEASLSQC-CQSZACIVSA-N 1 2 449.893 3.048 20 0 IGADLO CN(C)c1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)nc(Cl)n1 ZINC001164769995 721276541 /nfs/dbraw/zinc/27/65/41/721276541.db2.gz QZNPKGMEASLSQC-AWEZNQCLSA-N 1 2 449.893 3.048 20 0 IGADLO COC(=O)c1cc(C(F)(F)N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)cnc1Cl ZINC001164785691 721403182 /nfs/dbraw/zinc/40/31/82/721403182.db2.gz MGZXGQBGDWQQFR-VXGBXAGGSA-N 1 2 428.892 3.091 20 0 IGADLO COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164786730 721405364 /nfs/dbraw/zinc/40/53/64/721405364.db2.gz PBNTXTAKKDZITO-RYUDHWBXSA-N 1 2 428.892 3.091 20 0 IGADLO COC(=O)c1ccc(C(F)(F)N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c(Cl)n1 ZINC001164784887 721408078 /nfs/dbraw/zinc/40/80/78/721408078.db2.gz LUEZJRGYLDHAHH-TXEJJXNPSA-N 1 2 428.892 3.091 20 0 IGADLO COC(=O)c1ccc(C(F)(F)N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c(Cl)n1 ZINC001164784887 721408081 /nfs/dbraw/zinc/40/80/81/721408081.db2.gz LUEZJRGYLDHAHH-TXEJJXNPSA-N 1 2 428.892 3.091 20 0 IGADLO CSc1nc(Cl)cc(C(F)(F)N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)n1 ZINC001165010780 721695745 /nfs/dbraw/zinc/69/57/45/721695745.db2.gz XDDGLWPLKOMCSP-UHFFFAOYSA-N 1 2 431.944 3.239 20 0 IGADLO CSc1nc(Cl)cc(C(F)(F)N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)n1 ZINC001165010780 721695749 /nfs/dbraw/zinc/69/57/49/721695749.db2.gz XDDGLWPLKOMCSP-UHFFFAOYSA-N 1 2 431.944 3.239 20 0 IGADLO COc1cc2nc(Cl)nc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c2cc1OC ZINC001165010443 721699912 /nfs/dbraw/zinc/69/99/12/721699912.db2.gz IMIDKVVZJVFREJ-UHFFFAOYSA-N 1 2 445.955 3.142 20 0 IGADLO COc1cc2nc(Cl)nc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c2cc1OC ZINC001165010443 721699914 /nfs/dbraw/zinc/69/99/14/721699914.db2.gz IMIDKVVZJVFREJ-UHFFFAOYSA-N 1 2 445.955 3.142 20 0 IGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(C(=O)OCc3ccccc3)cn1)C2 ZINC001165009088 721715127 /nfs/dbraw/zinc/71/51/27/721715127.db2.gz PBELCRDQUSVAQX-UHFFFAOYSA-N 1 2 434.544 3.281 20 0 IGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(C(=O)OCc3ccccc3)cn1)C2 ZINC001165009088 721715131 /nfs/dbraw/zinc/71/51/31/721715131.db2.gz PBELCRDQUSVAQX-UHFFFAOYSA-N 1 2 434.544 3.281 20 0 IGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc(-c3ccccc3)n1)CC2 ZINC001164945719 721972835 /nfs/dbraw/zinc/97/28/35/721972835.db2.gz QYMVQXOEJCNXGR-UHFFFAOYSA-N 1 2 448.958 3.163 20 0 IGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc(-c3ccccc3)n1)CC2 ZINC001164945719 721972840 /nfs/dbraw/zinc/97/28/40/721972840.db2.gz QYMVQXOEJCNXGR-UHFFFAOYSA-N 1 2 448.958 3.163 20 0 IGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nccc(-c3ccc(F)cc3)n1)CC2 ZINC001164943640 721973316 /nfs/dbraw/zinc/97/33/16/721973316.db2.gz APTJWXNPYKIDEO-UHFFFAOYSA-N 1 2 431.515 3.254 20 0 IGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nccc(-c3ccc(F)cc3)n1)CC2 ZINC001164943640 721973318 /nfs/dbraw/zinc/97/33/18/721973318.db2.gz APTJWXNPYKIDEO-UHFFFAOYSA-N 1 2 431.515 3.254 20 0 IGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cncc(Oc3cccc(F)c3)n1)CC2 ZINC001164948397 721976025 /nfs/dbraw/zinc/97/60/25/721976025.db2.gz YSWZVEKDNDRBAY-UHFFFAOYSA-N 1 2 447.514 3.379 20 0 IGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cncc(Oc3cccc(F)c3)n1)CC2 ZINC001164948397 721976031 /nfs/dbraw/zinc/97/60/31/721976031.db2.gz YSWZVEKDNDRBAY-UHFFFAOYSA-N 1 2 447.514 3.379 20 0 IGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncc3c(n1)-c1ccccc1CC3)CC2 ZINC001164945049 721977133 /nfs/dbraw/zinc/97/71/33/721977133.db2.gz BDJLNKGFIOJWMA-UHFFFAOYSA-N 1 2 439.563 3.213 20 0 IGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncc3c(n1)-c1ccccc1CC3)CC2 ZINC001164945049 721977136 /nfs/dbraw/zinc/97/71/36/721977136.db2.gz BDJLNKGFIOJWMA-UHFFFAOYSA-N 1 2 439.563 3.213 20 0 IGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(-c3ccc(F)cc3)ncn1)CC2 ZINC001164950417 721978864 /nfs/dbraw/zinc/97/88/64/721978864.db2.gz TWWCSHHMNRPEKP-UHFFFAOYSA-N 1 2 431.515 3.254 20 0 IGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(-c3ccc(F)cc3)ncn1)CC2 ZINC001164950417 721978870 /nfs/dbraw/zinc/97/88/70/721978870.db2.gz TWWCSHHMNRPEKP-UHFFFAOYSA-N 1 2 431.515 3.254 20 0 IGADLO COc1ccccc1-c1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nn1 ZINC001164948208 721979021 /nfs/dbraw/zinc/97/90/21/721979021.db2.gz VGCORKYZRMLEEI-UHFFFAOYSA-N 1 2 443.551 3.123 20 0 IGADLO COc1ccccc1-c1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nn1 ZINC001164948208 721979024 /nfs/dbraw/zinc/97/90/24/721979024.db2.gz VGCORKYZRMLEEI-UHFFFAOYSA-N 1 2 443.551 3.123 20 0 IGADLO COc1ccc(-c2cc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)ncn2)cc1 ZINC001164949896 721979145 /nfs/dbraw/zinc/97/91/45/721979145.db2.gz RDOVRIRESUMIOQ-UHFFFAOYSA-N 1 2 443.551 3.123 20 0 IGADLO COc1ccc(-c2cc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)ncn2)cc1 ZINC001164949896 721979146 /nfs/dbraw/zinc/97/91/46/721979146.db2.gz RDOVRIRESUMIOQ-UHFFFAOYSA-N 1 2 443.551 3.123 20 0 IGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cncc(-c3ccc(F)cc3)n1)CC2 ZINC001164945564 721980594 /nfs/dbraw/zinc/98/05/94/721980594.db2.gz AGOGQQXLOASKNF-UHFFFAOYSA-N 1 2 431.515 3.254 20 0 IGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cncc(-c3ccc(F)cc3)n1)CC2 ZINC001164945564 721980598 /nfs/dbraw/zinc/98/05/98/721980598.db2.gz AGOGQQXLOASKNF-UHFFFAOYSA-N 1 2 431.515 3.254 20 0 IGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3[nH]c(C)nc3n1)CC2 ZINC001164658199 719352288 /nfs/dbraw/zinc/35/22/88/719352288.db2.gz FNKYUHWLCQQRQV-UHFFFAOYSA-N 1 2 428.544 3.308 20 0 IGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3[nH]c(C)nc3n1)CC2 ZINC001164658199 719352292 /nfs/dbraw/zinc/35/22/92/719352292.db2.gz FNKYUHWLCQQRQV-UHFFFAOYSA-N 1 2 428.544 3.308 20 0 IGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(Cl)cc2)nn1 ZINC001164699375 719843437 /nfs/dbraw/zinc/84/34/37/719843437.db2.gz HWRTUWZPMSISIE-AVRDEDQJSA-N 1 2 430.936 3.030 20 0 IGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cncc(Sc2cccc(C)c2)n1 ZINC001164699273 719864067 /nfs/dbraw/zinc/86/40/67/719864067.db2.gz BLIZUZOQSSRAND-MBSDFSHPSA-N 1 2 442.585 3.169 20 0 IGADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(Cl)nc(Cl)n1 ZINC001164722793 720310954 /nfs/dbraw/zinc/31/09/54/720310954.db2.gz LSXCVNRZRYRNOM-LBPRGKRZSA-N 1 2 433.290 3.346 20 0 IGADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1nc(Cl)ncc1Cl ZINC001164723402 720312942 /nfs/dbraw/zinc/31/29/42/720312942.db2.gz OOVCOTALVKWQHH-CYBMUJFWSA-N 1 2 433.290 3.346 20 0 IGADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1c2c(nnc1Cl)CCC2 ZINC001164725021 720316593 /nfs/dbraw/zinc/31/65/93/720316593.db2.gz UWRXECKXRQZBHQ-MRXNPFEDSA-N 1 2 438.910 3.181 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc5c(F)cccc54)CC3)C2=O)cs1 ZINC001164820722 720372440 /nfs/dbraw/zinc/37/24/40/720372440.db2.gz RBOKHEFESHEREV-UHFFFAOYSA-N 1 2 439.560 3.452 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc5c(F)cccc54)CC3)C2=O)cs1 ZINC001164820722 720372447 /nfs/dbraw/zinc/37/24/47/720372447.db2.gz RBOKHEFESHEREV-UHFFFAOYSA-N 1 2 439.560 3.452 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc5[nH]ccc5cc4Cl)CC3)C2=O)cs1 ZINC001164820361 720372731 /nfs/dbraw/zinc/37/27/31/720372731.db2.gz OPHZFOQOIXVJAW-UHFFFAOYSA-N 1 2 444.992 3.246 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc5[nH]ccc5cc4Cl)CC3)C2=O)cs1 ZINC001164820361 720372738 /nfs/dbraw/zinc/37/27/38/720372738.db2.gz OPHZFOQOIXVJAW-UHFFFAOYSA-N 1 2 444.992 3.246 20 0 IGADLO FC(F)(c1nc2ccsc2c(Cl)n1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164826159 720397857 /nfs/dbraw/zinc/39/78/57/720397857.db2.gz CIHGCMOWKQCPGQ-UHFFFAOYSA-N 1 2 436.879 3.136 20 0 IGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc3c(Cl)cccc3n1)C2 ZINC001164822398 720450250 /nfs/dbraw/zinc/45/02/50/720450250.db2.gz DLDVWNZADOHSRR-QGZVFWFLSA-N 1 2 441.963 3.074 20 0 IGADLO CN(C)c1cc(Cl)nc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)n1 ZINC001164763064 721272033 /nfs/dbraw/zinc/27/20/33/721272033.db2.gz BHAIDQILUUMJQM-CQSZACIVSA-N 1 2 449.893 3.048 20 0 IGADLO COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164788291 721425385 /nfs/dbraw/zinc/42/53/85/721425385.db2.gz STRJEUYOFOGORN-TXEJJXNPSA-N 1 2 428.892 3.091 20 0 IGADLO COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164788291 721425391 /nfs/dbraw/zinc/42/53/91/721425391.db2.gz STRJEUYOFOGORN-TXEJJXNPSA-N 1 2 428.892 3.091 20 0 IGADLO Cc1c(Cl)nc(C2CCC2)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915763 721800443 /nfs/dbraw/zinc/80/04/43/721800443.db2.gz ZMIHLJWIXZYAFX-QHCPKHFHSA-N 1 2 443.979 3.209 20 0 IGADLO Cc1c(Cl)nc(C2CCC2)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915763 721800444 /nfs/dbraw/zinc/80/04/44/721800444.db2.gz ZMIHLJWIXZYAFX-QHCPKHFHSA-N 1 2 443.979 3.209 20 0 IGADLO Cc1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1-c1ccccc1F ZINC001164915681 721800610 /nfs/dbraw/zinc/80/06/10/721800610.db2.gz XNVZJKMLFUWQFC-VWLOTQADSA-N 1 2 449.530 3.094 20 0 IGADLO Cc1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1-c1ccccc1F ZINC001164915681 721800612 /nfs/dbraw/zinc/80/06/12/721800612.db2.gz XNVZJKMLFUWQFC-VWLOTQADSA-N 1 2 449.530 3.094 20 0 IGADLO O=C(c1cccnc1N1CC[C@H](c2ccncc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001165040914 721928598 /nfs/dbraw/zinc/92/85/98/721928598.db2.gz UCCAEXKMBTWFJC-QHCPKHFHSA-N 1 2 427.552 3.429 20 0 IGADLO COC(=O)c1cc(C(F)(F)N2CC[NH+](CCOc3ccccc3)CC2)cnc1Cl ZINC001165044204 721955340 /nfs/dbraw/zinc/95/53/40/721955340.db2.gz JPFFRKUNQIGPMY-UHFFFAOYSA-N 1 2 425.863 3.268 20 0 IGADLO Cc1c[nH+]c(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)nc1N1CCCC1 ZINC001164667022 719491326 /nfs/dbraw/zinc/49/13/26/719491326.db2.gz IEIPNDNHGNMJFK-UHFFFAOYSA-N 1 2 425.552 3.396 20 0 IGADLO O=C(c1ccnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1)N1CCCC1 ZINC001164672749 719517268 /nfs/dbraw/zinc/51/72/68/719517268.db2.gz NHESWOITFWTARP-UHFFFAOYSA-N 1 2 438.547 3.328 20 0 IGADLO O=C(c1ccnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1)N1CCCC1 ZINC001164672749 719517277 /nfs/dbraw/zinc/51/72/77/719517277.db2.gz NHESWOITFWTARP-UHFFFAOYSA-N 1 2 438.547 3.328 20 0 IGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2cc(C)c(C)cc2nc1Cl ZINC001164700113 719860501 /nfs/dbraw/zinc/86/05/01/719860501.db2.gz GLRMIFDWLGPFHJ-OPAMFIHVSA-N 1 2 432.952 3.133 20 0 IGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncccc1OCc1ccc(F)cc1 ZINC001164701807 719871953 /nfs/dbraw/zinc/87/19/53/719871953.db2.gz HSSSPDKCXKETJZ-GBXCKJPGSA-N 1 2 443.519 3.032 20 0 IGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(C2CCCCC2)n1 ZINC001164707173 719877678 /nfs/dbraw/zinc/87/76/78/719877678.db2.gz QYHAGZURQTYLEF-HTAPYJJXSA-N 1 2 436.984 3.410 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(-c5ccncc5)cn4)CC3)C2=O)cs1 ZINC001164820200 720377870 /nfs/dbraw/zinc/37/78/70/720377870.db2.gz MEQZRKRUUFFALN-UHFFFAOYSA-N 1 2 448.596 3.222 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(-c5ccncc5)cn4)CC3)C2=O)cs1 ZINC001164820200 720377876 /nfs/dbraw/zinc/37/78/76/720377876.db2.gz MEQZRKRUUFFALN-UHFFFAOYSA-N 1 2 448.596 3.222 20 0 IGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)nc3sccc31)C2 ZINC001164827022 720443475 /nfs/dbraw/zinc/44/34/75/720443475.db2.gz YMJRPCHDRUVEKA-OAHLLOKOSA-N 1 2 447.992 3.136 20 0 IGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc3ccccc3cc1Cl)C2 ZINC001164822695 720445739 /nfs/dbraw/zinc/44/57/39/720445739.db2.gz GMOWQSVTWGGLIX-GOSISDBHSA-N 1 2 441.963 3.074 20 0 IGADLO COC(=O)c1nc(Cl)ccc1C(F)(F)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164756727 720976851 /nfs/dbraw/zinc/97/68/51/720976851.db2.gz JVOLRZWXSZKKTF-AWEZNQCLSA-N 1 2 440.878 3.326 20 0 IGADLO CCN(CC)C(=O)c1cc(Cl)nc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c1 ZINC001165011250 721706008 /nfs/dbraw/zinc/70/60/08/721706008.db2.gz OXSJHXDEABHPJS-UHFFFAOYSA-N 1 2 433.988 3.059 20 0 IGADLO CCN(CC)C(=O)c1cc(Cl)nc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c1 ZINC001165011250 721706011 /nfs/dbraw/zinc/70/60/11/721706011.db2.gz OXSJHXDEABHPJS-UHFFFAOYSA-N 1 2 433.988 3.059 20 0 IGADLO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(Cl)(Cl)Oc2ccc(Cl)nc2)CC1 ZINC001165013300 721750934 /nfs/dbraw/zinc/75/09/34/721750934.db2.gz XNJQQJNTQZGDFX-UHFFFAOYSA-N 1 2 435.783 3.221 20 0 IGADLO COc1cc2nc(Cl)nc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)c2cc1OC ZINC001164916820 721814384 /nfs/dbraw/zinc/81/43/84/721814384.db2.gz HLEFKSSKIWUUSD-UHFFFAOYSA-N 1 2 442.951 3.246 20 0 IGADLO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC3(CC2)c2ncc(C)n2CC[N@H+]3C)c1 ZINC001164917017 721816519 /nfs/dbraw/zinc/81/65/19/721816519.db2.gz ABVTZPVTBUCGHX-UHFFFAOYSA-N 1 2 439.894 3.013 20 0 IGADLO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC3(CC2)c2ncc(C)n2CC[N@@H+]3C)c1 ZINC001164917017 721816521 /nfs/dbraw/zinc/81/65/21/721816521.db2.gz ABVTZPVTBUCGHX-UHFFFAOYSA-N 1 2 439.894 3.013 20 0 IGADLO COc1ccc2cc[nH+]c(N3CCO[C@]4(C3)COCCN(Cc3csc(C)n3)C4)c2c1 ZINC001164921247 721830799 /nfs/dbraw/zinc/83/07/99/721830799.db2.gz JEPCUIBYOIJZBU-HSZRJFAPSA-N 1 2 440.569 3.116 20 0 IGADLO O=C(Nc1nncs1)c1cnc(N2CC[NH+](CCOc3ccccc3)CC2)c(Cl)c1 ZINC001165045571 721960231 /nfs/dbraw/zinc/96/02/31/721960231.db2.gz ZFUKXNJXSKPNBZ-UHFFFAOYSA-N 1 2 444.948 3.040 20 0 IGADLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N5CCC[C@H](C)C5)nc[nH+]4)CC[C@H]32)cs1 ZINC001164987358 722185892 /nfs/dbraw/zinc/18/58/92/722185892.db2.gz JXVTXELMANLOBS-IOMROCGXSA-N 1 2 442.633 3.348 20 0 IGADLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N5CCC[C@H](C)C5)[nH+]cn4)CC[C@H]32)cs1 ZINC001164987358 722185893 /nfs/dbraw/zinc/18/58/93/722185893.db2.gz JXVTXELMANLOBS-IOMROCGXSA-N 1 2 442.633 3.348 20 0 IGADLO F[C@@H](Oc1cncc(Cl)n1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417982 718891257 /nfs/dbraw/zinc/89/12/57/718891257.db2.gz MHWMORIBKOKCMJ-MEDUHNTESA-N 1 2 442.676 3.246 20 0 IGADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(SCc4ccccc4)ccn3)CC2)C1=O ZINC001164644881 719282165 /nfs/dbraw/zinc/28/21/65/719282165.db2.gz VWWNJIZFAIPVPE-UHFFFAOYSA-N 1 2 440.613 3.133 20 0 IGADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(SCc4ccccc4)ccn3)CC2)C1=O ZINC001164644881 719282168 /nfs/dbraw/zinc/28/21/68/719282168.db2.gz VWWNJIZFAIPVPE-UHFFFAOYSA-N 1 2 440.613 3.133 20 0 IGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)ccc1C(N)=O)CC2 ZINC001164658103 719353250 /nfs/dbraw/zinc/35/32/50/719353250.db2.gz DHUGWTNDGTVSGP-UHFFFAOYSA-N 1 2 430.556 3.184 20 0 IGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)ccc1C(N)=O)CC2 ZINC001164658103 719353255 /nfs/dbraw/zinc/35/32/55/719353255.db2.gz DHUGWTNDGTVSGP-UHFFFAOYSA-N 1 2 430.556 3.184 20 0 IGADLO CC(C)N(C)C(=O)c1noc2c1CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164694198 719785135 /nfs/dbraw/zinc/78/51/35/719785135.db2.gz DEOXTECAOZXOSU-UHFFFAOYSA-N 1 2 446.555 3.066 20 0 IGADLO CC(C)N(C)C(=O)c1noc2c1CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164694198 719785140 /nfs/dbraw/zinc/78/51/40/719785140.db2.gz DEOXTECAOZXOSU-UHFFFAOYSA-N 1 2 446.555 3.066 20 0 IGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc2nc(Cl)cnc2cc1Cl ZINC001164698357 719851197 /nfs/dbraw/zinc/85/11/97/719851197.db2.gz BQEPQRLIOLELIL-XCLFUZPHSA-N 1 2 439.343 3.169 20 0 IGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccc(Cl)nn2)ccc1F ZINC001164708019 719872243 /nfs/dbraw/zinc/87/22/43/719872243.db2.gz XGKKNBIPDMLNQX-ZHRRBRCNSA-N 1 2 448.926 3.169 20 0 IGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2c(Cl)cccc2nc1Cl ZINC001164707796 719876694 /nfs/dbraw/zinc/87/66/94/719876694.db2.gz VMVRXZBGPYPFEW-RNODOKPDSA-N 1 2 439.343 3.169 20 0 IGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc2cc(Cl)ncc2cc1OC ZINC001164699030 719880490 /nfs/dbraw/zinc/88/04/90/719880490.db2.gz GQQJWULJITUJED-VGOFRKELSA-N 1 2 433.936 3.130 20 0 IGADLO COc1cc(C(F)(F)N2CCc3c([nH+]cn3C(C)C)[C@H]2CNC(C)=O)cc(Cl)n1 ZINC001164721410 720312288 /nfs/dbraw/zinc/31/22/88/720312288.db2.gz GXOIWNFOEOBPGQ-OAHLLOKOSA-N 1 2 427.883 3.306 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C)cc(Cl)c4C)CC3)C2=O)cs1 ZINC001164819935 720373255 /nfs/dbraw/zinc/37/32/55/720373255.db2.gz JNQROXWJVHLXNH-UHFFFAOYSA-N 1 2 434.009 3.430 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C)cc(Cl)c4C)CC3)C2=O)cs1 ZINC001164819935 720373261 /nfs/dbraw/zinc/37/32/61/720373261.db2.gz JNQROXWJVHLXNH-UHFFFAOYSA-N 1 2 434.009 3.430 20 0 IGADLO Cc1cc2c(ccnc2N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)o1 ZINC001164821412 720381535 /nfs/dbraw/zinc/38/15/35/720381535.db2.gz GIBZMBPQAPIQNB-UHFFFAOYSA-N 1 2 425.558 3.214 20 0 IGADLO Cc1cc2c(ccnc2N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)o1 ZINC001164821412 720381541 /nfs/dbraw/zinc/38/15/41/720381541.db2.gz GIBZMBPQAPIQNB-UHFFFAOYSA-N 1 2 425.558 3.214 20 0 IGADLO CSCc1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc1 ZINC001164822913 720382699 /nfs/dbraw/zinc/38/26/99/720382699.db2.gz MVXLKNQUAGRSCZ-UHFFFAOYSA-N 1 2 431.631 3.023 20 0 IGADLO CSCc1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc1 ZINC001164822913 720382706 /nfs/dbraw/zinc/38/27/06/720382706.db2.gz MVXLKNQUAGRSCZ-UHFFFAOYSA-N 1 2 431.631 3.023 20 0 IGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)nc3ccsc31)C2 ZINC001164821875 720445045 /nfs/dbraw/zinc/44/50/45/720445045.db2.gz AARKQEHVEQXLMO-HNNXBMFYSA-N 1 2 447.992 3.136 20 0 IGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc3cccc(Cl)c3n1)C2 ZINC001164824511 720445918 /nfs/dbraw/zinc/44/59/18/720445918.db2.gz NJIJNSCRUHVJRP-GOSISDBHSA-N 1 2 441.963 3.074 20 0 IGADLO COC(=O)c1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)cnc1Cl ZINC001164758576 720975717 /nfs/dbraw/zinc/97/57/17/720975717.db2.gz WJZHRBFKRKXNCK-CQSZACIVSA-N 1 2 440.878 3.326 20 0 IGADLO FC(F)(c1c2c(nnc1Cl)CCC2)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164767087 721275292 /nfs/dbraw/zinc/27/52/92/721275292.db2.gz FTRLWJVERANVDK-AWEZNQCLSA-N 1 2 446.889 3.471 20 0 IGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)C2 ZINC001165008084 721711912 /nfs/dbraw/zinc/71/19/12/721711912.db2.gz ARPWGRIDAVKQLB-UHFFFAOYSA-N 1 2 434.322 3.256 20 0 IGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)C2 ZINC001165008084 721711914 /nfs/dbraw/zinc/71/19/14/721711914.db2.gz ARPWGRIDAVKQLB-UHFFFAOYSA-N 1 2 434.322 3.256 20 0 IGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncc(C(=O)N3CCCCC3)cc1Cl)C2 ZINC001165008178 721715098 /nfs/dbraw/zinc/71/50/98/721715098.db2.gz CCUNHGKKOAWJDC-UHFFFAOYSA-N 1 2 445.999 3.203 20 0 IGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncc(C(=O)N3CCCCC3)cc1Cl)C2 ZINC001165008178 721715102 /nfs/dbraw/zinc/71/51/02/721715102.db2.gz CCUNHGKKOAWJDC-UHFFFAOYSA-N 1 2 445.999 3.203 20 0 IGADLO COc1ccc(OC)c(-c2ccc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)nn2)c1 ZINC001164919744 721820116 /nfs/dbraw/zinc/82/01/16/721820116.db2.gz VONQLDPWSONVEP-UHFFFAOYSA-N 1 2 434.544 3.107 20 0 IGADLO CC(C)(C)OC(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1 ZINC001164943655 721973918 /nfs/dbraw/zinc/97/39/18/721973918.db2.gz AYOHOJRVPWCUFG-UHFFFAOYSA-N 1 2 436.556 3.008 20 0 IGADLO CC(C)(C)OC(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1 ZINC001164943655 721973920 /nfs/dbraw/zinc/97/39/20/721973920.db2.gz AYOHOJRVPWCUFG-UHFFFAOYSA-N 1 2 436.556 3.008 20 0 IGADLO Cc1nc(-c2ccncc2)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1C ZINC001164948299 721980227 /nfs/dbraw/zinc/98/02/27/721980227.db2.gz KSWYPTCHXMWIAY-UHFFFAOYSA-N 1 2 442.567 3.126 20 0 IGADLO Cc1nc(-c2ccncc2)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1C ZINC001164948299 721980229 /nfs/dbraw/zinc/98/02/29/721980229.db2.gz KSWYPTCHXMWIAY-UHFFFAOYSA-N 1 2 442.567 3.126 20 0 IGADLO F[C@H](Oc1cncc(Cl)n1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417981 718891152 /nfs/dbraw/zinc/89/11/52/718891152.db2.gz MHWMORIBKOKCMJ-BZNIZROVSA-N 1 2 442.676 3.246 20 0 IGADLO Cc1noc([C@@H]2C[C@@H]3CCN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@@H]3O2)n1 ZINC001164653125 719298144 /nfs/dbraw/zinc/29/81/44/719298144.db2.gz OHBDMSSICFMOJO-NYVOZVTQSA-N 1 2 432.528 3.083 20 0 IGADLO Cc1noc([C@@H]2C[C@@H]3CCN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@@H]3O2)n1 ZINC001164653125 719298148 /nfs/dbraw/zinc/29/81/48/719298148.db2.gz OHBDMSSICFMOJO-NYVOZVTQSA-N 1 2 432.528 3.083 20 0 IGADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ccc(N4CCCCC4)nn2)CC3)cc1 ZINC001164666280 719492225 /nfs/dbraw/zinc/49/22/25/719492225.db2.gz CTFPWZAJELIDJK-UHFFFAOYSA-N 1 2 425.552 3.477 20 0 IGADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ccc(N4CCCCC4)nn2)CC3)cc1 ZINC001164666280 719492233 /nfs/dbraw/zinc/49/22/33/719492233.db2.gz CTFPWZAJELIDJK-UHFFFAOYSA-N 1 2 425.552 3.477 20 0 IGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cccc(-c2cccc(Cl)n2)n1 ZINC001164705955 719854979 /nfs/dbraw/zinc/85/49/79/719854979.db2.gz VMFHRBFIRPORTH-OPAMFIHVSA-N 1 2 430.936 3.030 20 0 IGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(SCc2ccccc2)ncn1 ZINC001164704957 719874044 /nfs/dbraw/zinc/87/40/44/719874044.db2.gz MKTQVNKNOAMAKX-WMZHIEFXSA-N 1 2 442.585 3.002 20 0 IGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(SCc2ccccc2)n1 ZINC001164706590 719875669 /nfs/dbraw/zinc/87/56/69/719875669.db2.gz QENCFJBZABVWCT-CVDCTZTESA-N 1 2 442.585 3.002 20 0 IGADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)COc1ccnc(Cl)c1 ZINC001164722274 720313897 /nfs/dbraw/zinc/31/38/97/720313897.db2.gz JYKBHSTUHHPLAQ-INIZCTEOSA-N 1 2 427.883 3.220 20 0 IGADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc2c(Cl)ncnc2c1 ZINC001164725519 720315446 /nfs/dbraw/zinc/31/54/46/720315446.db2.gz WOCLEOIPTFIORH-MRXNPFEDSA-N 1 2 449.893 3.240 20 0 IGADLO FC(F)(c1nc(Cl)c2ccccc2n1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164830524 720396887 /nfs/dbraw/zinc/39/68/87/720396887.db2.gz RSZWCNKJSJCWTE-UHFFFAOYSA-N 1 2 430.850 3.075 20 0 IGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc3cccc(Cl)c3n1)C2 ZINC001164824513 720445166 /nfs/dbraw/zinc/44/51/66/720445166.db2.gz NJIJNSCRUHVJRP-SFHVURJKSA-N 1 2 441.963 3.074 20 0 IGADLO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164874148 721220428 /nfs/dbraw/zinc/22/04/28/721220428.db2.gz SLNSCELWQJZQEL-UHFFFAOYSA-N 1 2 427.908 3.234 20 0 IGADLO CCOC(=O)c1ccc(C(F)(F)N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c(Cl)n1 ZINC001164789608 721423142 /nfs/dbraw/zinc/42/31/42/721423142.db2.gz VURPLSVTFGNXSI-BETUJISGSA-N 1 2 442.919 3.481 20 0 IGADLO CCOC(=O)c1ccc(C(F)(F)N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c(Cl)n1 ZINC001164789608 721423143 /nfs/dbraw/zinc/42/31/43/721423143.db2.gz VURPLSVTFGNXSI-BETUJISGSA-N 1 2 442.919 3.481 20 0 IGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc3ncnc(Cl)c3n1)C2 ZINC001165009879 721707393 /nfs/dbraw/zinc/70/73/93/721707393.db2.gz WVMGTELUZUTLAQ-UHFFFAOYSA-N 1 2 436.898 3.065 20 0 IGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc3ncnc(Cl)c3n1)C2 ZINC001165009879 721707397 /nfs/dbraw/zinc/70/73/97/721707397.db2.gz WVMGTELUZUTLAQ-UHFFFAOYSA-N 1 2 436.898 3.065 20 0 IGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cc(C3CC3)nnc1Cl)C2 ZINC001165010072 721713892 /nfs/dbraw/zinc/71/38/92/721713892.db2.gz YMZCHAYYPUQSAT-UHFFFAOYSA-N 1 2 425.915 3.394 20 0 IGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cc(C3CC3)nnc1Cl)C2 ZINC001165010072 721713900 /nfs/dbraw/zinc/71/39/00/721713900.db2.gz YMZCHAYYPUQSAT-UHFFFAOYSA-N 1 2 425.915 3.394 20 0 IGADLO COc1ccc2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cc(C)c2c1 ZINC001164916421 721783262 /nfs/dbraw/zinc/78/32/62/721783262.db2.gz QSRSKXZBOGPHPZ-RUZDIDTESA-N 1 2 434.540 3.055 20 0 IGADLO COc1ccc2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cc(C)c2c1 ZINC001164916421 721783263 /nfs/dbraw/zinc/78/32/63/721783263.db2.gz QSRSKXZBOGPHPZ-RUZDIDTESA-N 1 2 434.540 3.055 20 0 IGADLO Cc1ccc(C)c(-c2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)c1 ZINC001164914741 721796135 /nfs/dbraw/zinc/79/61/35/721796135.db2.gz RBXQBJJJFXLJEJ-SANMLTNESA-N 1 2 445.567 3.263 20 0 IGADLO Cc1ccc(C)c(-c2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)c1 ZINC001164914741 721796139 /nfs/dbraw/zinc/79/61/39/721796139.db2.gz RBXQBJJJFXLJEJ-SANMLTNESA-N 1 2 445.567 3.263 20 0 IGADLO COC(=O)c1cc(C(F)(F)N2CCC3(CC2)c2ncc(C)n2CC[N@H+]3C)cnc1Cl ZINC001164918435 721813991 /nfs/dbraw/zinc/81/39/91/721813991.db2.gz XOAZCCCHWTWQEN-UHFFFAOYSA-N 1 2 439.894 3.013 20 0 IGADLO COC(=O)c1cc(C(F)(F)N2CCC3(CC2)c2ncc(C)n2CC[N@@H+]3C)cnc1Cl ZINC001164918435 721813993 /nfs/dbraw/zinc/81/39/93/721813993.db2.gz XOAZCCCHWTWQEN-UHFFFAOYSA-N 1 2 439.894 3.013 20 0 IGADLO COc1ccc2cc[nH+]c(N3CCO[C@@]4(C3)COCCN(Cc3csc(C)n3)C4)c2c1 ZINC001164921251 721830754 /nfs/dbraw/zinc/83/07/54/721830754.db2.gz JEPCUIBYOIJZBU-QHCPKHFHSA-N 1 2 440.569 3.116 20 0 IGADLO FC(F)[C@](F)(COc1cncc(Cl)n1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165045475 721960985 /nfs/dbraw/zinc/96/09/85/721960985.db2.gz VJOBYZDOQIAKDI-IBGZPJMESA-N 1 2 430.858 3.136 20 0 IGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cncc(OCc3ccccc3)n1)CC2 ZINC001164944375 721971257 /nfs/dbraw/zinc/97/12/57/721971257.db2.gz HXOPDJRGNVSMKB-UHFFFAOYSA-N 1 2 443.551 3.027 20 0 IGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cncc(OCc3ccccc3)n1)CC2 ZINC001164944375 721971259 /nfs/dbraw/zinc/97/12/59/721971259.db2.gz HXOPDJRGNVSMKB-UHFFFAOYSA-N 1 2 443.551 3.027 20 0 IGADLO CCc1nc(Cl)c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c(Cl)n1 ZINC001164945655 721979553 /nfs/dbraw/zinc/97/95/53/721979553.db2.gz CYIIATPCYIJJET-UHFFFAOYSA-N 1 2 434.371 3.317 20 0 IGADLO CCc1nc(Cl)c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c(Cl)n1 ZINC001164945655 721979556 /nfs/dbraw/zinc/97/95/56/721979556.db2.gz CYIIATPCYIJJET-UHFFFAOYSA-N 1 2 434.371 3.317 20 0 IGADLO FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165056093 722018331 /nfs/dbraw/zinc/01/83/31/722018331.db2.gz VYFZUJXOJOIYOK-UHFFFAOYSA-N 1 2 430.890 3.497 20 0 IGADLO COC(=O)/C=C\c1cc(C)c[nH+]c1N1CC[C@@H]2[C@H](CC1)OCCN2Cc1csc(C)n1 ZINC001164993789 722184428 /nfs/dbraw/zinc/18/44/28/722184428.db2.gz WZBKSDQVKRFVGG-UCQKRHALSA-N 1 2 442.585 3.211 20 0 IGADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(-c4ccccc4)cc(Cl)n3)CC2)C1=O ZINC001164634768 719273946 /nfs/dbraw/zinc/27/39/46/719273946.db2.gz OTQYQSKOGLZCFR-UHFFFAOYSA-N 1 2 428.964 3.161 20 0 IGADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(-c4ccccc4)cc(Cl)n3)CC2)C1=O ZINC001164634768 719273948 /nfs/dbraw/zinc/27/39/48/719273948.db2.gz OTQYQSKOGLZCFR-UHFFFAOYSA-N 1 2 428.964 3.161 20 0 IGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(C)c1C(N)=O)CC2 ZINC001164663466 719349210 /nfs/dbraw/zinc/34/92/10/719349210.db2.gz HRCFKPUEUBSXOQ-UHFFFAOYSA-N 1 2 430.556 3.184 20 0 IGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(C)c1C(N)=O)CC2 ZINC001164663466 719349212 /nfs/dbraw/zinc/34/92/12/719349212.db2.gz HRCFKPUEUBSXOQ-UHFFFAOYSA-N 1 2 430.556 3.184 20 0 IGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(N)=O)cc(C)n1)CC2 ZINC001164665380 719355761 /nfs/dbraw/zinc/35/57/61/719355761.db2.gz VQSKKSUIFHDICG-UHFFFAOYSA-N 1 2 430.556 3.184 20 0 IGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(N)=O)cc(C)n1)CC2 ZINC001164665380 719355766 /nfs/dbraw/zinc/35/57/66/719355766.db2.gz VQSKKSUIFHDICG-UHFFFAOYSA-N 1 2 430.556 3.184 20 0 IGADLO COC(=O)c1c[n-]c2nc[nH+]c(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)c12 ZINC001164692028 719810423 /nfs/dbraw/zinc/81/04/23/719810423.db2.gz FFLDLLMKLAJLMY-UHFFFAOYSA-N 1 2 426.546 3.144 20 0 IGADLO COC(=O)c1c[n-]c2nc[nH+]c(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)c12 ZINC001164692028 719810425 /nfs/dbraw/zinc/81/04/25/719810425.db2.gz FFLDLLMKLAJLMY-UHFFFAOYSA-N 1 2 426.546 3.144 20 0 IGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc2c1ccn2Cc1ccccc1 ZINC001164701068 719858751 /nfs/dbraw/zinc/85/87/51/719858751.db2.gz JFXITIVOEOWPHZ-LVXARBLLSA-N 1 2 448.567 3.317 20 0 IGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc2c1ccn2Cc1ccccc1 ZINC001164701071 719858771 /nfs/dbraw/zinc/85/87/71/719858771.db2.gz JFXITIVOEOWPHZ-QFQXNSOFSA-N 1 2 448.567 3.317 20 0 IGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1c(C)nc(-c2ccccc2)nc1Cl ZINC001164706627 719870963 /nfs/dbraw/zinc/87/09/63/719870963.db2.gz QFNDFMIMPPUFIH-JPYJTQIMSA-N 1 2 444.963 3.338 20 0 IGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(SCc2ccccc2)n1 ZINC001164706594 719875496 /nfs/dbraw/zinc/87/54/96/719875496.db2.gz QENCFJBZABVWCT-WMZHIEFXSA-N 1 2 442.585 3.002 20 0 IGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2c(Cl)cccc2nc1Cl ZINC001164707797 719876582 /nfs/dbraw/zinc/87/65/82/719876582.db2.gz VMVRXZBGPYPFEW-XCLFUZPHSA-N 1 2 439.343 3.169 20 0 IGADLO O=C1N(CC2CC2)CC[C@]12CCCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164817274 720277357 /nfs/dbraw/zinc/27/73/57/720277357.db2.gz BYDKOGDOLOBADZ-SANMLTNESA-N 1 2 431.584 3.264 20 0 IGADLO O=C1N(CC2CC2)CC[C@]12CCCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164817274 720277368 /nfs/dbraw/zinc/27/73/68/720277368.db2.gz BYDKOGDOLOBADZ-SANMLTNESA-N 1 2 431.584 3.264 20 0 IGADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1nc(Cl)ncc1Cl ZINC001164723404 720312357 /nfs/dbraw/zinc/31/23/57/720312357.db2.gz OOVCOTALVKWQHH-ZDUSSCGKSA-N 1 2 433.290 3.346 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)cc5[nH]ccc54)CC3)C2=O)cs1 ZINC001164825762 720362370 /nfs/dbraw/zinc/36/23/70/720362370.db2.gz UNWVVVGTLDFZNX-UHFFFAOYSA-N 1 2 444.992 3.294 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)cc5[nH]ccc54)CC3)C2=O)cs1 ZINC001164825762 720362372 /nfs/dbraw/zinc/36/23/72/720362372.db2.gz UNWVVVGTLDFZNX-UHFFFAOYSA-N 1 2 444.992 3.294 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc5ccc(F)cc54)CC3)C2=O)cs1 ZINC001164820950 720371891 /nfs/dbraw/zinc/37/18/91/720371891.db2.gz UWZDMTOAXXRDIM-UHFFFAOYSA-N 1 2 439.560 3.452 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc5ccc(F)cc54)CC3)C2=O)cs1 ZINC001164820950 720371900 /nfs/dbraw/zinc/37/19/00/720371900.db2.gz UWZDMTOAXXRDIM-UHFFFAOYSA-N 1 2 439.560 3.452 20 0 IGADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1ccc(Cl)c(Cl)n1)C2 ZINC001164861570 720896219 /nfs/dbraw/zinc/89/62/19/720896219.db2.gz YDQJDGMGRCPCSV-UHFFFAOYSA-N 1 2 441.269 3.145 20 0 IGADLO FC(F)(c1ccc2ncnc(Cl)c2n1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164757241 720977470 /nfs/dbraw/zinc/97/74/70/720977470.db2.gz NNAPEVKMBDQRBK-AWEZNQCLSA-N 1 2 434.878 3.483 20 0 IGADLO FC(F)(c1ccc2ncnc(Cl)c2n1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164757242 720978069 /nfs/dbraw/zinc/97/80/69/720978069.db2.gz NNAPEVKMBDQRBK-CQSZACIVSA-N 1 2 434.878 3.483 20 0 IGADLO FC(F)(c1cnc2c(Cl)ncnc2c1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164757563 720978823 /nfs/dbraw/zinc/97/88/23/720978823.db2.gz OZVDWWUWXWXBMR-AWEZNQCLSA-N 1 2 434.878 3.483 20 0 IGADLO COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164788294 721424924 /nfs/dbraw/zinc/42/49/24/721424924.db2.gz STRJEUYOFOGORN-VXGBXAGGSA-N 1 2 428.892 3.091 20 0 IGADLO Cc1cc(-c2cccc(F)c2)nnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914948 721799745 /nfs/dbraw/zinc/79/97/45/721799745.db2.gz RUXZFAGHYZPKIZ-RUZDIDTESA-N 1 2 449.530 3.094 20 0 IGADLO Cc1cc(-c2cccc(F)c2)nnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914948 721799747 /nfs/dbraw/zinc/79/97/47/721799747.db2.gz RUXZFAGHYZPKIZ-RUZDIDTESA-N 1 2 449.530 3.094 20 0 IGADLO Cc1cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc(-c2ccsc2)n1 ZINC001164950988 721979376 /nfs/dbraw/zinc/97/93/76/721979376.db2.gz WQMSDMOVHYMLQZ-UHFFFAOYSA-N 1 2 433.581 3.485 20 0 IGADLO Cc1cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc(-c2ccsc2)n1 ZINC001164950988 721979379 /nfs/dbraw/zinc/97/93/79/721979379.db2.gz WQMSDMOVHYMLQZ-UHFFFAOYSA-N 1 2 433.581 3.485 20 0 IGADLO Cc1cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc(-c2cccs2)n1 ZINC001164948183 721979453 /nfs/dbraw/zinc/97/94/53/721979453.db2.gz JWCSLZJJYLZAAM-UHFFFAOYSA-N 1 2 433.581 3.485 20 0 IGADLO Cc1cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc(-c2cccs2)n1 ZINC001164948183 721979455 /nfs/dbraw/zinc/97/94/55/721979455.db2.gz JWCSLZJJYLZAAM-UHFFFAOYSA-N 1 2 433.581 3.485 20 0 IGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc(-c3ccc(F)cc3)nn1)CC2 ZINC001164949357 721979820 /nfs/dbraw/zinc/97/98/20/721979820.db2.gz OZGWRGFARYFMPP-UHFFFAOYSA-N 1 2 431.515 3.254 20 0 IGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc(-c3ccc(F)cc3)nn1)CC2 ZINC001164949357 721979822 /nfs/dbraw/zinc/97/98/22/721979822.db2.gz OZGWRGFARYFMPP-UHFFFAOYSA-N 1 2 431.515 3.254 20 0 IGADLO O=C(NC1CCC1)[C@@H]1C[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]2C1 ZINC001164972627 722084549 /nfs/dbraw/zinc/08/45/49/722084549.db2.gz LZJIQBMTYQDYPI-WKCHPHFGSA-N 1 2 431.584 3.166 20 0 IGADLO O=C(NC1CCC1)[C@@H]1C[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]2C1 ZINC001164972627 722084550 /nfs/dbraw/zinc/08/45/50/722084550.db2.gz LZJIQBMTYQDYPI-WKCHPHFGSA-N 1 2 431.584 3.166 20 0 IGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c1[C@H](C)C(=O)N3)CC2 ZINC001164659518 719351366 /nfs/dbraw/zinc/35/13/66/719351366.db2.gz QDERFGAILHKEEI-KRWDZBQOSA-N 1 2 443.555 3.227 20 0 IGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c1[C@H](C)C(=O)N3)CC2 ZINC001164659518 719351370 /nfs/dbraw/zinc/35/13/70/719351370.db2.gz QDERFGAILHKEEI-KRWDZBQOSA-N 1 2 443.555 3.227 20 0 IGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(OCCOC)nn1)CC2 ZINC001164658970 719354155 /nfs/dbraw/zinc/35/41/55/719354155.db2.gz NQOYGSWYXNENHV-UHFFFAOYSA-N 1 2 448.571 3.197 20 0 IGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(OCCOC)nn1)CC2 ZINC001164658970 719354159 /nfs/dbraw/zinc/35/41/59/719354159.db2.gz NQOYGSWYXNENHV-UHFFFAOYSA-N 1 2 448.571 3.197 20 0 IGADLO COC(=O)CSc1cccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164672686 719520416 /nfs/dbraw/zinc/52/04/16/719520416.db2.gz MSKIQJMOFFTZRX-UHFFFAOYSA-N 1 2 445.560 3.357 20 0 IGADLO COC(=O)CSc1cccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164672686 719520417 /nfs/dbraw/zinc/52/04/17/719520417.db2.gz MSKIQJMOFFTZRX-UHFFFAOYSA-N 1 2 445.560 3.357 20 0 IGADLO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164676365 719566350 /nfs/dbraw/zinc/56/63/50/719566350.db2.gz CMEOYYOVNUIFRB-UHFFFAOYSA-N 1 2 438.822 3.167 20 0 IGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2ccc(Cl)cc2nc1Cl ZINC001164701521 719849279 /nfs/dbraw/zinc/84/92/79/719849279.db2.gz MIXVMUWRGNSHNU-JLTOFOAXSA-N 1 2 439.343 3.169 20 0 IGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2ccc(Cl)cc2nc1Cl ZINC001164701530 719849622 /nfs/dbraw/zinc/84/96/22/719849622.db2.gz MIXVMUWRGNSHNU-XOBRGWDASA-N 1 2 439.343 3.169 20 0 IGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cncc(Sc2cccc(C)c2)n1 ZINC001164699272 719863785 /nfs/dbraw/zinc/86/37/85/719863785.db2.gz BLIZUZOQSSRAND-JPYJTQIMSA-N 1 2 442.585 3.169 20 0 IGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccc(Cl)nn2)ccc1F ZINC001164708017 719872286 /nfs/dbraw/zinc/87/22/86/719872286.db2.gz XGKKNBIPDMLNQX-KSFYIVLOSA-N 1 2 448.926 3.169 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(Cl)nc5c4CCC5)CC3)C2=O)cs1 ZINC001164824837 720364759 /nfs/dbraw/zinc/36/47/59/720364759.db2.gz NYMMNLCHMSDCNR-UHFFFAOYSA-N 1 2 446.020 3.302 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(Cl)nc5c4CCC5)CC3)C2=O)cs1 ZINC001164824837 720364765 /nfs/dbraw/zinc/36/47/65/720364765.db2.gz NYMMNLCHMSDCNR-UHFFFAOYSA-N 1 2 446.020 3.302 20 0 IGADLO CCc1cc2c(ccnc2N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)o1 ZINC001164822852 720383620 /nfs/dbraw/zinc/38/36/20/720383620.db2.gz MFGQSYUNABYONA-UHFFFAOYSA-N 1 2 439.585 3.468 20 0 IGADLO CCc1cc2c(ccnc2N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)o1 ZINC001164822852 720383623 /nfs/dbraw/zinc/38/36/23/720383623.db2.gz MFGQSYUNABYONA-UHFFFAOYSA-N 1 2 439.585 3.468 20 0 IGADLO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164828190 720397815 /nfs/dbraw/zinc/39/78/15/720397815.db2.gz IUQIULVXQLFIKD-UHFFFAOYSA-N 1 2 430.850 3.075 20 0 IGADLO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164828112 720398283 /nfs/dbraw/zinc/39/82/83/720398283.db2.gz HVLFIHDIYYYITG-UHFFFAOYSA-N 1 2 430.850 3.075 20 0 IGADLO FC(F)(c1ccc2ncnc(Cl)c2c1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164828091 720398444 /nfs/dbraw/zinc/39/84/44/720398444.db2.gz HRJCCZVEDMOMCL-UHFFFAOYSA-N 1 2 430.850 3.075 20 0 IGADLO COC(=O)c1nc(Cl)ccc1C(F)(F)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164756728 720975430 /nfs/dbraw/zinc/97/54/30/720975430.db2.gz JVOLRZWXSZKKTF-CQSZACIVSA-N 1 2 440.878 3.326 20 0 IGADLO CN(C)c1cc(Cl)nc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)n1 ZINC001164763063 721272167 /nfs/dbraw/zinc/27/21/67/721272167.db2.gz BHAIDQILUUMJQM-AWEZNQCLSA-N 1 2 449.893 3.048 20 0 IGADLO COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164790450 721408066 /nfs/dbraw/zinc/40/80/66/721408066.db2.gz XTIJDKRHGYGCMZ-RYUDHWBXSA-N 1 2 428.892 3.091 20 0 IGADLO COc1ccc2nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cc(C)c2c1 ZINC001164916423 721783249 /nfs/dbraw/zinc/78/32/49/721783249.db2.gz QSRSKXZBOGPHPZ-VWLOTQADSA-N 1 2 434.540 3.055 20 0 IGADLO COc1ccc2nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cc(C)c2c1 ZINC001164916423 721783250 /nfs/dbraw/zinc/78/32/50/721783250.db2.gz QSRSKXZBOGPHPZ-VWLOTQADSA-N 1 2 434.540 3.055 20 0 IGADLO Cc1ccc(F)c2cc(C)c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc12 ZINC001164916410 721788677 /nfs/dbraw/zinc/78/86/77/721788677.db2.gz QRAVXXRJXMZABS-RUZDIDTESA-N 1 2 436.531 3.494 20 0 IGADLO Cc1ccc(F)c2cc(C)c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc12 ZINC001164916410 721788681 /nfs/dbraw/zinc/78/86/81/721788681.db2.gz QRAVXXRJXMZABS-RUZDIDTESA-N 1 2 436.531 3.494 20 0 IGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cnc(OCc3ccccc3)cn1)CC2 ZINC001164947278 721977101 /nfs/dbraw/zinc/97/71/01/721977101.db2.gz OHQDORTUWLBKJI-UHFFFAOYSA-N 1 2 443.551 3.027 20 0 IGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cnc(OCc3ccccc3)cn1)CC2 ZINC001164947278 721977105 /nfs/dbraw/zinc/97/71/05/721977105.db2.gz OHQDORTUWLBKJI-UHFFFAOYSA-N 1 2 443.551 3.027 20 0 IGADLO Cc1ccc(-c2ccc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nn2)cc1 ZINC001164945116 721978014 /nfs/dbraw/zinc/97/80/14/721978014.db2.gz CTXDDGGUDGKACP-UHFFFAOYSA-N 1 2 427.552 3.423 20 0 IGADLO Cc1ccc(-c2ccc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nn2)cc1 ZINC001164945116 721978019 /nfs/dbraw/zinc/97/80/19/721978019.db2.gz CTXDDGGUDGKACP-UHFFFAOYSA-N 1 2 427.552 3.423 20 0 IGADLO COc1ccc(-c2ccc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nn2)cc1 ZINC001164945148 721978414 /nfs/dbraw/zinc/97/84/14/721978414.db2.gz DVQIDIKOHJSUSW-UHFFFAOYSA-N 1 2 443.551 3.123 20 0 IGADLO COc1ccc(-c2ccc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nn2)cc1 ZINC001164945148 721978416 /nfs/dbraw/zinc/97/84/16/721978416.db2.gz DVQIDIKOHJSUSW-UHFFFAOYSA-N 1 2 443.551 3.123 20 0 IGADLO COC(=O)c1c(C)cc(C)[nH+]c1N1CC[C@@H]2OCCN(Cc3csc(C)n3)[C@H]2CC1 ZINC001164992196 722181156 /nfs/dbraw/zinc/18/11/56/722181156.db2.gz RZJZWFMMNICPLT-OALUTQOASA-N 1 2 430.574 3.120 20 0 IGADLO O=C(c1cccnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1)N1CCCC1 ZINC001164666899 719492296 /nfs/dbraw/zinc/49/22/96/719492296.db2.gz HFEVLWVQSODOKR-UHFFFAOYSA-N 1 2 438.547 3.328 20 0 IGADLO O=C(c1cccnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1)N1CCCC1 ZINC001164666899 719492310 /nfs/dbraw/zinc/49/23/10/719492310.db2.gz HFEVLWVQSODOKR-UHFFFAOYSA-N 1 2 438.547 3.328 20 0 IGADLO CC(C)(C)C(=O)Nc1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nn1 ZINC001164674453 719508236 /nfs/dbraw/zinc/50/82/36/719508236.db2.gz XRKLNLZKHJHBQM-UHFFFAOYSA-N 1 2 441.551 3.472 20 0 IGADLO CC(C)(C)C(=O)Nc1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nn1 ZINC001164674453 719508253 /nfs/dbraw/zinc/50/82/53/719508253.db2.gz XRKLNLZKHJHBQM-UHFFFAOYSA-N 1 2 441.551 3.472 20 0 IGADLO CCOC(=O)Cc1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001164673085 719508944 /nfs/dbraw/zinc/50/89/44/719508944.db2.gz NBOCTCCKLSPCSW-UHFFFAOYSA-N 1 2 427.520 3.198 20 0 IGADLO CCOC(=O)Cc1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001164673085 719508951 /nfs/dbraw/zinc/50/89/51/719508951.db2.gz NBOCTCCKLSPCSW-UHFFFAOYSA-N 1 2 427.520 3.198 20 0 IGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1c(C)nc(-c2ccccc2)nc1Cl ZINC001164706634 719870977 /nfs/dbraw/zinc/87/09/77/719870977.db2.gz QFNDFMIMPPUFIH-WZONZLPQSA-N 1 2 444.963 3.338 20 0 IGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)C1(c2ccc(Cl)nc2)CC1 ZINC001164698292 719879694 /nfs/dbraw/zinc/87/96/94/719879694.db2.gz FBYNNMVEQSLKNJ-QFBILLFUSA-N 1 2 443.922 3.088 20 0 IGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)C1(c2ccc(Cl)nc2)CC1 ZINC001164698288 719879800 /nfs/dbraw/zinc/87/98/00/719879800.db2.gz FBYNNMVEQSLKNJ-APWZRJJASA-N 1 2 443.922 3.088 20 0 IGADLO COc1ccc(C(F)(F)N2CCc3c([nH+]cn3C(C)C)[C@H]2CNC(C)=O)nc1Cl ZINC001164724591 720314943 /nfs/dbraw/zinc/31/49/43/720314943.db2.gz RRMFDNTXSJYWFP-CQSZACIVSA-N 1 2 427.883 3.306 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C)nc5ccsc54)CC3)C2=O)cs1 ZINC001164824067 720358106 /nfs/dbraw/zinc/35/81/06/720358106.db2.gz IEODDJDMMTYUBW-UHFFFAOYSA-N 1 2 442.614 3.078 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C)nc5ccsc54)CC3)C2=O)cs1 ZINC001164824067 720358115 /nfs/dbraw/zinc/35/81/15/720358115.db2.gz IEODDJDMMTYUBW-UHFFFAOYSA-N 1 2 442.614 3.078 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5c(C)cccc54)CC3)C2=O)cs1 ZINC001164826482 720362525 /nfs/dbraw/zinc/36/25/25/720362525.db2.gz VSEUNIMDZTUWOM-UHFFFAOYSA-N 1 2 436.585 3.016 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5c(C)cccc54)CC3)C2=O)cs1 ZINC001164826482 720362534 /nfs/dbraw/zinc/36/25/34/720362534.db2.gz VSEUNIMDZTUWOM-UHFFFAOYSA-N 1 2 436.585 3.016 20 0 IGADLO CN(C)c1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)nc(Cl)n1 ZINC001164758305 720981962 /nfs/dbraw/zinc/98/19/62/720981962.db2.gz UZECJGGORBCBPH-CQSZACIVSA-N 1 2 426.899 3.000 20 0 IGADLO CCOc1cc2ncnc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c2cc1OCC ZINC001165010776 721703521 /nfs/dbraw/zinc/70/35/21/721703521.db2.gz MFCRSMQSNVPJCX-UHFFFAOYSA-N 1 2 439.564 3.269 20 0 IGADLO CCOc1cc2ncnc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c2cc1OCC ZINC001165010776 721703531 /nfs/dbraw/zinc/70/35/31/721703531.db2.gz MFCRSMQSNVPJCX-UHFFFAOYSA-N 1 2 439.564 3.269 20 0 IGADLO COc1ccc(-c2ccc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)nn2)c(OC)c1 ZINC001165009994 721716809 /nfs/dbraw/zinc/71/68/09/721716809.db2.gz XNXOOQICLUBSKA-UHFFFAOYSA-N 1 2 437.548 3.003 20 0 IGADLO COc1ccc(-c2ccc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)nn2)c(OC)c1 ZINC001165009994 721716817 /nfs/dbraw/zinc/71/68/17/721716817.db2.gz XNXOOQICLUBSKA-UHFFFAOYSA-N 1 2 437.548 3.003 20 0 IGADLO Cc1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(-c2cccs2)n1 ZINC001164915306 721797004 /nfs/dbraw/zinc/79/70/04/721797004.db2.gz WBAUTTZJKHIASW-HSZRJFAPSA-N 1 2 437.569 3.016 20 0 IGADLO Cc1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(-c2cccs2)n1 ZINC001164915306 721797005 /nfs/dbraw/zinc/79/70/05/721797005.db2.gz WBAUTTZJKHIASW-HSZRJFAPSA-N 1 2 437.569 3.016 20 0 IGADLO Cc1cc(-c2cccc(F)c2)nnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914949 721800033 /nfs/dbraw/zinc/80/00/33/721800033.db2.gz RUXZFAGHYZPKIZ-VWLOTQADSA-N 1 2 449.530 3.094 20 0 IGADLO Cc1cc(-c2cccc(F)c2)nnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914949 721800035 /nfs/dbraw/zinc/80/00/35/721800035.db2.gz RUXZFAGHYZPKIZ-VWLOTQADSA-N 1 2 449.530 3.094 20 0 IGADLO COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC001165044750 721957340 /nfs/dbraw/zinc/95/73/40/721957340.db2.gz PHXCNTCXABUYLS-UHFFFAOYSA-N 1 2 425.863 3.268 20 0 IGADLO Cc1cccc(-c2ccc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nn2)c1 ZINC001164945121 721979130 /nfs/dbraw/zinc/97/91/30/721979130.db2.gz CYTWRCNTAAEXOY-UHFFFAOYSA-N 1 2 427.552 3.423 20 0 IGADLO Cc1cccc(-c2ccc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nn2)c1 ZINC001164945121 721979132 /nfs/dbraw/zinc/97/91/32/721979132.db2.gz CYTWRCNTAAEXOY-UHFFFAOYSA-N 1 2 427.552 3.423 20 0 IGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nccc(Oc3ccc(F)cc3)n1)CC2 ZINC001164950463 721979425 /nfs/dbraw/zinc/97/94/25/721979425.db2.gz UZRJYDDNMFLFGX-UHFFFAOYSA-N 1 2 447.514 3.379 20 0 IGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nccc(Oc3ccc(F)cc3)n1)CC2 ZINC001164950463 721979427 /nfs/dbraw/zinc/97/94/27/721979427.db2.gz UZRJYDDNMFLFGX-UHFFFAOYSA-N 1 2 447.514 3.379 20 0 IGADLO Cc1nc(C)c(-c2ccc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nn2)s1 ZINC001164951341 721980263 /nfs/dbraw/zinc/98/02/63/721980263.db2.gz YROHIJGULALUSL-UHFFFAOYSA-N 1 2 448.596 3.188 20 0 IGADLO Cc1nc(C)c(-c2ccc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nn2)s1 ZINC001164951341 721980265 /nfs/dbraw/zinc/98/02/65/721980265.db2.gz YROHIJGULALUSL-UHFFFAOYSA-N 1 2 448.596 3.188 20 0 IGADLO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165056194 722019972 /nfs/dbraw/zinc/01/99/72/722019972.db2.gz ZMLAYIOJCQFDLU-UHFFFAOYSA-N 1 2 425.867 3.132 20 0 IGADLO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCC[C@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 ZINC001165000237 722218966 /nfs/dbraw/zinc/21/89/66/722218966.db2.gz VSQAUADUZNWBTR-QFIPXVFZSA-N 1 2 427.936 3.292 20 0 IGADLO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCC[C@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 ZINC001165000237 722218971 /nfs/dbraw/zinc/21/89/71/722218971.db2.gz VSQAUADUZNWBTR-QFIPXVFZSA-N 1 2 427.936 3.292 20 0 IGADLO O=C(c1cccnc1N1CCC2(C[C@H]2CCO)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164392798 718811173 /nfs/dbraw/zinc/81/11/73/718811173.db2.gz OYWGLKRWRQAZDE-JOCHJYFZSA-N 1 2 434.584 3.029 20 0 IGADLO COc1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1NC(C)C ZINC001164668817 719491430 /nfs/dbraw/zinc/49/14/30/719491430.db2.gz REFVIOGQVZBVBJ-UHFFFAOYSA-N 1 2 429.540 3.316 20 0 IGADLO COc1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1NC(C)C ZINC001164668817 719491438 /nfs/dbraw/zinc/49/14/38/719491438.db2.gz REFVIOGQVZBVBJ-UHFFFAOYSA-N 1 2 429.540 3.316 20 0 IGADLO COC(=O)c1cc(F)c(C)nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164672251 719508033 /nfs/dbraw/zinc/50/80/33/719508033.db2.gz IAQSYOUJFNKJMH-UHFFFAOYSA-N 1 2 431.483 3.326 20 0 IGADLO COC(=O)c1cc(F)c(C)nc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164672251 719508039 /nfs/dbraw/zinc/50/80/39/719508039.db2.gz IAQSYOUJFNKJMH-UHFFFAOYSA-N 1 2 431.483 3.326 20 0 IGADLO Clc1nc2c(c(N3CCc4onc(Cn5cc[nH+]c5)c4C3)n1)CN(Cc1ccccc1)C2 ZINC001164678446 719563500 /nfs/dbraw/zinc/56/35/00/719563500.db2.gz YOGNJAMWSUDRGG-UHFFFAOYSA-N 1 2 447.930 3.441 20 0 IGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cccc(-c2cccc(Cl)n2)n1 ZINC001164705953 719855175 /nfs/dbraw/zinc/85/51/75/719855175.db2.gz VMFHRBFIRPORTH-AOMKIAJQSA-N 1 2 430.936 3.030 20 0 IGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc2c1ccn2Cc1ccccc1 ZINC001164701064 719858586 /nfs/dbraw/zinc/85/85/86/719858586.db2.gz JFXITIVOEOWPHZ-HFZDXXHNSA-N 1 2 448.567 3.317 20 0 IGADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)Cc1nc(Cl)cc(Cl)n1 ZINC001164725473 720315287 /nfs/dbraw/zinc/31/52/87/720315287.db2.gz VRYZTDZMDCIMMT-ZDUSSCGKSA-N 1 2 447.317 3.432 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(-c5ccccc5)nn4)CC3)C2=O)cs1 ZINC001164824841 720362552 /nfs/dbraw/zinc/36/25/52/720362552.db2.gz OEINBICNPJSAFP-UHFFFAOYSA-N 1 2 448.596 3.222 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(-c5ccccc5)nn4)CC3)C2=O)cs1 ZINC001164824841 720362559 /nfs/dbraw/zinc/36/25/59/720362559.db2.gz OEINBICNPJSAFP-UHFFFAOYSA-N 1 2 448.596 3.222 20 0 IGADLO FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164829388 720398164 /nfs/dbraw/zinc/39/81/64/720398164.db2.gz MWWUGHKGIRAHPR-UHFFFAOYSA-N 1 2 430.850 3.075 20 0 IGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)nc3ccsc31)C2 ZINC001164821876 720445396 /nfs/dbraw/zinc/44/53/96/720445396.db2.gz AARKQEHVEQXLMO-OAHLLOKOSA-N 1 2 447.992 3.136 20 0 IGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc3c(Cl)cccc31)C2 ZINC001164825740 720450008 /nfs/dbraw/zinc/45/00/08/720450008.db2.gz URAIZPAWFSFKCI-QGZVFWFLSA-N 1 2 441.963 3.074 20 0 IGADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cc(Cl)ncc1Cl)C2 ZINC001164859448 720895392 /nfs/dbraw/zinc/89/53/92/720895392.db2.gz RFTQACWENMXCRV-UHFFFAOYSA-N 1 2 441.269 3.145 20 0 IGADLO O=C1CCC2(CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC2)N1CC1CC1 ZINC001164774359 721306135 /nfs/dbraw/zinc/30/61/35/721306135.db2.gz ALYRMMVRRWUOLC-UHFFFAOYSA-N 1 2 431.584 3.406 20 0 IGADLO O=C1CCC2(CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC2)N1CC1CC1 ZINC001164774359 721306138 /nfs/dbraw/zinc/30/61/38/721306138.db2.gz ALYRMMVRRWUOLC-UHFFFAOYSA-N 1 2 431.584 3.406 20 0 IGADLO COC(=O)c1ccc(C(F)(F)N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc1Cl ZINC001164782820 721400349 /nfs/dbraw/zinc/40/03/49/721400349.db2.gz FVHYTDLHLAAZSM-VXGBXAGGSA-N 1 2 428.892 3.091 20 0 IGADLO COc1ccc2nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c(C)cc2c1 ZINC001164912724 721768547 /nfs/dbraw/zinc/76/85/47/721768547.db2.gz OXTAMRLSMRYRSU-VWLOTQADSA-N 1 2 434.540 3.055 20 0 IGADLO COc1ccc2nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c(C)cc2c1 ZINC001164912724 721768553 /nfs/dbraw/zinc/76/85/53/721768553.db2.gz OXTAMRLSMRYRSU-VWLOTQADSA-N 1 2 434.540 3.055 20 0 IGADLO Cc1ccc(Cl)nc1C(F)(F)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916760 721787448 /nfs/dbraw/zinc/78/74/48/721787448.db2.gz TWFYSBLPXLWOCF-FQEVSTJZSA-N 1 2 438.906 3.091 20 0 IGADLO Cc1ccc(Cl)nc1C(F)(F)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916760 721787450 /nfs/dbraw/zinc/78/74/50/721787450.db2.gz TWFYSBLPXLWOCF-FQEVSTJZSA-N 1 2 438.906 3.091 20 0 IGADLO CCCCOc1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164916057 721791539 /nfs/dbraw/zinc/79/15/39/721791539.db2.gz ONGSFRBQFDLAGR-QHCPKHFHSA-N 1 2 446.979 3.417 20 0 IGADLO CCCCOc1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164916057 721791542 /nfs/dbraw/zinc/79/15/42/721791542.db2.gz ONGSFRBQFDLAGR-QHCPKHFHSA-N 1 2 446.979 3.417 20 0 IGADLO CC(C)c1nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cc(C(C)(C)C)n1 ZINC001164915771 721797051 /nfs/dbraw/zinc/79/70/51/721797051.db2.gz ZUICWCHUGUHAND-VWLOTQADSA-N 1 2 439.604 3.400 20 0 IGADLO CC(C)c1nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cc(C(C)(C)C)n1 ZINC001164915771 721797053 /nfs/dbraw/zinc/79/70/53/721797053.db2.gz ZUICWCHUGUHAND-VWLOTQADSA-N 1 2 439.604 3.400 20 0 IGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(C(=O)OCc3ccccc3)cn2)CC1 ZINC001164918982 721819644 /nfs/dbraw/zinc/81/96/44/721819644.db2.gz XWUBFWBGQBTZQT-UHFFFAOYSA-N 1 2 431.540 3.385 20 0 IGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncc(C(=O)N3CCCCC3)cc2Cl)CC1 ZINC001164918304 721819845 /nfs/dbraw/zinc/81/98/45/721819845.db2.gz MZMOLMZASMBNHA-UHFFFAOYSA-N 1 2 442.995 3.307 20 0 IGADLO COc1ccc(-c2ccc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)nn2)c(OC)c1 ZINC001164919904 721820136 /nfs/dbraw/zinc/82/01/36/721820136.db2.gz XJSLCCHZFOESDU-UHFFFAOYSA-N 1 2 434.544 3.107 20 0 IGADLO CCOC(=O)c1cnc(C(F)(F)N2CC[NH+](CCOc3ccccc3)CC2)nc1Cl ZINC001165043013 721952679 /nfs/dbraw/zinc/95/26/79/721952679.db2.gz XWOPTRZJMXUDNR-UHFFFAOYSA-N 1 2 440.878 3.053 20 0 IGADLO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165042652 721952907 /nfs/dbraw/zinc/95/29/07/721952907.db2.gz PKZBVWJXBCUTFF-UHFFFAOYSA-N 1 2 440.878 3.053 20 0 IGADLO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165044327 721955809 /nfs/dbraw/zinc/95/58/09/721955809.db2.gz LXFYSHZIPVJQGS-UHFFFAOYSA-N 1 2 425.863 3.268 20 0 IGADLO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165045576 721959453 /nfs/dbraw/zinc/95/94/53/721959453.db2.gz ZMHSOXXBYUGKKR-UHFFFAOYSA-N 1 2 425.863 3.268 20 0 IGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nccc(OCc3ccccc3)n1)CC2 ZINC001164944142 721973666 /nfs/dbraw/zinc/97/36/66/721973666.db2.gz HAVUATDVAMPPAC-UHFFFAOYSA-N 1 2 443.551 3.027 20 0 IGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nccc(OCc3ccccc3)n1)CC2 ZINC001164944142 721973668 /nfs/dbraw/zinc/97/36/68/721973668.db2.gz HAVUATDVAMPPAC-UHFFFAOYSA-N 1 2 443.551 3.027 20 0 IGADLO CCOC(=O)c1cc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)ncn1 ZINC001164664079 719348400 /nfs/dbraw/zinc/34/84/00/719348400.db2.gz QHWSCZNYRRLVGG-UHFFFAOYSA-N 1 2 446.555 3.348 20 0 IGADLO CCOC(=O)c1cc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)ncn1 ZINC001164664079 719348402 /nfs/dbraw/zinc/34/84/02/719348402.db2.gz QHWSCZNYRRLVGG-UHFFFAOYSA-N 1 2 446.555 3.348 20 0 IGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3c(nn1)CCOC3)CC2 ZINC001164660889 719355391 /nfs/dbraw/zinc/35/53/91/719355391.db2.gz ZJDYVAGSKITHQQ-UHFFFAOYSA-N 1 2 430.556 3.244 20 0 IGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3c(nn1)CCOC3)CC2 ZINC001164660889 719355394 /nfs/dbraw/zinc/35/53/94/719355394.db2.gz ZJDYVAGSKITHQQ-UHFFFAOYSA-N 1 2 430.556 3.244 20 0 IGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(C2CCCCC2)n1 ZINC001164707174 719877592 /nfs/dbraw/zinc/87/75/92/719877592.db2.gz QYHAGZURQTYLEF-JTSKRJEESA-N 1 2 436.984 3.410 20 0 IGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccnc(CSc2ccccc2)n1 ZINC001164708415 719877824 /nfs/dbraw/zinc/87/78/24/719877824.db2.gz ZDIROVCMCFILAL-FDDCHVKYSA-N 1 2 442.585 3.002 20 0 IGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)C1(c2ccc(Cl)nc2)CC1 ZINC001164698290 719879636 /nfs/dbraw/zinc/87/96/36/719879636.db2.gz FBYNNMVEQSLKNJ-LPHOPBHVSA-N 1 2 443.922 3.088 20 0 IGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc2cc(Cl)ncc2cc1OC ZINC001164699028 719880754 /nfs/dbraw/zinc/88/07/54/719880754.db2.gz GQQJWULJITUJED-JTSKRJEESA-N 1 2 433.936 3.130 20 0 IGADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc2ncnc(Cl)c2n1 ZINC001164726202 720315420 /nfs/dbraw/zinc/31/54/20/720315420.db2.gz YJRHTJPKXLSNTO-OAHLLOKOSA-N 1 2 449.893 3.240 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc5cnccc5cc4C)CC3)C2=O)cs1 ZINC001164825999 720382178 /nfs/dbraw/zinc/38/21/78/720382178.db2.gz WGLGYHLMUCXRTN-UHFFFAOYSA-N 1 2 436.585 3.016 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc5cnccc5cc4C)CC3)C2=O)cs1 ZINC001164825999 720382183 /nfs/dbraw/zinc/38/21/83/720382183.db2.gz WGLGYHLMUCXRTN-UHFFFAOYSA-N 1 2 436.585 3.016 20 0 IGADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)C1(c3ccnc(Cl)c3)CC1)C2 ZINC001164857757 720896737 /nfs/dbraw/zinc/89/67/37/720896737.db2.gz JOVPWDWLLXIXGY-UHFFFAOYSA-N 1 2 446.889 3.067 20 0 IGADLO FC(F)[C@](F)(COc1cncc(Cl)n1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164758964 720979899 /nfs/dbraw/zinc/97/98/99/720979899.db2.gz XRWGFMVSRHUINA-LIRRHRJNSA-N 1 2 445.873 3.195 20 0 IGADLO COC(=O)c1cnc(Cl)c(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)c1 ZINC001164755650 720980428 /nfs/dbraw/zinc/98/04/28/720980428.db2.gz BNMXFOBCKYOSCD-AWEZNQCLSA-N 1 2 440.878 3.326 20 0 IGADLO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4[nH]cnc4cc3Cl)C2)C1 ZINC001164780763 721356762 /nfs/dbraw/zinc/35/67/62/721356762.db2.gz HEUSTXHOBCSZIZ-NRFANRHFSA-N 1 2 430.940 3.335 20 0 IGADLO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc4[nH]cnc4cc3Cl)C2)C1 ZINC001164780763 721356766 /nfs/dbraw/zinc/35/67/66/721356766.db2.gz HEUSTXHOBCSZIZ-NRFANRHFSA-N 1 2 430.940 3.335 20 0 IGADLO COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164790454 721408215 /nfs/dbraw/zinc/40/82/15/721408215.db2.gz XTIJDKRHGYGCMZ-TXEJJXNPSA-N 1 2 428.892 3.091 20 0 IGADLO COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164790454 721408217 /nfs/dbraw/zinc/40/82/17/721408217.db2.gz XTIJDKRHGYGCMZ-TXEJJXNPSA-N 1 2 428.892 3.091 20 0 IGADLO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164787377 721433532 /nfs/dbraw/zinc/43/35/32/721433532.db2.gz QNSSLTHJGGRIGQ-BETUJISGSA-N 1 2 438.891 3.355 20 0 IGADLO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164787377 721433536 /nfs/dbraw/zinc/43/35/36/721433536.db2.gz QNSSLTHJGGRIGQ-BETUJISGSA-N 1 2 438.891 3.355 20 0 IGADLO CCOC(=O)c1sc2ncnc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c2c1C ZINC001165008509 721694624 /nfs/dbraw/zinc/69/46/24/721694624.db2.gz KHTBLVLJCZNVRQ-UHFFFAOYSA-N 1 2 443.577 3.018 20 0 IGADLO CCOC(=O)c1sc2ncnc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c2c1C ZINC001165008509 721694626 /nfs/dbraw/zinc/69/46/26/721694626.db2.gz KHTBLVLJCZNVRQ-UHFFFAOYSA-N 1 2 443.577 3.018 20 0 IGADLO COc1ccc(Oc2cc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)nc(C)n2)cc1 ZINC001165012046 721719387 /nfs/dbraw/zinc/71/93/87/721719387.db2.gz ZSTUDQGARCOLGJ-UHFFFAOYSA-N 1 2 437.548 3.428 20 0 IGADLO COc1ccc(Oc2cc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)nc(C)n2)cc1 ZINC001165012046 721719395 /nfs/dbraw/zinc/71/93/95/721719395.db2.gz ZSTUDQGARCOLGJ-UHFFFAOYSA-N 1 2 437.548 3.428 20 0 IGADLO FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165054769 722016407 /nfs/dbraw/zinc/01/64/07/722016407.db2.gz BSBLYPNAXTXYAC-UHFFFAOYSA-N 1 2 430.890 3.497 20 0 IGADLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N5CCCCC5)[nH+]cn4)CC[C@@H]32)cs1 ZINC001164988142 722185042 /nfs/dbraw/zinc/18/50/42/722185042.db2.gz MASOMJXKRCEJEK-VQTJNVASSA-N 1 2 428.606 3.102 20 0 IGADLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N5CCCCC5)nc[nH+]4)CC[C@@H]32)cs1 ZINC001164988142 722185043 /nfs/dbraw/zinc/18/50/43/722185043.db2.gz MASOMJXKRCEJEK-VQTJNVASSA-N 1 2 428.606 3.102 20 0 IGADLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N5CCC[C@@H](C)C5)nc[nH+]4)CC[C@H]32)cs1 ZINC001164987356 722185919 /nfs/dbraw/zinc/18/59/19/722185919.db2.gz JXVTXELMANLOBS-DUXKGJEZSA-N 1 2 442.633 3.348 20 0 IGADLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N5CCC[C@@H](C)C5)[nH+]cn4)CC[C@H]32)cs1 ZINC001164987356 722185920 /nfs/dbraw/zinc/18/59/20/722185920.db2.gz JXVTXELMANLOBS-DUXKGJEZSA-N 1 2 442.633 3.348 20 0 IGADLO O=C(c1cccnc1N1CCC2(C[C@@H]2CCO)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164392800 718811147 /nfs/dbraw/zinc/81/11/47/718811147.db2.gz OYWGLKRWRQAZDE-QFIPXVFZSA-N 1 2 434.584 3.029 20 0 IGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(=O)N(C)C)cn1)CC2 ZINC001164664153 719348792 /nfs/dbraw/zinc/34/87/92/719348792.db2.gz SLELNWDDWCXXLZ-UHFFFAOYSA-N 1 2 444.583 3.478 20 0 IGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(=O)N(C)C)cn1)CC2 ZINC001164664153 719348795 /nfs/dbraw/zinc/34/87/95/719348795.db2.gz SLELNWDDWCXXLZ-UHFFFAOYSA-N 1 2 444.583 3.478 20 0 IGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(F)cc1C(N)=O)CC2 ZINC001164657950 719352447 /nfs/dbraw/zinc/35/24/47/719352447.db2.gz AHPZOYXHZXBYLY-UHFFFAOYSA-N 1 2 434.519 3.014 20 0 IGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(F)cc1C(N)=O)CC2 ZINC001164657950 719352450 /nfs/dbraw/zinc/35/24/50/719352450.db2.gz AHPZOYXHZXBYLY-UHFFFAOYSA-N 1 2 434.519 3.014 20 0 IGADLO O=c1ccccn1Cc1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001164671748 719524447 /nfs/dbraw/zinc/52/44/47/719524447.db2.gz JJRZHZIEOPJPRV-UHFFFAOYSA-N 1 2 448.542 3.302 20 0 IGADLO O=c1ccccn1Cc1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001164671748 719524454 /nfs/dbraw/zinc/52/44/54/719524454.db2.gz JJRZHZIEOPJPRV-UHFFFAOYSA-N 1 2 448.542 3.302 20 0 IGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccnc(Cl)c2)ccn1 ZINC001164703291 719846354 /nfs/dbraw/zinc/84/63/54/719846354.db2.gz PXXLEFXUCBWCBE-GCJKJVERSA-N 1 2 430.936 3.030 20 0 IGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2cc(C)c(C)cc2nc1Cl ZINC001164700111 719860800 /nfs/dbraw/zinc/86/08/00/719860800.db2.gz GLRMIFDWLGPFHJ-AOMKIAJQSA-N 1 2 432.952 3.133 20 0 IGADLO CCCCOc1cnc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c(Cl)c1 ZINC001164703812 719865048 /nfs/dbraw/zinc/86/50/48/719865048.db2.gz KRHMBBZYWRTLIU-KKSFZXQISA-N 1 2 425.957 3.147 20 0 IGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C(C)(C)C)nc(C(C)(C)C)n1 ZINC001164700597 719866950 /nfs/dbraw/zinc/86/69/50/719866950.db2.gz DZQUGTZVYDGTOJ-MZNJEOGPSA-N 1 2 432.609 3.304 20 0 IGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2cccc(Cl)c2)ncn1 ZINC001164706542 719870659 /nfs/dbraw/zinc/87/06/59/719870659.db2.gz PTNYJVBIRVFGIC-PGRDOPGGSA-N 1 2 430.936 3.030 20 0 IGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncccc1OCc1ccc(F)cc1 ZINC001164701811 719871653 /nfs/dbraw/zinc/87/16/53/719871653.db2.gz HSSSPDKCXKETJZ-YKSBVNFPSA-N 1 2 443.519 3.032 20 0 IGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccc(Cl)nn2)ccc1F ZINC001164708018 719872372 /nfs/dbraw/zinc/87/23/72/719872372.db2.gz XGKKNBIPDMLNQX-OPAMFIHVSA-N 1 2 448.926 3.169 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc5ccsc54)CC3)C2=O)cs1 ZINC001164823993 720365395 /nfs/dbraw/zinc/36/53/95/720365395.db2.gz GJIMACKRLXBXBH-UHFFFAOYSA-N 1 2 427.599 3.374 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc5ccsc54)CC3)C2=O)cs1 ZINC001164823993 720365403 /nfs/dbraw/zinc/36/54/03/720365403.db2.gz GJIMACKRLXBXBH-UHFFFAOYSA-N 1 2 427.599 3.374 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc5ccc(F)cc5n4)CC3)C2=O)cs1 ZINC001164820365 720380097 /nfs/dbraw/zinc/38/00/97/720380097.db2.gz OWYPDLDIVNDADF-UHFFFAOYSA-N 1 2 439.560 3.452 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc5ccc(F)cc5n4)CC3)C2=O)cs1 ZINC001164820365 720380104 /nfs/dbraw/zinc/38/01/04/720380104.db2.gz OWYPDLDIVNDADF-UHFFFAOYSA-N 1 2 439.560 3.452 20 0 IGADLO CCCSc1cncc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164822959 720380621 /nfs/dbraw/zinc/38/06/21/720380621.db2.gz NXYFTUVCMUNZIF-UHFFFAOYSA-N 1 2 446.646 3.057 20 0 IGADLO CCCSc1cncc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164822959 720380630 /nfs/dbraw/zinc/38/06/30/720380630.db2.gz NXYFTUVCMUNZIF-UHFFFAOYSA-N 1 2 446.646 3.057 20 0 IGADLO CSc1cnc(Cl)c(C(F)(F)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)c1 ZINC001164829893 720399429 /nfs/dbraw/zinc/39/94/29/720399429.db2.gz OPZGFHRPDZNBPL-UHFFFAOYSA-N 1 2 425.896 3.248 20 0 IGADLO c1ncn2c1CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C[C@@H](COCC1CC1)C2 ZINC001164757807 720974636 /nfs/dbraw/zinc/97/46/36/720974636.db2.gz QTTKQXYUMKXMHQ-JOCHJYFZSA-N 1 2 444.583 3.294 20 0 IGADLO c1ncn2c1CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C[C@@H](COCC1CC1)C2 ZINC001164757807 720974641 /nfs/dbraw/zinc/97/46/41/720974641.db2.gz QTTKQXYUMKXMHQ-JOCHJYFZSA-N 1 2 444.583 3.294 20 0 IGADLO COC(=O)c1ccc(C(F)(F)N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)nc1Cl ZINC001164782818 721400317 /nfs/dbraw/zinc/40/03/17/721400317.db2.gz FVHYTDLHLAAZSM-RYUDHWBXSA-N 1 2 428.892 3.091 20 0 IGADLO COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c1 ZINC001164790940 721423096 /nfs/dbraw/zinc/42/30/96/721423096.db2.gz YMOGJMMPDRKOOU-CHWSQXEVSA-N 1 2 428.892 3.091 20 0 IGADLO Cc1ccc(C(F)(F)N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1Cl ZINC001164917900 721785260 /nfs/dbraw/zinc/78/52/60/721785260.db2.gz ZOADMPANZGBKAM-FQEVSTJZSA-N 1 2 438.906 3.091 20 0 IGADLO Cc1ccc(C(F)(F)N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1Cl ZINC001164917900 721785262 /nfs/dbraw/zinc/78/52/62/721785262.db2.gz ZOADMPANZGBKAM-FQEVSTJZSA-N 1 2 438.906 3.091 20 0 IGADLO CCc1ccc(-c2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)cc1 ZINC001164915313 721797297 /nfs/dbraw/zinc/79/72/97/721797297.db2.gz WBRQJHAESAASQT-SANMLTNESA-N 1 2 445.567 3.209 20 0 IGADLO CCc1ccc(-c2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)cc1 ZINC001164915313 721797301 /nfs/dbraw/zinc/79/73/01/721797301.db2.gz WBRQJHAESAASQT-SANMLTNESA-N 1 2 445.567 3.209 20 0 IGADLO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC2(CC1)c1ncc(C)n1CC[N@H+]2C ZINC001164916847 721815439 /nfs/dbraw/zinc/81/54/39/721815439.db2.gz IQPIONKPZAYVAY-UHFFFAOYSA-N 1 2 439.894 3.013 20 0 IGADLO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC2(CC1)c1ncc(C)n1CC[N@@H+]2C ZINC001164916847 721815442 /nfs/dbraw/zinc/81/54/42/721815442.db2.gz IQPIONKPZAYVAY-UHFFFAOYSA-N 1 2 439.894 3.013 20 0 IGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)ccc2C(=O)NC(C)(C)C)CC1 ZINC001164917834 721816661 /nfs/dbraw/zinc/81/66/61/721816661.db2.gz IXRJKMSAHINFIK-UHFFFAOYSA-N 1 2 430.984 3.209 20 0 IGADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)CC1 ZINC001164917118 721817789 /nfs/dbraw/zinc/81/77/89/721817789.db2.gz BNIUNCRFEAJRGA-UHFFFAOYSA-N 1 2 431.318 3.360 20 0 IGADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)Cc2nc(Cl)cc(Cl)n2)CC1 ZINC001164917118 721817792 /nfs/dbraw/zinc/81/77/92/721817792.db2.gz BNIUNCRFEAJRGA-UHFFFAOYSA-N 1 2 431.318 3.360 20 0 IGADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CC[NH+](C3CCCC3)CC2)cc1 ZINC001165032665 721858654 /nfs/dbraw/zinc/85/86/54/721858654.db2.gz YINJKOXOLJBTRC-UHFFFAOYSA-N 1 2 430.574 3.346 20 0 IGADLO COC(=O)c1ccc2nc(Cl)c(N3CC[NH+](CCOc4ccccc4)CC3)nc2c1 ZINC001165043091 721952926 /nfs/dbraw/zinc/95/29/26/721952926.db2.gz ZKRUNXIBZOCQMW-UHFFFAOYSA-N 1 2 426.904 3.271 20 0 IGADLO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165044687 721955260 /nfs/dbraw/zinc/95/52/60/721955260.db2.gz OLKDXHNMROSBIY-UHFFFAOYSA-N 1 2 425.863 3.268 20 0 IGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3c(n1)OCC(=O)N3)CC2 ZINC001164664547 719349704 /nfs/dbraw/zinc/34/97/04/719349704.db2.gz XYRQGAAQUKJEPJ-UHFFFAOYSA-N 1 2 444.539 3.107 20 0 IGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3c(n1)OCC(=O)N3)CC2 ZINC001164664547 719349708 /nfs/dbraw/zinc/34/97/08/719349708.db2.gz XYRQGAAQUKJEPJ-UHFFFAOYSA-N 1 2 444.539 3.107 20 0 IGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cncc(-n3ccnc3)n1)CC2 ZINC001164658977 719352327 /nfs/dbraw/zinc/35/23/27/719352327.db2.gz OCXZZIUKUKGJQB-UHFFFAOYSA-N 1 2 440.555 3.357 20 0 IGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cncc(-n3ccnc3)n1)CC2 ZINC001164658977 719352331 /nfs/dbraw/zinc/35/23/31/719352331.db2.gz OCXZZIUKUKGJQB-UHFFFAOYSA-N 1 2 440.555 3.357 20 0 IGADLO CCOC(=O)c1cnc(Cl)nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164666100 719492620 /nfs/dbraw/zinc/49/26/20/719492620.db2.gz BQCMMGNIJHNQKH-UHFFFAOYSA-N 1 2 448.926 3.317 20 0 IGADLO CCOC(=O)c1cnc(Cl)nc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164666100 719492625 /nfs/dbraw/zinc/49/26/25/719492625.db2.gz BQCMMGNIJHNQKH-UHFFFAOYSA-N 1 2 448.926 3.317 20 0 IGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc2nc(Cl)cnc2cc1Cl ZINC001164698356 719851346 /nfs/dbraw/zinc/85/13/46/719851346.db2.gz BQEPQRLIOLELIL-RNODOKPDSA-N 1 2 439.343 3.169 20 0 IGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc2cc(Cl)ncc2cc1OC ZINC001164699033 719880421 /nfs/dbraw/zinc/88/04/21/719880421.db2.gz GQQJWULJITUJED-VGSWGCGISA-N 1 2 433.936 3.130 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cnc5cccc(C)c5n4)CC3)C2=O)cs1 ZINC001164824095 720366438 /nfs/dbraw/zinc/36/64/38/720366438.db2.gz JAEYOTCPYZHDJX-UHFFFAOYSA-N 1 2 436.585 3.016 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cnc5cccc(C)c5n4)CC3)C2=O)cs1 ZINC001164824095 720366443 /nfs/dbraw/zinc/36/64/43/720366443.db2.gz JAEYOTCPYZHDJX-UHFFFAOYSA-N 1 2 436.585 3.016 20 0 IGADLO Cc1cc2ncnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)c2s1 ZINC001164821019 720376263 /nfs/dbraw/zinc/37/62/63/720376263.db2.gz VWVKZARQDUZMKI-UHFFFAOYSA-N 1 2 442.614 3.078 20 0 IGADLO Cc1cc2ncnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)c2s1 ZINC001164821019 720376267 /nfs/dbraw/zinc/37/62/67/720376267.db2.gz VWVKZARQDUZMKI-UHFFFAOYSA-N 1 2 442.614 3.078 20 0 IGADLO COC[C@@]12CCC[C@H]1CN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001164847404 720789373 /nfs/dbraw/zinc/78/93/73/720789373.db2.gz MTGYAFPVGAEOIU-NVQXNPDNSA-N 1 2 434.584 3.293 20 0 IGADLO CN(C)c1cc(Cl)nc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)n1 ZINC001164756017 720974575 /nfs/dbraw/zinc/97/45/75/720974575.db2.gz CZUFOUFNQJMCLS-AWEZNQCLSA-N 1 2 426.899 3.000 20 0 IGADLO COC(=O)c1cnc(Cl)cc1C(F)(F)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164757611 720980710 /nfs/dbraw/zinc/98/07/10/720980710.db2.gz PLDHUFBUSZLLHH-CQSZACIVSA-N 1 2 440.878 3.326 20 0 IGADLO FC(F)(c1ccc2ncnc(Cl)c2n1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164872875 721219397 /nfs/dbraw/zinc/21/93/97/721219397.db2.gz ORYPZJYFGISUAM-UHFFFAOYSA-N 1 2 446.889 3.494 20 0 IGADLO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164786828 721397164 /nfs/dbraw/zinc/39/71/64/721397164.db2.gz PGCFIZFVRFOBQK-OKILXGFUSA-N 1 2 440.951 3.300 20 0 IGADLO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164786828 721397173 /nfs/dbraw/zinc/39/71/73/721397173.db2.gz PGCFIZFVRFOBQK-OKILXGFUSA-N 1 2 440.951 3.300 20 0 IGADLO COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164786738 721405829 /nfs/dbraw/zinc/40/58/29/721405829.db2.gz PBNTXTAKKDZITO-VXGBXAGGSA-N 1 2 428.892 3.091 20 0 IGADLO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164787379 721433951 /nfs/dbraw/zinc/43/39/51/721433951.db2.gz QNSSLTHJGGRIGQ-CHWSQXEVSA-N 1 2 438.891 3.355 20 0 IGADLO FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164787381 721434144 /nfs/dbraw/zinc/43/41/44/721434144.db2.gz QNSSLTHJGGRIGQ-STQMWFEESA-N 1 2 438.891 3.355 20 0 IGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc(Oc3ccc(F)cc3)n1)C2 ZINC001165008231 721707544 /nfs/dbraw/zinc/70/75/44/721707544.db2.gz CVHJYPQBXPARJJ-UHFFFAOYSA-N 1 2 446.918 3.298 20 0 IGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc(Oc3ccc(F)cc3)n1)C2 ZINC001165008231 721707553 /nfs/dbraw/zinc/70/75/53/721707553.db2.gz CVHJYPQBXPARJJ-UHFFFAOYSA-N 1 2 446.918 3.298 20 0 IGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1c3c(nnc1Cl)CCC3)C2 ZINC001165009396 721714009 /nfs/dbraw/zinc/71/40/09/721714009.db2.gz TUSPUGHOSDEUSV-UHFFFAOYSA-N 1 2 425.915 3.006 20 0 IGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1c3c(nnc1Cl)CCC3)C2 ZINC001165009396 721714015 /nfs/dbraw/zinc/71/40/15/721714015.db2.gz TUSPUGHOSDEUSV-UHFFFAOYSA-N 1 2 425.915 3.006 20 0 IGADLO Cc1cc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001165011705 721719449 /nfs/dbraw/zinc/71/94/49/721719449.db2.gz SGWHOCIRCLMWED-UHFFFAOYSA-N 1 2 426.956 3.342 20 0 IGADLO Cc1cc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001165011705 721719457 /nfs/dbraw/zinc/71/94/57/721719457.db2.gz SGWHOCIRCLMWED-UHFFFAOYSA-N 1 2 426.956 3.342 20 0 IGADLO Cc1cc(C(F)(F)N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cc(Cl)n1 ZINC001164912867 721768998 /nfs/dbraw/zinc/76/89/98/721768998.db2.gz RCVZAVSGZRMGDK-FQEVSTJZSA-N 1 2 438.906 3.091 20 0 IGADLO Cc1cc(C(F)(F)N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cc(Cl)n1 ZINC001164912867 721769004 /nfs/dbraw/zinc/76/90/04/721769004.db2.gz RCVZAVSGZRMGDK-FQEVSTJZSA-N 1 2 438.906 3.091 20 0 IGADLO CCN(CC)C(=O)c1cc(Cl)nc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)c1 ZINC001164918831 721816779 /nfs/dbraw/zinc/81/67/79/721816779.db2.gz VJEJRHRBNZVMAN-UHFFFAOYSA-N 1 2 430.984 3.163 20 0 IGADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2ccc3ncnc(Cl)c3n2)CC1 ZINC001164919058 721817138 /nfs/dbraw/zinc/81/71/38/721817138.db2.gz ZEXOOKIWNNYFNH-UHFFFAOYSA-N 1 2 433.894 3.169 20 0 IGADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2ccc3ncnc(Cl)c3n2)CC1 ZINC001164919058 721817139 /nfs/dbraw/zinc/81/71/39/721817139.db2.gz ZEXOOKIWNNYFNH-UHFFFAOYSA-N 1 2 433.894 3.169 20 0 IGADLO O=C(c1cccnc1N1CC[C@@H](c2ccncc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001165040913 721928062 /nfs/dbraw/zinc/92/80/62/721928062.db2.gz UCCAEXKMBTWFJC-HSZRJFAPSA-N 1 2 427.552 3.429 20 0 IGADLO F[C@H](Oc1ccc(Cl)nn1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164415742 718891242 /nfs/dbraw/zinc/89/12/42/718891242.db2.gz AGPLLBZIIMHWRH-BZNIZROVSA-N 1 2 442.676 3.246 20 0 IGADLO CCOC(=O)c1cnc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)cn1 ZINC001164662906 719350049 /nfs/dbraw/zinc/35/00/49/719350049.db2.gz AXPCTHSNQYNRBT-UHFFFAOYSA-N 1 2 446.555 3.348 20 0 IGADLO CCOC(=O)c1cnc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)cn1 ZINC001164662906 719350052 /nfs/dbraw/zinc/35/00/52/719350052.db2.gz AXPCTHSNQYNRBT-UHFFFAOYSA-N 1 2 446.555 3.348 20 0 IGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1C(=O)NC)CC2 ZINC001164659991 719352635 /nfs/dbraw/zinc/35/26/35/719352635.db2.gz TWGHYWUZXSXIKD-UHFFFAOYSA-N 1 2 430.556 3.136 20 0 IGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1C(=O)NC)CC2 ZINC001164659991 719352639 /nfs/dbraw/zinc/35/26/39/719352639.db2.gz TWGHYWUZXSXIKD-UHFFFAOYSA-N 1 2 430.556 3.136 20 0 IGADLO CON(C)C(=O)c1cc(C)cnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164672571 719516336 /nfs/dbraw/zinc/51/63/36/719516336.db2.gz LEVSHBYJPUVTSQ-UHFFFAOYSA-N 1 2 442.535 3.034 20 0 IGADLO CON(C)C(=O)c1cc(C)cnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164672571 719516339 /nfs/dbraw/zinc/51/63/39/719516339.db2.gz LEVSHBYJPUVTSQ-UHFFFAOYSA-N 1 2 442.535 3.034 20 0 IGADLO CN(C)C(=O)c1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c(Cl)c1 ZINC001164673995 719523893 /nfs/dbraw/zinc/52/38/93/719523893.db2.gz XRZOIYSNJKPKRO-UHFFFAOYSA-N 1 2 446.954 3.447 20 0 IGADLO CN(C)C(=O)c1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c(Cl)c1 ZINC001164673995 719523896 /nfs/dbraw/zinc/52/38/96/719523896.db2.gz XRZOIYSNJKPKRO-UHFFFAOYSA-N 1 2 446.954 3.447 20 0 IGADLO CN1CCc2nc(Cl)nc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c2C1 ZINC001164679362 719529905 /nfs/dbraw/zinc/52/99/05/719529905.db2.gz YPNZAPMRAPMUMD-UHFFFAOYSA-N 1 2 445.970 3.128 20 0 IGADLO CN1CCc2nc(Cl)nc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c2C1 ZINC001164679362 719529916 /nfs/dbraw/zinc/52/99/16/719529916.db2.gz YPNZAPMRAPMUMD-UHFFFAOYSA-N 1 2 