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(c3ccc(-c4ccc(N5CCCCC5)cc4)nn3)CC2)C1=O ZINC001164644446 719283385 /nfs/dbraw/zinc/28/33/85/719283385.db2.gz JSIRTOSNDAORPK-UHFFFAOYSA-N 1 2 478.641 2.893 20 0 JFADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(-c4ccc(N5CCCCC5)cc4)nn3)CC2)C1=O ZINC001164644446 719283389 /nfs/dbraw/zinc/28/33/89/719283389.db2.gz JSIRTOSNDAORPK-UHFFFAOYSA-N 1 2 478.641 2.893 20 0 JFADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3c(n1)N(C)[C@@H](C)C(=O)N3)CC2 ZINC001164660602 719350332 /nfs/dbraw/zinc/35/03/32/719350332.db2.gz VWODLXPCFFSQBZ-SFHVURJKSA-N 1 2 472.597 2.948 20 0 JFADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3c(n1)N(C)[C@@H](C)C(=O)N3)CC2 ZINC001164660602 719350335 /nfs/dbraw/zinc/35/03/35/719350335.db2.gz VWODLXPCFFSQBZ-SFHVURJKSA-N 1 2 472.597 2.948 20 0 JFADLO O=S(=O)(NC1CC1)c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001164670673 719523930 /nfs/dbraw/zinc/52/39/30/719523930.db2.gz DZYBPRROEKUAEZ-UHFFFAOYSA-N 1 2 460.575 2.533 20 0 JFADLO O=S(=O)(NC1CC1)c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001164670673 719523937 /nfs/dbraw/zinc/52/39/37/719523937.db2.gz DZYBPRROEKUAEZ-UHFFFAOYSA-N 1 2 460.575 2.533 20 0 JFADLO c1cn(Cc2noc3c2CN(c2nc(CN4CCOCC4)nc4sc5c(c42)CCC5)CC3)c[nH+]1 ZINC001164677989 719566400 /nfs/dbraw/zinc/56/64/00/719566400.db2.gz UQYQXXLIAJTCSK-UHFFFAOYSA-N 1 2 477.594 2.808 20 0 JFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c(Cl)nc(Cl)nc21 ZINC001164697296 719846708 /nfs/dbraw/zinc/84/67/08/719846708.db2.gz CJVGXKQGJGBRQH-MGNBDDOMSA-N 1 2 475.764 2.613 20 0 JFADLO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164703135 719850459 /nfs/dbraw/zinc/85/04/59/719850459.db2.gz PAAGNSOTGMUEEN-WAIKUNEKSA-N 1 2 474.583 2.615 20 0 JFADLO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164698384 719852194 /nfs/dbraw/zinc/85/21/94/719852194.db2.gz BWAGAUAKBPHJHB-NPMXOYFQSA-N 1 2 476.961 2.693 20 0 JFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2nc1N1CCCCC1 ZINC001164707192 719866349 /nfs/dbraw/zinc/86/63/49/719866349.db2.gz RARMMKPDBWCUAT-UQBPGWFLSA-N 1 2 453.587 2.853 20 0 JFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(C(=O)N2CCCCC2)cc1Cl ZINC001164708008 719870263 /nfs/dbraw/zinc/87/02/63/719870263.db2.gz XFOBWVGSDSMIEK-FDDCHVKYSA-N 1 2 464.994 2.594 20 0 JFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(C(=O)N2CCCCC2)cc1Cl ZINC001164708010 719870423 /nfs/dbraw/zinc/87/04/23/719870423.db2.gz XFOBWVGSDSMIEK-MBSDFSHPSA-N 1 2 464.994 2.594 20 0 JFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)COC(=O)Nc1cccnc1Cl ZINC001164708212 719877281 /nfs/dbraw/zinc/87/72/81/719877281.db2.gz YQTGWRFPLDNCFR-IFXJQAMLSA-N 1 2 476.908 2.605 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1cc(-c3ccco3)nnc1Cl)CC2 ZINC001164708759 719923470 /nfs/dbraw/zinc/92/34/70/719923470.db2.gz OYMRDFZMOKDLFZ-UHFFFAOYSA-N 1 2 491.930 2.619 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1cc(Cl)ncc1Cl)CC2 ZINC001164704203 719933084 /nfs/dbraw/zinc/93/30/84/719933084.db2.gz PJLVLQFQBJJTBW-UHFFFAOYSA-N 1 2 459.328 2.617 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1ccc(Cl)nc1Cl)CC2 ZINC001164703604 719934284 /nfs/dbraw/zinc/93/42/84/719934284.db2.gz KYFBIUGOYPMGGR-UHFFFAOYSA-N 1 2 459.328 2.617 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1cnc(Cl)cc1Cl)CC2 ZINC001164701809 719936493 /nfs/dbraw/zinc/93/64/93/719936493.db2.gz CCSGVXGRJXZPSA-UHFFFAOYSA-N 1 2 459.328 2.617 20 0 JFADLO COc1cc2cnc(Cl)cc2cc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164714209 720049019 /nfs/dbraw/zinc/04/90/19/720049019.db2.gz PVXREUMQSPUSPZ-UHFFFAOYSA-N 1 2 454.962 2.581 20 0 JFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)C2)C1 ZINC001164721487 720302498 /nfs/dbraw/zinc/30/24/98/720302498.db2.gz HBAUMPJBBJTTJZ-QGZVFWFLSA-N 1 2 470.870 2.964 20 0 JFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)C2)C1 ZINC001164721487 720302507 /nfs/dbraw/zinc/30/25/07/720302507.db2.gz HBAUMPJBBJTTJZ-QGZVFWFLSA-N 1 2 470.870 2.964 20 0 JFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3cccc(F)c3)C2)C1 ZINC001164723354 720307199 /nfs/dbraw/zinc/30/71/99/720307199.db2.gz NWCMCFBXFMVESB-JOCHJYFZSA-N 1 2 463.941 2.726 20 0 JFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3cccc(F)c3)C2)C1 ZINC001164723354 720307207 /nfs/dbraw/zinc/30/72/07/720307207.db2.gz NWCMCFBXFMVESB-JOCHJYFZSA-N 1 2 463.941 2.726 20 0 JFADLO Cc1c[nH]c2nc(Cl)nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)c12 ZINC001164826576 720364906 /nfs/dbraw/zinc/36/49/06/720364906.db2.gz XGBJLABLCUFTAW-UHFFFAOYSA-N 1 2 460.007 2.998 20 0 JFADLO Cc1c[nH]c2nc(Cl)nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)c12 ZINC001164826576 720364916 /nfs/dbraw/zinc/36/49/16/720364916.db2.gz XGBJLABLCUFTAW-UHFFFAOYSA-N 1 2 460.007 2.998 20 0 JFADLO CCOC(=O)c1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c(C)c1 ZINC001164824803 720365483 /nfs/dbraw/zinc/36/54/83/720365483.db2.gz MGSNIHJIWGEYNN-UHFFFAOYSA-N 1 2 457.600 2.645 20 0 JFADLO CCOC(=O)c1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c(C)c1 ZINC001164824803 720365490 /nfs/dbraw/zinc/36/54/90/720365490.db2.gz MGSNIHJIWGEYNN-UHFFFAOYSA-N 1 2 457.600 2.645 20 0 JFADLO COc1ccc2ncc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)nc2c1 ZINC001164821088 720369519 /nfs/dbraw/zinc/36/95/19/720369519.db2.gz WNKHNEMKINBRQO-UHFFFAOYSA-N 1 2 452.584 2.717 20 0 JFADLO COc1ccc2ncc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)nc2c1 ZINC001164821088 720369526 /nfs/dbraw/zinc/36/95/26/720369526.db2.gz WNKHNEMKINBRQO-UHFFFAOYSA-N 1 2 452.584 2.717 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc(C(=O)OC(C)(C)C)n4)CC3)C2=O)cs1 ZINC001164819717 720372261 /nfs/dbraw/zinc/37/22/61/720372261.db2.gz HBCDDGVSLUQKHN-UHFFFAOYSA-N 1 2 472.615 2.510 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc(C(=O)OC(C)(C)C)n4)CC3)C2=O)cs1 ZINC001164819717 720372269 /nfs/dbraw/zinc/37/22/69/720372269.db2.gz HBCDDGVSLUQKHN-UHFFFAOYSA-N 1 2 472.615 2.510 20 0 JFADLO COc1cc2ncnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)c2c(OC)c1 ZINC001164819232 720373104 /nfs/dbraw/zinc/37/31/04/720373104.db2.gz AFZMITBLBKVMFW-UHFFFAOYSA-N 1 2 482.610 2.725 20 0 JFADLO COc1cc2ncnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)c2c(OC)c1 ZINC001164819232 720373112 /nfs/dbraw/zinc/37/31/12/720373112.db2.gz AFZMITBLBKVMFW-UHFFFAOYSA-N 1 2 482.610 2.725 20 0 JFADLO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164820225 720376369 /nfs/dbraw/zinc/37/63/69/720376369.db2.gz MIGUTOOBQWUNHM-SNAWJCMRSA-N 1 2 494.621 2.827 20 0 JFADLO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164820225 720376376 /nfs/dbraw/zinc/37/63/76/720376376.db2.gz MIGUTOOBQWUNHM-SNAWJCMRSA-N 1 2 494.621 2.827 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(-c5ccncc5)nc(C)n4)CC3)C2=O)cs1 ZINC001164822832 720381655 /nfs/dbraw/zinc/38/16/55/720381655.db2.gz MEDUKKVCRMOHLS-UHFFFAOYSA-N 1 2 463.611 2.925 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(-c5ccncc5)nc(C)n4)CC3)C2=O)cs1 ZINC001164822832 720381666 /nfs/dbraw/zinc/38/16/66/720381666.db2.gz MEDUKKVCRMOHLS-UHFFFAOYSA-N 1 2 463.611 2.925 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1nc(Cl)cc(Cl)n1)C2 ZINC001164822082 720435593 /nfs/dbraw/zinc/43/55/93/720435593.db2.gz CIVMSITWISBGNY-ZDUSSCGKSA-N 1 2 477.343 2.514 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3cccc(F)c31)C2 ZINC001164822769 720444155 /nfs/dbraw/zinc/44/41/55/720444155.db2.gz HRKBZDPICPYGKK-OAHLLOKOSA-N 1 2 460.941 2.608 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3c1CCCCC3)C2 ZINC001164825163 720449336 /nfs/dbraw/zinc/44/93/36/720449336.db2.gz QJDSPJBPFVVNND-QGZVFWFLSA-N 1 2 461.010 2.585 20 0 JFADLO Cc1ccc2c(c1)nc(Cl)nc2N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164822410 720452795 /nfs/dbraw/zinc/45/27/95/720452795.db2.gz DUNQSPJVKMFHMI-QGZVFWFLSA-N 1 2 456.978 2.778 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(C(=O)Nc3ccccc3)ccn1)C2 ZINC001164822387 720454972 /nfs/dbraw/zinc/45/49/72/720454972.db2.gz DKSIQZSPLJWGBD-OAQYLSRUSA-N 1 2 476.581 2.520 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)ncc1OCc1ccccc1)C2 ZINC001164823486 720455015 /nfs/dbraw/zinc/45/50/15/720455015.db2.gz KIVVHEOZQZNNFD-FQEVSTJZSA-N 1 2 499.015 2.895 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)C2 ZINC001164830821 720458685 /nfs/dbraw/zinc/45/86/85/720458685.db2.gz MKHHRXCGQQAPJP-KRWDZBQOSA-N 1 2 492.020 2.876 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)cc(Cc3ccccc3)n1)C2 ZINC001164829956 720464802 /nfs/dbraw/zinc/46/48/02/720464802.db2.gz IKTPATRADGUCDU-FQEVSTJZSA-N 1 2 483.016 2.907 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)C2 ZINC001164832284 720466816 /nfs/dbraw/zinc/46/68/16/720466816.db2.gz SPGPAUMMBTXYDO-CQSZACIVSA-N 1 2 491.370 2.600 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncccc1OCc1ccccc1)C2 ZINC001164832250 720469567 /nfs/dbraw/zinc/46/95/67/720469567.db2.gz RVJZEJSCRKACIC-QFIPXVFZSA-N 1 2 463.582 2.847 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(-c3cccc(Cl)c3)nn1)C2 ZINC001164831312 720470664 /nfs/dbraw/zinc/47/06/64/720470664.db2.gz ORNVYPSVQXRFOG-IBGZPJMESA-N 1 2 468.989 2.983 20 0 JFADLO Cc1ccc(-c2nc3c(ncnc3N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)o2)cc1 ZINC001164828797 720472690 /nfs/dbraw/zinc/47/26/90/720472690.db2.gz AYDVUNLGULWKPO-FQEVSTJZSA-N 1 2 489.580 2.779 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc(Oc3ccc(F)cc3)n1)C2 ZINC001164829817 720474176 /nfs/dbraw/zinc/47/41/76/720474176.db2.gz HCXNPQRQPOOEQG-GOSISDBHSA-N 1 2 468.533 2.594 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncccc1OCc1ccc(F)cc1)C2 ZINC001164833086 720474491 /nfs/dbraw/zinc/47/44/91/720474491.db2.gz YJHZGYLKJMUPOJ-OAQYLSRUSA-N 1 2 481.572 2.986 20 0 JFADLO Cc1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc(-c2ccsc2)n1 ZINC001164829920 720475635 /nfs/dbraw/zinc/47/56/35/720475635.db2.gz HWCRBOMAVNIYCL-LJQANCHMSA-N 1 2 454.600 2.700 20 0 JFADLO CCc1ccc(-c2ccc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nn2)cc1 ZINC001164833122 720475777 /nfs/dbraw/zinc/47/57/77/720475777.db2.gz YPXWUDDESCCQIN-JOCHJYFZSA-N 1 2 462.598 2.892 20 0 JFADLO COc1ccc(Oc2cc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nc(C)n2)cc1 ZINC001164833228 720479531 /nfs/dbraw/zinc/47/95/31/720479531.db2.gz OBTAQFHTEKXPTH-HXUWFJFHSA-N 1 2 494.596 2.772 20 0 JFADLO Cc1cc(-c2cccc(F)c2)nnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164831412 720480505 /nfs/dbraw/zinc/48/05/05/720480505.db2.gz FLWXCDBFNVKZHQ-HXUWFJFHSA-N 1 2 466.561 2.777 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(Cl)(Cl)Oc1ccc(Cl)nc1)C2 ZINC001164835419 720484125 /nfs/dbraw/zinc/48/41/25/720484125.db2.gz XXDMVLZILIARBX-HNNXBMFYSA-N 1 2 490.819 2.884 20 0 JFADLO CS(=O)(=O)c1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)cnc1Cl ZINC001164757230 720984625 /nfs/dbraw/zinc/98/46/25/720984625.db2.gz NGJILLHRKRRJMJ-CQSZACIVSA-N 1 2 460.934 2.943 20 0 JFADLO Cn1cccc1C(=O)N[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@H]2CCCO[C@H]12 ZINC001164764060 721063187 /nfs/dbraw/zinc/06/31/87/721063187.db2.gz ATWREPCPFDSVRI-GIFXNVAJSA-N 1 2 472.593 2.540 20 0 JFADLO Cn1cccc1C(=O)N[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@H]2CCCO[C@H]12 ZINC001164764060 721063192 /nfs/dbraw/zinc/06/31/92/721063192.db2.gz ATWREPCPFDSVRI-GIFXNVAJSA-N 1 2 472.593 2.540 20 0 JFADLO O=C(c1cccnc1N1C[C@H](OCC2CC2)[C@@H]2COC[C@@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC001165015338 721763151 /nfs/dbraw/zinc/76/31/51/721763151.db2.gz OQSSEEBDOIRMJV-DSITVLBTSA-N 1 2 462.594 2.670 20 0 JFADLO COc1cc(C(F)(F)N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cc(Cl)n1 ZINC001164910331 721772084 /nfs/dbraw/zinc/77/20/84/721772084.db2.gz BEBCNQKKMDQVLA-HXUWFJFHSA-N 1 2 454.905 2.791 20 0 JFADLO COc1cc(C(F)(F)N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cc(Cl)n1 ZINC001164910331 721772091 /nfs/dbraw/zinc/77/20/91/721772091.db2.gz BEBCNQKKMDQVLA-HXUWFJFHSA-N 1 2 454.905 2.791 20 0 JFADLO O=C(c1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1)N1CCCCC1 ZINC001164913302 721773656 /nfs/dbraw/zinc/77/36/56/721773656.db2.gz VZMNMQXREQPYFO-RUZDIDTESA-N 1 2 486.016 2.864 20 0 JFADLO O=C(c1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1)N1CCCCC1 ZINC001164913302 721773659 /nfs/dbraw/zinc/77/36/59/721773659.db2.gz VZMNMQXREQPYFO-RUZDIDTESA-N 1 2 486.016 2.864 20 0 JFADLO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913668 721778966 /nfs/dbraw/zinc/77/89/66/721778966.db2.gz ZYDUWRCKYMSKHV-RUZDIDTESA-N 1 2 495.605 2.885 20 0 JFADLO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913668 721778970 /nfs/dbraw/zinc/77/89/70/721778970.db2.gz ZYDUWRCKYMSKHV-RUZDIDTESA-N 1 2 495.605 2.885 20 0 JFADLO CCN(CC)C(=O)c1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164915525 721785649 /nfs/dbraw/zinc/78/56/49/721785649.db2.gz KWBPQUUSFLGSNT-DEOSSOPVSA-N 1 2 474.005 2.720 20 0 JFADLO CCN(CC)C(=O)c1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164915525 721785651 /nfs/dbraw/zinc/78/56/51/721785651.db2.gz KWBPQUUSFLGSNT-DEOSSOPVSA-N 1 2 474.005 2.720 20 0 JFADLO CC(C)(C)NC(=O)c1ccc(Cl)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916039 721786735 /nfs/dbraw/zinc/78/67/35/721786735.db2.gz OEIOGQCWVNPAJZ-XMMPIXPASA-N 1 2 474.005 2.766 20 0 JFADLO CC(C)(C)NC(=O)c1ccc(Cl)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916039 721786743 /nfs/dbraw/zinc/78/67/43/721786743.db2.gz OEIOGQCWVNPAJZ-XMMPIXPASA-N 1 2 474.005 2.766 20 0 JFADLO FC(F)(COc1cccc(Cl)n1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916418 721787867 /nfs/dbraw/zinc/78/78/67/721787867.db2.gz QSAHSTJIEZFWOP-FQEVSTJZSA-N 1 2 454.905 2.705 20 0 JFADLO FC(F)(COc1cccc(Cl)n1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916418 721787868 /nfs/dbraw/zinc/78/78/68/721787868.db2.gz QSAHSTJIEZFWOP-FQEVSTJZSA-N 1 2 454.905 2.705 20 0 JFADLO COc1cccc(Oc2cncc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)c1 ZINC001164917890 721790684 /nfs/dbraw/zinc/79/06/84/721790684.db2.gz ZLCPRJLSIPPDGL-RUZDIDTESA-N 1 2 463.538 2.780 20 0 JFADLO COc1cccc(Oc2cncc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)c1 ZINC001164917890 721790685 /nfs/dbraw/zinc/79/06/85/721790685.db2.gz ZLCPRJLSIPPDGL-RUZDIDTESA-N 1 2 463.538 2.780 20 0 JFADLO O=C(c1cccnc1N1C[C@H]2CN(c3cccnc3)C(=O)[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001165023683 721791239 /nfs/dbraw/zinc/79/12/39/721791239.db2.gz QQWCYXBULGXGSN-WIOPSUGQSA-N 1 2 482.588 2.534 20 0 JFADLO c1ccc2nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c(N3CCCC3)nc2c1 ZINC001164913179 721792980 /nfs/dbraw/zinc/79/29/80/721792980.db2.gz AKCQAZCQQDBRGO-SANMLTNESA-N 1 2 460.582 2.733 20 0 JFADLO c1ccc2nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c(N3CCCC3)nc2c1 ZINC001164913179 721792982 /nfs/dbraw/zinc/79/29/82/721792982.db2.gz AKCQAZCQQDBRGO-SANMLTNESA-N 1 2 460.582 2.733 20 0 JFADLO O=C(c1cccnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2)N1CCc2ccccc21 ZINC001164915279 721793769 /nfs/dbraw/zinc/79/37/69/721793769.db2.gz VJLQGECJPRMHTB-NDEPHWFRSA-N 1 2 485.588 2.787 20 0 JFADLO O=C(c1cccnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2)N1CCc2ccccc21 ZINC001164915279 721793771 /nfs/dbraw/zinc/79/37/71/721793771.db2.gz VJLQGECJPRMHTB-NDEPHWFRSA-N 1 2 485.588 2.787 20 0 JFADLO Cc1nc(C)c(-c2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)s1 ZINC001164913921 721798185 /nfs/dbraw/zinc/79/81/85/721798185.db2.gz IVYKDKYQLSRBPE-QHCPKHFHSA-N 1 2 452.584 2.720 20 0 JFADLO Cc1nc(C)c(-c2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)s1 ZINC001164913921 721798187 /nfs/dbraw/zinc/79/81/87/721798187.db2.gz IVYKDKYQLSRBPE-QHCPKHFHSA-N 1 2 452.584 2.720 20 0 JFADLO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913889 721799711 /nfs/dbraw/zinc/79/97/11/721799711.db2.gz IHGMBNBWATZUOF-NRFANRHFSA-N 1 2 497.930 2.875 20 0 JFADLO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913889 721799714 /nfs/dbraw/zinc/79/97/14/721799714.db2.gz IHGMBNBWATZUOF-NRFANRHFSA-N 1 2 497.930 2.875 20 0 JFADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nccc(Oc3ccc(S(C)(=O)=O)cc3)n2)CC1 ZINC001164918736 721818095 /nfs/dbraw/zinc/81/80/95/721818095.db2.gz SMTUBRZGTHUNJX-UHFFFAOYSA-N 1 2 468.583 2.618 20 0 JFADLO CCCN(CCC)c1cc(N2CCO[C@@]3(C2)COCCN(Cc2csc(C)n2)C3)nc[nH+]1 ZINC001164923016 721830122 /nfs/dbraw/zinc/83/01/22/721830122.db2.gz QJPKQTBGUYVGGK-QHCPKHFHSA-N 1 2 460.648 2.976 20 0 JFADLO CCCN(CCC)c1cc(N2CCO[C@@]3(C2)COCCN(Cc2csc(C)n2)C3)[nH+]cn1 ZINC001164923016 721830124 /nfs/dbraw/zinc/83/01/24/721830124.db2.gz QJPKQTBGUYVGGK-QHCPKHFHSA-N 1 2 460.648 2.976 20 0 JFADLO O=C(C[C@@H]1OC[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC[C@H]21)NC1CCC1 ZINC001164932735 721895338 /nfs/dbraw/zinc/89/53/38/721895338.db2.gz IBIZBYVURJGHJK-LFAGZIFBSA-N 1 2 461.610 2.935 20 0 JFADLO O=C(C[C@@H]1OC[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC[C@H]21)NC1CCC1 ZINC001164932735 721895341 /nfs/dbraw/zinc/89/53/41/721895341.db2.gz IBIZBYVURJGHJK-LFAGZIFBSA-N 1 2 461.610 2.935 20 0 JFADLO Cn1ccc(CN2CCOCC23CCN(c2ncnc4c2C[N@H+](Cc2ccccc2)CC4)CC3)n1 ZINC001164933911 721903292 /nfs/dbraw/zinc/90/32/92/721903292.db2.gz UKKXFZLNOXLSHP-UHFFFAOYSA-N 1 2 473.625 2.640 20 0 JFADLO Cn1ccc(CN2CCOCC23CCN(c2ncnc4c2C[N@@H+](Cc2ccccc2)CC4)CC3)n1 ZINC001164933911 721903294 /nfs/dbraw/zinc/90/32/94/721903294.db2.gz UKKXFZLNOXLSHP-UHFFFAOYSA-N 1 2 473.625 2.640 20 0 JFADLO Cc1noc(C[C@@H]2C[C@H]3CN(c4ncccc4C(=O)N4CC[NH+](Cc5ccccc5)CC4)C[C@H]3O2)n1 ZINC001164963510 722041541 /nfs/dbraw/zinc/04/15/41/722041541.db2.gz ROGOYSZLDIWLEN-WPFOTENUSA-N 1 2 488.592 2.567 20 0 JFADLO Cc1noc(C[C@@H]2C[C@@H]3CN(c4ncccc4C(=O)N4CC[NH+](Cc5ccccc5)CC4)C[C@@H]3O2)n1 ZINC001164963509 722041549 /nfs/dbraw/zinc/04/15/49/722041549.db2.gz ROGOYSZLDIWLEN-GPXNEJASSA-N 1 2 488.592 2.567 20 0 JFADLO O=C(c1ccco1)N1CC[C@H]2CN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001164959255 722047945 /nfs/dbraw/zinc/04/79/45/722047945.db2.gz QKXGAHWGESHVII-UPVQGACJSA-N 1 2 485.588 2.984 20 0 JFADLO O=C(c1ccco1)N1CC[C@@H]2CN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001164959256 722048005 /nfs/dbraw/zinc/04/80/05/722048005.db2.gz QKXGAHWGESHVII-VWNXMTODSA-N 1 2 485.588 2.984 20 0 JFADLO Cc1nc(CN2CCO[C@@H]3CCN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[C@H]32)cs1 ZINC001164986268 722185065 /nfs/dbraw/zinc/18/50/65/722185065.db2.gz DXGKOGDTXVMWOO-NHCUHLMSSA-N 1 2 484.674 2.707 20 0 JFADLO Cc1nc(CN2CCO[C@@H]3CCN(c4nc(N5CCCC5)nc(N5CCCC5)[nH+]4)CC[C@H]32)cs1 ZINC001164986268 722185066 /nfs/dbraw/zinc/18/50/66/722185066.db2.gz DXGKOGDTXVMWOO-NHCUHLMSSA-N 1 2 484.674 2.707 20 0 JFADLO COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)NCCc3[nH+]ccn3C)c2)cc1Cl ZINC001263974214 1059504543 /nfs/dbraw/zinc/50/45/43/1059504543.db2.gz QRSWPDXQKFWVSG-UHFFFAOYSA-N 1 2 492.985 2.888 20 0 JFADLO C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)cc2)C1 ZINC001264302283 1059564331 /nfs/dbraw/zinc/56/43/31/1059564331.db2.gz VGPUJBXMDRTFSC-AUSIDOKSSA-N 1 2 457.596 2.947 20 0 JFADLO C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)cc2)C1 ZINC001264302283 1059564347 /nfs/dbraw/zinc/56/43/47/1059564347.db2.gz VGPUJBXMDRTFSC-AUSIDOKSSA-N 1 2 457.596 2.947 20 0 JFADLO CCOC(=O)N[C@H](Cc1ccccc1)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC001264342072 1059576230 /nfs/dbraw/zinc/57/62/30/1059576230.db2.gz NJICUSWZZHDCGN-JOCHJYFZSA-N 1 2 452.555 2.563 20 0 JFADLO CCc1c(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)nnn1Cc1ccc(F)cc1 ZINC001264359345 1059584782 /nfs/dbraw/zinc/58/47/82/1059584782.db2.gz FJBWHEHNMXSZSU-UHFFFAOYSA-N 1 2 450.518 2.668 20 0 JFADLO O=C(CCCc1ccc(C2CC2)cc1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001264557679 1059612087 /nfs/dbraw/zinc/61/20/87/1059612087.db2.gz NPFNBEBGTLFTAK-UHFFFAOYSA-N 1 2 456.612 2.550 20 0 JFADLO CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)nn2)C1 ZINC001264845855 1059703758 /nfs/dbraw/zinc/70/37/58/1059703758.db2.gz KVMADSNCVWNZLL-LJQANCHMSA-N 1 2 451.531 2.966 20 0 JFADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)Nc1ccnn1C[C@H]1CCOC1)Cc1ccccc1 ZINC001264853381 1059706194 /nfs/dbraw/zinc/70/61/94/1059706194.db2.gz CRINWICUWIWOFU-HXUWFJFHSA-N 1 2 457.575 2.885 20 0 JFADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)Nc1ccnn1C[C@H]1CCOC1)Cc1ccccc1 ZINC001264853381 1059706211 /nfs/dbraw/zinc/70/62/11/1059706211.db2.gz CRINWICUWIWOFU-HXUWFJFHSA-N 1 2 457.575 2.885 20 0 JFADLO CS(=O)(=O)c1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1Br ZINC001264997975 1059748426 /nfs/dbraw/zinc/74/84/26/1059748426.db2.gz AWHMJKWFQZMHQK-UHFFFAOYSA-N 1 2 453.358 2.937 20 0 JFADLO CCCOc1cc(OC)ccc1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001265018871 1059752247 /nfs/dbraw/zinc/75/22/47/1059752247.db2.gz GZGDNXACYLKALO-SFHVURJKSA-N 1 2 455.559 2.509 20 0 JFADLO CCCOc1cc(OC)ccc1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001265018871 1059752266 /nfs/dbraw/zinc/75/22/66/1059752266.db2.gz GZGDNXACYLKALO-SFHVURJKSA-N 1 2 455.559 2.509 20 0 JFADLO Cc1cc(OC(F)F)c(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)s1 ZINC001265019310 1059753446 /nfs/dbraw/zinc/75/34/46/1059753446.db2.gz UBXWCJJMZFWBSY-CQSZACIVSA-N 1 2 453.515 2.683 20 0 JFADLO Cc1cc(OC(F)F)c(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)s1 ZINC001265019310 1059753462 /nfs/dbraw/zinc/75/34/62/1059753462.db2.gz UBXWCJJMZFWBSY-CQSZACIVSA-N 1 2 453.515 2.683 20 0 JFADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC001265309216 1059821820 /nfs/dbraw/zinc/82/18/20/1059821820.db2.gz LVZHIPCJYUAQJG-NRFANRHFSA-N 1 2 457.596 2.867 20 0 JFADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC001265309217 1059821908 /nfs/dbraw/zinc/82/19/08/1059821908.db2.gz LVZHIPCJYUAQJG-OAQYLSRUSA-N 1 2 457.596 2.867 20 0 JFADLO C[C@@H](CO[C@H]1CCOC1)NC(=O)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001266103953 1059963308 /nfs/dbraw/zinc/96/33/08/1059963308.db2.gz BOOUHNALXLMGFW-RXVVDRJESA-N 1 2 458.990 2.981 20 0 JFADLO C[NH+](C)C[C@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)c2ccccc2O1 ZINC001266160949 1059969007 /nfs/dbraw/zinc/96/90/07/1059969007.db2.gz XXIHOOXIPZBJLS-ZDUSSCGKSA-N 1 2 453.358 2.822 20 0 JFADLO CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001286843790 1061124728 /nfs/dbraw/zinc/12/47/28/1061124728.db2.gz HAFPYPUSFWHAMV-NRFANRHFSA-N 1 2 484.645 2.642 20 0 JFADLO CC(=O)N1CCC[C@H](Cn2c(COc3ccc(Cl)cc3)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001286859779 1061225027 /nfs/dbraw/zinc/22/50/27/1061225027.db2.gz KLPVFXDAUHTGMH-FQEVSTJZSA-N 1 2 491.036 2.537 20 0 JFADLO Cc1ccc(-c2nnc(N3CC[NH+]([C@H](C)C(=O)N4CCCC4)CC3)n2CCCOCC(F)F)o1 ZINC001289595355 1061238417 /nfs/dbraw/zinc/23/84/17/1061238417.db2.gz IXFQQOOUJUCBDL-GOSISDBHSA-N 1 2 480.560 2.651 20 0 JFADLO Cc1ccc(-c2nnc(N3CC[NH+]([C@@H](C)C(=O)N4CCCC4)CC3)n2CCCOCC(F)F)o1 ZINC001289595356 1061238462 /nfs/dbraw/zinc/23/84/62/1061238462.db2.gz IXFQQOOUJUCBDL-SFHVURJKSA-N 1 2 480.560 2.651 20 0 JFADLO Cc1ccc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(Cn3cc[nH+]c3)c2)o1 ZINC001289634742 1061268655 /nfs/dbraw/zinc/26/86/55/1061268655.db2.gz JVBCICIGDHLPHF-SFHVURJKSA-N 1 2 483.598 2.719 20 0 JFADLO Cc1ccc(Cn2c(CC(C)C)nnc2N(C)CC[NH+]2CCOCC2)c(O[C@@H]2CCOC2)c1 ZINC001289682942 1061298417 /nfs/dbraw/zinc/29/84/17/1061298417.db2.gz BIPXFPBTEGEUKU-JOCHJYFZSA-N 1 2 457.619 2.769 20 0 JFADLO Cc1ccc(N(C)c2nnc(C(=O)NC(C)C)n2C[C@@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC001289708172 1061318809 /nfs/dbraw/zinc/31/88/09/1061318809.db2.gz SHUMTHYUYKGFPP-QHCPKHFHSA-N 1 2 458.632 2.701 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3ccccc3F)nnc2N(C)CC2CC(F)C2)CC1 ZINC001286888753 1061343642 /nfs/dbraw/zinc/34/36/42/1061343642.db2.gz DKYLKIJEQVWHLE-KKXNLOMOSA-N 1 2 476.572 2.906 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)Cc2ccoc2)CC1 ZINC001286888777 1061343835 /nfs/dbraw/zinc/34/38/35/1061343835.db2.gz FLPPOTPHILMQPM-SFHVURJKSA-N 1 2 470.549 2.951 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001286888798 1061344192 /nfs/dbraw/zinc/34/41/92/1061344192.db2.gz GGNITSLBJIOPMR-MOPGFXCFSA-N 1 2 491.036 2.851 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(N3CCC(O)(Cc4cccc(C)c4)CC3)nnc2C(C)(C)C)CC1 ZINC001286889169 1061345640 /nfs/dbraw/zinc/34/56/40/1061345640.db2.gz FGSIHRYQKIJOBR-UHFFFAOYSA-N 1 2 482.673 2.622 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3ccccc3F)nnc2N(C)CCC(F)(F)F)CC1 ZINC001286889199 1061346309 /nfs/dbraw/zinc/34/63/09/1061346309.db2.gz GEEXFTPOCMFMNN-UHFFFAOYSA-N 1 2 472.487 2.549 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(N(C)CCOc3ccccc3Cl)nnc2C(C)(C)C)CC1 ZINC001286889535 1061349275 /nfs/dbraw/zinc/34/92/75/1061349275.db2.gz KWYZELVMNQKQLW-UHFFFAOYSA-N 1 2 463.026 2.908 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccc3F)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 ZINC001286889723 1061349677 /nfs/dbraw/zinc/34/96/77/1061349677.db2.gz JQULYGQJJIKQPC-AREMUKBSSA-N 1 2 486.636 2.814 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CCC[C@H](c3noc(C(C)C)n3)C2)CC1 ZINC001286889964 1061352937 /nfs/dbraw/zinc/35/29/37/1061352937.db2.gz KWVPCQGAGBQXPI-FQEVSTJZSA-N 1 2 486.665 2.921 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C)c(C)c3)nnc2N2CC=C(C)CC2)CC1 ZINC001286890368 1061354068 /nfs/dbraw/zinc/35/40/68/1061354068.db2.gz QJWCHYOAKOISPK-UHFFFAOYSA-N 1 2 452.603 2.794 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(CCc3ccccc3)nnc2N2CCS[C@H](C)[C@@H]2C)CC1 ZINC001286890510 1061355390 /nfs/dbraw/zinc/35/53/90/1061355390.db2.gz RQRPBQDQAIRPGU-VQTJNVASSA-N 1 2 456.660 2.558 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3cccc(C)c3)nnc2N2CCC[C@@H]2C(C)C)CC1 ZINC001286890624 1061355882 /nfs/dbraw/zinc/35/58/82/1061355882.db2.gz UPELCNICBPBKGA-HSZRJFAPSA-N 1 2 454.619 2.954 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc(Cl)c(F)c2)CC1 ZINC001286891062 1061358821 /nfs/dbraw/zinc/35/88/21/1061358821.db2.gz YZQBMFRDFWWGQB-HXUWFJFHSA-N 1 2 464.973 2.723 20 0 JFADLO Cc1ccc(-c2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2C[C@H](C)[NH+]2CCOCC2)o1 ZINC001289753103 1061374910 /nfs/dbraw/zinc/37/49/10/1061374910.db2.gz JJLDZNFKGZGKFJ-SFHVURJKSA-N 1 2 452.559 2.951 20 0 JFADLO Cc1ccc(OC(F)F)c(Cn2c([C@H]3CCOC3)nnc2N(C)CC[NH+]2CCOCC2)c1 ZINC001289768839 1061389115 /nfs/dbraw/zinc/38/91/15/1061389115.db2.gz UWASAPXNRGZBDF-KRWDZBQOSA-N 1 2 451.518 2.509 20 0 JFADLO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001286905918 1061422386 /nfs/dbraw/zinc/42/23/86/1061422386.db2.gz BMAQWROTOACOIU-HOCLYGCPSA-N 1 2 497.463 2.595 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc1C ZINC001289813720 1061466312 /nfs/dbraw/zinc/46/63/12/1061466312.db2.gz JQBNWAIEENBJAH-DHIUTWEWSA-N 1 2 498.672 2.936 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc1C ZINC001289813722 1061466405 /nfs/dbraw/zinc/46/64/05/1061466405.db2.gz JQBNWAIEENBJAH-PKTZIBPZSA-N 1 2 498.672 2.936 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001289826037 1061501106 /nfs/dbraw/zinc/50/11/06/1061501106.db2.gz PRGWYDCVSWMKHP-LJQANCHMSA-N 1 2 482.551 2.571 20 0 JFADLO Cc1ccc(SCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[N@H+]2CCOC[C@H]2C)cc1 ZINC001289861126 1061543549 /nfs/dbraw/zinc/54/35/49/1061543549.db2.gz PWXCWVJOKMSMBN-LJQANCHMSA-N 1 2 474.675 2.950 20 0 JFADLO Cc1ccc(SCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[N@@H+]2CCOC[C@H]2C)cc1 ZINC001289861126 1061543565 /nfs/dbraw/zinc/54/35/65/1061543565.db2.gz PWXCWVJOKMSMBN-LJQANCHMSA-N 1 2 474.675 2.950 20 0 JFADLO Cc1ccc(SCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CC(C)(C)[NH+]2CCOCC2)cc1 ZINC001289880131 1061566497 /nfs/dbraw/zinc/56/64/97/1061566497.db2.gz ZDHFHXHXHYDNBQ-IBGZPJMESA-N 1 2 472.659 2.657 20 0 JFADLO CCC[C@H]1CN(c2nnc(COc3ccc(OC)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)CCO1 ZINC001294098739 1061578739 /nfs/dbraw/zinc/57/87/39/1061578739.db2.gz JVRVDGRCXVKCQZ-UGKGYDQZSA-N 1 2 459.591 2.592 20 0 JFADLO CCC[C@H]1CN(c2nnc(COc3ccc(OC)cc3)n2CC[N@H+]2CCOC[C@@H]2C)CCO1 ZINC001294098739 1061578762 /nfs/dbraw/zinc/57/87/62/1061578762.db2.gz JVRVDGRCXVKCQZ-UGKGYDQZSA-N 1 2 459.591 2.592 20 0 JFADLO CCCCCC(=O)NC1CCN(c2nnc([C@H]3CCCO3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001294106216 1061587928 /nfs/dbraw/zinc/58/79/28/1061587928.db2.gz FCPGJQVIQCGBTH-OAQYLSRUSA-N 1 2 476.666 2.906 20 0 JFADLO CCCCCC(=O)NC1CCN(c2nnc([C@H]3CCCO3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001294106216 1061587945 /nfs/dbraw/zinc/58/79/45/1061587945.db2.gz FCPGJQVIQCGBTH-OAQYLSRUSA-N 1 2 476.666 2.906 20 0 JFADLO Cc1cccc(C)c1OCCn1c(Cc2cccnc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001289905603 1061593575 /nfs/dbraw/zinc/59/35/75/1061593575.db2.gz MSDJTMXZYUKRBV-UHFFFAOYSA-N 1 2 450.587 2.728 20 0 JFADLO CC(=O)NC[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCCc2cccc(C)[nH+]2)CCO1 ZINC001286944371 1061612754 /nfs/dbraw/zinc/61/27/54/1061612754.db2.gz HETWHWQXCJAJRT-XMMPIXPASA-N 1 2 462.598 2.741 20 0 JFADLO Cc1cccc(-c2nnc(N(C)CCNC(=O)C(C)C)n2C[C@H](c2cccs2)[NH+]2CCOCC2)n1 ZINC001289932560 1061625965 /nfs/dbraw/zinc/62/59/65/1061625965.db2.gz VKWUTYJRDXNYNE-OAQYLSRUSA-N 1 2 497.669 2.992 20 0 JFADLO Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](c3noc(C(C)C)n3)C2)[nH+]1 ZINC001290001940 1061725700 /nfs/dbraw/zinc/72/57/00/1061725700.db2.gz AHJOMMVEYATVJJ-LJQANCHMSA-N 1 2 482.589 2.837 20 0 JFADLO Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2C[C@H](C)O[C@@]3(CCCOC3)C2)[nH+]1 ZINC001290002251 1061726345 /nfs/dbraw/zinc/72/63/45/1061726345.db2.gz DEWMTAXTDIXLLI-CYFREDJKSA-N 1 2 456.591 2.527 20 0 JFADLO Cc1nn(C)c(C)c1CN(C)c1nnc(C(=O)N2CCCC2)n1CCCc1cccc(C)[nH+]1 ZINC001290003341 1061729514 /nfs/dbraw/zinc/72/95/14/1061729514.db2.gz NYZGQTXXAFJOOF-UHFFFAOYSA-N 1 2 450.591 2.837 20 0 JFADLO Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2CCN(CC(F)(F)C(F)F)CC2)[nH+]1 ZINC001290003943 1061729953 /nfs/dbraw/zinc/72/99/53/1061729953.db2.gz VJJYBWMYFQCPJL-UHFFFAOYSA-N 1 2 485.530 2.775 20 0 JFADLO Cc1cccc(CCCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)[nH+]1 ZINC001290003969 1061730345 /nfs/dbraw/zinc/73/03/45/1061730345.db2.gz WFVNKNGXYROICT-OAQYLSRUSA-N 1 2 481.645 2.839 20 0 JFADLO Cc1cccc(CCCn2c([C@H]3COc4ccccc4O3)nnc2N(C)CCCS(C)(=O)=O)[nH+]1 ZINC001290009463 1061733850 /nfs/dbraw/zinc/73/38/50/1061733850.db2.gz MYOWTOHPLMBQTH-JOCHJYFZSA-N 1 2 485.610 2.998 20 0 JFADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CCOCC(F)F)CC1 ZINC001286971933 1061750437 /nfs/dbraw/zinc/75/04/37/1061750437.db2.gz CDXGLZFBBGISFR-OAHLLOKOSA-N 1 2 482.963 2.669 20 0 JFADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC(=O)Nc2ccc(F)cc2)CC1 ZINC001286972344 1061752833 /nfs/dbraw/zinc/75/28/33/1061752833.db2.gz RFPCMHKWJVISJM-IBGZPJMESA-N 1 2 499.635 2.777 20 0 JFADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC(=O)Nc2ccc(F)cc2)CC1 ZINC001286972346 1061752871 /nfs/dbraw/zinc/75/28/71/1061752871.db2.gz RFPCMHKWJVISJM-LJQANCHMSA-N 1 2 499.635 2.777 20 0 JFADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(CC3CCCC3)n2CCOC(C)(C)C)CC1 ZINC001286972688 1061755399 /nfs/dbraw/zinc/75/53/99/1061755399.db2.gz UUSLXYKXTOHSBE-HXUWFJFHSA-N 1 2 460.667 2.959 20 0 JFADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@](C)(O)c2ccsc2)CC1 ZINC001286972937 1061755954 /nfs/dbraw/zinc/75/59/54/1061755954.db2.gz XBAKDYUIKFHWDG-KOSHJBKYSA-N 1 2 474.675 2.678 20 0 JFADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@](C)(O)c2ccsc2)CC1 ZINC001286972938 1061756626 /nfs/dbraw/zinc/75/66/26/1061756626.db2.gz XBAKDYUIKFHWDG-MHECFPHRSA-N 1 2 474.675 2.678 20 0 JFADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC[C@@H]2CCCCO2)CC1 ZINC001286973007 1061757724 /nfs/dbraw/zinc/75/77/24/1061757724.db2.gz YKXUOIAMQLAXDE-SFTDATJTSA-N 1 2 460.667 2.959 20 0 JFADLO C[C@H](C(=O)NC1CCCC1)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001286973865 1061765184 /nfs/dbraw/zinc/76/51/84/1061765184.db2.gz XOIGKQNBFYWEEQ-LJQANCHMSA-N 1 2 482.677 2.654 20 0 JFADLO Cn1cc(NS(=O)(=O)c2ccsc2C(=O)NC2CC[NH+](C3CCCCC3)CC2)cn1 ZINC001294264844 1061765436 /nfs/dbraw/zinc/76/54/36/1061765436.db2.gz IWYJPBOPEQPWKS-UHFFFAOYSA-N 1 2 451.618 2.809 20 0 JFADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001286974131 1061766277 /nfs/dbraw/zinc/76/62/77/1061766277.db2.gz AZLBYKWYGKXSNT-LMMKCTJWSA-N 1 2 476.672 2.886 20 0 JFADLO COC(=O)[C@H](CCC(=O)NCCc1cn2cccc(C)c2[nH+]1)NC(=O)OCc1ccccc1 ZINC001294273307 1061768142 /nfs/dbraw/zinc/76/81/42/1061768142.db2.gz HBXDYGWDAOIYKD-FQEVSTJZSA-N 1 2 452.511 2.550 20 0 JFADLO Cc1cccc(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2Cc2nccc(C(F)F)n2)c1 ZINC001290054351 1061774195 /nfs/dbraw/zinc/77/41/95/1061774195.db2.gz DHRXNLOGPJWGIX-UHFFFAOYSA-N 1 2 473.528 2.710 20 0 JFADLO CCCCn1c(CCOc2ccccc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001294286228 1061774356 /nfs/dbraw/zinc/77/43/56/1061774356.db2.gz AKZRPNKZJAZMIC-NRFANRHFSA-N 1 2 454.619 2.833 20 0 JFADLO O=C(c1cc(C(F)(F)F)ncn1)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC001294293164 1061778053 /nfs/dbraw/zinc/77/80/53/1061778053.db2.gz SQOLQFGEFTZXOO-UHFFFAOYSA-N 1 2 452.462 2.998 20 0 JFADLO Cc1cccc(OCc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CC[N@H+]2CC=CCC2)c1 ZINC001290069186 1061793074 /nfs/dbraw/zinc/79/30/74/1061793074.db2.gz ARVCGLKMSBKLSV-QFIPXVFZSA-N 1 2 473.643 2.831 20 0 JFADLO Cc1cccc(OCc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CC[N@@H+]2CC=CCC2)c1 ZINC001290069186 1061793092 /nfs/dbraw/zinc/79/30/92/1061793092.db2.gz ARVCGLKMSBKLSV-QFIPXVFZSA-N 1 2 473.643 2.831 20 0 JFADLO Cc1cccc(OCCn2c(C(C)C)nnc2N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)c1 ZINC001290080739 1061810665 /nfs/dbraw/zinc/81/06/65/1061810665.db2.gz OJLLMNKZYRABIR-NRFANRHFSA-N 1 2 454.619 2.922 20 0 JFADLO Cc1ccccc1-c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CC[S@@](=O)C(C)(C)C ZINC001290117675 1061845349 /nfs/dbraw/zinc/84/53/49/1061845349.db2.gz QAQUKQXKZJSZMD-MQFAKOPTSA-N 1 2 459.660 2.959 20 0 JFADLO CC(C)(C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001286999901 1061913648 /nfs/dbraw/zinc/91/36/48/1061913648.db2.gz SPXNXKJVJQGULN-UHFFFAOYSA-N 1 2 485.658 2.634 20 0 JFADLO CC(C)OCC[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)CC1 ZINC001294397741 1061967250 /nfs/dbraw/zinc/96/72/50/1061967250.db2.gz PCLYNOHQNZSCMQ-BGYRXZFFSA-N 1 2 451.633 2.536 20 0 JFADLO CC(C)(C)OC(=O)NCCN(CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C(=O)OC(C)(C)C ZINC001294413561 1061978418 /nfs/dbraw/zinc/97/84/18/1061978418.db2.gz PXIMZONQMVVKDV-UHFFFAOYSA-N 1 2 451.568 2.878 20 0 JFADLO CC(C)(C)OC(=O)NCCN(CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C(=O)OC(C)(C)C ZINC001294413561 1061978435 /nfs/dbraw/zinc/97/84/35/1061978435.db2.gz PXIMZONQMVVKDV-UHFFFAOYSA-N 1 2 451.568 2.878 20 0 JFADLO Cc1cnn(CCn2c(-c3ccccc3Br)nnc2N(C)CC[NH+]2CCOCC2)c1 ZINC001290280416 1062010339 /nfs/dbraw/zinc/01/03/39/1062010339.db2.gz YRKWUPOMQAVCDO-UHFFFAOYSA-N 1 2 474.407 2.681 20 0 JFADLO Cc1cn2c([nH+]1)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCc1cccs1)CCC2 ZINC001290286905 1062015640 /nfs/dbraw/zinc/01/56/40/1062015640.db2.gz FJVYVVHOTKMBEW-DLBZAZTESA-N 1 2 477.660 2.711 20 0 JFADLO CC(C)(C)[NH+]1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001287043560 1062015919 /nfs/dbraw/zinc/01/59/19/1062015919.db2.gz HRGWEWHYUWRXHH-NRFANRHFSA-N 1 2 459.660 2.809 20 0 JFADLO Cc1cn2c([nH+]1)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1ccco1)CCC2 ZINC001290287332 1062017457 /nfs/dbraw/zinc/01/74/57/1062017457.db2.gz LLFCLYVONUVWPN-ZACQAIPSSA-N 1 2 461.592 2.761 20 0 JFADLO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1=NN(c2ccc(F)cc2)C(=O)CC1=O ZINC001290340633 1062057443 /nfs/dbraw/zinc/05/74/43/1062057443.db2.gz BXCNVDPISBJWBS-UHFFFAOYSA-N 1 2 456.905 2.922 20 0 JFADLO CC(C)(C)OC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CCCNc2cccc[nH+]2)CC1 ZINC001287054771 1062067428 /nfs/dbraw/zinc/06/74/28/1062067428.db2.gz IPHWCACQFRFWMP-SFHVURJKSA-N 1 2 457.579 2.736 20 0 JFADLO CCCN(CC1CC1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001294548773 1062074720 /nfs/dbraw/zinc/07/47/20/1062074720.db2.gz SMQMHXLFXBBNGO-PZJWPPBQSA-N 1 2 492.665 2.934 20 0 JFADLO CCCN(CC1CC1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001294548773 1062074742 /nfs/dbraw/zinc/07/47/42/1062074742.db2.gz SMQMHXLFXBBNGO-PZJWPPBQSA-N 1 2 492.665 2.934 20 0 JFADLO CCCN(CCc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001294580344 1062091313 /nfs/dbraw/zinc/09/13/13/1062091313.db2.gz PHQUWVDZOPBYTC-IBGZPJMESA-N 1 2 463.673 2.963 20 0 JFADLO CCCN(CCc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CC=CCC1 ZINC001294580344 1062091332 /nfs/dbraw/zinc/09/13/32/1062091332.db2.gz PHQUWVDZOPBYTC-IBGZPJMESA-N 1 2 463.673 2.963 20 0 JFADLO Cc1nc(Cc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@H](c2ccsc2)[NH+](C)C)cs1 ZINC001290420891 1062156233 /nfs/dbraw/zinc/15/62/33/1062156233.db2.gz GKEVFOCHBWMQLD-ZWKOTPCHSA-N 1 2 480.685 2.622 20 0 JFADLO Cc1nc(Cc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CC[S@](=O)C(C)(C)C)cs1 ZINC001290435253 1062203976 /nfs/dbraw/zinc/20/39/76/1062203976.db2.gz LCBHOMXCOOWYBB-YTTGMZPUSA-N 1 2 482.720 2.728 20 0 JFADLO Cc1nc(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)n[nH]1 ZINC001290447674 1062222186 /nfs/dbraw/zinc/22/21/86/1062222186.db2.gz KOQZIYSADKBVMV-QGZVFWFLSA-N 1 2 486.596 2.773 20 0 JFADLO Cc1nc(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)n[nH]1 ZINC001290447674 1062222212 /nfs/dbraw/zinc/22/22/12/1062222212.db2.gz KOQZIYSADKBVMV-QGZVFWFLSA-N 1 2 486.596 2.773 20 0 JFADLO Cc1n[nH]c(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC001290447674 1062222238 /nfs/dbraw/zinc/22/22/38/1062222238.db2.gz KOQZIYSADKBVMV-QGZVFWFLSA-N 1 2 486.596 2.773 20 0 JFADLO Cc1n[nH]c(CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)n1 ZINC001290447674 1062222264 /nfs/dbraw/zinc/22/22/64/1062222264.db2.gz KOQZIYSADKBVMV-QGZVFWFLSA-N 1 2 486.596 2.773 20 0 JFADLO CC(C)(C)S(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001287084478 1062251583 /nfs/dbraw/zinc/25/15/83/1062251583.db2.gz QEQZANXOPYZCAE-SFHVURJKSA-N 1 2 479.622 2.884 20 0 JFADLO CC(C)(C)S(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001287084478 1062251602 /nfs/dbraw/zinc/25/16/02/1062251602.db2.gz QEQZANXOPYZCAE-SFHVURJKSA-N 1 2 479.622 2.884 20 0 JFADLO CC(C)(C)[S@](=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001287084765 1062254325 /nfs/dbraw/zinc/25/43/25/1062254325.db2.gz APXJDFLSCDANAI-YZPAVYQISA-N 1 2 489.686 2.923 20 0 JFADLO Cc1cccc(O[C@H](C)c2nnc(N3CCN(c4cc[nH+]c(C)n4)CC3)n2CC(=O)NC(C)C)c1C ZINC001290496117 1062284623 /nfs/dbraw/zinc/28/46/23/1062284623.db2.gz FYOBEFPCBSPXES-HXUWFJFHSA-N 1 2 492.628 2.985 20 0 JFADLO Cc1nc(N2CCN(c3nnc(C(C)(C)C)n3Cc3cccc(OCC(=O)N(C)C)c3)CC2)cc[nH+]1 ZINC001290496722 1062285910 /nfs/dbraw/zinc/28/59/10/1062285910.db2.gz QNWIWCJIDXLHGU-UHFFFAOYSA-N 1 2 492.628 2.516 20 0 JFADLO Cc1ncc(CN2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](C)[NH+]3CCOCC3)CC2)s1 ZINC001290496752 1062286610 /nfs/dbraw/zinc/28/66/10/1062286610.db2.gz RUXZWOGGDNZEJA-GOSISDBHSA-N 1 2 461.680 2.675 20 0 JFADLO Cc1nc(N2CCN(c3nnc([C@@H](C)Oc4cccc(Cl)c4)n3CCC(=O)N(C)C)CC2)cc[nH+]1 ZINC001290496739 1062286907 /nfs/dbraw/zinc/28/69/07/1062286907.db2.gz RMTDYDROKACJIM-QGZVFWFLSA-N 1 2 499.019 2.975 20 0 JFADLO Cc1nc(N2CCN(c3nnc(CC(C)(C)C)n3CCCOC[C@H]3CCCO3)CC2)cc[nH+]1 ZINC001290500998 1062292612 /nfs/dbraw/zinc/29/26/12/1062292612.db2.gz HIFIBVYYBKQOPW-HXUWFJFHSA-N 1 2 457.623 2.877 20 0 JFADLO CCCN1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCOC[C@@H]2C)CC1=O ZINC001294723649 1062302671 /nfs/dbraw/zinc/30/26/71/1062302671.db2.gz ZTIBLVJEGHKLJB-PMACEKPBSA-N 1 2 488.608 2.727 20 0 JFADLO CCCN1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@H+]2CCOC[C@@H]2C)CC1=O ZINC001294723649 1062302697 /nfs/dbraw/zinc/30/26/97/1062302697.db2.gz ZTIBLVJEGHKLJB-PMACEKPBSA-N 1 2 488.608 2.727 20 0 JFADLO CCCN1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(N(CC)CC)[nH+]c2)CC1=O ZINC001294734582 1062318804 /nfs/dbraw/zinc/31/88/04/1062318804.db2.gz XFAAHDASYFXZAB-HXUWFJFHSA-N 1 2 455.607 2.520 20 0 JFADLO CCCN1CCCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(N(C)C)[nH+]c2)CC1=O ZINC001294739028 1062322493 /nfs/dbraw/zinc/32/24/93/1062322493.db2.gz CUIWQPYIIQRKON-UHFFFAOYSA-N 1 2 477.613 2.858 20 0 JFADLO Cc1nccnc1CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001290530556 1062332853 /nfs/dbraw/zinc/33/28/53/1062332853.db2.gz SJUICIFBPMIAOR-LJQANCHMSA-N 1 2 469.565 2.667 20 0 JFADLO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(CCCc3ccccc3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001287119391 1062359008 /nfs/dbraw/zinc/35/90/08/1062359008.db2.gz JOALAFNKLGIIAL-ISKFKSNPSA-N 1 2 482.673 2.915 20 0 JFADLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC001290570669 1062373288 /nfs/dbraw/zinc/37/32/88/1062373288.db2.gz HYSYXMLAYQYQEQ-HNNXBMFYSA-N 1 2 450.870 2.563 20 0 JFADLO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001287126525 1062392335 /nfs/dbraw/zinc/39/23/35/1062392335.db2.gz ULKHFXHTSXMFFE-FPOVZHCZSA-N 1 2 469.634 2.670 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)c(F)c3)n2C[C@H](C)[NH+]2CCOCC2)n1 ZINC001290599542 1062429184 /nfs/dbraw/zinc/42/91/84/1062429184.db2.gz VTYZFTSHILHRER-SFHVURJKSA-N 1 2 459.545 2.775 20 0 JFADLO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCNc2cccc[nH+]2)CC1 ZINC001287152894 1062527998 /nfs/dbraw/zinc/52/79/98/1062527998.db2.gz KKPIMPIQAZVPHJ-IBGZPJMESA-N 1 2 479.633 2.953 20 0 JFADLO CCCNC(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001294851206 1062551686 /nfs/dbraw/zinc/55/16/86/1062551686.db2.gz IEHPLYMFJSBIER-UHFFFAOYSA-N 1 2 468.631 2.652 20 0 JFADLO CC(C)c1csc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)(C)C)CC2)n1 ZINC001287169796 1062584535 /nfs/dbraw/zinc/58/45/35/1062584535.db2.gz ODMRKVZJXSVSGF-MRXNPFEDSA-N 1 2 466.677 2.729 20 0 JFADLO CCCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001294875998 1062587465 /nfs/dbraw/zinc/58/74/65/1062587465.db2.gz KZLPYXPKXUWSJK-FQEVSTJZSA-N 1 2 492.628 2.986 20 0 JFADLO CC(C)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001287199594 1062636210 /nfs/dbraw/zinc/63/62/10/1062636210.db2.gz XHBLTPQPNZLIAT-UHFFFAOYSA-N 1 2 475.594 2.635 20 0 JFADLO Cc1nnc(N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001290701622 1062637281 /nfs/dbraw/zinc/63/72/81/1062637281.db2.gz IBPBQTUCABZYMA-UJQZNKFNSA-N 1 2 454.600 2.801 20 0 JFADLO Cc1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1Cc1ccc(NC(N)=O)cc1 ZINC001290713793 1062645133 /nfs/dbraw/zinc/64/51/33/1062645133.db2.gz QBAPRUSMWPXNRP-IBGZPJMESA-N 1 2 455.588 2.697 20 0 JFADLO Cc1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001290714072 1062646322 /nfs/dbraw/zinc/64/63/22/1062646322.db2.gz SSRGTIYARYLEQA-RBUKOAKNSA-N 1 2 484.617 2.514 20 0 JFADLO Cc1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1CC[C@H](C(F)F)N1CCOCC1 ZINC001290714073 1062646463 /nfs/dbraw/zinc/64/64/63/1062646463.db2.gz SSRGTIYARYLEQA-RTBURBONSA-N 1 2 484.617 2.514 20 0 JFADLO CC(C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@](C)(O)c1cccs1 ZINC001287215658 1062686149 /nfs/dbraw/zinc/68/61/49/1062686149.db2.gz IKLUZWTYZUESNB-WZONZLPQSA-N 1 2 460.648 2.504 20 0 JFADLO CC(C)c1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1CCCNc1cccc[nH+]1 ZINC001287216458 1062692592 /nfs/dbraw/zinc/69/25/92/1062692592.db2.gz QEQRMOYFVSEIHS-JOCHJYFZSA-N 1 2 462.602 2.647 20 0 JFADLO CC(C)c1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1CCCNc1cccc[nH+]1 ZINC001287216459 1062692678 /nfs/dbraw/zinc/69/26/78/1062692678.db2.gz QEQRMOYFVSEIHS-QFIPXVFZSA-N 1 2 462.602 2.647 20 0 JFADLO CC(C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCOc1ccc(F)c(F)c1 ZINC001287222747 1062709367 /nfs/dbraw/zinc/70/93/67/1062709367.db2.gz JDJRMIWIHARZCA-NRFANRHFSA-N 1 2 492.615 2.990 20 0 JFADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc(NC(=O)[C@@H](C)n2cccn2)c1 ZINC001290811813 1062711626 /nfs/dbraw/zinc/71/16/26/1062711626.db2.gz RIAQZITZLJPITA-OXQOHEQNSA-N 1 2 451.531 2.518 20 0 JFADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(NC(=O)[C@@H](C)n2cccn2)c1 ZINC001290811813 1062711648 /nfs/dbraw/zinc/71/16/48/1062711648.db2.gz RIAQZITZLJPITA-OXQOHEQNSA-N 1 2 451.531 2.518 20 0 JFADLO Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001290824235 1062718534 /nfs/dbraw/zinc/71/85/34/1062718534.db2.gz NWJGABSBVAGRAR-OAQYLSRUSA-N 1 2 485.633 2.950 20 0 JFADLO Cc1nnc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001290856306 1062739320 /nfs/dbraw/zinc/73/93/20/1062739320.db2.gz DZDPOOPWRMIKSZ-HTAPYJJXSA-N 1 2 489.615 2.737 20 0 JFADLO Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCc1ccccc1OC(F)F ZINC001290858941 1062742674 /nfs/dbraw/zinc/74/26/74/1062742674.db2.gz XRBVZKZUJQOXRK-QGZVFWFLSA-N 1 2 462.545 2.564 20 0 JFADLO CCCOc1ncccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001294975171 1062759559 /nfs/dbraw/zinc/75/95/59/1062759559.db2.gz XFYYDCZSOORMMF-UHFFFAOYSA-N 1 2 498.657 2.736 20 0 JFADLO Cc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1Cc1nc(C(C)(C)C)cs1 ZINC001290877424 1062762173 /nfs/dbraw/zinc/76/21/73/1062762173.db2.gz WBPYEOGDKMFRGC-LJQANCHMSA-N 1 2 461.680 2.620 20 0 JFADLO CCCO[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2c2cc(NC)[nH+]cn2)CC1 ZINC001294986623 1062774364 /nfs/dbraw/zinc/77/43/64/1062774364.db2.gz IAVVIEXOUWNRFZ-WOJBJXKFSA-N 1 2 499.664 2.703 20 0 JFADLO CCCO[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2c2cc(NC)nc[nH+]2)CC1 ZINC001294986623 1062774387 /nfs/dbraw/zinc/77/43/87/1062774387.db2.gz IAVVIEXOUWNRFZ-WOJBJXKFSA-N 1 2 499.664 2.703 20 0 JFADLO CCCOCc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001295011235 1062800178 /nfs/dbraw/zinc/80/01/78/1062800178.db2.gz SGGNNRJHQCHBLS-QFIPXVFZSA-N 1 2 475.659 2.686 20 0 JFADLO CCCOCc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001295011234 1062800277 /nfs/dbraw/zinc/80/02/77/1062800277.db2.gz SGGNNRJHQCHBLS-JOCHJYFZSA-N 1 2 475.659 2.686 20 0 JFADLO CCCS(=O)(=O)NC1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001295013233 1062801230 /nfs/dbraw/zinc/80/12/30/1062801230.db2.gz BJCGBHCHJNJBCE-KRWDZBQOSA-N 1 2 463.652 2.599 20 0 JFADLO CC(C)Cc1nnc(N(C)C[C@H](c2cccs2)N2CCOCC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001287359425 1062828736 /nfs/dbraw/zinc/82/87/36/1062828736.db2.gz FKCBRQNWLLRQLL-NHCUHLMSSA-N 1 2 476.691 2.769 20 0 JFADLO CC(C)Cc1nnc(N(C)C[C@H](c2cccs2)N2CCOCC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001287359425 1062828764 /nfs/dbraw/zinc/82/87/64/1062828764.db2.gz FKCBRQNWLLRQLL-NHCUHLMSSA-N 1 2 476.691 2.769 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc(COc4ccc(C)c(C)c4)n3CCNC(=O)C(C)C)CC2)on1 ZINC001290969623 1062842523 /nfs/dbraw/zinc/84/25/23/1062842523.db2.gz HTBCSIWSIRMXLM-UHFFFAOYSA-N 1 2 495.628 2.865 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc([C@H]4COCCN4C(=O)OC(C)(C)C)n3CC(C)C)CC2)on1 ZINC001290969809 1062843346 /nfs/dbraw/zinc/84/33/46/1062843346.db2.gz KMMMCJVDOKQNIX-HXUWFJFHSA-N 1 2 489.621 2.861 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc(C(C)C)n3CC(=O)N(C)Cc3ccccc3)CC2)on1 ZINC001290970050 1062843941 /nfs/dbraw/zinc/84/39/41/1062843941.db2.gz OTEPNCZFQZWGPL-UHFFFAOYSA-N 1 2 451.575 2.679 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc(Cc4ccncc4)n3CCCN(C)CC(F)(F)F)CC2)on1 ZINC001290970439 1062844838 /nfs/dbraw/zinc/84/48/38/1062844838.db2.gz RIFFZZMUIXQEQC-UHFFFAOYSA-N 1 2 492.550 2.767 20 0 JFADLO CC[C@H](C)NC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)cc1 ZINC001290970681 1062846192 /nfs/dbraw/zinc/84/61/92/1062846192.db2.gz DZROXKOQXKUUCP-JTSKRJEESA-N 1 2 453.587 2.862 20 0 JFADLO CC[C@H](C)NC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)cc1 ZINC001290970681 1062846198 /nfs/dbraw/zinc/84/61/98/1062846198.db2.gz DZROXKOQXKUUCP-JTSKRJEESA-N 1 2 453.587 2.862 20 0 JFADLO CC(C)Cc1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001287442059 1062874847 /nfs/dbraw/zinc/87/48/47/1062874847.db2.gz BHLLFKVRWIXRRS-IBGZPJMESA-N 1 2 489.621 