445.970 3.128 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cccc(OC(C)(C)C)n4)CC3)C2=O)cs1 ZINC001164819317 720373722 /nfs/dbraw/zinc/37/37/22/720373722.db2.gz CBYULYMJZLIPJZ-UHFFFAOYSA-N 1 2 443.617 3.337 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cccc(OC(C)(C)C)n4)CC3)C2=O)cs1 ZINC001164819317 720373728 /nfs/dbraw/zinc/37/37/28/720373728.db2.gz CBYULYMJZLIPJZ-UHFFFAOYSA-N 1 2 443.617 3.337 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(C)nc(C(C)(C)C)n4)CC3)C2=O)cs1 ZINC001164819925 720381314 /nfs/dbraw/zinc/38/13/14/720381314.db2.gz JAMUAIHZBUJOLE-UHFFFAOYSA-N 1 2 442.633 3.161 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(C)nc(C(C)(C)C)n4)CC3)C2=O)cs1 ZINC001164819925 720381320 /nfs/dbraw/zinc/38/13/20/720381320.db2.gz JAMUAIHZBUJOLE-UHFFFAOYSA-N 1 2 442.633 3.161 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(SC(C)C)nn4)CC3)C2=O)cs1 ZINC001164822842 720382640 /nfs/dbraw/zinc/38/26/40/720382640.db2.gz MESXKONUMYMQSX-UHFFFAOYSA-N 1 2 446.646 3.055 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(SC(C)C)nn4)CC3)C2=O)cs1 ZINC001164822842 720382650 /nfs/dbraw/zinc/38/26/50/720382650.db2.gz MESXKONUMYMQSX-UHFFFAOYSA-N 1 2 446.646 3.055 20 0 IGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc3cc(Cl)ccc3n1)C2 ZINC001164824636 720435286 /nfs/dbraw/zinc/43/52/86/720435286.db2.gz OJJACGQRRJMPGE-GOSISDBHSA-N 1 2 441.963 3.074 20 0 IGADLO COC[C@]12CCC[C@H]1CN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001164847382 720789153 /nfs/dbraw/zinc/78/91/53/720789153.db2.gz MTGYAFPVGAEOIU-BKMJKUGQSA-N 1 2 434.584 3.293 20 0 IGADLO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164786825 721397404 /nfs/dbraw/zinc/39/74/04/721397404.db2.gz PGCFIZFVRFOBQK-KBPBESRZSA-N 1 2 440.951 3.300 20 0 IGADLO Cc1nc(C2CCCCC2)cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914870 721792496 /nfs/dbraw/zinc/79/24/96/721792496.db2.gz GSANUUJHHOSFTQ-RUZDIDTESA-N 1 2 437.588 3.336 20 0 IGADLO Cc1nc(C2CCCCC2)cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914870 721792498 /nfs/dbraw/zinc/79/24/98/721792498.db2.gz GSANUUJHHOSFTQ-RUZDIDTESA-N 1 2 437.588 3.336 20 0 IGADLO Cc1ccc(C)c(-c2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)c1 ZINC001164914736 721796152 /nfs/dbraw/zinc/79/61/52/721796152.db2.gz RBXQBJJJFXLJEJ-AREMUKBSSA-N 1 2 445.567 3.263 20 0 IGADLO Cc1ccc(C)c(-c2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)c1 ZINC001164914736 721796157 /nfs/dbraw/zinc/79/61/57/721796157.db2.gz RBXQBJJJFXLJEJ-AREMUKBSSA-N 1 2 445.567 3.263 20 0 IGADLO Cc1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1-c1ccccc1F ZINC001164915680 721800449 /nfs/dbraw/zinc/80/04/49/721800449.db2.gz XNVZJKMLFUWQFC-RUZDIDTESA-N 1 2 449.530 3.094 20 0 IGADLO Cc1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1-c1ccccc1F ZINC001164915680 721800452 /nfs/dbraw/zinc/80/04/52/721800452.db2.gz XNVZJKMLFUWQFC-RUZDIDTESA-N 1 2 449.530 3.094 20 0 IGADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CC[C@]5(C[C@@H](Oc6cccnc6)CO5)C4)c3C2)cc1 ZINC001164916160 721804901 /nfs/dbraw/zinc/80/49/01/721804901.db2.gz OGWXFCOKMYGBAV-GJZUVCINSA-N 1 2 443.551 3.247 20 0 IGADLO c1ccc(C[N@H+]2CCc3ncnc(N4CC[C@]5(C[C@@H](Oc6cccnc6)CO5)C4)c3C2)cc1 ZINC001164916160 721804903 /nfs/dbraw/zinc/80/49/03/721804903.db2.gz OGWXFCOKMYGBAV-GJZUVCINSA-N 1 2 443.551 3.247 20 0 IGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc(C(=O)N3CCCCC3)cc(Cl)n2)CC1 ZINC001164916128 721813655 /nfs/dbraw/zinc/81/36/55/721813655.db2.gz AFHBPGQGLFENIL-UHFFFAOYSA-N 1 2 442.995 3.307 20 0 IGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc(-c3cccc(F)c3)nn1)CC2 ZINC001164950466 721979626 /nfs/dbraw/zinc/97/96/26/721979626.db2.gz VCCVPYLRNAKQHU-UHFFFAOYSA-N 1 2 431.515 3.254 20 0 IGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc(-c3cccc(F)c3)nn1)CC2 ZINC001164950466 721979630 /nfs/dbraw/zinc/97/96/30/721979630.db2.gz VCCVPYLRNAKQHU-UHFFFAOYSA-N 1 2 431.515 3.254 20 0 IGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncc(F)c(-c3ccsc3)n1)CC2 ZINC001164951018 721981233 /nfs/dbraw/zinc/98/12/33/721981233.db2.gz WUGKPETYSUGYQO-UHFFFAOYSA-N 1 2 437.544 3.315 20 0 IGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncc(F)c(-c3ccsc3)n1)CC2 ZINC001164951018 721981234 /nfs/dbraw/zinc/98/12/34/721981234.db2.gz WUGKPETYSUGYQO-UHFFFAOYSA-N 1 2 437.544 3.315 20 0 IGADLO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165056173 722020496 /nfs/dbraw/zinc/02/04/96/722020496.db2.gz YFYIXZLLXJRGGZ-UHFFFAOYSA-N 1 2 425.867 3.132 20 0 IGADLO CC(C)c1nc(N(C)C)nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164670230 719512268 /nfs/dbraw/zinc/51/22/68/719512268.db2.gz BQZWFXUVLRTMPJ-UHFFFAOYSA-N 1 2 428.556 3.072 20 0 IGADLO CC(C)c1nc(N(C)C)nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164670230 719512273 /nfs/dbraw/zinc/51/22/73/719512273.db2.gz BQZWFXUVLRTMPJ-UHFFFAOYSA-N 1 2 428.556 3.072 20 0 IGADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cncc(N4CCCCC4)n2)CC3)cc1 ZINC001164670252 719517035 /nfs/dbraw/zinc/51/70/35/719517035.db2.gz CDLZNTWCKBXODT-UHFFFAOYSA-N 1 2 425.552 3.477 20 0 IGADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cncc(N4CCCCC4)n2)CC3)cc1 ZINC001164670252 719517055 /nfs/dbraw/zinc/51/70/55/719517055.db2.gz CDLZNTWCKBXODT-UHFFFAOYSA-N 1 2 425.552 3.477 20 0 IGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2cccc(Cl)c2)nn1 ZINC001164706469 719869014 /nfs/dbraw/zinc/86/90/14/719869014.db2.gz PMVZMQGLOCHIJP-GCJKJVERSA-N 1 2 430.936 3.030 20 0 IGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(C2CCCCC2)n1 ZINC001164707175 719877852 /nfs/dbraw/zinc/87/78/52/719877852.db2.gz QYHAGZURQTYLEF-VGOFRKELSA-N 1 2 436.984 3.410 20 0 IGADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)COc1cccc(Cl)n1 ZINC001164721014 720314991 /nfs/dbraw/zinc/31/49/91/720314991.db2.gz CRYSBUCRORLDBB-HNNXBMFYSA-N 1 2 427.883 3.220 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc5cc(C)ccc5n4)CC3)C2=O)cs1 ZINC001164820742 720371485 /nfs/dbraw/zinc/37/14/85/720371485.db2.gz SJLZMCJPVZMHCO-UHFFFAOYSA-N 1 2 436.585 3.016 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc5cc(C)ccc5n4)CC3)C2=O)cs1 ZINC001164820742 720371487 /nfs/dbraw/zinc/37/14/87/720371487.db2.gz SJLZMCJPVZMHCO-UHFFFAOYSA-N 1 2 436.585 3.016 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cnc(-c5ccccc5)cn4)CC3)C2=O)cs1 ZINC001164819699 720379505 /nfs/dbraw/zinc/37/95/05/720379505.db2.gz GMDBBSBKGKGBGD-UHFFFAOYSA-N 1 2 448.596 3.222 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cnc(-c5ccccc5)cn4)CC3)C2=O)cs1 ZINC001164819699 720379509 /nfs/dbraw/zinc/37/95/09/720379509.db2.gz GMDBBSBKGKGBGD-UHFFFAOYSA-N 1 2 448.596 3.222 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nnc(C)c5ccccc54)CC3)C2=O)cs1 ZINC001164820349 720379879 /nfs/dbraw/zinc/37/98/79/720379879.db2.gz OAHBQPPMFRFXRH-UHFFFAOYSA-N 1 2 436.585 3.016 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nnc(C)c5ccccc54)CC3)C2=O)cs1 ZINC001164820349 720379886 /nfs/dbraw/zinc/37/98/86/720379886.db2.gz OAHBQPPMFRFXRH-UHFFFAOYSA-N 1 2 436.585 3.016 20 0 IGADLO Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)O2)n1 ZINC001164832127 720401661 /nfs/dbraw/zinc/40/16/61/720401661.db2.gz ZSFFADHXRRXDHM-FKBYEOEOSA-N 1 2 432.528 3.225 20 0 IGADLO Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)O2)n1 ZINC001164832127 720401665 /nfs/dbraw/zinc/40/16/65/720401665.db2.gz ZSFFADHXRRXDHM-FKBYEOEOSA-N 1 2 432.528 3.225 20 0 IGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc3cccc(Cl)c31)C2 ZINC001164824726 720454397 /nfs/dbraw/zinc/45/43/97/720454397.db2.gz PSXHOYSTORTOBZ-SFHVURJKSA-N 1 2 441.963 3.074 20 0 IGADLO COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c1 ZINC001164790943 721423148 /nfs/dbraw/zinc/42/31/48/721423148.db2.gz YMOGJMMPDRKOOU-STQMWFEESA-N 1 2 428.892 3.091 20 0 IGADLO Cc1cc(Cl)ncc1C(F)(F)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164917475 721783237 /nfs/dbraw/zinc/78/32/37/721783237.db2.gz XICTUGSZCXGCRQ-HXUWFJFHSA-N 1 2 438.906 3.091 20 0 IGADLO Cc1cc(Cl)ncc1C(F)(F)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164917475 721783238 /nfs/dbraw/zinc/78/32/38/721783238.db2.gz XICTUGSZCXGCRQ-HXUWFJFHSA-N 1 2 438.906 3.091 20 0 IGADLO Cc1c(Cl)nc(CC(C)C)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913987 721799885 /nfs/dbraw/zinc/79/98/85/721799885.db2.gz JNGYNNLWFVGZPS-QHCPKHFHSA-N 1 2 445.995 3.140 20 0 IGADLO Cc1c(Cl)nc(CC(C)C)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913987 721799888 /nfs/dbraw/zinc/79/98/88/721799888.db2.gz JNGYNNLWFVGZPS-QHCPKHFHSA-N 1 2 445.995 3.140 20 0 IGADLO CSc1nc2c(c(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)n1)CCCC2 ZINC001164945672 721973259 /nfs/dbraw/zinc/97/32/59/721973259.db2.gz PUFSFBRMVHLBJR-UHFFFAOYSA-N 1 2 437.613 3.048 20 0 IGADLO CSc1nc2c(c(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)n1)CCCC2 ZINC001164945672 721973260 /nfs/dbraw/zinc/97/32/60/721973260.db2.gz PUFSFBRMVHLBJR-UHFFFAOYSA-N 1 2 437.613 3.048 20 0 IGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(OCc3ccccc3)cnn1)CC2 ZINC001164948322 721975654 /nfs/dbraw/zinc/97/56/54/721975654.db2.gz XNBZOHUCKZGWMK-UHFFFAOYSA-N 1 2 443.551 3.027 20 0 IGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(OCc3ccccc3)cnn1)CC2 ZINC001164948322 721975658 /nfs/dbraw/zinc/97/56/58/721975658.db2.gz XNBZOHUCKZGWMK-UHFFFAOYSA-N 1 2 443.551 3.027 20 0 IGADLO COc1cc2ccc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nc2cc1OC ZINC001164948188 721975856 /nfs/dbraw/zinc/97/58/56/721975856.db2.gz VCUBZLWPGDCNIW-UHFFFAOYSA-N 1 2 446.551 3.223 20 0 IGADLO COc1cc2ccc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nc2cc1OC ZINC001164948188 721975858 /nfs/dbraw/zinc/97/58/58/721975858.db2.gz VCUBZLWPGDCNIW-UHFFFAOYSA-N 1 2 446.551 3.223 20 0 IGADLO CC(C)c1noc(-c2ccnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c2)n1 ZINC001164948293 721980233 /nfs/dbraw/zinc/98/02/33/721980233.db2.gz KSGAOIVAHCWRHY-UHFFFAOYSA-N 1 2 446.555 3.226 20 0 IGADLO CC(C)c1noc(-c2ccnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c2)n1 ZINC001164948293 721980235 /nfs/dbraw/zinc/98/02/35/721980235.db2.gz KSGAOIVAHCWRHY-UHFFFAOYSA-N 1 2 446.555 3.226 20 0 IGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(=O)OC)c(N)cn1)CC2 ZINC001164663745 719348632 /nfs/dbraw/zinc/34/86/32/719348632.db2.gz KVFXZNGHJBJKFX-UHFFFAOYSA-N 1 2 446.555 3.145 20 0 IGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(=O)OC)c(N)cn1)CC2 ZINC001164663745 719348633 /nfs/dbraw/zinc/34/86/33/719348633.db2.gz KVFXZNGHJBJKFX-UHFFFAOYSA-N 1 2 446.555 3.145 20 0 IGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(OC)c(OC)n1)CC2 ZINC001164663784 719349971 /nfs/dbraw/zinc/34/99/71/719349971.db2.gz LQJCWVQVJLSVAB-UHFFFAOYSA-N 1 2 434.544 3.189 20 0 IGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(OC)c(OC)n1)CC2 ZINC001164663784 719349974 /nfs/dbraw/zinc/34/99/74/719349974.db2.gz LQJCWVQVJLSVAB-UHFFFAOYSA-N 1 2 434.544 3.189 20 0 IGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cncc(Sc2cccc(C)c2)n1 ZINC001164699274 719863996 /nfs/dbraw/zinc/86/39/96/719863996.db2.gz BLIZUZOQSSRAND-WZONZLPQSA-N 1 2 442.585 3.169 20 0 IGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2cccc(Cl)c2)nn1 ZINC001164706477 719868969 /nfs/dbraw/zinc/86/89/69/719868969.db2.gz PMVZMQGLOCHIJP-XMSQKQJNSA-N 1 2 430.936 3.030 20 0 IGADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)nc1Cl ZINC001164723350 720310899 /nfs/dbraw/zinc/31/08/99/720310899.db2.gz NUALMMDLHYLQDE-CYBMUJFWSA-N 1 2 433.290 3.346 20 0 IGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)nc3ccccc31)C2 ZINC001164826213 720427455 /nfs/dbraw/zinc/42/74/55/720427455.db2.gz OUJAJZXJHMNMCS-QGZVFWFLSA-N 1 2 441.963 3.074 20 0 IGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc3ccccc3cc1Cl)C2 ZINC001164822696 720446080 /nfs/dbraw/zinc/44/60/80/720446080.db2.gz GMOWQSVTWGGLIX-SFHVURJKSA-N 1 2 441.963 3.074 20 0 IGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc3cccc(Cl)c31)C2 ZINC001164824724 720454523 /nfs/dbraw/zinc/45/45/23/720454523.db2.gz PSXHOYSTORTOBZ-GOSISDBHSA-N 1 2 441.963 3.074 20 0 IGADLO O=C1C[C@H]2[C@@H](CCN2c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)N1c1ccsc1 ZINC001164884161 721354163 /nfs/dbraw/zinc/35/41/63/721354163.db2.gz UEVMFRGNTGCFRL-YADHBBJMSA-N 1 2 431.565 3.481 20 0 IGADLO O=C1C[C@H]2[C@@H](CCN2c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)N1c1ccsc1 ZINC001164884161 721354172 /nfs/dbraw/zinc/35/41/72/721354172.db2.gz UEVMFRGNTGCFRL-YADHBBJMSA-N 1 2 431.565 3.481 20 0 IGADLO O=C1C[C@@H]2[C@H](CCN2c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)N1c1ccsc1 ZINC001164884158 721354412 /nfs/dbraw/zinc/35/44/12/721354412.db2.gz UEVMFRGNTGCFRL-FCHUYYIVSA-N 1 2 431.565 3.481 20 0 IGADLO O=C1C[C@@H]2[C@H](CCN2c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)N1c1ccsc1 ZINC001164884158 721354419 /nfs/dbraw/zinc/35/44/19/721354419.db2.gz UEVMFRGNTGCFRL-FCHUYYIVSA-N 1 2 431.565 3.481 20 0 IGADLO Cc1c(Cl)nc(C2CCC2)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915762 721800614 /nfs/dbraw/zinc/80/06/14/721800614.db2.gz ZMIHLJWIXZYAFX-HSZRJFAPSA-N 1 2 443.979 3.209 20 0 IGADLO Cc1c(Cl)nc(C2CCC2)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915762 721800615 /nfs/dbraw/zinc/80/06/15/721800615.db2.gz ZMIHLJWIXZYAFX-HSZRJFAPSA-N 1 2 443.979 3.209 20 0 IGADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CC[C@@]5(C[C@H](Oc6cccnc6)CO5)C4)c3C2)cc1 ZINC001164916159 721804980 /nfs/dbraw/zinc/80/49/80/721804980.db2.gz OGWXFCOKMYGBAV-BKMJKUGQSA-N 1 2 443.551 3.247 20 0 IGADLO c1ccc(C[N@H+]2CCc3ncnc(N4CC[C@@]5(C[C@H](Oc6cccnc6)CO5)C4)c3C2)cc1 ZINC001164916159 721804981 /nfs/dbraw/zinc/80/49/81/721804981.db2.gz OGWXFCOKMYGBAV-BKMJKUGQSA-N 1 2 443.551 3.247 20 0 IGADLO CCOC(=O)c1sc2ncnc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)c2c1C ZINC001164915904 721812106 /nfs/dbraw/zinc/81/21/06/721812106.db2.gz DJGCZTULCYYDOG-UHFFFAOYSA-N 1 2 440.573 3.122 20 0 IGADLO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164917866 721815837 /nfs/dbraw/zinc/81/58/37/721815837.db2.gz PMHDXQJRMZGDEB-UHFFFAOYSA-N 1 2 440.935 3.016 20 0 IGADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2nc(-c3ccc(Cl)nc3)no2)CC1 ZINC001164919802 721820816 /nfs/dbraw/zinc/82/08/16/721820816.db2.gz WMUKLEOKHKCTOA-UHFFFAOYSA-N 1 2 449.893 3.276 20 0 IGADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2nc(-c3ccc(Cl)nc3)no2)CC1 ZINC001164919802 721820818 /nfs/dbraw/zinc/82/08/18/721820818.db2.gz WMUKLEOKHKCTOA-UHFFFAOYSA-N 1 2 449.893 3.276 20 0 IGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3c1CCCCC3)CC2 ZINC001164946887 721973300 /nfs/dbraw/zinc/97/33/00/721973300.db2.gz YMVDFVGVRKUVEV-UHFFFAOYSA-N 1 2 439.991 3.370 20 0 IGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3c1CCCCC3)CC2 ZINC001164946887 721973301 /nfs/dbraw/zinc/97/33/01/721973301.db2.gz YMVDFVGVRKUVEV-UHFFFAOYSA-N 1 2 439.991 3.370 20 0 IGADLO CCc1c(Cl)nnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1CC ZINC001164945751 721974584 /nfs/dbraw/zinc/97/45/84/721974584.db2.gz FPPOSGSZQXYLGF-UHFFFAOYSA-N 1 2 427.980 3.226 20 0 IGADLO CCc1c(Cl)nnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1CC ZINC001164945751 721974586 /nfs/dbraw/zinc/97/45/86/721974586.db2.gz FPPOSGSZQXYLGF-UHFFFAOYSA-N 1 2 427.980 3.226 20 0 IGADLO COC(=O)/C=C\c1cc(C)c[nH+]c1N1CC[C@@H]2OCCN(Cc3csc(C)n3)[C@H]2CC1 ZINC001164993787 722184432 /nfs/dbraw/zinc/18/44/32/722184432.db2.gz WZBKSDQVKRFVGG-OPFHAPIQSA-N 1 2 442.585 3.211 20 0 IGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c1ncn3C)CC2 ZINC001164664546 719346925 /nfs/dbraw/zinc/34/69/25/719346925.db2.gz XVDPHEFVDUXJMG-UHFFFAOYSA-N 1 2 428.544 3.058 20 0 IGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c1ncn3C)CC2 ZINC001164664546 719346929 /nfs/dbraw/zinc/34/69/29/719346929.db2.gz XVDPHEFVDUXJMG-UHFFFAOYSA-N 1 2 428.544 3.058 20 0 IGADLO COc1ccc(C(F)(F)N2CCc3c([nH+]cn3C(C)C)[C@@H]2CNC(C)=O)nc1Cl ZINC001164724590 720315271 /nfs/dbraw/zinc/31/52/71/720315271.db2.gz RRMFDNTXSJYWFP-AWEZNQCLSA-N 1 2 427.883 3.306 20 0 IGADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1c2c(nnc1Cl)CCC2 ZINC001164725020 720315912 /nfs/dbraw/zinc/31/59/12/720315912.db2.gz UWRXECKXRQZBHQ-INIZCTEOSA-N 1 2 438.910 3.181 20 0 IGADLO FC(F)(c1nc2ccccc2nc1Cl)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164828668 720397694 /nfs/dbraw/zinc/39/76/94/720397694.db2.gz KFAIKSBAGUQIQW-UHFFFAOYSA-N 1 2 430.850 3.075 20 0 IGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)nc3sccc31)C2 ZINC001164827020 720444440 /nfs/dbraw/zinc/44/44/40/720444440.db2.gz YMJRPCHDRUVEKA-HNNXBMFYSA-N 1 2 447.992 3.136 20 0 IGADLO COC[C@]12CCC[C@@H]1CN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001164847373 720788519 /nfs/dbraw/zinc/78/85/19/720788519.db2.gz MTGYAFPVGAEOIU-ATIYNZHBSA-N 1 2 434.584 3.293 20 0 IGADLO O=C1C[C@@H]2[C@@H](CCN2c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)N1c1ccsc1 ZINC001164884159 721354131 /nfs/dbraw/zinc/35/41/31/721354131.db2.gz UEVMFRGNTGCFRL-FGZHOGPDSA-N 1 2 431.565 3.481 20 0 IGADLO O=C1C[C@@H]2[C@@H](CCN2c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)N1c1ccsc1 ZINC001164884159 721354144 /nfs/dbraw/zinc/35/41/44/721354144.db2.gz UEVMFRGNTGCFRL-FGZHOGPDSA-N 1 2 431.565 3.481 20 0 IGADLO Cc1cc(C(F)(F)N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cc(Cl)n1 ZINC001164912869 721770061 /nfs/dbraw/zinc/77/00/61/721770061.db2.gz RCVZAVSGZRMGDK-HXUWFJFHSA-N 1 2 438.906 3.091 20 0 IGADLO Cc1cc(C(F)(F)N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cc(Cl)n1 ZINC001164912869 721770063 /nfs/dbraw/zinc/77/00/63/721770063.db2.gz RCVZAVSGZRMGDK-HXUWFJFHSA-N 1 2 438.906 3.091 20 0 IGADLO Cc1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(-c2ccsc2)n1 ZINC001164915620 721797038 /nfs/dbraw/zinc/79/70/38/721797038.db2.gz WZTIBWXWHBUQTR-QHCPKHFHSA-N 1 2 437.569 3.016 20 0 IGADLO Cc1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(-c2ccsc2)n1 ZINC001164915620 721797040 /nfs/dbraw/zinc/79/70/40/721797040.db2.gz WZTIBWXWHBUQTR-QHCPKHFHSA-N 1 2 437.569 3.016 20 0 IGADLO CSc1nc(Cl)cc(C(F)(F)N2CCC3(CC2)c2ncc(C)n2CC[N@H+]3C)n1 ZINC001164918604 721813048 /nfs/dbraw/zinc/81/30/48/721813048.db2.gz RUXKNDPIEXUQQJ-UHFFFAOYSA-N 1 2 428.940 3.343 20 0 IGADLO CSc1nc(Cl)cc(C(F)(F)N2CCC3(CC2)c2ncc(C)n2CC[N@@H+]3C)n1 ZINC001164918604 721813049 /nfs/dbraw/zinc/81/30/49/721813049.db2.gz RUXKNDPIEXUQQJ-UHFFFAOYSA-N 1 2 428.940 3.343 20 0 IGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(-c3ccc4c(c3)OCCCO4)nn2)CC1 ZINC001164918685 721820181 /nfs/dbraw/zinc/82/01/81/721820181.db2.gz GSKLQYNIIUDUNW-UHFFFAOYSA-N 1 2 446.555 3.251 20 0 IGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nccc(Oc3cccc(F)c3)n1)CC2 ZINC001164947041 721976692 /nfs/dbraw/zinc/97/66/92/721976692.db2.gz NHRDJTWTVDOGGC-UHFFFAOYSA-N 1 2 447.514 3.379 20 0 IGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nccc(Oc3cccc(F)c3)n1)CC2 ZINC001164947041 721976694 /nfs/dbraw/zinc/97/66/94/721976694.db2.gz NHRDJTWTVDOGGC-UHFFFAOYSA-N 1 2 447.514 3.379 20 0 IGADLO COc1cccc(-c2ccc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nn2)c1 ZINC001164948247 721979051 /nfs/dbraw/zinc/97/90/51/721979051.db2.gz VXDMYFMZSLMFRN-UHFFFAOYSA-N 1 2 443.551 3.123 20 0 IGADLO COc1cccc(-c2ccc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nn2)c1 ZINC001164948247 721979056 /nfs/dbraw/zinc/97/90/56/721979056.db2.gz VXDMYFMZSLMFRN-UHFFFAOYSA-N 1 2 443.551 3.123 20 0 IGADLO CCc1nc(Cl)nc(Cl)c1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164948324 721981534 /nfs/dbraw/zinc/98/15/34/721981534.db2.gz KWQWAAWMMGUDRV-UHFFFAOYSA-N 1 2 434.371 3.317 20 0 IGADLO CCc1nc(Cl)nc(Cl)c1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164948324 721981538 /nfs/dbraw/zinc/98/15/38/721981538.db2.gz KWQWAAWMMGUDRV-UHFFFAOYSA-N 1 2 434.371 3.317 20 0 IGADLO Cc1nc(CN2CCO[C@H]3CCN(c4nc(N5CCCC5)c(C)c[nH+]4)CC[C@@H]32)cs1 ZINC001164991535 722173788 /nfs/dbraw/zinc/17/37/88/722173788.db2.gz XQJREUICEUHKDO-PMACEKPBSA-N 1 2 428.606 3.020 20 0 IGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(OC)nc(OC)n1)CC2 ZINC001164664530 719347491 /nfs/dbraw/zinc/34/74/91/719347491.db2.gz XAZMPVHLIRNGAS-UHFFFAOYSA-N 1 2 434.544 3.189 20 0 IGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(OC)nc(OC)n1)CC2 ZINC001164664530 719347492 /nfs/dbraw/zinc/34/74/92/719347492.db2.gz XAZMPVHLIRNGAS-UHFFFAOYSA-N 1 2 434.544 3.189 20 0 IGADLO CCOC(=O)c1nccc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)n1 ZINC001164658029 719354852 /nfs/dbraw/zinc/35/48/52/719354852.db2.gz BIPGQWYCTUWOCB-UHFFFAOYSA-N 1 2 446.555 3.348 20 0 IGADLO CCOC(=O)c1nccc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)n1 ZINC001164658029 719354854 /nfs/dbraw/zinc/35/48/54/719354854.db2.gz BIPGQWYCTUWOCB-UHFFFAOYSA-N 1 2 446.555 3.348 20 0 IGADLO CCOC(=O)c1ccc(C(F)(F)N2CCc3onc(Cn4cc[nH+]c4)c3C2)c(Cl)n1 ZINC001164677662 719566449 /nfs/dbraw/zinc/56/64/49/719566449.db2.gz QRPMHLFREKMZBA-UHFFFAOYSA-N 1 2 437.834 3.252 20 0 IGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cncc(Sc2cccc(C)c2)n1 ZINC001164699271 719863881 /nfs/dbraw/zinc/86/38/81/719863881.db2.gz BLIZUZOQSSRAND-FDDCHVKYSA-N 1 2 442.585 3.169 20 0 IGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(Cl)nc(-c2ccc(F)cc2)n1 ZINC001164699251 719871736 /nfs/dbraw/zinc/87/17/36/719871736.db2.gz BHYUGSIYKOTBRJ-HTAPYJJXSA-N 1 2 448.926 3.169 20 0 IGADLO Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)O2)n1 ZINC001164832129 720401987 /nfs/dbraw/zinc/40/19/87/720401987.db2.gz ZSFFADHXRRXDHM-FSSWDIPSSA-N 1 2 432.528 3.225 20 0 IGADLO Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)O2)n1 ZINC001164832129 720401999 /nfs/dbraw/zinc/40/19/99/720401999.db2.gz ZSFFADHXRRXDHM-FSSWDIPSSA-N 1 2 432.528 3.225 20 0 IGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc3cc(Cl)ccc31)C2 ZINC001164824114 720443751 /nfs/dbraw/zinc/44/37/51/720443751.db2.gz MHISZDHUTUPGOE-GOSISDBHSA-N 1 2 441.963 3.074 20 0 IGADLO COC(=O)c1ccc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)c(Cl)n1 ZINC001164757742 720976116 /nfs/dbraw/zinc/97/61/16/720976116.db2.gz QCZUMGZRDZYTLJ-CQSZACIVSA-N 1 2 440.878 3.326 20 0 IGADLO FC(F)(c1cnc2c(Cl)ncnc2c1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164757564 720978741 /nfs/dbraw/zinc/97/87/41/720978741.db2.gz OZVDWWUWXWXBMR-CQSZACIVSA-N 1 2 434.878 3.483 20 0 IGADLO FC(F)(c1c2c(nnc1Cl)CCC2)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164767088 721275455 /nfs/dbraw/zinc/27/54/55/721275455.db2.gz FTRLWJVERANVDK-CQSZACIVSA-N 1 2 446.889 3.471 20 0 IGADLO FC(F)(c1cc(Cl)nc(=S)[nH]1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164771068 721275847 /nfs/dbraw/zinc/27/58/47/721275847.db2.gz ZDTMSJMUZOXVAN-GFCCVEGCSA-N 1 2 438.891 3.271 20 0 IGADLO COC(=O)c1ccc(C(F)(F)N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)nc1Cl ZINC001164782819 721399993 /nfs/dbraw/zinc/39/99/93/721399993.db2.gz FVHYTDLHLAAZSM-TXEJJXNPSA-N 1 2 428.892 3.091 20 0 IGADLO COC(=O)c1ccc(C(F)(F)N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)nc1Cl ZINC001164782819 721399997 /nfs/dbraw/zinc/39/99/97/721399997.db2.gz FVHYTDLHLAAZSM-TXEJJXNPSA-N 1 2 428.892 3.091 20 0 IGADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CC[C@]5(C[C@H](Oc6cccnc6)CO5)C4)c3C2)cc1 ZINC001164916162 721805028 /nfs/dbraw/zinc/80/50/28/721805028.db2.gz OGWXFCOKMYGBAV-NVQXNPDNSA-N 1 2 443.551 3.247 20 0 IGADLO c1ccc(C[N@H+]2CCc3ncnc(N4CC[C@]5(C[C@H](Oc6cccnc6)CO5)C4)c3C2)cc1 ZINC001164916162 721805029 /nfs/dbraw/zinc/80/50/29/721805029.db2.gz OGWXFCOKMYGBAV-NVQXNPDNSA-N 1 2 443.551 3.247 20 0 IGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc(C(=O)NC(C)(C)C)cc(Cl)n2)CC1 ZINC001164918284 721816733 /nfs/dbraw/zinc/81/67/33/721816733.db2.gz LTNHZCXGSGYTPH-UHFFFAOYSA-N 1 2 430.984 3.209 20 0 IGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(Cl)nc(Oc3ccc(F)cc3)n2)CC1 ZINC001164918910 721817245 /nfs/dbraw/zinc/81/72/45/721817245.db2.gz XDWABXHLZGQLPD-UHFFFAOYSA-N 1 2 443.914 3.402 20 0 IGADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cnc3c(Cl)ncnc3c2)CC1 ZINC001164918343 721818108 /nfs/dbraw/zinc/81/81/08/721818108.db2.gz OWOWFWBMPGTVLQ-UHFFFAOYSA-N 1 2 433.894 3.169 20 0 IGADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cnc3c(Cl)ncnc3c2)CC1 ZINC001164918343 721818111 /nfs/dbraw/zinc/81/81/11/721818111.db2.gz OWOWFWBMPGTVLQ-UHFFFAOYSA-N 1 2 433.894 3.169 20 0 IGADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncc(C(=O)NC3CCCC3)cc2Cl)CC1 ZINC001164918754 721819290 /nfs/dbraw/zinc/81/92/90/721819290.db2.gz UBAHHHFVUCPOGZ-UHFFFAOYSA-N 1 2 442.995 3.353 20 0 IGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc3nc(Cl)cnc3cc1F)CC2 ZINC001164948296 721979645 /nfs/dbraw/zinc/97/96/45/721979645.db2.gz KSSLDEMPDJWBCG-UHFFFAOYSA-N 1 2 439.922 3.393 20 0 IGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc3nc(Cl)cnc3cc1F)CC2 ZINC001164948296 721979647 /nfs/dbraw/zinc/97/96/47/721979647.db2.gz KSSLDEMPDJWBCG-UHFFFAOYSA-N 1 2 439.922 3.393 20 0 IGADLO Cc1nc(C2CC2)nc(Cl)c1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164949400 721979773 /nfs/dbraw/zinc/97/97/73/721979773.db2.gz PIAULRXGRFVJIN-UHFFFAOYSA-N 1 2 425.964 3.287 20 0 IGADLO Cc1nc(C2CC2)nc(Cl)c1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164949400 721979775 /nfs/dbraw/zinc/97/97/75/721979775.db2.gz PIAULRXGRFVJIN-UHFFFAOYSA-N 1 2 425.964 3.287 20 0 IGADLO Cc1nc(CN2CCO[C@H]3CCN(c4nc(N5CCCC5)c(C)c[nH+]4)CC[C@H]32)cs1 ZINC001164991536 722173746 /nfs/dbraw/zinc/17/37/46/722173746.db2.gz XQJREUICEUHKDO-UXHICEINSA-N 1 2 428.606 3.020 20 0 IGADLO Cc1nc(CN2CCO[C@@H]3CCN(c4nc(N5CCCC5)c(C)c[nH+]4)CC[C@@H]32)cs1 ZINC001164991538 722173796 /nfs/dbraw/zinc/17/37/96/722173796.db2.gz XQJREUICEUHKDO-VQTJNVASSA-N 1 2 428.606 3.020 20 0 IGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C(C)(C)C)nc(C(C)(C)C)n1 ZINC001164700602 719866862 /nfs/dbraw/zinc/86/68/62/719866862.db2.gz DZQUGTZVYDGTOJ-XDHUDOTRSA-N 1 2 432.609 3.304 20 0 IGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(SCc2ccccc2)ncn1 ZINC001164704959 719874060 /nfs/dbraw/zinc/87/40/60/719874060.db2.gz MKTQVNKNOAMAKX-XXBNENTESA-N 1 2 442.585 3.002 20 0 IGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2c(Cl)cccc2nc1Cl ZINC001164707798 719876868 /nfs/dbraw/zinc/87/68/68/719876868.db2.gz VMVRXZBGPYPFEW-ZUOKHONESA-N 1 2 439.343 3.169 20 0 IGADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)nc1Cl ZINC001164723351 720311278 /nfs/dbraw/zinc/31/12/78/720311278.db2.gz NUALMMDLHYLQDE-ZDUSSCGKSA-N 1 2 433.290 3.346 20 0 IGADLO COc1cc(C(F)(F)N2CCc3c([nH+]cn3C(C)C)[C@@H]2CNC(C)=O)cc(Cl)n1 ZINC001164721408 720312697 /nfs/dbraw/zinc/31/26/97/720312697.db2.gz GXOIWNFOEOBPGQ-HNNXBMFYSA-N 1 2 427.883 3.306 20 0 IGADLO FC(F)(c1cccc2c(Cl)ncnc21)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164831090 720398706 /nfs/dbraw/zinc/39/87/06/720398706.db2.gz UZPYEPKSSXUCBJ-UHFFFAOYSA-N 1 2 430.850 3.075 20 0 IGADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1ccc(Cl)nc1Cl)C2 ZINC001164858596 720895481 /nfs/dbraw/zinc/89/54/81/720895481.db2.gz LXINGCUTJAFIEC-UHFFFAOYSA-N 1 2 441.269 3.145 20 0 IGADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cc(Cl)nc(Cl)c1)C2 ZINC001164859389 720895486 /nfs/dbraw/zinc/89/54/86/720895486.db2.gz PJNQHNDENRCUBZ-UHFFFAOYSA-N 1 2 441.269 3.145 20 0 IGADLO COC(=O)c1ccc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)nc1Cl ZINC001164755806 720973929 /nfs/dbraw/zinc/97/39/29/720973929.db2.gz BXVXEYIFQMUILE-CQSZACIVSA-N 1 2 440.878 3.326 20 0 IGADLO FC(F)[C@](F)(COc1cncc(Cl)n1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164758963 720980050 /nfs/dbraw/zinc/98/00/50/720980050.db2.gz XRWGFMVSRHUINA-KUHUBIRLSA-N 1 2 445.873 3.195 20 0 IGADLO CCS(=O)(=O)c1ccnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164909882 721738313 /nfs/dbraw/zinc/73/83/13/721738313.db2.gz FJHRPXKBTWRQEY-HXUWFJFHSA-N 1 2 436.528 3.008 20 0 IGADLO CCS(=O)(=O)c1ccnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164909882 721738318 /nfs/dbraw/zinc/73/83/18/721738318.db2.gz FJHRPXKBTWRQEY-HXUWFJFHSA-N 1 2 436.528 3.008 20 0 IGADLO Cc1ccc(Cl)nc1C(F)(F)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916762 721788033 /nfs/dbraw/zinc/78/80/33/721788033.db2.gz TWFYSBLPXLWOCF-HXUWFJFHSA-N 1 2 438.906 3.091 20 0 IGADLO Cc1ccc(Cl)nc1C(F)(F)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916762 721788034 /nfs/dbraw/zinc/78/80/34/721788034.db2.gz TWFYSBLPXLWOCF-HXUWFJFHSA-N 1 2 438.906 3.091 20 0 IGADLO Cc1nc2c3ccccc3oc2c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164917670 721788654 /nfs/dbraw/zinc/78/86/54/721788654.db2.gz YTWYNQVIIZOTRU-VWLOTQADSA-N 1 2 445.523 3.187 20 0 IGADLO Cc1nc2c3ccccc3oc2c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164917670 721788658 /nfs/dbraw/zinc/78/86/58/721788658.db2.gz YTWYNQVIIZOTRU-VWLOTQADSA-N 1 2 445.523 3.187 20 0 IGADLO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)c1ncc(C)n1CC[N@H+]2C ZINC001164918404 721814734 /nfs/dbraw/zinc/81/47/34/721814734.db2.gz WLSICQYHDDDFNS-UHFFFAOYSA-N 1 2 439.894 3.013 20 0 IGADLO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)c1ncc(C)n1CC[N@@H+]2C ZINC001164918404 721814735 /nfs/dbraw/zinc/81/47/35/721814735.db2.gz WLSICQYHDDDFNS-UHFFFAOYSA-N 1 2 439.894 3.013 20 0 IGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)cc(-c3ccncc3)n1)CC2 ZINC001164951165 721981265 /nfs/dbraw/zinc/98/12/65/721981265.db2.gz YHAVLUWVYIEFLP-UHFFFAOYSA-N 1 2 448.958 3.163 20 0 IGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)cc(-c3ccncc3)n1)CC2 ZINC001164951165 721981266 /nfs/dbraw/zinc/98/12/66/721981266.db2.gz YHAVLUWVYIEFLP-UHFFFAOYSA-N 1 2 448.958 3.163 20 0 IGADLO CC(C)OC(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nn1 ZINC001164674402 719498504 /nfs/dbraw/zinc/49/85/04/719498504.db2.gz WCXSWTWFAUHWDK-UHFFFAOYSA-N 1 2 428.508 3.052 20 0 IGADLO CC(C)OC(=O)c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nn1 ZINC001164674402 719498508 /nfs/dbraw/zinc/49/85/08/719498508.db2.gz WCXSWTWFAUHWDK-UHFFFAOYSA-N 1 2 428.508 3.052 20 0 IGADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc[nH]c4nc(=S)sc2-4)CC3)cc1 ZINC001164671741 719518616 /nfs/dbraw/zinc/51/86/16/719518616.db2.gz JEIGISOHHJALAK-UHFFFAOYSA-N 1 2 431.562 3.386 20 0 IGADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc[nH]c4nc(=S)sc2-4)CC3)cc1 ZINC001164671741 719518624 /nfs/dbraw/zinc/51/86/24/719518624.db2.gz JEIGISOHHJALAK-UHFFFAOYSA-N 1 2 431.562 3.386 20 0 IGADLO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164676630 719562955 /nfs/dbraw/zinc/56/29/55/719562955.db2.gz DHMUWZKNALQWAI-UHFFFAOYSA-N 1 2 435.866 3.071 20 0 IGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1c(C)nc(-c2ccccc2)nc1Cl ZINC001164706630 719870864 /nfs/dbraw/zinc/87/08/64/719870864.db2.gz QFNDFMIMPPUFIH-MBSDFSHPSA-N 1 2 444.963 3.338 20 0 IGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(Cl)nc(-c2ccc(F)cc2)n1 ZINC001164699252 719871618 /nfs/dbraw/zinc/87/16/18/719871618.db2.gz BHYUGSIYKOTBRJ-JTSKRJEESA-N 1 2 448.926 3.169 20 0 IGADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1nc(C)c(C)c(Cl)n1 ZINC001164726246 720314612 /nfs/dbraw/zinc/31/46/12/720314612.db2.gz YTNYVFWDUOWAIB-HNNXBMFYSA-N 1 2 426.899 3.309 20 0 IGADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc2c(Cl)ncnc2c1 ZINC001164725518 720315167 /nfs/dbraw/zinc/31/51/67/720315167.db2.gz WOCLEOIPTFIORH-INIZCTEOSA-N 1 2 449.893 3.240 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)ccc4Cl)CC3)C2=O)cs1 ZINC001164823200 720365966 /nfs/dbraw/zinc/36/59/66/720365966.db2.gz BWDNLGIHLNEKAC-UHFFFAOYSA-N 1 2 440.400 3.467 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)ccc4Cl)CC3)C2=O)cs1 ZINC001164823200 720365975 /nfs/dbraw/zinc/36/59/75/720365975.db2.gz BWDNLGIHLNEKAC-UHFFFAOYSA-N 1 2 440.400 3.467 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc5ccsc5cn4)CC3)C2=O)cs1 ZINC001164820725 720374687 /nfs/dbraw/zinc/37/46/87/720374687.db2.gz RISNFACSRHMMHL-UHFFFAOYSA-N 1 2 427.599 3.374 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc5ccsc5cn4)CC3)C2=O)cs1 ZINC001164820725 720374697 /nfs/dbraw/zinc/37/46/97/720374697.db2.gz RISNFACSRHMMHL-UHFFFAOYSA-N 1 2 427.599 3.374 20 0 IGADLO FC(F)(Oc1ccc(Cl)nc1Cl)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164828238 720399439 /nfs/dbraw/zinc/39/94/39/720399439.db2.gz JDBXPMNBVVIGSC-UHFFFAOYSA-N 1 2 430.246 3.060 20 0 IGADLO COC(=O)c1ccc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)c(Cl)n1 ZINC001164757741 720975771 /nfs/dbraw/zinc/97/57/71/720975771.db2.gz QCZUMGZRDZYTLJ-AWEZNQCLSA-N 1 2 440.878 3.326 20 0 IGADLO c1nc(COCC2CC2)c2n1CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164804913 721599582 /nfs/dbraw/zinc/59/95/82/721599582.db2.gz YQNUGPLMRYJFAK-UHFFFAOYSA-N 1 2 430.556 3.178 20 0 IGADLO c1nc(COCC2CC2)c2n1CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164804913 721599586 /nfs/dbraw/zinc/59/95/86/721599586.db2.gz YQNUGPLMRYJFAK-UHFFFAOYSA-N 1 2 430.556 3.178 20 0 IGADLO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915661 721799669 /nfs/dbraw/zinc/79/96/69/721799669.db2.gz XHHBULBUYVFXMF-HXOBKFHXSA-N 1 2 445.995 3.455 20 0 IGADLO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915661 721799672 /nfs/dbraw/zinc/79/96/72/721799672.db2.gz XHHBULBUYVFXMF-HXOBKFHXSA-N 1 2 445.995 3.455 20 0 IGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nccc(Oc3ccccc3)n1)CC2 ZINC001164945008 721971135 /nfs/dbraw/zinc/97/11/35/721971135.db2.gz MSLXDWAMSRTKOF-UHFFFAOYSA-N 1 2 429.524 3.240 20 0 IGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nccc(Oc3ccccc3)n1)CC2 ZINC001164945008 721971139 /nfs/dbraw/zinc/97/11/39/721971139.db2.gz MSLXDWAMSRTKOF-UHFFFAOYSA-N 1 2 429.524 3.240 20 0 IGADLO COC(=O)/C=C/c1cc(C)c[nH+]c1N1CC[C@@H]2[C@H](CC1)OCCN2Cc1csc(C)n1 ZINC001164993780 722184455 /nfs/dbraw/zinc/18/44/55/722184455.db2.gz WZBKSDQVKRFVGG-KWFAIERBSA-N 1 2 442.585 3.211 20 0 IGADLO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccco2)CC1 ZINC000023750996 557375702 /nfs/dbraw/zinc/37/57/02/557375702.db2.gz RBRRCGUGYCWMQZ-NRFANRHFSA-N 1 2 439.512 3.241 20 0 IGADLO CCOC(=O)c1ccc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)nn1 ZINC001164664113 719346713 /nfs/dbraw/zinc/34/67/13/719346713.db2.gz RLSYCGBXCAECET-UHFFFAOYSA-N 1 2 446.555 3.348 20 0 IGADLO CCOC(=O)c1ccc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)nn1 ZINC001164664113 719346714 /nfs/dbraw/zinc/34/67/14/719346714.db2.gz RLSYCGBXCAECET-UHFFFAOYSA-N 1 2 446.555 3.348 20 0 IGADLO CCOC(=O)c1nnc(Cl)cc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164673749 719503532 /nfs/dbraw/zinc/50/35/32/719503532.db2.gz RAWVIYFEFAFWTF-UHFFFAOYSA-N 1 2 448.926 3.317 20 0 IGADLO CCOC(=O)c1nnc(Cl)cc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164673749 719503545 /nfs/dbraw/zinc/50/35/45/719503545.db2.gz RAWVIYFEFAFWTF-UHFFFAOYSA-N 1 2 448.926 3.317 20 0 IGADLO CCCCOc1cnc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c(Cl)c1 ZINC001164703810 719864937 /nfs/dbraw/zinc/86/49/37/719864937.db2.gz KRHMBBZYWRTLIU-IERDGZPVSA-N 1 2 425.957 3.147 20 0 IGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2cccc(Cl)c2)ncn1 ZINC001164706536 719870749 /nfs/dbraw/zinc/87/07/49/719870749.db2.gz PTNYJVBIRVFGIC-AVRDEDQJSA-N 1 2 430.936 3.030 20 0 IGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncccc1OCc1ccc(F)cc1 ZINC001164701810 719871876 /nfs/dbraw/zinc/87/18/76/719871876.db2.gz HSSSPDKCXKETJZ-RDPSFJRHSA-N 1 2 443.519 3.032 20 0 IGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(SCc2ccccc2)n1 ZINC001164706587 719875515 /nfs/dbraw/zinc/87/55/15/719875515.db2.gz QENCFJBZABVWCT-AUSIDOKSSA-N 1 2 442.585 3.002 20 0 IGADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc2ncnc(Cl)c2n1 ZINC001164726199 720314645 /nfs/dbraw/zinc/31/46/45/720314645.db2.gz YJRHTJPKXLSNTO-HNNXBMFYSA-N 1 2 449.893 3.240 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C)nc5sccc54)CC3)C2=O)cs1 ZINC001164829670 720356606 /nfs/dbraw/zinc/35/66/06/720356606.db2.gz UAXDDJVGENNFLM-UHFFFAOYSA-N 1 2 442.614 3.078 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C)nc5sccc54)CC3)C2=O)cs1 ZINC001164829670 720356613 /nfs/dbraw/zinc/35/66/13/720356613.db2.gz UAXDDJVGENNFLM-UHFFFAOYSA-N 1 2 442.614 3.078 20 0 IGADLO COC(=O)c1ccc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)nc1Cl ZINC001164755804 720975121 /nfs/dbraw/zinc/97/51/21/720975121.db2.gz BXVXEYIFQMUILE-AWEZNQCLSA-N 1 2 440.878 3.326 20 0 IGADLO COC(=O)c1cnc(Cl)c(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)c1 ZINC001164755652 720980164 /nfs/dbraw/zinc/98/01/64/720980164.db2.gz BNMXFOBCKYOSCD-CQSZACIVSA-N 1 2 440.878 3.326 20 0 IGADLO Cc1nc(C2CCCCC2)cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914871 721792312 /nfs/dbraw/zinc/79/23/12/721792312.db2.gz GSANUUJHHOSFTQ-VWLOTQADSA-N 1 2 437.588 3.336 20 0 IGADLO Cc1nc(C2CCCCC2)cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914871 721792313 /nfs/dbraw/zinc/79/23/13/721792313.db2.gz GSANUUJHHOSFTQ-VWLOTQADSA-N 1 2 437.588 3.336 20 0 IGADLO CCc1ccc(-c2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)cc1 ZINC001164915311 721796709 /nfs/dbraw/zinc/79/67/09/721796709.db2.gz