2.615 20 0 JFADLO CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001287442374 1062876685 /nfs/dbraw/zinc/87/66/85/1062876685.db2.gz HXRKDNBQHQCLHL-WOJBJXKFSA-N 1 2 464.655 2.938 20 0 JFADLO CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001287442374 1062876700 /nfs/dbraw/zinc/87/67/00/1062876700.db2.gz HXRKDNBQHQCLHL-WOJBJXKFSA-N 1 2 464.655 2.938 20 0 JFADLO CCN(C)C(=O)Cn1c(-c2ccccn2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001295068234 1062887946 /nfs/dbraw/zinc/88/79/46/1062887946.db2.gz SFXFNAVMHJWTHV-UHFFFAOYSA-N 1 2 453.978 2.794 20 0 JFADLO CC(C)Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H]1CCO[C@@H]1C(C)C ZINC001287465523 1062912004 /nfs/dbraw/zinc/91/20/04/1062912004.db2.gz MFFIZBHHUZFFAT-FUPPJEDESA-N 1 2 460.667 2.671 20 0 JFADLO CC(C)Cc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCn1cc(Br)cn1 ZINC001287472209 1062922789 /nfs/dbraw/zinc/92/27/89/1062922789.db2.gz ZALSAWSXVFWNKV-UHFFFAOYSA-N 1 2 459.396 2.857 20 0 JFADLO CC(C)Cc1nnc(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)n1CCCNc1cccc[nH+]1 ZINC001287486242 1062942627 /nfs/dbraw/zinc/94/26/27/1062942627.db2.gz JIDWVCQQSVSZJS-HXUWFJFHSA-N 1 2 454.623 2.956 20 0 JFADLO CC(C)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC001287511103 1062957125 /nfs/dbraw/zinc/95/71/25/1062957125.db2.gz CPKDZXAOSNOZSE-LJQANCHMSA-N 1 2 455.607 2.569 20 0 JFADLO CC(C)CC[C@@](C)(O)Cn1c(-c2ccccc2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001287534084 1062969796 /nfs/dbraw/zinc/96/97/96/1062969796.db2.gz XFAUHHQBFBOJDF-RXFWQSSRSA-N 1 2 468.646 2.921 20 0 JFADLO C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)C1=O ZINC001295168334 1062991415 /nfs/dbraw/zinc/99/14/15/1062991415.db2.gz GGXMKIQAZDVGAQ-XMMPIXPASA-N 1 2 453.518 2.685 20 0 JFADLO CCN(c1nnc(Cc2ccc(F)cc2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295226179 1063045543 /nfs/dbraw/zinc/04/55/43/1063045543.db2.gz KQJWNQZQHWHBRL-CNNODRBYSA-N 1 2 493.649 2.521 20 0 JFADLO CCN(c1nnc(Cc2ccc(F)cc2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295226182 1063045781 /nfs/dbraw/zinc/04/57/81/1063045781.db2.gz KQJWNQZQHWHBRL-XQBPLPMBSA-N 1 2 493.649 2.521 20 0 JFADLO CCN(c1nnc(Cc2ccc(F)cc2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295226182 1063045808 /nfs/dbraw/zinc/04/58/08/1063045808.db2.gz KQJWNQZQHWHBRL-XQBPLPMBSA-N 1 2 493.649 2.521 20 0 JFADLO C[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC001291093653 1063051795 /nfs/dbraw/zinc/05/17/95/1063051795.db2.gz BWBAZTXRXOKRSP-NJDAHSKKSA-N 1 2 492.665 2.934 20 0 JFADLO Cc1nc([C@@H](C)NC(=O)[C@H](Cc2cn(Cc3ccccc3)c[nH+]2)NC(=O)OC(C)(C)C)no1 ZINC001295243112 1063062645 /nfs/dbraw/zinc/06/26/45/1063062645.db2.gz FRMCOPKVCZAFKR-BEFAXECRSA-N 1 2 454.531 2.936 20 0 JFADLO CC(C)C[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)c(Cl)c2)CC1 ZINC001287771523 1063099239 /nfs/dbraw/zinc/09/92/39/1063099239.db2.gz VEEZKPMWTHQJEV-KRWDZBQOSA-N 1 2 470.014 2.799 20 0 JFADLO CC(C)NC(=O)c1nnc(N2CCC[C@H](C)CC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001291109250 1063104220 /nfs/dbraw/zinc/10/42/20/1063104220.db2.gz IXGVVOLFRAKRHU-RBUKOAKNSA-N 1 2 455.607 2.711 20 0 JFADLO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(-c2ccc(C)o2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001295291735 1063136885 /nfs/dbraw/zinc/13/68/85/1063136885.db2.gz GCYXYDZLRFPBSO-QHCPKHFHSA-N 1 2 480.613 2.879 20 0 JFADLO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(C)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001295292118 1063137898 /nfs/dbraw/zinc/13/78/98/1063137898.db2.gz JRTNTCKIWATONV-NHCUHLMSSA-N 1 2 450.591 2.956 20 0 JFADLO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(C)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001295292118 1063137908 /nfs/dbraw/zinc/13/79/08/1063137908.db2.gz JRTNTCKIWATONV-NHCUHLMSSA-N 1 2 450.591 2.956 20 0 JFADLO C[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001291164281 1063248693 /nfs/dbraw/zinc/24/86/93/1063248693.db2.gz SLJVWCIOVLOINX-AQNXPRMDSA-N 1 2 462.639 2.960 20 0 JFADLO C[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001291164281 1063248717 /nfs/dbraw/zinc/24/87/17/1063248717.db2.gz SLJVWCIOVLOINX-AQNXPRMDSA-N 1 2 462.639 2.960 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccn3)n2CCc2ccc(OC)c(F)c2)CC1 ZINC001295335630 1063254319 /nfs/dbraw/zinc/25/43/19/1063254319.db2.gz DGMBKYCPURJMOT-UHFFFAOYSA-N 1 2 495.603 2.721 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCSC2)CC1 ZINC001295336208 1063257150 /nfs/dbraw/zinc/25/71/50/1063257150.db2.gz NZYOJNPIAXODAR-HXUWFJFHSA-N 1 2 456.660 2.997 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(COC)cc2)CC1 ZINC001295336458 1063258134 /nfs/dbraw/zinc/25/81/34/1063258134.db2.gz QQMAXJDUYPJUGO-UHFFFAOYSA-N 1 2 477.613 2.525 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccn3)n2Cc2nc(C(C)C)cs2)CC1 ZINC001295336640 1063259652 /nfs/dbraw/zinc/25/96/52/1063259652.db2.gz UDSRDLBUGSPUFV-UHFFFAOYSA-N 1 2 482.658 2.959 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3)n2CC[C@@H]2CCCCO2)CC1 ZINC001295336686 1063260202 /nfs/dbraw/zinc/26/02/02/1063260202.db2.gz VXFSRIHAGBOHIW-QFIPXVFZSA-N 1 2 454.619 2.895 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(C)CCCO2)CC1 ZINC001295336875 1063261150 /nfs/dbraw/zinc/26/11/50/1063261150.db2.gz ZKGHEJGKHQBYOJ-QHCPKHFHSA-N 1 2 476.025 2.553 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2cccnc2)C(C)C)CC1 ZINC001295337098 1063261681 /nfs/dbraw/zinc/26/16/81/1063261681.db2.gz AZGZRSKTXDLARC-QFIPXVFZSA-N 1 2 491.644 2.560 20 0 JFADLO C[C@@H]1CN(c2ccc(Cn3c(C(=O)N4CCCC4)nnc3N(C)CC(C)(C)C)c[nH+]2)CCO1 ZINC001291195028 1063332090 /nfs/dbraw/zinc/33/20/90/1063332090.db2.gz IRJJPTYCKZBGFK-GOSISDBHSA-N 1 2 455.607 2.665 20 0 JFADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001291195402 1063333166 /nfs/dbraw/zinc/33/31/66/1063333166.db2.gz QMNHLGYKZJBWIA-MOPGFXCFSA-N 1 2 490.674 2.549 20 0 JFADLO CC[NH+](CC)[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1)c1ccco1 ZINC001295404166 1063389695 /nfs/dbraw/zinc/38/96/95/1063389695.db2.gz IDBBMFNOAKJTGJ-FQEVSTJZSA-N 1 2 491.589 2.907 20 0 JFADLO CC[NH+](CC)[C@H](Cn1c(Cc2cccnc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccco1 ZINC001295407716 1063401200 /nfs/dbraw/zinc/40/12/00/1063401200.db2.gz XSIYYTSJRRCWEI-WOJBJXKFSA-N 1 2 472.615 2.563 20 0 JFADLO CCN(CC)c1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC=C(COC)CC2)c[nH+]1 ZINC001295410839 1063405332 /nfs/dbraw/zinc/40/53/32/1063405332.db2.gz NIBKXMWPJRKIHN-UHFFFAOYSA-N 1 2 476.585 2.998 20 0 JFADLO CCN(CC)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H]([C@H]3CCOC3)C2)c[nH+]1 ZINC001295411164 1063406810 /nfs/dbraw/zinc/40/68/10/1063406810.db2.gz RCEDCJUDGOPJLE-PMACEKPBSA-N 1 2 455.607 2.569 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCS[C@H](C(C)C)C2)c[nH+]1 ZINC001295411592 1063408915 /nfs/dbraw/zinc/40/89/15/1063408915.db2.gz VJFJMDHOIRWMRE-MJGOQNOKSA-N 1 2 495.719 2.756 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCNC(=O)C2)c[nH+]1 ZINC001295411624 1063409072 /nfs/dbraw/zinc/40/90/72/1063409072.db2.gz VZBWSMXYODDDTI-KRWDZBQOSA-N 1 2 467.549 2.783 20 0 JFADLO CCN(CC)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C)O[C@@H](C3CC3)C2)c[nH+]1 ZINC001295411818 1063410091 /nfs/dbraw/zinc/41/00/91/1063410091.db2.gz WUAJLTWECVINSL-YLJYHZDGSA-N 1 2 455.607 2.710 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC(S(C)(=O)=O)CC2)c[nH+]1 ZINC001295413956 1063414422 /nfs/dbraw/zinc/41/44/22/1063414422.db2.gz CXWZCMWOMMBSIY-FQEVSTJZSA-N 1 2 476.647 2.823 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C(F)(F)F)C2)c[nH+]1 ZINC001295415001 1063419182 /nfs/dbraw/zinc/41/91/82/1063419182.db2.gz MHGIJYQYAPMKBL-QGZVFWFLSA-N 1 2 462.480 2.792 20 0 JFADLO CCN(CC)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@@H](C)OC(C)(C)C2)c[nH+]1 ZINC001295417986 1063422665 /nfs/dbraw/zinc/42/26/65/1063422665.db2.gz BOTCQZQHWWCYHD-GOSISDBHSA-N 1 2 455.607 2.694 20 0 JFADLO CCN(CC)c1ccc(Cn2c(Cc3ccccc3F)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)c[nH+]1 ZINC001295418180 1063423811 /nfs/dbraw/zinc/42/38/11/1063423811.db2.gz BOJLVAKCLMFEBO-IFMALSPDSA-N 1 2 496.587 2.658 20 0 JFADLO CCN(CC)c1ccc(Cn2c(COc3ccc(F)cc3)nnc2N2CCN(C(=O)NC)CC2)c[nH+]1 ZINC001295418310 1063424817 /nfs/dbraw/zinc/42/48/17/1063424817.db2.gz FVXASAKMAIZUSE-UHFFFAOYSA-N 1 2 496.591 2.747 20 0 JFADLO CCN(CC)c1ccc(Cn2c(Cc3ccsc3)nnc2N2CCN(C)C(=O)[C@H]2C)c[nH+]1 ZINC001295419084 1063428244 /nfs/dbraw/zinc/42/82/44/1063428244.db2.gz MTDWKGZFJYLVGA-QGZVFWFLSA-N 1 2 453.616 2.887 20 0 JFADLO CCN(CC)c1ccc(Cn2c(Cc3ccsc3)nnc2N2CCC[C@H](C(N)=O)C2)c[nH+]1 ZINC001295419378 1063428394 /nfs/dbraw/zinc/42/83/94/1063428394.db2.gz OLCXEUITFJHKII-IBGZPJMESA-N 1 2 453.616 2.922 20 0 JFADLO CCN(CC)c1ccc(Cn2c(COc3ccccc3F)nnc2N2CCN(C)C(=O)[C@@H]2C)c[nH+]1 ZINC001295419759 1063429347 /nfs/dbraw/zinc/42/93/47/1063429347.db2.gz RVEBTVFKCIVBAG-SFHVURJKSA-N 1 2 481.576 2.953 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)OC)c[nH+]1 ZINC001295419892 1063430469 /nfs/dbraw/zinc/43/04/69/1063430469.db2.gz KRMRZFYFGWHTON-GOSISDBHSA-N 1 2 475.594 2.874 20 0 JFADLO CCN(CC)c1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CC[C@H](S(C)(=O)=O)C2)c[nH+]1 ZINC001295420405 1063432862 /nfs/dbraw/zinc/43/28/62/1063432862.db2.gz ZKJJOLUUDUHKHI-IBGZPJMESA-N 1 2 489.671 2.547 20 0 JFADLO C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@H](C)O1 ZINC001291277409 1063590475 /nfs/dbraw/zinc/59/04/75/1063590475.db2.gz CIVXVHPTGONKNN-KURKYZTESA-N 1 2 494.434 2.954 20 0 JFADLO C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CC[N@H+]2CCOC[C@H]2C)C[C@H](C)O1 ZINC001291277409 1063590490 /nfs/dbraw/zinc/59/04/90/1063590490.db2.gz CIVXVHPTGONKNN-KURKYZTESA-N 1 2 494.434 2.954 20 0 JFADLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(C)(F)F ZINC001291287691 1063641390 /nfs/dbraw/zinc/64/13/90/1063641390.db2.gz GKXOTKMUNNGLML-PKOBYXMFSA-N 1 2 467.586 2.936 20 0 JFADLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(C)(F)F ZINC001291287691 1063641395 /nfs/dbraw/zinc/64/13/95/1063641395.db2.gz GKXOTKMUNNGLML-PKOBYXMFSA-N 1 2 467.586 2.936 20 0 JFADLO CCN(Cc1ccc(OC)cc1OC)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001295605681 1063652203 /nfs/dbraw/zinc/65/22/03/1063652203.db2.gz PUUUWRCNVIKYJR-CTNGQTDRSA-N 1 2 473.618 2.937 20 0 JFADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccccc2Cl)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291289841 1063659331 /nfs/dbraw/zinc/65/93/31/1063659331.db2.gz QVPGWTLESLUYHU-KURKYZTESA-N 1 2 484.066 2.967 20 0 JFADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccccc2Cl)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291289841 1063659340 /nfs/dbraw/zinc/65/93/40/1063659340.db2.gz QVPGWTLESLUYHU-KURKYZTESA-N 1 2 484.066 2.967 20 0 JFADLO CCN(Cc1c[nH]c2ccccc12)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c[nH+]ccc1OC ZINC001295670418 1063710648 /nfs/dbraw/zinc/71/06/48/1063710648.db2.gz PDFSOWXLYSOKQY-INIZCTEOSA-N 1 2 483.598 2.848 20 0 JFADLO CCN(CC1CC1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001295694272 1063723315 /nfs/dbraw/zinc/72/33/15/1063723315.db2.gz QHUYLRAXSXYIAK-ICSRJNTNSA-N 1 2 478.638 2.544 20 0 JFADLO CCN(CC1CC1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001295694272 1063723324 /nfs/dbraw/zinc/72/33/24/1063723324.db2.gz QHUYLRAXSXYIAK-ICSRJNTNSA-N 1 2 478.638 2.544 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(Cc2ccccn2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001291308478 1063729401 /nfs/dbraw/zinc/72/94/01/1063729401.db2.gz NWPDDXLURZIZNE-VGSWGCGISA-N 1 2 482.551 2.514 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(Cc2ccccn2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001291308478 1063729418 /nfs/dbraw/zinc/72/94/18/1063729418.db2.gz NWPDDXLURZIZNE-VGSWGCGISA-N 1 2 482.551 2.514 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001291308559 1063730410 /nfs/dbraw/zinc/73/04/10/1063730410.db2.gz PFZSGMLPOBFXHV-KSSFIOAISA-N 1 2 484.498 2.744 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001291308559 1063730420 /nfs/dbraw/zinc/73/04/20/1063730420.db2.gz PFZSGMLPOBFXHV-KSSFIOAISA-N 1 2 484.498 2.744 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(COc2ccc(F)cc2)nnc1N(C)CCc1nccs1 ZINC001291309251 1063733175 /nfs/dbraw/zinc/73/31/75/1063733175.db2.gz CAGHRJDGAZUTCZ-KRWDZBQOSA-N 1 2 460.579 2.852 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(COc2ccc(F)cc2)nnc1N(C)CCc1nccs1 ZINC001291309251 1063733188 /nfs/dbraw/zinc/73/31/88/1063733188.db2.gz CAGHRJDGAZUTCZ-KRWDZBQOSA-N 1 2 460.579 2.852 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(N2CCCN(C(=O)c3ccccc3)CC2)nnc1C(C)(C)C ZINC001291310020 1063738056 /nfs/dbraw/zinc/73/80/56/1063738056.db2.gz ROALQWYSQAWVIV-HXUWFJFHSA-N 1 2 454.619 2.649 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(N2CCCN(C(=O)c3ccccc3)CC2)nnc1C(C)(C)C ZINC001291310020 1063738063 /nfs/dbraw/zinc/73/80/63/1063738063.db2.gz ROALQWYSQAWVIV-HXUWFJFHSA-N 1 2 454.619 2.649 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(N(C)CCCOc2ccc(S(C)(=O)=O)cc2)nnc1C(C)(C)C ZINC001291310351 1063740017 /nfs/dbraw/zinc/74/00/17/1063740017.db2.gz YJZWOCXCNLZYEM-IBGZPJMESA-N 1 2 493.674 2.605 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(N(C)CCCOc2ccc(S(C)(=O)=O)cc2)nnc1C(C)(C)C ZINC001291310351 1063740026 /nfs/dbraw/zinc/74/00/26/1063740026.db2.gz YJZWOCXCNLZYEM-IBGZPJMESA-N 1 2 493.674 2.605 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)C ZINC001295748603 1063754588 /nfs/dbraw/zinc/75/45/88/1063754588.db2.gz MWVXVNADLDQGAM-SFHVURJKSA-N 1 2 463.652 2.682 20 0 JFADLO CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)NCc3ccccc3-n3cc[nH+]c3)nn2)C1 ZINC001295781508 1063786469 /nfs/dbraw/zinc/78/64/69/1063786469.db2.gz ZPPZTSZSVBOCDD-GOSISDBHSA-N 1 2 451.531 2.966 20 0 JFADLO CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)NCc3ccccc3-n3cc[nH+]c3)nn2)C1 ZINC001295781509 1063786635 /nfs/dbraw/zinc/78/66/35/1063786635.db2.gz ZPPZTSZSVBOCDD-SFHVURJKSA-N 1 2 451.531 2.966 20 0 JFADLO CCN(CCCn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1)S(C)(=O)=O ZINC001295814044 1063813162 /nfs/dbraw/zinc/81/31/62/1063813162.db2.gz HPGXDYQCCGRQEL-UHFFFAOYSA-N 1 2 497.735 2.625 20 0 JFADLO CC[C@@](C)(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001291359428 1063867815 /nfs/dbraw/zinc/86/78/15/1063867815.db2.gz HFBAGIQOKNWPLK-XMMPIXPASA-N 1 2 484.004 2.744 20 0 JFADLO CCN(CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc[nH+]2)CC1)C(=O)OC(C)(C)C ZINC001295852955 1063878485 /nfs/dbraw/zinc/87/84/85/1063878485.db2.gz MKCDFIYNJNAUJY-LJQANCHMSA-N 1 2 471.606 2.761 20 0 JFADLO CC[N@H+](CCn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)CCC(F)(F)F ZINC001295854964 1063884159 /nfs/dbraw/zinc/88/41/59/1063884159.db2.gz ANXUFKQBSMLWON-OAHLLOKOSA-N 1 2 453.575 2.764 20 0 JFADLO CC[N@@H+](CCn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)CCC(F)(F)F ZINC001295854964 1063884174 /nfs/dbraw/zinc/88/41/74/1063884174.db2.gz ANXUFKQBSMLWON-OAHLLOKOSA-N 1 2 453.575 2.764 20 0 JFADLO CC[N@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC(C)(C)C1)CCC(F)(F)F ZINC001295857606 1063888362 /nfs/dbraw/zinc/88/83/62/1063888362.db2.gz UDTBVGIKGRGXCU-OAHLLOKOSA-N 1 2 483.626 2.786 20 0 JFADLO CC[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC(C)(C)C1)CCC(F)(F)F ZINC001295857606 1063888371 /nfs/dbraw/zinc/88/83/71/1063888371.db2.gz UDTBVGIKGRGXCU-OAHLLOKOSA-N 1 2 483.626 2.786 20 0 JFADLO CC[C@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001291368097 1063892670 /nfs/dbraw/zinc/89/26/70/1063892670.db2.gz HOEYVXGYGCZLRM-DEOSSOPVSA-N 1 2 452.607 2.993 20 0 JFADLO CC[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001291372351 1063900032 /nfs/dbraw/zinc/90/00/32/1063900032.db2.gz ZQOQBTCQWFUBPS-CYFREDJKSA-N 1 2 457.623 2.882 20 0 JFADLO CCS(=O)(=O)Nc1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c1 ZINC001295868135 1063903893 /nfs/dbraw/zinc/90/38/93/1063903893.db2.gz WUOKUXCCYRURHU-VQTJNVASSA-N 1 2 451.976 2.903 20 0 JFADLO CCS(=O)(=O)Nc1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001295868135 1063903903 /nfs/dbraw/zinc/90/39/03/1063903903.db2.gz WUOKUXCCYRURHU-VQTJNVASSA-N 1 2 451.976 2.903 20 0 JFADLO CC[C@](C)(O)Cn1c(N2CCc3c(cc[nH+]c3N(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001291380302 1063916640 /nfs/dbraw/zinc/91/66/40/1063916640.db2.gz OIQVZKYYKGQBOE-ZEQRLZLVSA-N 1 2 458.607 2.503 20 0 JFADLO CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC001291387073 1063934637 /nfs/dbraw/zinc/93/46/37/1063934637.db2.gz GQXBBRWWMXQFBF-IDISGSTGSA-N 1 2 498.672 2.885 20 0 JFADLO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC001291387075 1063934920 /nfs/dbraw/zinc/93/49/20/1063934920.db2.gz GQXBBRWWMXQFBF-KDYSTLNUSA-N 1 2 498.672 2.885 20 0 JFADLO CC[C@H](C)[C@](C)(O)Cn1c(Cc2ccsc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001291402283 1063965033 /nfs/dbraw/zinc/96/50/33/1063965033.db2.gz VTNGYOVYDVDLCQ-WZOHSFFVSA-N 1 2 488.702 2.860 20 0 JFADLO CCn1cccc(Cn2c(CC(C)C)nnc2N2CC[NH+](Cc3cnc(C)s3)CC2)c1=O ZINC001295950056 1064000667 /nfs/dbraw/zinc/00/06/67/1064000667.db2.gz YNKKIOPKRSSNPH-UHFFFAOYSA-N 1 2 455.632 2.794 20 0 JFADLO CC[C@H](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2[nH+]cnc3c2cnn3C)CC1)OC ZINC001291420573 1064001816 /nfs/dbraw/zinc/00/18/16/1064001816.db2.gz ZAXSZTHVZZMEOM-HKUYNNGSSA-N 1 2 469.638 2.931 20 0 JFADLO CC[C@H](C)c1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001291456881 1064022988 /nfs/dbraw/zinc/02/29/88/1064022988.db2.gz ZNSYQWGETWTWAJ-FCHUYYIVSA-N 1 2 488.702 2.875 20 0 JFADLO CC[C@@H](C)c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC001291457524 1064023871 /nfs/dbraw/zinc/02/38/71/1064023871.db2.gz NPJQUUHYVYTOFM-KNQAVFIVSA-N 1 2 470.618 2.726 20 0 JFADLO CC[C@H](C)c1nnc(N2C[C@@H](C(=O)NCCOC)CC[C@H]2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001291468082 1064029345 /nfs/dbraw/zinc/02/93/45/1064029345.db2.gz HHXSWQHOBMQCRZ-NSHGMRRFSA-N 1 2 457.623 2.668 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCS(C)(=O)=O)C[C@@H]1C ZINC001295980661 1064030689 /nfs/dbraw/zinc/03/06/89/1064030689.db2.gz PHBCZFBVUCMGKH-BZSNNMDCSA-N 1 2 467.611 2.911 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCS(C)(=O)=O)C[C@@H]1C ZINC001295980661 1064030701 /nfs/dbraw/zinc/03/07/01/1064030701.db2.gz PHBCZFBVUCMGKH-BZSNNMDCSA-N 1 2 467.611 2.911 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CCOC)CCCC2)C[C@H]1C ZINC001295993242 1064048266 /nfs/dbraw/zinc/04/82/66/1064048266.db2.gz CHIVJNITOLDLMC-AABGKKOBSA-N 1 2 467.680 2.696 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CCOC)CCCC2)C[C@H]1C ZINC001295993242 1064048271 /nfs/dbraw/zinc/04/82/71/1064048271.db2.gz CHIVJNITOLDLMC-AABGKKOBSA-N 1 2 467.680 2.696 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCC(Cn3nc(C)cc3C)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291503086 1064053749 /nfs/dbraw/zinc/05/37/49/1064053749.db2.gz RXYHPCDWZHPFHP-LJQANCHMSA-N 1 2 470.666 2.686 20 0 JFADLO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCS(=O)(=O)CC)C[C@H]1C ZINC001295999499 1064056267 /nfs/dbraw/zinc/05/62/67/1064056267.db2.gz BFABCIVJHYTLSM-HZPDHXFCSA-N 1 2 455.575 2.501 20 0 JFADLO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCS(=O)(=O)CC)C[C@H]1C ZINC001295999499 1064056272 /nfs/dbraw/zinc/05/62/72/1064056272.db2.gz BFABCIVJHYTLSM-HZPDHXFCSA-N 1 2 455.575 2.501 20 0 JFADLO 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456.348 2.995 20 0 JFADLO CC[C@H](C)NC(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001291830252 1064390164 /nfs/dbraw/zinc/39/01/64/1064390164.db2.gz RVHZXQKXHUZMHY-QFBILLFUSA-N 1 2 461.636 2.522 20 0 JFADLO CCn1nc(-c2nnc(N(C)CCOC(C)(C)C)n2C[C@@H](C)[NH+]2CCOCC2)c2ccccc2c1=O ZINC001296216995 1064425085 /nfs/dbraw/zinc/42/50/85/1064425085.db2.gz UWZCNJAOBRGZTO-LJQANCHMSA-N 1 2 497.644 2.647 20 0 JFADLO CCn1nc(-c2nnc(N(C)CCCSC)n2CC[N@@H+]2CCOC[C@@H]2C)c2ccccc2c1=O ZINC001296217397 1064428010 /nfs/dbraw/zinc/42/80/10/1064428010.db2.gz ZJELRVKXTAXOPA-SFHVURJKSA-N 1 2 485.658 2.585 20 0 JFADLO CCn1nc(-c2nnc(N(C)CCCSC)n2CC[N@H+]2CCOC[C@@H]2C)c2ccccc2c1=O ZINC001296217397 1064428019 /nfs/dbraw/zinc/42/80/19/1064428019.db2.gz ZJELRVKXTAXOPA-SFHVURJKSA-N 1 2 485.658 2.585 20 0 JFADLO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC001291839517 1064432350 /nfs/dbraw/zinc/43/23/50/1064432350.db2.gz IDGNZMKYDIFMPC-JOCHJYFZSA-N 1 2 496.704 2.947 20 0 JFADLO CC[C@@H](c1nnc(N(C)C[C@H](C)C(=O)NC)n1Cc1ccc[nH+]c1N1CCOCC1)c1ccccc1 ZINC001291846809 1064453973 /nfs/dbraw/zinc/45/39/73/1064453973.db2.gz WVZKKWKMSYIBQP-NZQKXSOJSA-N 1 2 491.640 2.918 20 0 JFADLO CC[C@@H](c1nnc(N(C)CCS(C)(=O)=O)n1Cc1ccc[nH+]c1N1CCOCC1)c1ccccc1 ZINC001291851212 1064457462 /nfs/dbraw/zinc/45/74/62/1064457462.db2.gz IYQJXXCAEYDRBQ-JOCHJYFZSA-N 1 2 498.653 2.581 20 0 JFADLO CC[C@@H](c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1Cc1c[nH+]ccc1OC)c1ccccc1 ZINC001291872806 1064485871 /nfs/dbraw/zinc/48/58/71/1064485871.db2.gz AIKXCDOLPFWSME-OAQYLSRUSA-N 1 2 484.626 2.790 20 0 JFADLO CC[C@H](c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1Cc1c[nH+]ccc1OC)c1ccccc1 ZINC001291872805 1064485950 /nfs/dbraw/zinc/48/59/50/1064485950.db2.gz AIKXCDOLPFWSME-NRFANRHFSA-N 1 2 484.626 2.790 20 0 JFADLO CC[C@@H](c1nnc(N2CCN(CCOC)C(=O)C2)n1Cc1c[nH+]ccc1OC)c1ccccc1 ZINC001291895128 1064525485 /nfs/dbraw/zinc/52/54/85/1064525485.db2.gz SLQVAEKLDFDEAJ-OAQYLSRUSA-N 1 2 464.570 2.567 20 0 JFADLO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1)[NH+]1CCOCC1 ZINC001291951714 1064563738 /nfs/dbraw/zinc/56/37/38/1064563738.db2.gz FDCBGMUUEYWKHC-OAQYLSRUSA-N 1 2 496.077 2.970 20 0 JFADLO CCC(CC)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(C)(C)C)[NH+]1CCOCC1 ZINC001291969673 1064585632 /nfs/dbraw/zinc/58/56/32/1064585632.db2.gz XMSGNHNHRVYRQN-VQTJNVASSA-N 1 2 469.696 2.800 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001292012646 1064637426 /nfs/dbraw/zinc/63/74/26/1064637426.db2.gz BXNHTTGJCIWMQL-UHFFFAOYSA-N 1 2 499.660 2.870 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001292016669 1064650160 /nfs/dbraw/zinc/65/01/60/1064650160.db2.gz HMPMPOHHZWZFDV-RTBURBONSA-N 1 2 469.634 2.959 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1Cc1c[nH+]ccc1OC ZINC001292035413 1064696213 /nfs/dbraw/zinc/69/62/13/1064696213.db2.gz FHZSOCLIEUDFGG-UHFFFAOYSA-N 1 2 497.644 2.877 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@@H]2C)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001292043127 1064709001 /nfs/dbraw/zinc/70/90/01/1064709001.db2.gz DAKDXESGRSSSHV-ROUUACIJSA-N 1 2 455.607 2.711 20 0 JFADLO CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001292059187 1064728594 /nfs/dbraw/zinc/72/85/94/1064728594.db2.gz UAGCDLAHQVKLKZ-FGSXEWAUSA-N 1 2 451.589 2.574 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1Cc1cccc(F)c1 ZINC001292063015 1064735530 /nfs/dbraw/zinc/73/55/30/1064735530.db2.gz KVGZKWLPWOVZPK-QFIPXVFZSA-N 1 2 471.625 2.600 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1CC1(C)CCCC1 ZINC001292063286 1064736329 /nfs/dbraw/zinc/73/63/29/1064736329.db2.gz QKTIDTHFOKFLHA-OAQYLSRUSA-N 1 2 459.683 2.993 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCCn1cccn1 ZINC001292072980 1064751216 /nfs/dbraw/zinc/75/12/16/1064751216.db2.gz AJTIOWFRFKMWFC-UHFFFAOYSA-N 1 2 465.606 2.507 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@@H]1CCC=CO1 ZINC001292073342 1064751611 /nfs/dbraw/zinc/75/16/11/1064751611.db2.gz DLDDGKIRMRSSFJ-IBGZPJMESA-N 1 2 453.591 2.913 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1CCc1n[nH]c(C)n1 ZINC001292114536 1064828734 /nfs/dbraw/zinc/82/87/34/1064828734.db2.gz BRJREESDFIFGAF-MRXNPFEDSA-N 1 2 485.662 2.810 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1CCc1nc(C)n[nH]1 ZINC001292114536 1064828748 /nfs/dbraw/zinc/82/87/48/1064828748.db2.gz BRJREESDFIFGAF-MRXNPFEDSA-N 1 2 485.662 2.810 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCN(CC(C)C)C(=O)C2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001292125767 1064871671 /nfs/dbraw/zinc/87/16/71/1064871671.db2.gz VSIAVIQXZIJCKD-IBGZPJMESA-N 1 2 484.649 2.584 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1CC1(O)CCCC1 ZINC001292125913 1064872302 /nfs/dbraw/zinc/87/23/02/1064872302.db2.gz XHLVXXYVXHRXJY-UHFFFAOYSA-N 1 2 472.609 2.963 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001292135129 1064898508 /nfs/dbraw/zinc/89/85/08/1064898508.db2.gz DJXSHFVMILRQQA-PKOBYXMFSA-N 1 2 499.664 2.701 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001292135129 1064898515 /nfs/dbraw/zinc/89/85/15/1064898515.db2.gz DJXSHFVMILRQQA-PKOBYXMFSA-N 1 2 499.664 2.701 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1CC[N@@H+]1CCOCC1(C)C ZINC001292147105 1064925229 /nfs/dbraw/zinc/92/52/29/1064925229.db2.gz KBKQQXUXADYZGI-DLBZAZTESA-N 1 2 452.669 2.638 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1CC[N@H+]1CCOCC1(C)C ZINC001292147105 1064925250 /nfs/dbraw/zinc/92/52/50/1064925250.db2.gz KBKQQXUXADYZGI-DLBZAZTESA-N 1 2 452.669 2.638 20 0 JFADLO COc1nsc(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)c1Br ZINC001292182604 1064972756 /nfs/dbraw/zinc/97/27/56/1064972756.db2.gz IAMYWRAEXGHDTO-UHFFFAOYSA-N 1 2 456.362 2.555 20 0 JFADLO Cc1ccc2nc(CSCC(=O)NCc3ccccc3OCC[NH+]3CCOCC3)cn2c1 ZINC001292183719 1064974232 /nfs/dbraw/zinc/97/42/32/1064974232.db2.gz VHGOLKXQFWZBDB-UHFFFAOYSA-N 1 2 454.596 2.903 20 0 JFADLO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC001292183802 1064974673 /nfs/dbraw/zinc/97/46/73/1064974673.db2.gz XBEKTROSGZWBLN-VWPQPMDRSA-N 1 2 459.587 2.517 20 0 JFADLO CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc[nH+]2)CC1)NC(=O)OC(C)(C)C ZINC001292226460 1065013992 /nfs/dbraw/zinc/01/39/92/1065013992.db2.gz SZJZBFXEAKNQJK-RBUKOAKNSA-N 1 2 471.606 2.807 20 0 JFADLO CC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc[nH+]2)CC1)NC(=O)OC(C)(C)C ZINC001292226456 1065014070 /nfs/dbraw/zinc/01/40/70/1065014070.db2.gz SZJZBFXEAKNQJK-MOPGFXCFSA-N 1 2 471.606 2.807 20 0 JFADLO CC[C@]1(C)CC[C@@H](Cn2c([C@H](C)OCCOC)nnc2N2CCN(c3cc[nH+]c(C)n3)CC2)O1 ZINC001292298877 1065069797 /nfs/dbraw/zinc/06/97/97/1065069797.db2.gz HHYMHRBVMJFOQS-VAXXYWNWSA-N 1 2 473.622 2.775 20 0 JFADLO CCc1cc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c2c(n1)onc2C(C)C ZINC001292374320 1065117179 /nfs/dbraw/zinc/11/71/79/1065117179.db2.gz OQAGKPKJLCVLNW-UHFFFAOYSA-N 1 2 450.543 2.772 20 0 JFADLO CCc1ccc(-c2nnc(N(C)CCS(C)(=O)=O)n2CCc2cn3ccccc3[nH+]2)cc1 ZINC001292474288 1065199162 /nfs/dbraw/zinc/19/91/62/1065199162.db2.gz OOAJAPUCJQHYEN-UHFFFAOYSA-N 1 2 452.584 2.879 20 0 JFADLO CCc1ccc(-c2nnc(N3CCc4c(cc[nH+]c4N(C)C)C3)n2CCS(=O)(=O)CC)cc1 ZINC001292505433 1065222877 /nfs/dbraw/zinc/22/28/77/1065222877.db2.gz ZLAJDDPIEMKEDE-UHFFFAOYSA-N 1 2 468.627 2.966 20 0 JFADLO CCc1ccc(-c2nnc(N3CC[NH+](C[C@@H]4CN(C(C)C)CCO4)CC3)n2C[C@](C)(O)CC)cc1 ZINC001292520802 1065246508 /nfs/dbraw/zinc/24/65/08/1065246508.db2.gz UPWCYVIBHREUNG-SHQCIBLASA-N 1 2 484.689 2.900 20 0 JFADLO CCc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CC[NH+](CC(=O)N(CC)CC)CC2)s1 ZINC001292561004 1065275328 /nfs/dbraw/zinc/27/53/28/1065275328.db2.gz VHQHEIDKHDJPFJ-UHFFFAOYSA-N 1 2 455.632 2.936 20 0 JFADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)CCO1 ZINC001292572620 1065283792 /nfs/dbraw/zinc/28/37/92/1065283792.db2.gz ADMBIJQXUWYJEB-PBHICJAKSA-N 1 2 456.381 2.852 20 0 JFADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)CCO1 ZINC001292572620 1065283802 /nfs/dbraw/zinc/28/38/02/1065283802.db2.gz ADMBIJQXUWYJEB-PBHICJAKSA-N 1 2 456.381 2.852 20 0 JFADLO CCc1ccccc1NC(=O)CN(C)c1nnc([C@H]2CCCOC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001292579720 1065295974 /nfs/dbraw/zinc/29/59/74/1065295974.db2.gz YWJRNWFGXXNANF-FPOVZHCZSA-N 1 2 470.618 2.530 20 0 JFADLO CCc1ccccc1NC(=O)CN(C)c1nnc([C@H]2CCCOC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001292579720 1065295983 /nfs/dbraw/zinc/29/59/83/1065295983.db2.gz YWJRNWFGXXNANF-FPOVZHCZSA-N 1 2 470.618 2.530 20 0 JFADLO CCc1ccccc1OCc1nnc(N2CCC[C@H](CC(N)=O)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001292603792 1065327307 /nfs/dbraw/zinc/32/73/07/1065327307.db2.gz NWJCEINXJGGJTE-OAQYLSRUSA-N 1 2 497.688 2.537 20 0 JFADLO CCc1ccccc1OCc1nnc(N2CCC[C@H](CC(N)=O)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001292603792 1065327318 /nfs/dbraw/zinc/32/73/18/1065327318.db2.gz NWJCEINXJGGJTE-OAQYLSRUSA-N 1 2 497.688 2.537 20 0 JFADLO CCc1ccccc1OCc1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C[C@@H](F)COC ZINC001292614390 1065343897 /nfs/dbraw/zinc/34/38/97/1065343897.db2.gz DKJWEMHFVLWAHY-HXUWFJFHSA-N 1 2 469.565 2.829 20 0 JFADLO CCc1ccccc1OCc1nnc(Nc2cnn(C)c2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001292623867 1065359711 /nfs/dbraw/zinc/35/97/11/1065359711.db2.gz GKGLZLRSTDKBIC-IBGZPJMESA-N 1 2 452.607 2.923 20 0 JFADLO Cc1c(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)cccc1C(=O)N1CCSCC1 ZINC001292668043 1065406810 /nfs/dbraw/zinc/40/68/10/1065406810.db2.gz LKFUVYQNNKUQAB-FQEVSTJZSA-N 1 2 457.600 2.619 20 0 JFADLO Cc1c(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)cccc1C(=O)N1CCSCC1 ZINC001292668043 1065406818 /nfs/dbraw/zinc/40/68/18/1065406818.db2.gz LKFUVYQNNKUQAB-FQEVSTJZSA-N 1 2 457.600 2.619 20 0 JFADLO CCc1nc(C)c([C@@H](C)N(C)c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)s1 ZINC001292673449 1065413387 /nfs/dbraw/zinc/41/33/87/1065413387.db2.gz KWWHRPGLBQNWFE-QUCCMNQESA-N 1 2 489.690 2.861 20 0 JFADLO CCc1nc(Cn2c(N3CC[NH+]([C@@H](C)C(=O)N4CCCC4)CC3)nnc2C(C)(C)C)cs1 ZINC001292748929 1065506330 /nfs/dbraw/zinc/50/63/30/1065506330.db2.gz DGOYTGUWWFWXFJ-KRWDZBQOSA-N 1 2 459.664 2.776 20 0 JFADLO CCc1nn(C)c(OC)c1Cn1c(CC)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC001292777330 1065537105 /nfs/dbraw/zinc/53/71/05/1065537105.db2.gz GKXUUTKVNIGXOK-LJQANCHMSA-N 1 2 473.647 2.765 20 0 JFADLO CCc1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1CCNC(=O)c1cccs1 ZINC001292825132 1065567520 /nfs/dbraw/zinc/56/75/20/1065567520.db2.gz NLGXBMWMZPLXFR-QGZVFWFLSA-N 1 2 474.656 2.903 20 0 JFADLO CCc1nnc(N(C)Cc2ccc(OC)cc2OC)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001292832934 1065570301 /nfs/dbraw/zinc/57/03/01/1065570301.db2.gz AULXBNBXZFGOGI-SFHVURJKSA-N 1 2 466.590 2.995 20 0 JFADLO CCc1nnc(N(C)Cc2ccc(OC)cc2OC)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001292832934 1065570314 /nfs/dbraw/zinc/57/03/14/1065570314.db2.gz AULXBNBXZFGOGI-SFHVURJKSA-N 1 2 466.590 2.995 20 0 JFADLO CCc1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001292834408 1065570800 /nfs/dbraw/zinc/57/08/00/1065570800.db2.gz VQRYXQGBAUCGNH-GOSISDBHSA-N 1 2 484.626 2.549 20 0 JFADLO CCc1nnc(N2C[C@@H](C(=O)NCCOC)CC[C@H]2C)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001292892579 1065590144 /nfs/dbraw/zinc/59/01/44/1065590144.db2.gz HYBVWSHREPLJQE-KNQAVFIVSA-N 1 2 465.602 2.501 20 0 JFADLO COc1ccc(C(C)(C)CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1OC ZINC001292900440 1065598645 /nfs/dbraw/zinc/59/86/45/1065598645.db2.gz ZLYRNUCJPVQLDB-UHFFFAOYSA-N 1 2 454.571 2.622 20 0 JFADLO CCc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001292920235 1065605715 /nfs/dbraw/zinc/60/57/15/1065605715.db2.gz XQCKABHYSRODOM-HNNXBMFYSA-N 1 2 466.512 2.689 20 0 JFADLO CCc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001292920235 1065605724 /nfs/dbraw/zinc/60/57/24/1065605724.db2.gz XQCKABHYSRODOM-HNNXBMFYSA-N 1 2 466.512 2.689 20 0 JFADLO CC(C)(C)OC(=O)N1CCC[C@@H](/C=C/C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)C1 ZINC001292946086 1065628366 /nfs/dbraw/zinc/62/83/66/1065628366.db2.gz GNCFURBWGCZUPV-BLRBJFNZSA-N 1 2 456.587 2.633 20 0 JFADLO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC[C@H](C)CN3CC[NH+](C)CC3)ccc2C)c1 ZINC001292959325 1065637850 /nfs/dbraw/zinc/63/78/50/1065637850.db2.gz UTOWFSJJUDMWBN-IBGZPJMESA-N 1 2 458.628 2.718 20 0 JFADLO CCc1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001292977988 1065658287 /nfs/dbraw/zinc/65/82/87/1065658287.db2.gz MKVUCOAKHJHFTO-HSZRJFAPSA-N 1 2 468.646 2.963 20 0 JFADLO O=C(C[N@H+]1CCCN(C(=O)[C@H]2CC(c3ccc(Cl)cc3Cl)=NO2)CC1)N1CCCC1 