WBRQJHAESAASQT-AREMUKBSSA-N 1 2 445.567 3.209 20 0 IGADLO CCc1ccc(-c2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)cc1 ZINC001164915311 721796710 /nfs/dbraw/zinc/79/67/10/721796710.db2.gz WBRQJHAESAASQT-AREMUKBSSA-N 1 2 445.567 3.209 20 0 IGADLO COC(=O)c1ccc(C(F)(F)N2CCC3(CC2)c2ncc(C)n2CC[N@H+]3C)nc1Cl ZINC001164918362 721813641 /nfs/dbraw/zinc/81/36/41/721813641.db2.gz UMNIYZGCNCFAIG-UHFFFAOYSA-N 1 2 439.894 3.013 20 0 IGADLO COC(=O)c1ccc(C(F)(F)N2CCC3(CC2)c2ncc(C)n2CC[N@@H+]3C)nc1Cl ZINC001164918362 721813644 /nfs/dbraw/zinc/81/36/44/721813644.db2.gz UMNIYZGCNCFAIG-UHFFFAOYSA-N 1 2 439.894 3.013 20 0 IGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cccc(CC(=O)OC)n1)CC2 ZINC001164663540 719349616 /nfs/dbraw/zinc/34/96/16/719349616.db2.gz KDTNFRWYFZUKPC-UHFFFAOYSA-N 1 2 445.567 3.492 20 0 IGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cccc(CC(=O)OC)n1)CC2 ZINC001164663540 719349619 /nfs/dbraw/zinc/34/96/19/719349619.db2.gz KDTNFRWYFZUKPC-UHFFFAOYSA-N 1 2 445.567 3.492 20 0 IGADLO CCOC(=O)c1nccnc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164663512 719349685 /nfs/dbraw/zinc/34/96/85/719349685.db2.gz JDSZCBAHSDWICD-UHFFFAOYSA-N 1 2 446.555 3.348 20 0 IGADLO CCOC(=O)c1nccnc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164663512 719349690 /nfs/dbraw/zinc/34/96/90/719349690.db2.gz JDSZCBAHSDWICD-UHFFFAOYSA-N 1 2 446.555 3.348 20 0 IGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-n3ccnc3)nn1)CC2 ZINC001164660670 719351755 /nfs/dbraw/zinc/35/17/55/719351755.db2.gz WUPLRKAUWYQDDL-UHFFFAOYSA-N 1 2 440.555 3.357 20 0 IGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-n3ccnc3)nn1)CC2 ZINC001164660670 719351758 /nfs/dbraw/zinc/35/17/58/719351758.db2.gz WUPLRKAUWYQDDL-UHFFFAOYSA-N 1 2 440.555 3.357 20 0 IGADLO CCCNC(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001164673965 719523797 /nfs/dbraw/zinc/52/37/97/719523797.db2.gz VZIHFRIYSYGSKN-UHFFFAOYSA-N 1 2 426.536 3.232 20 0 IGADLO CCCNC(=O)c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001164673965 719523804 /nfs/dbraw/zinc/52/38/04/719523804.db2.gz VZIHFRIYSYGSKN-UHFFFAOYSA-N 1 2 426.536 3.232 20 0 IGADLO CCOC(=O)c1cnc(CC)nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164678970 719528197 /nfs/dbraw/zinc/52/81/97/719528197.db2.gz PTSIVXPOHRDNED-UHFFFAOYSA-N 1 2 442.535 3.226 20 0 IGADLO CCOC(=O)c1cnc(CC)nc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164678970 719528206 /nfs/dbraw/zinc/52/82/06/719528206.db2.gz PTSIVXPOHRDNED-UHFFFAOYSA-N 1 2 442.535 3.226 20 0 IGADLO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164676769 719565657 /nfs/dbraw/zinc/56/56/57/719565657.db2.gz NJTBUPNNAITQLR-UHFFFAOYSA-N 1 2 438.822 3.167 20 0 IGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2cc(C)c(C)cc2nc1Cl ZINC001164700114 719860478 /nfs/dbraw/zinc/86/04/78/719860478.db2.gz GLRMIFDWLGPFHJ-ZHRRBRCNSA-N 1 2 432.952 3.133 20 0 IGADLO CCCCOc1cnc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c(Cl)c1 ZINC001164703809 719864953 /nfs/dbraw/zinc/86/49/53/719864953.db2.gz KRHMBBZYWRTLIU-HRAATJIYSA-N 1 2 425.957 3.147 20 0 IGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2cccc(Cl)c2)nn1 ZINC001164706474 719868861 /nfs/dbraw/zinc/86/88/61/719868861.db2.gz PMVZMQGLOCHIJP-PGRDOPGGSA-N 1 2 430.936 3.030 20 0 IGADLO COc1ccc(C(F)(F)N2CCc3c([nH+]cn3C(C)C)[C@H]2CNC(C)=O)c(Cl)n1 ZINC001164725537 720314374 /nfs/dbraw/zinc/31/43/74/720314374.db2.gz XAEUZQBPDBYGJN-OAHLLOKOSA-N 1 2 427.883 3.306 20 0 IGADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)Cc1nc(Cl)cc(Cl)n1 ZINC001164725472 720314823 /nfs/dbraw/zinc/31/48/23/720314823.db2.gz VRYZTDZMDCIMMT-CYBMUJFWSA-N 1 2 447.317 3.432 20 0 IGADLO Cc1cc2c(ncnc2N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)s1 ZINC001164825583 720356927 /nfs/dbraw/zinc/35/69/27/720356927.db2.gz RJOMCDXRQSVLSP-UHFFFAOYSA-N 1 2 442.614 3.078 20 0 IGADLO Cc1cc2c(ncnc2N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)s1 ZINC001164825583 720356930 /nfs/dbraw/zinc/35/69/30/720356930.db2.gz RJOMCDXRQSVLSP-UHFFFAOYSA-N 1 2 442.614 3.078 20 0 IGADLO CSc1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c(C)c1 ZINC001164820773 720377432 /nfs/dbraw/zinc/37/74/32/720377432.db2.gz UNPYRMKNBRHIFG-UHFFFAOYSA-N 1 2 431.631 3.190 20 0 IGADLO CSc1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c(C)c1 ZINC001164820773 720377438 /nfs/dbraw/zinc/37/74/38/720377438.db2.gz UNPYRMKNBRHIFG-UHFFFAOYSA-N 1 2 431.631 3.190 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(-c5ccccc5)ncn4)CC3)C2=O)cs1 ZINC001164819212 720377450 /nfs/dbraw/zinc/37/74/50/720377450.db2.gz ACFOBAHPSDXUJR-UHFFFAOYSA-N 1 2 448.596 3.222 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(-c5ccccc5)ncn4)CC3)C2=O)cs1 ZINC001164819212 720377457 /nfs/dbraw/zinc/37/74/57/720377457.db2.gz ACFOBAHPSDXUJR-UHFFFAOYSA-N 1 2 448.596 3.222 20 0 IGADLO Cc1nc(CN2CCN(C)C3(CCN(c4ccc(C(C)(C)C)c[nH+]4)CC3)C2=O)cs1 ZINC001164821418 720385854 /nfs/dbraw/zinc/38/58/54/720385854.db2.gz GJIWBXFDHPGPGL-UHFFFAOYSA-N 1 2 427.618 3.457 20 0 IGADLO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)O2)n1 ZINC001164832131 720402416 /nfs/dbraw/zinc/40/24/16/720402416.db2.gz ZSFFADHXRRXDHM-VSKRKVRLSA-N 1 2 432.528 3.225 20 0 IGADLO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)O2)n1 ZINC001164832131 720402419 /nfs/dbraw/zinc/40/24/19/720402419.db2.gz ZSFFADHXRRXDHM-VSKRKVRLSA-N 1 2 432.528 3.225 20 0 IGADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc3ccc(Cl)cc31)C2 ZINC001164825609 720444030 /nfs/dbraw/zinc/44/40/30/720444030.db2.gz SQBLYXLEXIGEGS-GOSISDBHSA-N 1 2 441.963 3.074 20 0 IGADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)Sc1ccc(Cl)nc1)C2 ZINC001164859391 720896730 /nfs/dbraw/zinc/89/67/30/720896730.db2.gz PQOQTUKUMYNHGJ-UHFFFAOYSA-N 1 2 438.891 3.085 20 0 IGADLO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc4[nH]cnc4cc3Cl)C2)C1 ZINC001164780764 721356603 /nfs/dbraw/zinc/35/66/03/721356603.db2.gz HEUSTXHOBCSZIZ-OAQYLSRUSA-N 1 2 430.940 3.335 20 0 IGADLO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc4[nH]cnc4cc3Cl)C2)C1 ZINC001164780764 721356609 /nfs/dbraw/zinc/35/66/09/721356609.db2.gz HEUSTXHOBCSZIZ-OAQYLSRUSA-N 1 2 430.940 3.335 20 0 IGADLO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164786831 721397255 /nfs/dbraw/zinc/39/72/55/721397255.db2.gz PGCFIZFVRFOBQK-ZIAGYGMSSA-N 1 2 440.951 3.300 20 0 IGADLO CCS(=O)(=O)c1ccnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164909879 721738811 /nfs/dbraw/zinc/73/88/11/721738811.db2.gz FJHRPXKBTWRQEY-FQEVSTJZSA-N 1 2 436.528 3.008 20 0 IGADLO CCS(=O)(=O)c1ccnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164909879 721738816 /nfs/dbraw/zinc/73/88/16/721738816.db2.gz FJHRPXKBTWRQEY-FQEVSTJZSA-N 1 2 436.528 3.008 20 0 IGADLO Cc1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(-c2ccsc2)n1 ZINC001164915616 721797324 /nfs/dbraw/zinc/79/73/24/721797324.db2.gz WZTIBWXWHBUQTR-HSZRJFAPSA-N 1 2 437.569 3.016 20 0 IGADLO Cc1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(-c2ccsc2)n1 ZINC001164915616 721797327 /nfs/dbraw/zinc/79/73/27/721797327.db2.gz WZTIBWXWHBUQTR-HSZRJFAPSA-N 1 2 437.569 3.016 20 0 IGADLO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915663 721800141 /nfs/dbraw/zinc/80/01/41/721800141.db2.gz XHHBULBUYVFXMF-UZUQRXQVSA-N 1 2 445.995 3.455 20 0 IGADLO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915663 721800142 /nfs/dbraw/zinc/80/01/42/721800142.db2.gz XHHBULBUYVFXMF-UZUQRXQVSA-N 1 2 445.995 3.455 20 0 IGADLO CCS(=O)(=O)c1ccnc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001164945848 721933656 /nfs/dbraw/zinc/93/36/56/721933656.db2.gz XNVMLDHLVQFPHW-UHFFFAOYSA-N 1 2 429.586 3.055 20 0 IGADLO CCS(=O)(=O)c1ccnc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001164945848 721933658 /nfs/dbraw/zinc/93/36/58/721933658.db2.gz XNVMLDHLVQFPHW-UHFFFAOYSA-N 1 2 429.586 3.055 20 0 IGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cncc(OCC3CCCC3)n1)CC2 ZINC001164946366 721981209 /nfs/dbraw/zinc/98/12/09/721981209.db2.gz DFBKNPGRZDTXIJ-UHFFFAOYSA-N 1 2 435.572 3.017 20 0 IGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cncc(OCC3CCCC3)n1)CC2 ZINC001164946366 721981212 /nfs/dbraw/zinc/98/12/12/721981212.db2.gz DFBKNPGRZDTXIJ-UHFFFAOYSA-N 1 2 435.572 3.017 20 0 IGADLO O=C(NC1CCC1)C1C[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]2C1 ZINC001164972623 722084515 /nfs/dbraw/zinc/08/45/15/722084515.db2.gz LZJIQBMTYQDYPI-NHCUHLMSSA-N 1 2 431.584 3.166 20 0 IGADLO O=C(NC1CCC1)C1C[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]2C1 ZINC001164972623 722084518 /nfs/dbraw/zinc/08/45/18/722084518.db2.gz LZJIQBMTYQDYPI-NHCUHLMSSA-N 1 2 431.584 3.166 20 0 IGADLO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCC[C@@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 ZINC001165000235 722219017 /nfs/dbraw/zinc/21/90/17/722219017.db2.gz VSQAUADUZNWBTR-JOCHJYFZSA-N 1 2 427.936 3.292 20 0 IGADLO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCC[C@@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 ZINC001165000235 722219018 /nfs/dbraw/zinc/21/90/18/722219018.db2.gz VSQAUADUZNWBTR-JOCHJYFZSA-N 1 2 427.936 3.292 20 0 IGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccnc(Cl)c2)ccn1 ZINC001164703290 719846168 /nfs/dbraw/zinc/84/61/68/719846168.db2.gz PXXLEFXUCBWCBE-AVRDEDQJSA-N 1 2 430.936 3.030 20 0 IGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2cc(C)c(C)cc2nc1Cl ZINC001164700112 719860670 /nfs/dbraw/zinc/86/06/70/719860670.db2.gz GLRMIFDWLGPFHJ-KSFYIVLOSA-N 1 2 432.952 3.133 20 0 IGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2cccc(Cl)c2)nn1 ZINC001164706466 719868708 /nfs/dbraw/zinc/86/87/08/719868708.db2.gz PMVZMQGLOCHIJP-AVRDEDQJSA-N 1 2 430.936 3.030 20 0 IGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2c(Cl)cccc2nc1Cl ZINC001164707795 719876808 /nfs/dbraw/zinc/87/68/08/719876808.db2.gz VMVRXZBGPYPFEW-RBZFPXEDSA-N 1 2 439.343 3.169 20 0 IGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)C1(c2ccc(Cl)nc2)CC1 ZINC001164698294 719879533 /nfs/dbraw/zinc/87/95/33/719879533.db2.gz FBYNNMVEQSLKNJ-VQIMIIECSA-N 1 2 443.922 3.088 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(Cl)nc(C5CC5)n4)CC3)C2=O)cs1 ZINC001164824781 720361887 /nfs/dbraw/zinc/36/18/87/720361887.db2.gz KXFQKNKIUXLVPF-UHFFFAOYSA-N 1 2 447.008 3.086 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(Cl)nc(C5CC5)n4)CC3)C2=O)cs1 ZINC001164824781 720361894 /nfs/dbraw/zinc/36/18/94/720361894.db2.gz KXFQKNKIUXLVPF-UHFFFAOYSA-N 1 2 447.008 3.086 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc5ccc(F)cc5cn4)CC3)C2=O)cs1 ZINC001164820048 720381410 /nfs/dbraw/zinc/38/14/10/720381410.db2.gz KTPSVOQQXVDJCC-UHFFFAOYSA-N 1 2 439.560 3.452 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc5ccc(F)cc5cn4)CC3)C2=O)cs1 ZINC001164820048 720381418 /nfs/dbraw/zinc/38/14/18/720381418.db2.gz KTPSVOQQXVDJCC-UHFFFAOYSA-N 1 2 439.560 3.452 20 0 IGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc3c(Cl)cccc3n1)C2 ZINC001164822395 720450246 /nfs/dbraw/zinc/45/02/46/720450246.db2.gz DLDVWNZADOHSRR-KRWDZBQOSA-N 1 2 441.963 3.074 20 0 IGADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cnc(Cl)cc1Cl)C2 ZINC001164855821 720895316 /nfs/dbraw/zinc/89/53/16/720895316.db2.gz CNNOCLHYYHZZBS-UHFFFAOYSA-N 1 2 441.269 3.145 20 0 IGADLO COC(=O)c1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)cnc1Cl ZINC001164758575 720976132 /nfs/dbraw/zinc/97/61/32/720976132.db2.gz WJZHRBFKRKXNCK-AWEZNQCLSA-N 1 2 440.878 3.326 20 0 IGADLO CN(C)c1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)nc(Cl)n1 ZINC001164758303 720982944 /nfs/dbraw/zinc/98/29/44/720982944.db2.gz UZECJGGORBCBPH-AWEZNQCLSA-N 1 2 426.899 3.000 20 0 IGADLO COC(=O)c1ccc(C(F)(F)N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c(Cl)n1 ZINC001164784891 721407830 /nfs/dbraw/zinc/40/78/30/721407830.db2.gz LUEZJRGYLDHAHH-VXGBXAGGSA-N 1 2 428.892 3.091 20 0 IGADLO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCC3(CC2)c2ncc(C)n2CC[N@H+]3C)c1 ZINC001164918990 721818249 /nfs/dbraw/zinc/81/82/49/721818249.db2.gz XZRNVIULRYHSNJ-UHFFFAOYSA-N 1 2 439.894 3.013 20 0 IGADLO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCC3(CC2)c2ncc(C)n2CC[N@@H+]3C)c1 ZINC001164918990 721818251 /nfs/dbraw/zinc/81/82/51/721818251.db2.gz XZRNVIULRYHSNJ-UHFFFAOYSA-N 1 2 439.894 3.013 20 0 IGADLO FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165043910 721954071 /nfs/dbraw/zinc/95/40/71/721954071.db2.gz GUMGMFCIJARPFG-UHFFFAOYSA-N 1 2 437.922 3.476 20 0 IGADLO CCCN(CCC)c1cncc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164948430 721976223 /nfs/dbraw/zinc/97/62/23/721976223.db2.gz ZBHLNTJGFNZYGH-UHFFFAOYSA-N 1 2 436.604 3.074 20 0 IGADLO CCCN(CCC)c1cncc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164948430 721976225 /nfs/dbraw/zinc/97/62/25/721976225.db2.gz ZBHLNTJGFNZYGH-UHFFFAOYSA-N 1 2 436.604 3.074 20 0 IGADLO CC(C)(C)c1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164947003 721977668 /nfs/dbraw/zinc/97/76/68/721977668.db2.gz NBEHGDSUKFNXRU-UHFFFAOYSA-N 1 2 427.980 3.399 20 0 IGADLO CC(C)(C)c1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164947003 721977672 /nfs/dbraw/zinc/97/76/72/721977672.db2.gz NBEHGDSUKFNXRU-UHFFFAOYSA-N 1 2 427.980 3.399 20 0 IGADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCC4(C3)OCCO4)c2c1C ZINC001165047221 721985303 /nfs/dbraw/zinc/98/53/03/721985303.db2.gz JGDRAECVIHTJOQ-UHFFFAOYSA-N 1 2 446.573 3.116 20 0 IGADLO FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165055556 722016546 /nfs/dbraw/zinc/01/65/46/722016546.db2.gz PWDJGHQLFFNVKB-UHFFFAOYSA-N 1 2 430.890 3.497 20 0 IGADLO Cn1cnc2c1nc(Cl)nc2N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164672328 719502526 /nfs/dbraw/zinc/50/25/26/719502526.db2.gz KXEAAYYKAUFAGS-UHFFFAOYSA-N 1 2 430.915 3.027 20 0 IGADLO Cn1cnc2c1nc(Cl)nc2N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164672328 719502536 /nfs/dbraw/zinc/50/25/36/719502536.db2.gz KXEAAYYKAUFAGS-UHFFFAOYSA-N 1 2 430.915 3.027 20 0 IGADLO Cc1nc2c(nc(Cl)nc2N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1C ZINC001164673923 719521491 /nfs/dbraw/zinc/52/14/91/719521491.db2.gz SZDAHQKSKGDIAP-UHFFFAOYSA-N 1 2 444.942 3.336 20 0 IGADLO Cc1nc2c(nc(Cl)nc2N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1C ZINC001164673923 719521499 /nfs/dbraw/zinc/52/14/99/719521499.db2.gz SZDAHQKSKGDIAP-UHFFFAOYSA-N 1 2 444.942 3.336 20 0 IGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1c(C)nc(-c2ccccc2)nc1Cl ZINC001164706601 719870921 /nfs/dbraw/zinc/87/09/21/719870921.db2.gz QFNDFMIMPPUFIH-FDDCHVKYSA-N 1 2 444.963 3.338 20 0 IGADLO O=C1N(CC2CC2)CC[C@@]12CCCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164817273 720277491 /nfs/dbraw/zinc/27/74/91/720277491.db2.gz BYDKOGDOLOBADZ-AREMUKBSSA-N 1 2 431.584 3.264 20 0 IGADLO O=C1N(CC2CC2)CC[C@@]12CCCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164817273 720277519 /nfs/dbraw/zinc/27/75/19/720277519.db2.gz BYDKOGDOLOBADZ-AREMUKBSSA-N 1 2 431.584 3.264 20 0 IGADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1nc(C)c(C)c(Cl)n1 ZINC001164726257 720315646 /nfs/dbraw/zinc/31/56/46/720315646.db2.gz YTNYVFWDUOWAIB-OAHLLOKOSA-N 1 2 426.899 3.309 20 0 IGADLO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164826909 720396849 /nfs/dbraw/zinc/39/68/49/720396849.db2.gz DZTZARACVAJAPN-UHFFFAOYSA-N 1 2 430.850 3.075 20 0 IGADLO CN(C)c1cc(C(F)(F)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)nc(Cl)n1 ZINC001164869163 721221658 /nfs/dbraw/zinc/22/16/58/721221658.db2.gz CIGKPUYUIMXMPJ-UHFFFAOYSA-N 1 2 438.910 3.012 20 0 IGADLO COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164786735 721405776 /nfs/dbraw/zinc/40/57/76/721405776.db2.gz PBNTXTAKKDZITO-TXEJJXNPSA-N 1 2 428.892 3.091 20 0 IGADLO COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164786735 721405780 /nfs/dbraw/zinc/40/57/80/721405780.db2.gz PBNTXTAKKDZITO-TXEJJXNPSA-N 1 2 428.892 3.091 20 0 IGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc3ccccc3nc1N1CCCCC1)C2 ZINC001165009266 721712675 /nfs/dbraw/zinc/71/26/75/721712675.db2.gz RXLOVFYWXBSOJT-UHFFFAOYSA-N 1 2 434.592 3.462 20 0 IGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc3ccccc3nc1N1CCCCC1)C2 ZINC001165009266 721712677 /nfs/dbraw/zinc/71/26/77/721712677.db2.gz RXLOVFYWXBSOJT-UHFFFAOYSA-N 1 2 434.592 3.462 20 0 IGADLO Cc1ccc(C(F)(F)N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1Cl ZINC001164917902 721784722 /nfs/dbraw/zinc/78/47/22/721784722.db2.gz ZOADMPANZGBKAM-HXUWFJFHSA-N 1 2 438.906 3.091 20 0 IGADLO Cc1ccc(C(F)(F)N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1Cl ZINC001164917902 721784725 /nfs/dbraw/zinc/78/47/25/721784725.db2.gz ZOADMPANZGBKAM-HXUWFJFHSA-N 1 2 438.906 3.091 20 0 IGADLO COc1cccc(-c2ccnc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)n2)c1 ZINC001164948185 721976510 /nfs/dbraw/zinc/97/65/10/721976510.db2.gz UXCGCOHYBUHERJ-UHFFFAOYSA-N 1 2 443.551 3.123 20 0 IGADLO COc1cccc(-c2ccnc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)n2)c1 ZINC001164948185 721976511 /nfs/dbraw/zinc/97/65/11/721976511.db2.gz UXCGCOHYBUHERJ-UHFFFAOYSA-N 1 2 443.551 3.123 20 0 IGADLO COc1ccccc1-c1ccnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164949440 721978852 /nfs/dbraw/zinc/97/88/52/721978852.db2.gz QIKRRSXAXSRPGR-UHFFFAOYSA-N 1 2 443.551 3.123 20 0 IGADLO COc1ccccc1-c1ccnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164949440 721978855 /nfs/dbraw/zinc/97/88/55/721978855.db2.gz QIKRRSXAXSRPGR-UHFFFAOYSA-N 1 2 443.551 3.123 20 0 IGADLO COC(=O)c1c(C)cc(C)[nH+]c1N1CC[C@H]2OCCN(Cc3csc(C)n3)[C@H]2CC1 ZINC001164992199 722181188 /nfs/dbraw/zinc/18/11/88/722181188.db2.gz RZJZWFMMNICPLT-RBUKOAKNSA-N 1 2 430.574 3.120 20 0 IGADLO CCOC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccc(OC)cc3)C[C@@H]2c2ccco2)CC1 ZINC000023750992 557375682 /nfs/dbraw/zinc/37/56/82/557375682.db2.gz RBRRCGUGYCWMQZ-OAQYLSRUSA-N 1 2 439.512 3.241 20 0 IGADLO Cc1cc(Cl)nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1C(N)=O ZINC001164667725 719495168 /nfs/dbraw/zinc/49/51/68/719495168.db2.gz MJFMKEXYUUIPLP-UHFFFAOYSA-N 1 2 432.927 3.153 20 0 IGADLO Cc1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1C(N)=O ZINC001164667725 719495179 /nfs/dbraw/zinc/49/51/79/719495179.db2.gz MJFMKEXYUUIPLP-UHFFFAOYSA-N 1 2 432.927 3.153 20 0 IGADLO CCOc1ccc(C(=O)OC)c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164672564 719512454 /nfs/dbraw/zinc/51/24/54/719512454.db2.gz KYNOTWCZSXVUAN-UHFFFAOYSA-N 1 2 443.519 3.277 20 0 IGADLO CCOc1ccc(C(=O)OC)c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164672564 