ZINC001292984707 1065667980 /nfs/dbraw/zinc/66/79/80/1065667980.db2.gz AYUGDSLWTKQYFQ-LJQANCHMSA-N 1 2 453.370 2.643 20 0 JFADLO O=C(C[N@@H+]1CCCN(C(=O)[C@H]2CC(c3ccc(Cl)cc3Cl)=NO2)CC1)N1CCCC1 ZINC001292984707 1065667985 /nfs/dbraw/zinc/66/79/85/1065667985.db2.gz AYUGDSLWTKQYFQ-LJQANCHMSA-N 1 2 453.370 2.643 20 0 JFADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C2(N(C(=O)OC(C)(C)C)C3CC3)CCC2)CC1 ZINC001292987111 1065673203 /nfs/dbraw/zinc/67/32/03/1065673203.db2.gz QICRNQYEEBMVLF-UHFFFAOYSA-N 1 2 450.624 2.711 20 0 JFADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C2(N(C(=O)OC(C)(C)C)C3CC3)CCC2)CC1 ZINC001292987111 1065673205 /nfs/dbraw/zinc/67/32/05/1065673205.db2.gz QICRNQYEEBMVLF-UHFFFAOYSA-N 1 2 450.624 2.711 20 0 JFADLO CCc1nnc(N2CCN(C(=O)N(CC)CC)CC2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001293085237 1065735853 /nfs/dbraw/zinc/73/58/53/1065735853.db2.gz CGBYOYCIDCQBHO-UHFFFAOYSA-N 1 2 454.623 2.858 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 ZINC001293092747 1065740125 /nfs/dbraw/zinc/74/01/25/1065740125.db2.gz FEPLJKZYMAUIOC-RHSMWYFYSA-N 1 2 456.381 2.852 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 ZINC001293092747 1065740141 /nfs/dbraw/zinc/74/01/41/1065740141.db2.gz FEPLJKZYMAUIOC-RHSMWYFYSA-N 1 2 456.381 2.852 20 0 JFADLO CCc1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001293092620 1065740360 /nfs/dbraw/zinc/74/03/60/1065740360.db2.gz MIDSIHQPFHHPBK-JOCHJYFZSA-N 1 2 470.618 2.656 20 0 JFADLO CCc1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001293092620 1065740370 /nfs/dbraw/zinc/74/03/70/1065740370.db2.gz MIDSIHQPFHHPBK-JOCHJYFZSA-N 1 2 470.618 2.656 20 0 JFADLO CCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 ZINC001293092946 1065740831 /nfs/dbraw/zinc/74/08/31/1065740831.db2.gz DNHBQSQOTSFZOK-LEWJYISDSA-N 1 2 495.672 2.550 20 0 JFADLO CCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1cc(Cl)ccc1OC ZINC001293095912 1065745807 /nfs/dbraw/zinc/74/58/07/1065745807.db2.gz UERHCDNDFGGJII-KRWDZBQOSA-N 1 2 461.010 2.684 20 0 JFADLO CCc1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CCCOC1CCOCC1 ZINC001293108344 1065754613 /nfs/dbraw/zinc/75/46/13/1065754613.db2.gz IQVSPXQFPOSKKT-UHFFFAOYSA-N 1 2 457.623 2.975 20 0 JFADLO CCc1nnc(N2CCN(c3ncc(F)cn3)CC2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001293111117 1065756462 /nfs/dbraw/zinc/75/64/62/1065756462.db2.gz LKNCQOPSVVXYLC-SFHVURJKSA-N 1 2 460.508 2.677 20 0 JFADLO CCc1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001293122724 1065775242 /nfs/dbraw/zinc/77/52/42/1065775242.db2.gz BZMKYXLMCOQCRN-FQEVSTJZSA-N 1 2 466.552 2.907 20 0 JFADLO CCc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001293129968 1065780402 /nfs/dbraw/zinc/78/04/02/1065780402.db2.gz CROFBXMZBZEPBH-NBGIEHNGSA-N 1 2 491.080 2.633 20 0 JFADLO CCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001293130527 1065781808 /nfs/dbraw/zinc/78/18/08/1065781808.db2.gz HVUFDGQTPUQYEI-ZDXQCDESSA-N 1 2 476.710 2.913 20 0 JFADLO CCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCO[C@H]1CCCC[C@H]1C ZINC001293131557 1065783607 /nfs/dbraw/zinc/78/36/07/1065783607.db2.gz OUVHJXNXJBFMGU-ZLNRFVROSA-N 1 2 462.683 2.667 20 0 JFADLO CCc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1C[C@@H]1CCCCC1(F)F ZINC001293132688 1065785096 /nfs/dbraw/zinc/78/50/96/1065785096.db2.gz YNGSWHJNXUGVGO-PMACEKPBSA-N 1 2 454.610 2.897 20 0 JFADLO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001293226823 1065879369 /nfs/dbraw/zinc/87/93/69/1065879369.db2.gz DAVSXQDHHAYQFV-OAQYLSRUSA-N 1 2 463.586 2.958 20 0 JFADLO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2csc(C)n2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001293243495 1065906265 /nfs/dbraw/zinc/90/62/65/1065906265.db2.gz WEBGRTYCBYVVQP-MOPGFXCFSA-N 1 2 489.596 2.930 20 0 JFADLO CC[C@@H]1C(=O)NCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001293247013 1065911507 /nfs/dbraw/zinc/91/15/07/1065911507.db2.gz LJBKFDUXFCLYEL-VQIMIIECSA-N 1 2 479.050 2.659 20 0 JFADLO CC[C@H]1c2ccsc2CCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001293288890 1065935062 /nfs/dbraw/zinc/93/50/62/1065935062.db2.gz LMZCPYHHCWBUKW-QAPCUYQASA-N 1 2 489.671 2.973 20 0 JFADLO CC[C@@H]1C[C@H](C)CN1c1nnc(Cc2ccccc2OC)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001293316283 1065946350 /nfs/dbraw/zinc/94/63/50/1065946350.db2.gz PBTZCYUTTBCUDL-SIKLNZKXSA-N 1 2 454.619 2.666 20 0 JFADLO Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC001293322566 1065948176 /nfs/dbraw/zinc/94/81/76/1065948176.db2.gz NSOVIQXUNOGBJL-GOSISDBHSA-N 1 2 453.967 2.847 20 0 JFADLO Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC001293322566 1065948185 /nfs/dbraw/zinc/94/81/85/1065948185.db2.gz NSOVIQXUNOGBJL-GOSISDBHSA-N 1 2 453.967 2.847 20 0 JFADLO CC[C@@H]1CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001293419390 1066001549 /nfs/dbraw/zinc/00/15/49/1066001549.db2.gz YFTNLYSFYOZPCA-KSEOMHKRSA-N 1 2 490.674 2.649 20 0 JFADLO CC[C@@H]1CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001293436087 1066006354 /nfs/dbraw/zinc/00/63/54/1066006354.db2.gz ONYHIKYMXGWCBC-ZCNNSNEGSA-N 1 2 478.638 2.686 20 0 JFADLO CC[C@@H]1CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001293436087 1066006366 /nfs/dbraw/zinc/00/63/66/1066006366.db2.gz ONYHIKYMXGWCBC-ZCNNSNEGSA-N 1 2 478.638 2.686 20 0 JFADLO CC[C@@H]1CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001293436086 1066006407 /nfs/dbraw/zinc/00/64/07/1066006407.db2.gz ONYHIKYMXGWCBC-XUVXKRRUSA-N 1 2 478.638 2.686 20 0 JFADLO CC[C@@H]1CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001293436086 1066006417 /nfs/dbraw/zinc/00/64/17/1066006417.db2.gz ONYHIKYMXGWCBC-XUVXKRRUSA-N 1 2 478.638 2.686 20 0 JFADLO CC[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001293463059 1066016180 /nfs/dbraw/zinc/01/61/80/1066016180.db2.gz NBNKFMUPVYKWNA-CTNGQTDRSA-N 1 2 475.659 2.942 20 0 JFADLO CC[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001293463059 1066016193 /nfs/dbraw/zinc/01/61/93/1066016193.db2.gz NBNKFMUPVYKWNA-CTNGQTDRSA-N 1 2 475.659 2.942 20 0 JFADLO CCC(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CC)C1)[NH+]1CCOCC1 ZINC001293482446 1066020983 /nfs/dbraw/zinc/02/09/83/1066020983.db2.gz COWUOGXAGFWTLU-NRSPTQNISA-N 1 2 467.680 2.554 20 0 JFADLO CC[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2c[nH+]ccc2OC)CCO1 ZINC001293509310 1066033677 /nfs/dbraw/zinc/03/36/77/1066033677.db2.gz HSXPFPFUFUXQIZ-IBGZPJMESA-N 1 2 470.961 2.929 20 0 JFADLO Cn1cc(NS(=O)(=O)c2ccsc2C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC001293626406 1066141150 /nfs/dbraw/zinc/14/11/50/1066141150.db2.gz JNTZUFMLUKERRJ-SFHVURJKSA-N 1 2 459.597 2.677 20 0 JFADLO Cn1cc(NS(=O)(=O)c2ccsc2C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC001293626406 1066141155 /nfs/dbraw/zinc/14/11/55/1066141155.db2.gz JNTZUFMLUKERRJ-SFHVURJKSA-N 1 2 459.597 2.677 20 0 JFADLO CC[C@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001293647068 1066162064 /nfs/dbraw/zinc/16/20/64/1066162064.db2.gz BJIPMIYEUPZHRB-NRFANRHFSA-N 1 2 472.659 2.658 20 0 JFADLO CC[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001293652903 1066164662 /nfs/dbraw/zinc/16/46/62/1066164662.db2.gz PVPPJUVPMXEHHE-AQNXPRMDSA-N 1 2 478.638 2.686 20 0 JFADLO CC/C=C\Cn1c(COc2ccc(OC)cc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001293726118 1066184628 /nfs/dbraw/zinc/18/46/28/1066184628.db2.gz MPTFDOMPQQRWLI-RMUOZIPVSA-N 1 2 482.629 2.965 20 0 JFADLO CCCC(=O)N[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCCc2cccc(C)[nH+]2)C1 ZINC001293755285 1066232764 /nfs/dbraw/zinc/23/27/64/1066232764.db2.gz KWYYVFZFAQATEN-OAQYLSRUSA-N 1 2 467.618 2.622 20 0 JFADLO CCCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001293759170 1066242315 /nfs/dbraw/zinc/24/23/15/1066242315.db2.gz DXBNJJNGFCTTOE-YYTDSSBASA-N 1 2 490.693 2.803 20 0 JFADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CCCC(=O)c1ccc2c(c1)OCCO2 ZINC001293764329 1066251884 /nfs/dbraw/zinc/25/18/84/1066251884.db2.gz UCNCPJBLRGJFFQ-LJQANCHMSA-N 1 2 452.555 2.533 20 0 JFADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 ZINC001293776360 1066269503 /nfs/dbraw/zinc/26/95/03/1066269503.db2.gz JQTWONDJWYXASZ-LJQANCHMSA-N 1 2 455.534 2.879 20 0 JFADLO CCCC(=O)NC1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001293779449 1066272986 /nfs/dbraw/zinc/27/29/86/1066272986.db2.gz HMWMGFKFZKLIAT-NRFANRHFSA-N 1 2 484.645 2.771 20 0 JFADLO CCCC(=O)NC1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001293779449 1066272998 /nfs/dbraw/zinc/27/29/98/1066272998.db2.gz HMWMGFKFZKLIAT-NRFANRHFSA-N 1 2 484.645 2.771 20 0 JFADLO CCC[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001293818809 1066325816 /nfs/dbraw/zinc/32/58/16/1066325816.db2.gz AJCMEDRMCLLGTQ-CYFREDJKSA-N 1 2 457.623 2.882 20 0 JFADLO CCC[C@@](C)(O)Cn1c(Cc2ccccc2C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001293830740 1066334842 /nfs/dbraw/zinc/33/48/42/1066334842.db2.gz BSSWXXZNZDQFCW-AJTFRIOCSA-N 1 2 482.673 2.861 20 0 JFADLO CCC[C@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001293833242 1066337032 /nfs/dbraw/zinc/33/70/32/1066337032.db2.gz CCXLODLJNMEOEW-DEOSSOPVSA-N 1 2 483.642 2.844 20 0 JFADLO COc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)NCCCCn3cc[nH+]c3C)c2)cc1 ZINC001293855845 1066363321 /nfs/dbraw/zinc/36/33/21/1066363321.db2.gz SHUSYMCGQVYASK-UHFFFAOYSA-N 1 2 458.540 2.917 20 0 JFADLO O=C(NCCCNc1cccc[nH+]1)c1cc(S(=O)(=O)NC2CC2)ccc1Br ZINC001293928201 1066408092 /nfs/dbraw/zinc/40/80/92/1066408092.db2.gz BIFQOLFDRPPSJV-UHFFFAOYSA-N 1 2 453.362 2.517 20 0 JFADLO C[C@@H](CNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)C[NH+]1CCOCC1 ZINC001293933231 1066413428 /nfs/dbraw/zinc/41/34/28/1066413428.db2.gz QXUKTHWUQQRZKI-INIZCTEOSA-N 1 2 451.976 2.839 20 0 JFADLO CCC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CCc2nnc(C)[nH]2)CC[N@@H+]1CCOC ZINC001294072246 1066541224 /nfs/dbraw/zinc/54/12/24/1066541224.db2.gz FBYPYBXTMZQLOF-HXUWFJFHSA-N 1 2 452.607 2.860 20 0 JFADLO CCC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CCc2nnc(C)[nH]2)CC[N@H+]1CCOC ZINC001294072246 1066541236 /nfs/dbraw/zinc/54/12/36/1066541236.db2.gz FBYPYBXTMZQLOF-HXUWFJFHSA-N 1 2 452.607 2.860 20 0 JFADLO CCC[C@@H]1CN(c2nnc(C3CCC3)n2CC2(S(C)(=O)=O)CCCC2)CC[N@@H+]1CCOC ZINC001294083792 1066553281 /nfs/dbraw/zinc/55/32/81/1066553281.db2.gz ODBIVCBWABQIHS-HXUWFJFHSA-N 1 2 467.680 2.840 20 0 JFADLO CCC[C@@H]1CN(c2nnc(C3CCC3)n2CC2(S(C)(=O)=O)CCCC2)CC[N@H+]1CCOC ZINC001294083792 1066553290 /nfs/dbraw/zinc/55/32/90/1066553290.db2.gz ODBIVCBWABQIHS-HXUWFJFHSA-N 1 2 467.680 2.840 20 0 JFADLO CCC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C)CCCC2)CC[N@@H+]1CCOC ZINC001294085076 1066555116 /nfs/dbraw/zinc/55/51/16/1066555116.db2.gz DAGOBMWHOKPQJK-WOJBJXKFSA-N 1 2 467.680 2.698 20 0 JFADLO CCC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C)CCCC2)CC[N@H+]1CCOC ZINC001294085076 1066555129 /nfs/dbraw/zinc/55/51/29/1066555129.db2.gz DAGOBMWHOKPQJK-WOJBJXKFSA-N 1 2 467.680 2.698 20 0 JFADLO COCCN1CC[N@H+](C)C2(CCN(c3ncnc4c(-c5ccccc5)nsc43)CC2)C1=O ZINC001164644122 719280458 /nfs/dbraw/zinc/28/04/58/719280458.db2.gz DTIXNQDMPUYYPU-UHFFFAOYSA-N 1 2 452.584 2.513 20 0 JFADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncnc4c(-c5ccccc5)nsc43)CC2)C1=O ZINC001164644122 719280470 /nfs/dbraw/zinc/28/04/70/719280470.db2.gz DTIXNQDMPUYYPU-UHFFFAOYSA-N 1 2 452.584 2.513 20 0 JFADLO COCCN1CC[N@H+](C)C2(CCN(c3nc4ccccc4nc3N3CCCC[C@H]3C)CC2)C1=O ZINC001164644083 719280587 /nfs/dbraw/zinc/28/05/87/719280587.db2.gz BUFILZJTZHFALG-HXUWFJFHSA-N 1 2 466.630 2.768 20 0 JFADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc4ccccc4nc3N3CCCC[C@H]3C)CC2)C1=O ZINC001164644083 719280589 /nfs/dbraw/zinc/28/05/89/719280589.db2.gz BUFILZJTZHFALG-HXUWFJFHSA-N 1 2 466.630 2.768 20 0 JFADLO COC(=O)c1nc2cnccc2c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164670013 719513146 /nfs/dbraw/zinc/51/31/46/719513146.db2.gz APKSSHKKPBBZRG-UHFFFAOYSA-N 1 2 451.502 2.822 20 0 JFADLO COC(=O)c1nc2cnccc2c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164670013 719513154 /nfs/dbraw/zinc/51/31/54/719513154.db2.gz APKSSHKKPBBZRG-UHFFFAOYSA-N 1 2 451.502 2.822 20 0 JFADLO COC[C@@H]1CN(c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)Cc2cn(C)nc21 ZINC001164693510 719831861 /nfs/dbraw/zinc/83/18/61/719831861.db2.gz BTOOFTJBBNBYBU-QFIPXVFZSA-N 1 2 460.582 2.523 20 0 JFADLO Cn1nnc2c1[C@@H](COCc1cccnc1)CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164694143 719834405 /nfs/dbraw/zinc/83/44/05/719834405.db2.gz FOTBTQNJSRAKMP-JOCHJYFZSA-N 1 2 482.592 2.879 20 0 JFADLO Cn1nnc2c1[C@@H](COCc1cccnc1)CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164694143 719834407 /nfs/dbraw/zinc/83/44/07/719834407.db2.gz FOTBTQNJSRAKMP-JOCHJYFZSA-N 1 2 482.592 2.879 20 0 JFADLO CCOC(=O)c1cnc(Cl)c(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1Cl ZINC001164704764 719846623 /nfs/dbraw/zinc/84/66/23/719846623.db2.gz SNOQUPPNKBSBJE-XCLFUZPHSA-N 1 2 460.358 2.798 20 0 JFADLO CCOC(=O)c1cnc(Cl)c(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1Cl ZINC001164704758 719846656 /nfs/dbraw/zinc/84/66/56/719846656.db2.gz SNOQUPPNKBSBJE-RNODOKPDSA-N 1 2 460.358 2.798 20 0 JFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1ncn2Cc1ccccc1 ZINC001164696609 719847821 /nfs/dbraw/zinc/84/78/21/719847821.db2.gz AKKIGOTXRDWNNL-KOSHJBKYSA-N 1 2 484.988 2.761 20 0 JFADLO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164703132 719850411 /nfs/dbraw/zinc/85/04/11/719850411.db2.gz PAAGNSOTGMUEEN-QMHKHESXSA-N 1 2 474.583 2.615 20 0 JFADLO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164698383 719852231 /nfs/dbraw/zinc/85/22/31/719852231.db2.gz BWAGAUAKBPHJHB-IQMFZBJNSA-N 1 2 476.961 2.693 20 0 JFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc(Oc2ccc(F)cc2)n1 ZINC001164702891 719860153 /nfs/dbraw/zinc/86/01/53/719860153.db2.gz OETBVWZTNNOIET-VFNWGFHPSA-N 1 2 465.913 2.689 20 0 JFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc(Oc2cccc(F)c2)n1 ZINC001164703537 719860968 /nfs/dbraw/zinc/86/09/68/719860968.db2.gz QDUFDZYLQJBALE-BTYIYWSLSA-N 1 2 465.913 2.689 20 0 JFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc3c(c2)OCCCO3)nn1 ZINC001164700632 719872265 /nfs/dbraw/zinc/87/22/65/719872265.db2.gz FDUNFOLRBKUDSU-KBMIEXCESA-N 1 2 468.554 2.538 20 0 JFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc3c(c2)OCCCO3)nn1 ZINC001164700635 719872367 /nfs/dbraw/zinc/87/23/67/719872367.db2.gz FDUNFOLRBKUDSU-UQBPGWFLSA-N 1 2 468.554 2.538 20 0 JFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)COC(=O)Nc1cccnc1Cl ZINC001164708210 719877173 /nfs/dbraw/zinc/87/71/73/719877173.db2.gz YQTGWRFPLDNCFR-AUUYWEPGSA-N 1 2 476.908 2.605 20 0 JFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)Cc1nc2c(ncnc2Cl)s1 ZINC001164702159 719880711 /nfs/dbraw/zinc/88/07/11/719880711.db2.gz ONSSBSIFFIPRCY-XIKOKIGWSA-N 1 2 475.949 2.603 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)nc3cccc(Cl)c31)CC2 ZINC001164709440 719907628 /nfs/dbraw/zinc/90/76/28/719907628.db2.gz URFBCTDKXHVBDB-UHFFFAOYSA-N 1 2 460.369 2.620 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1nc3ccccc3nc1Cl)CC2 ZINC001164709356 719914478 /nfs/dbraw/zinc/91/44/78/719914478.db2.gz UHUGGDXDCGFSFJ-UHFFFAOYSA-N 1 2 475.931 2.512 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc3cc(Cl)c(Cl)cc31)CC2 ZINC001164708347 719918295 /nfs/dbraw/zinc/91/82/95/719918295.db2.gz AAZANKHGXKMIGJ-UHFFFAOYSA-N 1 2 460.369 2.620 20 0 JFADLO Cc1cccc(Sc2cncc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)n2)c1 ZINC001164708295 719920260 /nfs/dbraw/zinc/92/02/60/719920260.db2.gz HRJJRQYAVAQYHK-UHFFFAOYSA-N 1 2 463.611 2.620 20 0 JFADLO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708276 719921545 /nfs/dbraw/zinc/92/15/45/719921545.db2.gz GYQVVSXALHPHLP-UHFFFAOYSA-N 1 2 496.999 2.749 20 0 JFADLO COc1ccccc1Oc1nc(Cl)ncc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708750 719935843 /nfs/dbraw/zinc/93/58/43/719935843.db2.gz OOEYUKNNEPFFTM-UHFFFAOYSA-N 1 2 497.987 2.615 20 0 JFADLO