719512465 /nfs/dbraw/zinc/51/24/65/719512465.db2.gz KYNOTWCZSXVUAN-UHFFFAOYSA-N 1 2 443.519 3.277 20 0 IGADLO CNC(=O)c1nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)ccc1Cl ZINC001164672553 719515398 /nfs/dbraw/zinc/51/53/98/719515398.db2.gz KIFLWHIUGUNXHH-UHFFFAOYSA-N 1 2 432.927 3.105 20 0 IGADLO CNC(=O)c1nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)ccc1Cl ZINC001164672553 719515402 /nfs/dbraw/zinc/51/54/02/719515402.db2.gz KIFLWHIUGUNXHH-UHFFFAOYSA-N 1 2 432.927 3.105 20 0 IGADLO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164677282 719568302 /nfs/dbraw/zinc/56/83/02/719568302.db2.gz YJGBQMGUYJORCY-UHFFFAOYSA-N 1 2 437.863 3.166 20 0 IGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccnc(CSc2ccccc2)n1 ZINC001164708417 719877744 /nfs/dbraw/zinc/87/77/44/719877744.db2.gz ZDIROVCMCFILAL-JPYJTQIMSA-N 1 2 442.585 3.002 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C)nc5ccccc54)CC3)C2=O)cs1 ZINC001164824809 720362455 /nfs/dbraw/zinc/36/24/55/720362455.db2.gz MMVROZKWXXGGNU-UHFFFAOYSA-N 1 2 436.585 3.016 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C)nc5ccccc54)CC3)C2=O)cs1 ZINC001164824809 720362463 /nfs/dbraw/zinc/36/24/63/720362463.db2.gz MMVROZKWXXGGNU-UHFFFAOYSA-N 1 2 436.585 3.016 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4c(Cl)ccnc4Cl)CC3)C2=O)cs1 ZINC001164826504 720367688 /nfs/dbraw/zinc/36/76/88/720367688.db2.gz WLXRNVBJCOEXMO-UHFFFAOYSA-N 1 2 440.400 3.467 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4c(Cl)ccnc4Cl)CC3)C2=O)cs1 ZINC001164826504 720367692 /nfs/dbraw/zinc/36/76/92/720367692.db2.gz WLXRNVBJCOEXMO-UHFFFAOYSA-N 1 2 440.400 3.467 20 0 IGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc3ccc(Cl)cc31)C2 ZINC001164825610 720444242 /nfs/dbraw/zinc/44/42/42/720444242.db2.gz SQBLYXLEXIGEGS-SFHVURJKSA-N 1 2 441.963 3.074 20 0 IGADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1ccnc(Cl)c1Cl)C2 ZINC001164855939 720895539 /nfs/dbraw/zinc/89/55/39/720895539.db2.gz DKIZBJDFCSFNOJ-UHFFFAOYSA-N 1 2 441.269 3.145 20 0 IGADLO COC(=O)c1cc(Cl)nc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)c1 ZINC001164756449 720978230 /nfs/dbraw/zinc/97/82/30/720978230.db2.gz ILAPUDAMXRFNTE-AWEZNQCLSA-N 1 2 440.878 3.326 20 0 IGADLO FC(F)[C@@](F)(COc1cncc(Cl)n1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164758961 720980501 /nfs/dbraw/zinc/98/05/01/720980501.db2.gz XRWGFMVSRHUINA-AUUYWEPGSA-N 1 2 445.873 3.195 20 0 IGADLO CN(C)c1cc(Cl)nc(C(F)(F)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)n1 ZINC001164875864 721218863 /nfs/dbraw/zinc/21/88/63/721218863.db2.gz XWWJQAMCMKTGTK-UHFFFAOYSA-N 1 2 438.910 3.012 20 0 IGADLO COC(=O)c1cc(C(F)(F)N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)cnc1Cl ZINC001164785686 721402966 /nfs/dbraw/zinc/40/29/66/721402966.db2.gz MGZXGQBGDWQQFR-TXEJJXNPSA-N 1 2 428.892 3.091 20 0 IGADLO COC(=O)c1cc(C(F)(F)N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)cnc1Cl ZINC001164785686 721402970 /nfs/dbraw/zinc/40/29/70/721402970.db2.gz MGZXGQBGDWQQFR-TXEJJXNPSA-N 1 2 428.892 3.091 20 0 IGADLO COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164790458 721407900 /nfs/dbraw/zinc/40/79/00/721407900.db2.gz XTIJDKRHGYGCMZ-VXGBXAGGSA-N 1 2 428.892 3.091 20 0 IGADLO CCOC(=O)c1ccc(C(F)(F)N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c(Cl)n1 ZINC001164789610 721422912 /nfs/dbraw/zinc/42/29/12/721422912.db2.gz VURPLSVTFGNXSI-CHWSQXEVSA-N 1 2 442.919 3.481 20 0 IGADLO COC(=O)c1cnc(Cl)cc1C(F)(F)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164788288 721425349 /nfs/dbraw/zinc/42/53/49/721425349.db2.gz STRJEUYOFOGORN-RYUDHWBXSA-N 1 2 428.892 3.091 20 0 IGADLO CCOC(=O)c1cnc(Cl)c(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c1Cl ZINC001165010288 721699490 /nfs/dbraw/zinc/69/94/90/721699490.db2.gz GWSRBMIEBGWWFR-UHFFFAOYSA-N 1 2 441.363 3.407 20 0 IGADLO CCOC(=O)c1cnc(Cl)c(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c1Cl ZINC001165010288 721699495 /nfs/dbraw/zinc/69/94/95/721699495.db2.gz GWSRBMIEBGWWFR-UHFFFAOYSA-N 1 2 441.363 3.407 20 0 IGADLO COc1cc2nc(Cl)c(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)nc2cc1OC ZINC001165011663 721704425 /nfs/dbraw/zinc/70/44/25/721704425.db2.gz UOBXJCSQIPIZQI-UHFFFAOYSA-N 1 2 445.955 3.142 20 0 IGADLO COc1cc2nc(Cl)c(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)nc2cc1OC ZINC001165011663 721704432 /nfs/dbraw/zinc/70/44/32/721704432.db2.gz UOBXJCSQIPIZQI-UHFFFAOYSA-N 1 2 445.955 3.142 20 0 IGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(-c3ccc4c(c3)OCCCO4)nn1)C2 ZINC001165010073 721716152 /nfs/dbraw/zinc/71/61/52/721716152.db2.gz YPXLZRVNSGYOTP-UHFFFAOYSA-N 1 2 449.559 3.147 20 0 IGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(-c3ccc4c(c3)OCCCO4)nn1)C2 ZINC001165010073 721716160 /nfs/dbraw/zinc/71/61/60/721716160.db2.gz YPXLZRVNSGYOTP-UHFFFAOYSA-N 1 2 449.559 3.147 20 0 IGADLO COc1ccc2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c(C)cc2c1 ZINC001164912721 721767864 /nfs/dbraw/zinc/76/78/64/721767864.db2.gz OXTAMRLSMRYRSU-RUZDIDTESA-N 1 2 434.540 3.055 20 0 IGADLO COc1ccc2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c(C)cc2c1 ZINC001164912721 721767870 /nfs/dbraw/zinc/76/78/70/721767870.db2.gz OXTAMRLSMRYRSU-RUZDIDTESA-N 1 2 434.540 3.055 20 0 IGADLO Cc1nc(CN2CCO[C@H]3CCN(c4cc(N5CCCCC5)[nH+]cn4)CC[C@@H]32)cs1 ZINC001164988140 722185024 /nfs/dbraw/zinc/18/50/24/722185024.db2.gz MASOMJXKRCEJEK-PMACEKPBSA-N 1 2 428.606 3.102 20 0 IGADLO Cc1nc(CN2CCO[C@H]3CCN(c4cc(N5CCCCC5)nc[nH+]4)CC[C@@H]32)cs1 ZINC001164988140 722185025 /nfs/dbraw/zinc/18/50/25/722185025.db2.gz MASOMJXKRCEJEK-PMACEKPBSA-N 1 2 428.606 3.102 20 0 IGADLO Cc1noc([C@@H]2C[C@H]3CCN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@H]3O2)n1 ZINC001164653121 719298072 /nfs/dbraw/zinc/29/80/72/719298072.db2.gz OHBDMSSICFMOJO-BVYCBKJFSA-N 1 2 432.528 3.083 20 0 IGADLO Cc1noc([C@@H]2C[C@H]3CCN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@H]3O2)n1 ZINC001164653121 719298075 /nfs/dbraw/zinc/29/80/75/719298075.db2.gz OHBDMSSICFMOJO-BVYCBKJFSA-N 1 2 432.528 3.083 20 0 IGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3c(cn1)NC(=O)C3)CC2 ZINC001164663446 719347158 /nfs/dbraw/zinc/34/71/58/719347158.db2.gz GZVVLBIPCXMIPQ-UHFFFAOYSA-N 1 2 428.540 3.271 20 0 IGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3c(cn1)NC(=O)C3)CC2 ZINC001164663446 719347160 /nfs/dbraw/zinc/34/71/60/719347160.db2.gz GZVVLBIPCXMIPQ-UHFFFAOYSA-N 1 2 428.540 3.271 20 0 IGADLO CCOC(=O)c1cncc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)n1 ZINC001164662865 719349985 /nfs/dbraw/zinc/34/99/85/719349985.db2.gz AMLFNWCZMNBIIQ-UHFFFAOYSA-N 1 2 446.555 3.348 20 0 IGADLO CCOC(=O)c1cncc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)n1 ZINC001164662865 719349989 /nfs/dbraw/zinc/34/99/89/719349989.db2.gz AMLFNWCZMNBIIQ-UHFFFAOYSA-N 1 2 446.555 3.348 20 0 IGADLO CC(C)(C)OC(=O)c1ccnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164670149 719512018 /nfs/dbraw/zinc/51/20/18/719512018.db2.gz BLNVGUJENSAIDM-UHFFFAOYSA-N 1 2 442.535 3.442 20 0 IGADLO CC(C)(C)OC(=O)c1ccnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164670149 719512024 /nfs/dbraw/zinc/51/20/24/719512024.db2.gz BLNVGUJENSAIDM-UHFFFAOYSA-N 1 2 442.535 3.442 20 0 IGADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc(Cl)cc2)nn1 ZINC001164699376 719843533 /nfs/dbraw/zinc/84/35/33/719843533.db2.gz HWRTUWZPMSISIE-GCJKJVERSA-N 1 2 430.936 3.030 20 0 IGADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2cccc(Cl)c2)ncn1 ZINC001164706545 719870722 /nfs/dbraw/zinc/87/07/22/719870722.db2.gz PTNYJVBIRVFGIC-XMSQKQJNSA-N 1 2 430.936 3.030 20 0 IGADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccnc(CSc2ccccc2)n1 ZINC001164708419 719877661 /nfs/dbraw/zinc/87/76/61/719877661.db2.gz ZDIROVCMCFILAL-MBSDFSHPSA-N 1 2 442.585 3.002 20 0 IGADLO Cc1csc2ncnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)c12 ZINC001164826531 720358682 /nfs/dbraw/zinc/35/86/82/720358682.db2.gz WTQNMQODDFZVSX-UHFFFAOYSA-N 1 2 442.614 3.078 20 0 IGADLO Cc1csc2ncnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)c12 ZINC001164826531 720358686 /nfs/dbraw/zinc/35/86/86/720358686.db2.gz WTQNMQODDFZVSX-UHFFFAOYSA-N 1 2 442.614 3.078 20 0 IGADLO CCc1nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c(Cl)nc1C ZINC001164825951 720386179 /nfs/dbraw/zinc/38/61/79/720386179.db2.gz WDNSWOJTBGRFPK-UHFFFAOYSA-N 1 2 449.024 3.079 20 0 IGADLO CCc1nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c(Cl)nc1C ZINC001164825951 720386189 /nfs/dbraw/zinc/38/61/89/720386189.db2.gz WDNSWOJTBGRFPK-UHFFFAOYSA-N 1 2 449.024 3.079 20 0 IGADLO Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)O2)n1 ZINC001164832125 720401426 /nfs/dbraw/zinc/40/14/26/720401426.db2.gz ZSFFADHXRRXDHM-BDTNDASRSA-N 1 2 432.528 3.225 20 0 IGADLO Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)O2)n1 ZINC001164832125 720401440 /nfs/dbraw/zinc/40/14/40/720401440.db2.gz ZSFFADHXRRXDHM-BDTNDASRSA-N 1 2 432.528 3.225 20 0 IGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc3c(Cl)cccc31)C2 ZINC001164825737 720449980 /nfs/dbraw/zinc/44/99/80/720449980.db2.gz URAIZPAWFSFKCI-KRWDZBQOSA-N 1 2 441.963 3.074 20 0 IGADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cnc(Cl)c(Cl)c1)C2 ZINC001164855954 720895457 /nfs/dbraw/zinc/89/54/57/720895457.db2.gz DOZBCPZYEQSXNA-UHFFFAOYSA-N 1 2 441.269 3.145 20 0 IGADLO COC(=O)c1ccc(C(F)(F)N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c(Cl)n1 ZINC001164784882 721407874 /nfs/dbraw/zinc/40/78/74/721407874.db2.gz LUEZJRGYLDHAHH-RYUDHWBXSA-N 1 2 428.892 3.091 20 0 IGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)ccc1C(=O)NC(C)(C)C)C2 ZINC001165011788 721705656 /nfs/dbraw/zinc/70/56/56/721705656.db2.gz YVCCTGGHVUODGB-UHFFFAOYSA-N 1 2 433.988 3.105 20 0 IGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)ccc1C(=O)NC(C)(C)C)C2 ZINC001165011788 721705660 /nfs/dbraw/zinc/70/56/60/721705660.db2.gz YVCCTGGHVUODGB-UHFFFAOYSA-N 1 2 433.988 3.105 20 0 IGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)C2 ZINC001165008208 721708230 /nfs/dbraw/zinc/70/82/30/721708230.db2.gz CQOWWPQHEFEPEB-UHFFFAOYSA-N 1 2 446.918 3.298 20 0 IGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)C2 ZINC001165008208 721708239 /nfs/dbraw/zinc/70/82/39/721708239.db2.gz CQOWWPQHEFEPEB-UHFFFAOYSA-N 1 2 446.918 3.298 20 0 IGADLO Cc1ccc(F)c2cc(C)c(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc12 ZINC001164916413 721788479 /nfs/dbraw/zinc/78/84/79/721788479.db2.gz QRAVXXRJXMZABS-VWLOTQADSA-N 1 2 436.531 3.494 20 0 IGADLO Cc1ccc(F)c2cc(C)c(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc12 ZINC001164916413 721788480 /nfs/dbraw/zinc/78/84/80/721788480.db2.gz QRAVXXRJXMZABS-VWLOTQADSA-N 1 2 436.531 3.494 20 0 IGADLO CC(C)c1nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cc(C(C)(C)C)n1 ZINC001164915770 721796872 /nfs/dbraw/zinc/79/68/72/721796872.db2.gz ZUICWCHUGUHAND-RUZDIDTESA-N 1 2 439.604 3.400 20 0 IGADLO CC(C)c1nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cc(C(C)(C)C)n1 ZINC001164915770 721796877 /nfs/dbraw/zinc/79/68/77/721796877.db2.gz ZUICWCHUGUHAND-RUZDIDTESA-N 1 2 439.604 3.400 20 0 IGADLO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC2(CC1)c1ncc(C)n1CC[N@H+]2C ZINC001164917869 721818926 /nfs/dbraw/zinc/81/89/26/721818926.db2.gz KBYOFKDJUDCFEN-UHFFFAOYSA-N 1 2 439.894 3.013 20 0 IGADLO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC2(CC1)c1ncc(C)n1CC[N@@H+]2C ZINC001164917869 721818927 /nfs/dbraw/zinc/81/89/27/721818927.db2.gz KBYOFKDJUDCFEN-UHFFFAOYSA-N 1 2 439.894 3.013 20 0 IGADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccnc(Cc3ccccc3)n1)CC2 ZINC001164951397 721979723 /nfs/dbraw/zinc/97/97/23/721979723.db2.gz YUVUQYNAMRLLCP-UHFFFAOYSA-N 1 2 427.552 3.038 20 0 IGADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccnc(Cc3ccccc3)n1)CC2 ZINC001164951397 721979726 /nfs/dbraw/zinc/97/97/26/721979726.db2.gz YUVUQYNAMRLLCP-UHFFFAOYSA-N 1 2 427.552 3.038 20 0 IGADLO F[C@@H](Oc1cncc(Cl)n1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164417980 718890833 /nfs/dbraw/zinc/89/08/33/718890833.db2.gz MHWMORIBKOKCMJ-BDJLRTHQSA-N 1 2 442.676 3.246 20 0 IGADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(OC)cc(OC)n1)CC2 ZINC001164664204 719347531 /nfs/dbraw/zinc/34/75/31/719347531.db2.gz UHFUQKHTRSDZRJ-UHFFFAOYSA-N 1 2 434.544 3.189 20 0 IGADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(OC)cc(OC)n1)CC2 ZINC001164664204 719347534 /nfs/dbraw/zinc/34/75/34/719347534.db2.gz UHFUQKHTRSDZRJ-UHFFFAOYSA-N 1 2 434.544 3.189 20 0 IGADLO CCOC(=O)c1cc(F)cnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164672327 719497665 /nfs/dbraw/zinc/49/76/65/719497665.db2.gz KXBRTKBQQHHJPM-UHFFFAOYSA-N 1 2 431.483 3.408 20 0 IGADLO CCOC(=O)c1cc(F)cnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164672327 719497678 /nfs/dbraw/zinc/49/76/78/719497678.db2.gz KXBRTKBQQHHJPM-UHFFFAOYSA-N 1 2 431.483 3.408 20 0 IGADLO CC1(C)OC(=O)c2c1ccnc2N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164673166 719505064 /nfs/dbraw/zinc/50/50/64/719505064.db2.gz OXIQZAIHTGPJTD-UHFFFAOYSA-N 1 2 425.504 3.498 20 0 IGADLO CC1(C)OC(=O)c2c1ccnc2N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164673166 719505076 /nfs/dbraw/zinc/50/50/76/719505076.db2.gz OXIQZAIHTGPJTD-UHFFFAOYSA-N 1 2 425.504 3.498 20 0 IGADLO COCc1cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc(SC)n1 ZINC001164671095 719505704 /nfs/dbraw/zinc/50/57/04/719505704.db2.gz BHINRSZGDCNPLB-UHFFFAOYSA-N 1 2 432.565 3.355 20 0 IGADLO COCc1cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc(SC)n1 ZINC001164671095 719505709 /nfs/dbraw/zinc/50/57/09/719505709.db2.gz BHINRSZGDCNPLB-UHFFFAOYSA-N 1 2 432.565 3.355 20 0 IGADLO CC(C)Oc1ncnc2c1CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164694284 719788897 /nfs/dbraw/zinc/78/88/97/719788897.db2.gz FJJIJVZSUWPJCZ-UHFFFAOYSA-N 1 2 430.556 3.217 20 0 IGADLO CC(C)Oc1ncnc2c1CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164694284 719788905 /nfs/dbraw/zinc/78/89/05/719788905.db2.gz FJJIJVZSUWPJCZ-UHFFFAOYSA-N 1 2 430.556 3.217 20 0 IGADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccnc(Cl)c2)ccn1 ZINC001164703292 719846257 /nfs/dbraw/zinc/84/62/57/719846257.db2.gz PXXLEFXUCBWCBE-PGRDOPGGSA-N 1 2 430.936 3.030 20 0 IGADLO CSc1nc(Cl)cc(C(F)(F)N2CCc3c([nH+]cn3C(C)C)[C@@H]2CNC(C)=O)n1 ZINC001164720811 720311035 /nfs/dbraw/zinc/31/10/35/720311035.db2.gz ABXCNPAYIANQFC-ZDUSSCGKSA-N 1 2 444.939 3.414 20 0 IGADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(Cl)nc(Cl)n1 ZINC001164722791 720311427 /nfs/dbraw/zinc/31/14/27/720311427.db2.gz LSXCVNRZRYRNOM-GFCCVEGCSA-N 1 2 433.290 3.346 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(Cl)cc(Cl)n4)CC3)C2=O)cs1 ZINC001164825576 720358291 /nfs/dbraw/zinc/35/82/91/720358291.db2.gz RGHGXRQFHKXDDA-UHFFFAOYSA-N 1 2 440.400 3.467 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(Cl)cc(Cl)n4)CC3)C2=O)cs1 ZINC001164825576 720358298 /nfs/dbraw/zinc/35/82/98/720358298.db2.gz RGHGXRQFHKXDDA-UHFFFAOYSA-N 1 2 440.400 3.467 20 0 IGADLO CSCc1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c1 ZINC001164821052 720382664 /nfs/dbraw/zinc/38/26/64/720382664.db2.gz DLUUHMXQSSGPAW-UHFFFAOYSA-N 1 2 431.631 3.023 20 0 IGADLO CSCc1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c1 ZINC001164821052 720382669 /nfs/dbraw/zinc/38/26/69/720382669.db2.gz DLUUHMXQSSGPAW-UHFFFAOYSA-N 1 2 431.631 3.023 20 0 IGADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc(Cl)c4C(C)C)CC3)C2=O)cs1 ZINC001164821866 720384646 /nfs/dbraw/zinc/38/46/46/720384646.db2.gz KBHKSYRUCDOUBL-UHFFFAOYSA-N 1 2 449.024 3.332 20 0 IGADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc(Cl)c4C(C)C)CC3)C2=O)cs1 ZINC001164821866 720384656 /nfs/dbraw/zinc/38/46/56/720384656.db2.gz KBHKSYRUCDOUBL-UHFFFAOYSA-N 1 2 449.024 3.332 20 0 IGADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc3cc(Cl)ccc31)C2 ZINC001164824115 720444683 /nfs/dbraw/zinc/44/46/83/720444683.db2.gz MHISZDHUTUPGOE-SFHVURJKSA-N 1 2 441.963 3.074 20 0 IGADLO FC(F)(c1c2c(nnc1Cl)CCC2)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164869964 721219558 /nfs/dbraw/zinc/21/95/58/721219558.db2.gz DUHGKDGPLJOQMF-UHFFFAOYSA-N 1 2 435.906 3.434 20 0 IGADLO CCOC(=O)c1cc2c(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)[nH]c(C)c(C)c-2n1 ZINC001165009073 721707798 /nfs/dbraw/zinc/70/77/98/721707798.db2.gz ONUMZEMTZVSCMY-UHFFFAOYSA-N 1 2 439.564 3.198 20 0 IGADLO CCOC(=O)c1cc2c(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)[nH]c(C)c(C)c-2n1 ZINC001165009073 721707800 /nfs/dbraw/zinc/70/78/00/721707800.db2.gz ONUMZEMTZVSCMY-UHFFFAOYSA-N 1 2 439.564 3.198 20 0 IGADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncc(C(=O)NC3CCCC3)cc1Cl)C2 ZINC001165008332 721715951 /nfs/dbraw/zinc/71/59/51/721715951.db2.gz FCGLZCCUPITYFX-UHFFFAOYSA-N 1 2 445.999 3.249 20 0 IGADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncc(C(=O)NC3CCCC3)cc1Cl)C2 ZINC001165008332 721715957 /nfs/dbraw/zinc/71/59/57/721715957.db2.gz FCGLZCCUPITYFX-UHFFFAOYSA-N 1 2 445.999 3.249 20 0 IGADLO CC[C@H](C)c1nc(Cl)c(C)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915662 721799813 /nfs/dbraw/zinc/79/98/13/721799813.db2.gz XHHBULBUYVFXMF-SBUREZEXSA-N 1 2 445.995 3.455 20 0 IGADLO CC[C@H](C)c1nc(Cl)c(C)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915662 721799815 /nfs/dbraw/zinc/79/98/15/721799815.db2.gz XHHBULBUYVFXMF-SBUREZEXSA-N 1 2 445.995 3.455 20 0 IGADLO Cc1c(Cl)nc(C(C)C)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914669 721800114 /nfs/dbraw/zinc/80/01/14/721800114.db2.gz PMJPEABESQDTGP-QFIPXVFZSA-N 1 2 431.968 3.065 20 0 IGADLO Cc1c(Cl)nc(C(C)C)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914669 721800115 /nfs/dbraw/zinc/80/01/15/721800115.db2.gz PMJPEABESQDTGP-QFIPXVFZSA-N 1 2 431.968 3.065 20 0 IGADLO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165045618 721957306 /nfs/dbraw/zinc/95/73/06/721957306.db2.gz XZBWSENIGUCXEL-UHFFFAOYSA-N 1 2 425.316 3.161 20 0 IGADLO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC001165045487 721959116 /nfs/dbraw/zinc/95/91/16/721959116.db2.gz VKRDRKGRAJVAIJ-UHFFFAOYSA-N 1 2 425.863 3.268 20 0 IGADLO Cc1nc(CN2CCO[C@H]3CCN(c4cc(N5CCCCC5)[nH+]cn4)CC[C@H]32)cs1 ZINC001164988141 722185071 /nfs/dbraw/zinc/18/50/71/722185071.db2.gz MASOMJXKRCEJEK-UXHICEINSA-N 1 2 428.606 3.102 20 0 IGADLO Cc1nc(CN2CCO[C@H]3CCN(c4cc(N5CCCCC5)nc[nH+]4)CC[C@H]32)cs1 ZINC001164988141 722185072 /nfs/dbraw/zinc/18/50/72/722185072.db2.gz MASOMJXKRCEJEK-UXHICEINSA-N 1 2 428.606 3.102 20 0 IGADLO