COc1cccc(Oc2nc(Cl)ncc2N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1 ZINC001164709125 719936609 /nfs/dbraw/zinc/93/66/09/719936609.db2.gz YCVJSPLBNOEUFA-UHFFFAOYSA-N 1 2 497.987 2.615 20 0 JFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3cccc(OC)c3)C2)C1 ZINC001164723427 720305987 /nfs/dbraw/zinc/30/59/87/720305987.db2.gz OTZLYLVLCPSUMW-HSZRJFAPSA-N 1 2 475.977 2.596 20 0 JFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3cccc(OC)c3)C2)C1 ZINC001164723427 720305998 /nfs/dbraw/zinc/30/59/98/720305998.db2.gz OTZLYLVLCPSUMW-HSZRJFAPSA-N 1 2 475.977 2.596 20 0 JFADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1 ZINC001164723813 720318109 /nfs/dbraw/zinc/31/81/09/720318109.db2.gz PILFNXZSDTZVEO-OAHLLOKOSA-N 1 2 475.949 2.701 20 0 JFADLO CCOC(=O)/C=C/c1cccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164826596 720360146 /nfs/dbraw/zinc/36/01/46/720360146.db2.gz XKDMAEPGPLPOGT-BQYQJAHWSA-N 1 2 469.611 2.736 20 0 JFADLO CCOC(=O)/C=C/c1cccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164826596 720360152 /nfs/dbraw/zinc/36/01/52/720360152.db2.gz XKDMAEPGPLPOGT-BQYQJAHWSA-N 1 2 469.611 2.736 20 0 JFADLO CCOC(=O)c1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)ncc1Cl ZINC001164824036 720360382 /nfs/dbraw/zinc/36/03/82/720360382.db2.gz HNHUTDKTMXRCRY-UHFFFAOYSA-N 1 2 478.018 2.990 20 0 JFADLO CCOC(=O)c1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)ncc1Cl ZINC001164824036 720360389 /nfs/dbraw/zinc/36/03/89/720360389.db2.gz HNHUTDKTMXRCRY-UHFFFAOYSA-N 1 2 478.018 2.990 20 0 JFADLO CSc1ncc(Cl)c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164823190 720362031 /nfs/dbraw/zinc/36/20/31/720362031.db2.gz BPQBHXAPRGOQOR-UHFFFAOYSA-N 1 2 453.037 2.930 20 0 JFADLO CSc1ncc(Cl)c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164823190 720362040 /nfs/dbraw/zinc/36/20/40/720362040.db2.gz BPQBHXAPRGOQOR-UHFFFAOYSA-N 1 2 453.037 2.930 20 0 JFADLO CCOc1nc(Cl)cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164824044 720364696 /nfs/dbraw/zinc/36/46/96/720364696.db2.gz HVTKXTVFUXFSGA-UHFFFAOYSA-N 1 2 450.996 2.607 20 0 JFADLO CCOc1nc(Cl)cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164824044 720364704 /nfs/dbraw/zinc/36/47/04/720364704.db2.gz HVTKXTVFUXFSGA-UHFFFAOYSA-N 1 2 450.996 2.607 20 0 JFADLO CCOC(=O)c1cc(C)cnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164821021 720369835 /nfs/dbraw/zinc/36/98/35/720369835.db2.gz WDDNWXAOKUEJQQ-UHFFFAOYSA-N 1 2 457.600 2.645 20 0 JFADLO CCOC(=O)c1cc(C)cnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164821021 720369846 /nfs/dbraw/zinc/36/98/46/720369846.db2.gz WDDNWXAOKUEJQQ-UHFFFAOYSA-N 1 2 457.600 2.645 20 0 JFADLO CCOC(=O)c1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)cc1OCC ZINC001164824038 720370388 /nfs/dbraw/zinc/37/03/88/720370388.db2.gz HQOOOBJRDNGQDX-UHFFFAOYSA-N 1 2 487.626 2.735 20 0 JFADLO CCOC(=O)c1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)cc1OCC ZINC001164824038 720370394 /nfs/dbraw/zinc/37/03/94/720370394.db2.gz HQOOOBJRDNGQDX-UHFFFAOYSA-N 1 2 487.626 2.735 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN([C@@H](F)Oc4ccc(Cl)nc4)CC3)C2=O)cs1 ZINC001164819705 720370585 /nfs/dbraw/zinc/37/05/85/720370585.db2.gz GOPGYXSBNHIQQS-LJQANCHMSA-N 1 2 453.971 2.941 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN([C@@H](F)Oc4ccc(Cl)nc4)CC3)C2=O)cs1 ZINC001164819705 720370591 /nfs/dbraw/zinc/37/05/91/720370591.db2.gz GOPGYXSBNHIQQS-LJQANCHMSA-N 1 2 453.971 2.941 20 0 JFADLO COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CCN2C ZINC001164819220 720375963 /nfs/dbraw/zinc/37/59/63/720375963.db2.gz ADWQBPNKZSSSHP-AATRIKPKSA-N 1 2 469.611 2.654 20 0 JFADLO COC(=O)/C=C/c1cc(C)cnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164819220 720375970 /nfs/dbraw/zinc/37/59/70/720375970.db2.gz ADWQBPNKZSSSHP-AATRIKPKSA-N 1 2 469.611 2.654 20 0 JFADLO COC(=O)/C=C/c1cc(C)cnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164819220 720375976 /nfs/dbraw/zinc/37/59/76/720375976.db2.gz ADWQBPNKZSSSHP-AATRIKPKSA-N 1 2 469.611 2.654 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(C)nc(-c5ccccn5)n4)CC3)C2=O)cs1 ZINC001164820975 720379731 /nfs/dbraw/zinc/37/97/31/720379731.db2.gz VFUAOTNISIMLII-UHFFFAOYSA-N 1 2 463.611 2.925 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(C)nc(-c5ccccn5)n4)CC3)C2=O)cs1 ZINC001164820975 720379737 /nfs/dbraw/zinc/37/97/37/720379737.db2.gz VFUAOTNISIMLII-UHFFFAOYSA-N 1 2 463.611 2.925 20 0 JFADLO Cc1ccc2nc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c(Cl)nc2c1 ZINC001164825683 720448275 /nfs/dbraw/zinc/44/82/75/720448275.db2.gz UGIYDXNNZHGTRH-KRWDZBQOSA-N 1 2 456.978 2.778 20 0 JFADLO CCOC(=O)c1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc2ccccc21 ZINC001164821909 720449899 /nfs/dbraw/zinc/44/98/99/720449899.db2.gz APLKWUSAELMKAB-LJQANCHMSA-N 1 2 479.581 2.598 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cccc(-c3cccc(Cl)n3)n1)C2 ZINC001164825652 720452771 /nfs/dbraw/zinc/45/27/71/720452771.db2.gz TUYAVKNOGLTINP-SFHVURJKSA-N 1 2 468.989 2.983 20 0 JFADLO CSc1nc2ccccc2c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164828836 720457605 /nfs/dbraw/zinc/45/76/05/720457605.db2.gz BBKNFYFHYZTGSV-KRWDZBQOSA-N 1 2 454.600 2.538 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)C2 ZINC001164830824 720459749 /nfs/dbraw/zinc/45/97/49/720459749.db2.gz MKHHRXCGQQAPJP-QGZVFWFLSA-N 1 2 492.020 2.876 20 0 JFADLO Cc1cccc2nc(Cl)nc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c12 ZINC001164828820 720463519 /nfs/dbraw/zinc/46/35/19/720463519.db2.gz BAKWCTOCOJEYIK-KRWDZBQOSA-N 1 2 456.978 2.778 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(NC(=O)OC(C)(C)C)cn1)C2 ZINC001164833158 720468080 /nfs/dbraw/zinc/46/80/80/720468080.db2.gz ZCODTGAOTKIMHX-GOSISDBHSA-N 1 2 472.590 2.615 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc3c(-c4ccccc4)nsc31)C2 ZINC001164832672 720472705 /nfs/dbraw/zinc/47/27/05/720472705.db2.gz VJCIQNVPVVRJQW-LJQANCHMSA-N 1 2 491.621 2.939 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc3nc(Cl)cnc3cc1F)C2 ZINC001164832315 720473840 /nfs/dbraw/zinc/47/38/40/720473840.db2.gz UCLVFOVBIRITTM-HNNXBMFYSA-N 1 2 460.941 2.608 20 0 JFADLO Cc1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164835053 720478226 /nfs/dbraw/zinc/47/82/26/720478226.db2.gz WEQSWBLHGAARAX-IBGZPJMESA-N 1 2 484.004 2.687 20 0 JFADLO Cc1cc(OCc2ccccc2)nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164831890 720478660 /nfs/dbraw/zinc/47/86/60/720478660.db2.gz HVSIOYOVTFLZMD-QFIPXVFZSA-N 1 2 478.597 2.550 20 0 JFADLO Cc1cc(-c2ccccc2F)nnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164833229 720481456 /nfs/dbraw/zinc/48/14/56/720481456.db2.gz OCUAEQUANPAEOL-IBGZPJMESA-N 1 2 466.561 2.777 20 0 JFADLO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164790010 721397514 /nfs/dbraw/zinc/39/75/14/721397514.db2.gz WBDFKDWEEHQRRT-OKILXGFUSA-N 1 2 456.950 2.536 20 0 JFADLO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164790010 721397517 /nfs/dbraw/zinc/39/75/17/721397517.db2.gz WBDFKDWEEHQRRT-OKILXGFUSA-N 1 2 456.950 2.536 20 0 JFADLO Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C1 ZINC001164801241 721605901 /nfs/dbraw/zinc/60/59/01/721605901.db2.gz ORLQANGLROCAET-MHZLTWQESA-N 1 2 471.609 2.878 20 0 JFADLO Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C1 ZINC001164801241 721605903 /nfs/dbraw/zinc/60/59/03/721605903.db2.gz ORLQANGLROCAET-MHZLTWQESA-N 1 2 471.609 2.878 20 0 JFADLO Cc1nc(N(C)C)nc2c1COC[C@]21CCN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C1 ZINC001164801240 721605960 /nfs/dbraw/zinc/60/59/60/721605960.db2.gz ORLQANGLROCAET-HHHXNRCGSA-N 1 2 471.609 2.878 20 0 JFADLO Cc1nc(N(C)C)nc2c1COC[C@]21CCN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C1 ZINC001164801240 721605961 /nfs/dbraw/zinc/60/59/61/721605961.db2.gz ORLQANGLROCAET-HHHXNRCGSA-N 1 2 471.609 2.878 20 0 JFADLO c1cnn(C[C@@H]2CC[C@]3(COCCN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C3)O2)c1 ZINC001164803147 721607341 /nfs/dbraw/zinc/60/73/41/721607341.db2.gz JDOPVVJUCOBWAP-NVQXNPDNSA-N 1 2 460.582 2.686 20 0 JFADLO c1cnn(C[C@@H]2CC[C@]3(COCCN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C3)O2)c1 ZINC001164803147 721607344 /nfs/dbraw/zinc/60/73/44/721607344.db2.gz JDOPVVJUCOBWAP-NVQXNPDNSA-N 1 2 460.582 2.686 20 0 JFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncc(C(=O)Nc3nncs3)cc1Cl)C2 ZINC001165008588 721715365 /nfs/dbraw/zinc/71/53/65/721715365.db2.gz HQHMZNVOYWKOGS-UHFFFAOYSA-N 1 2 461.983 2.681 20 0 JFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncc(C(=O)Nc3nncs3)cc1Cl)C2 ZINC001165008588 721715369 /nfs/dbraw/zinc/71/53/69/721715369.db2.gz HQHMZNVOYWKOGS-UHFFFAOYSA-N 1 2 461.983 2.681 20 0 JFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(-c3ccc(N4CCOCC4)cc3)nn1)C2 ZINC001165010051 721718287 /nfs/dbraw/zinc/71/82/87/721718287.db2.gz FEAFIAXIGVBJPK-UHFFFAOYSA-N 1 2 462.602 2.822 20 0 JFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(-c3ccc(N4CCOCC4)cc3)nn1)C2 ZINC001165010051 721718291 /nfs/dbraw/zinc/71/82/91/721718291.db2.gz FEAFIAXIGVBJPK-UHFFFAOYSA-N 1 2 462.602 2.822 20 0 JFADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)Sc1ccc(Cl)nc1)CC2 ZINC001165013966 721766120 /nfs/dbraw/zinc/76/61/20/721766120.db2.gz CFTYEBXFHFOOLL-UHFFFAOYSA-N 1 2 467.933 2.796 20 0 JFADLO c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4nccnc4C4SCCCS4)CCO3)C2)c1 ZINC001164911683 721777350 /nfs/dbraw/zinc/77/73/50/721777350.db2.gz IDMUMMSHVPTGQD-JOCHJYFZSA-N 1 2 459.641 2.848 20 0 JFADLO c1cncc(C[N@H+]2CCOC[C@]3(CN(c4nccnc4C4SCCCS4)CCO3)C2)c1 ZINC001164911683 721777354 /nfs/dbraw/zinc/77/73/54/721777354.db2.gz IDMUMMSHVPTGQD-JOCHJYFZSA-N 1 2 459.641 2.848 20 0 JFADLO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913669 721778686 /nfs/dbraw/zinc/77/86/86/721778686.db2.gz ZYDUWRCKYMSKHV-VWLOTQADSA-N 1 2 495.605 2.885 20 0 JFADLO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913669 721778689 /nfs/dbraw/zinc/77/86/89/721778689.db2.gz ZYDUWRCKYMSKHV-VWLOTQADSA-N 1 2 495.605 2.885 20 0 JFADLO COc1ccc(C(F)(F)N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)n1 ZINC001164916368 721782078 /nfs/dbraw/zinc/78/20/78/721782078.db2.gz QDHVZVBIYMQUMF-FQEVSTJZSA-N 1 2 454.905 2.791 20 0 JFADLO COc1ccc(C(F)(F)N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)n1 ZINC001164916368 721782081 /nfs/dbraw/zinc/78/20/81/721782081.db2.gz QDHVZVBIYMQUMF-FQEVSTJZSA-N 1 2 454.905 2.791 20 0 JFADLO CCOC(Cc1c(Cl)ncnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2)OCC ZINC001164915168 721783500 /nfs/dbraw/zinc/78/35/00/721783500.db2.gz JGSCBGDCGXWFMB-DEOSSOPVSA-N 1 2 492.020 2.574 20 0 JFADLO CCOC(Cc1c(Cl)ncnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2)OCC ZINC001164915168 721783504 /nfs/dbraw/zinc/78/35/04/721783504.db2.gz JGSCBGDCGXWFMB-DEOSSOPVSA-N 1 2 492.020 2.574 20 0 JFADLO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164917001 721785580 /nfs/dbraw/zinc/78/55/80/721785580.db2.gz VFIRTNMNFBDXLJ-XMMPIXPASA-N 1 2 474.005 2.766 20 0 JFADLO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164917001 721785583 /nfs/dbraw/zinc/78/55/83/721785583.db2.gz VFIRTNMNFBDXLJ-XMMPIXPASA-N 1 2 474.005 2.766 20 0 JFADLO CC(C)(C)OC(=O)Nc1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164915256 721792618 /nfs/dbraw/zinc/79/26/18/721792618.db2.gz UXCMSOFGLLSZFV-DEOSSOPVSA-N 1 2 455.559 2.931 20 0 JFADLO CC(C)(C)OC(=O)Nc1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164915256 721792620 /nfs/dbraw/zinc/79/26/20/721792620.db2.gz UXCMSOFGLLSZFV-DEOSSOPVSA-N 1 2 455.559 2.931 20 0 JFADLO Clc1cc(-c2ccncc2)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913406 721800601 /nfs/dbraw/zinc/80/06/01/721800601.db2.gz CUORAYDRLZIHKY-HSZRJFAPSA-N 1 2 452.946 2.695 20 0 JFADLO Clc1cc(-c2ccncc2)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913406 721800602 /nfs/dbraw/zinc/80/06/02/721800602.db2.gz CUORAYDRLZIHKY-HSZRJFAPSA-N 1 2 452.946 2.695 20 0 JFADLO CCCN(CCC)c1cc(N2CCO[C@]3(C2)COCCN(Cc2csc(C)n2)C3)nc[nH+]1 ZINC001164923015 721830052 /nfs/dbraw/zinc/83/00/52/721830052.db2.gz QJPKQTBGUYVGGK-HSZRJFAPSA-N 1 2 460.648 2.976 20 0 JFADLO CCCN(CCC)c1cc(N2CCO[C@]3(C2)COCCN(Cc2csc(C)n2)C3)[nH+]cn1 ZINC001164923015 721830053 /nfs/dbraw/zinc/83/00/53/721830053.db2.gz QJPKQTBGUYVGGK-HSZRJFAPSA-N 1 2 460.648 2.976 20 0 JFADLO Cc1nc(CN2CCOC[C@]3(CN(c4cc(N5CCC[C@H](C)C5)[nH+]cn4)CCO3)C2)cs1 ZINC001164923009 721833288 /nfs/dbraw/zinc/83/32/88/721833288.db2.gz QIIYCXQPHMOIOI-FDDCHVKYSA-N 1 2 458.632 2.586 20 0 JFADLO Cc1nc(CN2CCOC[C@]3(CN(c4cc(N5CCC[C@H](C)C5)nc[nH+]4)CCO3)C2)cs1 ZINC001164923009 721833289 /nfs/dbraw/zinc/83/32/89/721833289.db2.gz QIIYCXQPHMOIOI-FDDCHVKYSA-N 1 2 458.632 2.586 20 0 JFADLO CCOC(=O)c1cnc([S@](C)=O)nc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165023014 721843272 /nfs/dbraw/zinc/84/32/72/721843272.db2.gz WBMJRQCANDINAT-XIFFEERXSA-N 1 2 476.599 2.509 20 0 JFADLO O=C(C[C@@H]1OC[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC[C@@H]21)NC1CCC1 ZINC001164932733 721895441 /nfs/dbraw/zinc/89/54/41/721895441.db2.gz IBIZBYVURJGHJK-KJWPAHLWSA-N 1 2 461.610 2.935 20 0 JFADLO O=C(C[C@@H]1OC[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC[C@@H]21)NC1CCC1 ZINC001164932733 721895443 /nfs/dbraw/zinc/89/54/43/721895443.db2.gz IBIZBYVURJGHJK-KJWPAHLWSA-N 1 2 461.610 2.935 20 0 JFADLO Cc1noc(C)c1CN1CCO[C@H]2CN(c3cc(N4CCN(c5ccccc5F)CC4)[nH+]cn3)C[C@H]21 ZINC001164950952 721958520 /nfs/dbraw/zinc/95/85/20/721958520.db2.gz YGOICFISXLTLBN-RPWUZVMVSA-N 1 2 493.587 2.637 20 0 JFADLO COC(=O)c1c(Cl)cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1OC ZINC001164948133 721977774 /nfs/dbraw/zinc/97/77/74/721977774.db2.gz UAARSBIERBYDSC-UHFFFAOYSA-N 1 2 458.946 2.501 20 0 JFADLO COC(=O)c1c(Cl)cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1OC ZINC001164948133 721977781 /nfs/dbraw/zinc/97/77/81/721977781.db2.gz UAARSBIERBYDSC-UHFFFAOYSA-N 1 2 458.946 2.501 20 0 JFADLO O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@]1(F)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165055898 722016539 /nfs/dbraw/zinc/01/65/39/722016539.db2.gz NCVQRXITEONRCW-QHCPKHFHSA-N 1 2 473.984 2.752 20 0 JFADLO Cn1cc[nH+]c1CCNC(=O)Cc1csc(NC(=O)c2ccccc2I)n1 ZINC001263974227 1059504651 /nfs/dbraw/zinc/50/46/51/1059504651.db2.gz QZSAEBLYQCFQBR-UHFFFAOYSA-N 1 2 495.346 2.635 20 0 JFADLO CC(C)c1ccc(OCCC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cc1 ZINC001265019260 1059752623 /nfs/dbraw/zinc/75/26/23/1059752623.db2.gz RSSPXIKUQGGZMM-OAQYLSRUSA-N 1 2 453.587 2.991 20 0 JFADLO CC(C)c1ccc(OCCC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC001265019260 1059752647 /nfs/dbraw/zinc/75/26/47/1059752647.db2.gz RSSPXIKUQGGZMM-OAQYLSRUSA-N 1 2 453.587 2.991 20 0 JFADLO C[C@@H](CSCc1ccccc1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001265019353 1059753628 /nfs/dbraw/zinc/75/36/28/1059753628.db2.gz VDILUQCPJILJPG-PZJWPPBQSA-N 1 2 455.628 2.968 20 0 JFADLO C[C@@H](CSCc1ccccc1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001265019353 1059753653 /nfs/dbraw/zinc/75/36/53/1059753653.db2.gz VDILUQCPJILJPG-PZJWPPBQSA-N 1 2 455.628 2.968 20 0 JFADLO C[C@H](CSCc1ccccc1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001265019354 1059753695 /nfs/dbraw/zinc/75/36/95/1059753695.db2.gz VDILUQCPJILJPG-TZIWHRDSSA-N 1 2 455.628 2.968 20 0 JFADLO C[C@H](CSCc1ccccc1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001265019354 1059753715 /nfs/dbraw/zinc/75/37/15/1059753715.db2.gz VDILUQCPJILJPG-TZIWHRDSSA-N 1 2 455.628 2.968 20 0 JFADLO Cc1cccn2cc(CCNC(=O)CCn3cnc4ccc(Br)cc4c3=O)[nH+]c12 ZINC001265633947 1059901668 /nfs/dbraw/zinc/90/16/68/1059901668.db2.gz MQSZMSNHOLXHFQ-UHFFFAOYSA-N 1 2 454.328 2.864 20 0 JFADLO Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(N4CCOCC4)[nH+]c3C)CC2)cc1 ZINC001265974781 1059952245 /nfs/dbraw/zinc/95/22/45/1059952245.db2.gz APMYUKMFCQPIJT-UHFFFAOYSA-N 1 2 458.584 2.574 20 0 JFADLO C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC001279721224 1059990213 /nfs/dbraw/zinc/99/02/13/1059990213.db2.gz KXCVZKVQEIEUDD-NCYKPQTJSA-N 1 2 453.624 2.798 20 0 JFADLO CC(=O)N1CC[C@@H](CN(C)c2nnc(C(C)(C)C)n2C[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC001286844375 1061131365 /nfs/dbraw/zinc/13/13/65/1061131365.db2.gz BIUJJNDWNZKSSA-JTHBVZDNSA-N 1 2 468.646 2.954 20 0 JFADLO CC(=O)N1CCCN(c2nnc(C(C)(C)C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001286860440 1061227745 /nfs/dbraw/zinc/22/77/45/1061227745.db2.gz GSNRNUQRBRVEBL-QFIPXVFZSA-N 1 2 454.619 2.535 20 0 JFADLO CC(=O)N1CCCN(c2nnc(C(C)(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001286860440 1061227767 /nfs/dbraw/zinc/22/77/67/1061227767.db2.gz GSNRNUQRBRVEBL-QFIPXVFZSA-N 1 2 454.619 2.535 20 0 JFADLO Cc1ccc(-c2nnc(N3CC[NH+](C[C@@H]4CN(C(C)C)CCO4)CC3)n2CCOC(C)(C)C)o1 ZINC001289602162 1061248102 /nfs/dbraw/zinc/24/81/02/1061248102.db2.gz MCRYVONPHHBPTB-OAQYLSRUSA-N 1 2 474.650 2.893 20 0 JFADLO CC(=O)N1CCCN(c2nnc(Cc3ccncc3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001286866630 1061249567 /nfs/dbraw/zinc/24/95/67/1061249567.db2.gz NAWATQRQZLUVGH-JOCHJYFZSA-N 1 2 483.567 2.904 20 0 JFADLO CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CCOC[C@H]2C)[C@@H](C)C1 ZINC001286870316 1061265799 /nfs/dbraw/zinc/26/57/99/1061265799.db2.gz AIWXHDNQTSHCDT-VWPQPMDRSA-N 1 2 484.645 2.813 20 0 JFADLO CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CCOC[C@H]2C)[C@@H](C)C1 ZINC001286870316 1061265820 /nfs/dbraw/zinc/26/58/20/1061265820.db2.gz AIWXHDNQTSHCDT-VWPQPMDRSA-N 1 2 484.645 2.813 20 0 JFADLO CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001286880340 1061302701 /nfs/dbraw/zinc/30/27/01/1061302701.db2.gz QCUXXSMDYLWPDK-UXHICEINSA-N 1 2 462.545 2.769 20 0 JFADLO CC(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)[C@H](C)C1 ZINC001286883761 1061314996 /nfs/dbraw/zinc/31/49/96/1061314996.db2.gz PIZKCRUDLVOUBD-JOCHJYFZSA-N 1 2 497.688 2.557 20 0 JFADLO CC(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)[C@H](C)C1 ZINC001286883761 1061315017 /nfs/dbraw/zinc/31/50/17/1061315017.db2.gz PIZKCRUDLVOUBD-JOCHJYFZSA-N 1 2 497.688 2.557 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Br)s3)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001286888522 1061341757 /nfs/dbraw/zinc/34/17/57/1061341757.db2.gz BFDFPORYNQIYLB-HNNXBMFYSA-N 1 2 497.463 2.548 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3cc(C)cc(C)c3)nnc2N(C)CC2CC(F)C2)CC1 ZINC001286888913 1061344460 /nfs/dbraw/zinc/34/44/60/1061344460.db2.gz BXBODQDNLDIFTK-UHFFFAOYSA-N 1 2 472.609 2.822 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccncc3)nnc2N(C)Cc2ccc(OC(F)F)cc2)CC1 ZINC001286888985 1061344749 /nfs/dbraw/zinc/34/47/49/1061344749.db2.gz BDSQAJJPGVHPOG-UHFFFAOYSA-N 1 2 499.566 2.666 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCS[C@@H](C)[C@@H]2C)CC1 ZINC001286889230 1061346187 /nfs/dbraw/zinc/34/61/87/1061346187.db2.gz HIYGYDVVRYRJDS-FMWKFLBASA-N 1 2 478.707 2.691 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3c(F)cccc3F)nnc2N2CCC(C)=C(C)C2)CC1 ZINC001286889359 1061347335 /nfs/dbraw/zinc/34/73/35/1061347335.db2.gz DPUCUPKIBLROIG-UHFFFAOYSA-N 1 2 458.557 2.858 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(-c3ccc(C)o3)nnc2N2CCC(OC(C)(C)C)CC2)CC1 ZINC001286889312 1061347482 /nfs/dbraw/zinc/34/74/82/1061347482.db2.gz JCDMTWOUFWAUPW-UHFFFAOYSA-N 1 2 458.607 2.795 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccn3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001286889427 1061348083 /nfs/dbraw/zinc/34/80/83/1061348083.db2.gz GQFUVCOJLPBBCY-SFHVURJKSA-N 1 2 483.567 2.904 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3csc(C)n3)nnc2N(C)c2ccc(C)cc2)CC1 ZINC001286889435 1061348152 /nfs/dbraw/zinc/34/81/52/1061348152.db2.gz GXUZLTHBXIVMEL-UHFFFAOYSA-N 1 2 453.616 2.874 20 0 JFADLO CC(=O)N1CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)[C@H](C)C1 ZINC001286889544 1061349315 /nfs/dbraw/zinc/34/93/15/1061349315.db2.gz UGISJVTZPIXAAI-QGZVFWFLSA-N 1 2 467.549 2.563 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3ccccc3F)nnc2N2C[C@@H](C)CC[C@@H]2C)CC1 ZINC001286890568 1061355675 /nfs/dbraw/zinc/35/56/75/1061355675.db2.gz SMQZCXRXCVYVBT-OALUTQOASA-N 1 2 458.582 2.785 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(Cl)cc3)nnc2N2CCC(C)CC2)CC1 ZINC001286890698 1061356509 /nfs/dbraw/zinc/35/65/09/1061356509.db2.gz VEPYOYZLDRXHND-UHFFFAOYSA-N 1 2 461.010 2.911 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccc(Cl)cc3)nnc2N(C)[C@@H]2CCSC2)CC1 ZINC001286890876 1061356937 /nfs/dbraw/zinc/35/69/37/1061356937.db2.gz UKMAGCZXTJBBKM-HXUWFJFHSA-N 1 2 463.051 2.628 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(CC(C)C)nnc2N(C)Cc2ccccc2N2CCCC2)CC1 ZINC001286890894 1061357137 /nfs/dbraw/zinc/35/71/37/1061357137.db2.gz UQZWQXMFTZBMGE-UHFFFAOYSA-N 1 2 467.662 2.877 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3ccccc3F)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001286891061 1061358780 /nfs/dbraw/zinc/35/87/80/1061358780.db2.gz YZGNITFOAUHIAV-UHFFFAOYSA-N 1 2 480.535 2.642 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001286891266 1061359299 /nfs/dbraw/zinc/35/92/99/1061359299.db2.gz WUPBOGVOAQKCAL-RBUKOAKNSA-N 1 2 488.608 2.725 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(-c3ccc(C)o3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC001286891421 1061359627 /nfs/dbraw/zinc/35/96/27/1061359627.db2.gz XCCVIGZOCGWUBZ-GOSISDBHSA-N 1 2 484.523 2.558 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3c(F)cccc3F)nnc2N2CCCC(C)(C)C2)CC1 ZINC001286891385 1061360051 /nfs/dbraw/zinc/36/00/51/1061360051.db2.gz YZAZTVTYENNXTI-UHFFFAOYSA-N 1 2 460.573 2.938 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCCCO3)nnc2N(C)CCOc2cccc(Cl)c2)CC1 ZINC001286892590 1061365683 /nfs/dbraw/zinc/36/56/83/1061365683.db2.gz XNTHDSBPLZYQGM-QFIPXVFZSA-N 1 2 491.036 2.852 20 0 JFADLO Cc1ccc(OCc2nnc(N(C)Cc3cnccn3)n2C[C@@H](C)[NH+]2CCOCC2)cc1C ZINC001289782342 1061405706 /nfs/dbraw/zinc/40/57/06/1061405706.db2.gz GZCVUSGOIZQJPL-HXUWFJFHSA-N 1 2 451.575 2.621 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2C[C@H](C)[NH+]2CCOCC2)cc1C ZINC001289805800 1061444769 /nfs/dbraw/zinc/44/47/69/1061444769.db2.gz TZIMLWGVOJDFRN-QFIPXVFZSA-N 1 2 498.672 2.936 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[N@H+]2CCOC[C@@H]2C)cc1C ZINC001289828982 1061505314 /nfs/dbraw/zinc/50/53/14/1061505314.db2.gz RMLWBRJUQFRYQJ-AZUAARDMSA-N 1 2 483.535 2.962 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1C ZINC001289828982 1061505330 /nfs/dbraw/zinc/50/53/30/1061505330.db2.gz RMLWBRJUQFRYQJ-AZUAARDMSA-N 1 2 483.535 2.962 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCOC[C@@H]3C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1C ZINC001289832443 1061508275 /nfs/dbraw/zinc/50/82/75/1061508275.db2.gz WOVZGSMXLVDPRI-NRFANRHFSA-N 1 2 456.635 2.725 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCOC[C@@H]3C)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1C ZINC001289832443 1061508293 /nfs/dbraw/zinc/50/82/93/1061508293.db2.gz WOVZGSMXLVDPRI-NRFANRHFSA-N 1 2 456.635 2.725 20 0 JFADLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C1 ZINC001289834673 1061512168 /nfs/dbraw/zinc/51/21/68/1061512168.db2.gz FWPJAGZYKLBZNQ-IBGZPJMESA-N 1 2 459.616 2.840 20 0 JFADLO Cc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCCOc1ccc(C)cc1 ZINC001289840600 1061515378 /nfs/dbraw/zinc/51/53/78/1061515378.db2.gz FOAGRDVWVOCMEV-DEOSSOPVSA-N 1 2 456.635 2.595 20 0 JFADLO CC(=O)NCC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001286932247 1061560930 /nfs/dbraw/zinc/56/09/30/1061560930.db2.gz PNSDVCDBQKWEEE-OALUTQOASA-N 1 2 488.608 2.630 20 0 JFADLO CC(=O)NCC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001286932247 1061560947 /nfs/dbraw/zinc/56/09/47/1061560947.db2.gz PNSDVCDBQKWEEE-OALUTQOASA-N 1 2 488.608 2.630 20 0 JFADLO CC(=O)NCC1CCN(c2nnc(CC(C)C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001286933921 1061567673 /nfs/dbraw/zinc/56/76/73/1061567673.db2.gz CYABNOWPZHKFED-XMMPIXPASA-N 1 2 468.646 2.730 20 0 JFADLO CC(=O)NCC1CCN(c2nnc(CC(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001286933921 1061567692 /nfs/dbraw/zinc/56/76/92/1061567692.db2.gz CYABNOWPZHKFED-XMMPIXPASA-N 1 2 468.646 2.730 20 0 JFADLO Cc1cccc(C(=O)NCCn2c(-c3ccc(Cl)nc3)nnc2N(C)CC[NH+]2CCOCC2)c1 ZINC001289889895 1061574052 /nfs/dbraw/zinc/57/40/52/1061574052.db2.gz LKFHURXHKWMNSH-UHFFFAOYSA-N 1 2 484.004 2.500 20 0 JFADLO CCC[C@H]1CN(c2nnc(CC3CCCC3)n2C[C@H]2CCCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC001294095990 1061574729 /nfs/dbraw/zinc/57/47/29/1061574729.db2.gz QBWHWERWLCYLBC-YADHBBJMSA-N 1 2 481.707 2.773 20 0 JFADLO CCC[C@H]1CN(c2nnc(CC3CCCC3)n2C[C@H]2CCCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC001294095990 1061574743 /nfs/dbraw/zinc/57/47/43/1061574743.db2.gz QBWHWERWLCYLBC-YADHBBJMSA-N 1 2 481.707 2.773 20 0 JFADLO CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C[C@@H]1[C@H]1CCCO1 ZINC001294156647 1061640958 /nfs/dbraw/zinc/64/09/58/1061640958.db2.gz MIEYWWGIKXFRRD-DOIPELPJSA-N 1 2 451.608 2.504 20 0 JFADLO CC(=O)NCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001286950072 1061677735 /nfs/dbraw/zinc/67/77/35/1061677735.db2.gz BDPUCTOPJWRMGT-UHFFFAOYSA-N 1 2 495.672 2.513 20 0 JFADLO Cc1cccc(-c2nnc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)n2CC[S@](=O)C(C)(C)C)n1 ZINC001289972110 1061678539 /nfs/dbraw/zinc/67/85/39/1061678539.db2.gz IJZRHRJWPDGFQZ-KGMZSHBCSA-N 1 2 474.675 2.744 20 0 JFADLO Cc1cccc(-c2nnc(N3CC[NH+](CC(=O)N4CCCC[C@@H]4C)CC3)n2CC(F)(F)F)n1 ZINC001289984018 1061707407 /nfs/dbraw/zinc/70/74/07/1061707407.db2.gz XIJBSQTWDWCPEY-KRWDZBQOSA-N 1 2 465.524 2.734 20 0 JFADLO Cc1cccc(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(C)(C)OC(C)(C)C2)[nH+]1 ZINC001290002499 1061727967 /nfs/dbraw/zinc/72/79/67/1061727967.db2.gz HDLGRHGSTUFXFP-QGZVFWFLSA-N 1 2 464.636 2.618 20 0 JFADLO CC(=O)NCCCn1c(C2CCC2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001286959430 1061729165 /nfs/dbraw/zinc/72/91/65/1061729165.db2.gz DYBQPYYYGQQBRF-UHFFFAOYSA-N 1 2 461.010 2.926 20 0 JFADLO Cc1cccc(CCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCS(=O)(=O)CC2)[nH+]1 ZINC001290007925 1061732045 /nfs/dbraw/zinc/73/20/45/1061732045.db2.gz NCTNGRDAEXJSDP-UHFFFAOYSA-N 1 2 479.404 2.607 20 0 JFADLO Cc1nc(Cc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CCCc2cccc(C)[nH+]2)cs1 ZINC001290010884 1061735046 /nfs/dbraw/zinc/73/50/46/1061735046.db2.gz YQBVVWKHRGINHP-IBGZPJMESA-N 1 2 460.629 2.593 20 0 JFADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CC(F)(F)F)CC1 ZINC001286972019 1061751568 /nfs/dbraw/zinc/75/15/68/1061751568.db2.gz DDAMXPJAARAEAO-ZDUSSCGKSA-N 1 2 456.900 2.950 20 0 JFADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC(F)F)CC1 ZINC001286971974 1061751631 /nfs/dbraw/zinc/75/16/31/1061751631.db2.gz MIPJDVYNVMKSHY-MRXNPFEDSA-N 1 2 497.978 2.756 20 0 JFADLO Cc1cccc(OCc2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@@H](C)[NH+]2CCOCC2)c1 ZINC001290062684 1061785585 /nfs/dbraw/zinc/78/55/85/1061785585.db2.gz DXKYNDSZRRRMPH-OAQYLSRUSA-N 1 2 484.645 2.581 20 0 JFADLO C[C@H]([C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CC[N@H+]1CC=CCC1)S(C)(=O)=O ZINC001286976606 1061785666 /nfs/dbraw/zinc/78/56/66/1061785666.db2.gz JIONEQXJKWQCRE-ZWKOTPCHSA-N 1 2 465.595 2.516 20 0 JFADLO C[C@H]([C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CC[N@@H+]1CC=CCC1)S(C)(=O)=O ZINC001286976606 1061785678 /nfs/dbraw/zinc/78/56/78/1061785678.db2.gz JIONEQXJKWQCRE-ZWKOTPCHSA-N 1 2 465.595 2.516 20 0 JFADLO Cc1cccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCS(=O)(=O)C(C)(C)C)c1 ZINC001290071209 1061797047 /nfs/dbraw/zinc/79/70/47/1061797047.db2.gz JWMLUTRABOPVTD-UHFFFAOYSA-N 1 2 463.648 2.909 20 0 JFADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001286979704 1061808495 /nfs/dbraw/zinc/80/84/95/1061808495.db2.gz ZFQSGINSSYJZHG-IAGOWNOFSA-N 1 2 474.606 2.775 20 0 JFADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCCO2)n1CCc1cn2ccccc2[nH+]1 ZINC001286980702 1061815317 /nfs/dbraw/zinc/81/53/17/1061815317.db2.gz LNZGBEMJWLNSLT-ZIFCJYIRSA-N 1 2 460.604 2.668 20 0 JFADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCCO2)n1CCc1cn2ccccc2[nH+]1 ZINC001286980701 1061815381 /nfs/dbraw/zinc/81/53/81/1061815381.db2.gz LNZGBEMJWLNSLT-ZHALLVOQSA-N 1 2 460.604 2.668 20 0 JFADLO CC(C)(C)C(=O)NCCn1c(CCc2ccccc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001286986426 1061862268 /nfs/dbraw/zinc/86/22/68/1061862268.db2.gz OUINGTHXDXXMQB-UHFFFAOYSA-N 1 2 461.614 2.947 20 0 JFADLO Cc1ccccc1Cc1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001290170932 1061914435 /nfs/dbraw/zinc/91/44/35/1061914435.db2.gz MLOPFYIRXDHGIP-JOCHJYFZSA-N 1 2 468.646 2.593 20 0 JFADLO CC(C)(C)[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001287015921 1061950790 /nfs/dbraw/zinc/95/07/90/1061950790.db2.gz ZNCOQSPHCDHWSF-GOSISDBHSA-N 1 2 455.607 2.909 20 0 JFADLO CC(C)(C)[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001287015921 1061950822 /nfs/dbraw/zinc/95/08/22/1061950822.db2.gz ZNCOQSPHCDHWSF-GOSISDBHSA-N 1 2 455.607 2.909 20 0 JFADLO CC(C)(C)Cc1nnc(N(CCS(C)(=O)=O)C2CC2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001287020746 1061960127 /nfs/dbraw/zinc/96/01/27/1061960127.db2.gz WQTRSLWVGGWVPM-UHFFFAOYSA-N 1 2 459.660 2.938 20 0 JFADLO CC(C)(C)Cc1nnc(N(CCS(C)(=O)=O)C2CC2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001287020746 1061960139 /nfs/dbraw/zinc/96/01/39/1061960139.db2.gz WQTRSLWVGGWVPM-UHFFFAOYSA-N 1 2 459.660 2.938 20 0 JFADLO CCCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001294400628 1061968727 /nfs/dbraw/zinc/96/87/27/1061968727.db2.gz XFYRRYNNNHLUII-IBGZPJMESA-N 1 2 490.052 2.943 20 0 JFADLO CC(C)(C)Cc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001287029470 1061978532 /nfs/dbraw/zinc/97/85/32/1061978532.db2.gz BPHGFXVWMHCZIQ-UHFFFAOYSA-N 1 2 471.631 2.572 20 0 JFADLO O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001290267645 1061998269 /nfs/dbraw/zinc/99/82/69/1061998269.db2.gz PPSONRZMNWMXCB-GOSISDBHSA-N 1 2 456.490 2.915 20 0 JFADLO O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001290267645 1061998286 /nfs/dbraw/zinc/99/82/86/1061998286.db2.gz PPSONRZMNWMXCB-GOSISDBHSA-N 1 2 456.490 2.915 20 0 JFADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1 ZINC001290268329 1061998936 /nfs/dbraw/zinc/99/89/36/1061998936.db2.gz ZJGQHIOBBVMVBC-JOCHJYFZSA-N 1 2 453.558 2.878 20 0 JFADLO CC(C)(C)Cc1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1CCCn1cnnn1 ZINC001287034839 1061999515 /nfs/dbraw/zinc/99/95/15/1061999515.db2.gz YPHWSSSVYGJYIC-UHFFFAOYSA-N 1 2 458.014 2.919 20 0 JFADLO CC(C)(C)[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2cccc(F)c2)CC1 ZINC001287043799 1062017080 /nfs/dbraw/zinc/01/70/80/1062017080.db2.gz MATXWVFULBJKGP-IBGZPJMESA-N 1 2 463.623 2.873 20 0 JFADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)CCC2 ZINC001290287554 1062017609 /nfs/dbraw/zinc/01/76/09/1062017609.db2.gz OAMZVRBVNONOOA-RTBURBONSA-N 1 2 484.649 2.630 20 0 JFADLO CCCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001294498400 1062036502 /nfs/dbraw/zinc/03/65/02/1062036502.db2.gz UTEUXRVJKZJAPN-RBUKOAKNSA-N 1 2 466.627 2.544 20 0 JFADLO CCCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001294498400 1062036527 /nfs/dbraw/zinc/03/65/27/1062036527.db2.gz UTEUXRVJKZJAPN-RBUKOAKNSA-N 1 2 466.627 2.544 20 0 JFADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)CC1 ZINC001294503141 1062038579 /nfs/dbraw/zinc/03/85/79/1062038579.db2.gz UPTMSUJNLZYBDY-GOSISDBHSA-N 1 2 459.568 2.505 20 0 JFADLO CC(C)OC(=O)CCNC(=O)[C@H](Cc1cn(Cc2ccccc2)c[nH+]1)NC(=O)OC(C)(C)C ZINC001290336846 1062056816 /nfs/dbraw/zinc/05/68/16/1062056816.db2.gz PCBJODKLHIKGTD-FQEVSTJZSA-N 1 2 458.559 2.825 20 0 JFADLO CCCN(CCC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001294564509 1062081163 /nfs/dbraw/zinc/08/11/63/1062081163.db2.gz LWQOREFQVHLPBB-PMACEKPBSA-N 1 2 480.654 2.934 20 0 JFADLO CCCN(CCC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001294564509 1062081188 /nfs/dbraw/zinc/08/11/88/1062081188.db2.gz LWQOREFQVHLPBB-PMACEKPBSA-N 1 2 480.654 2.934 20 0 JFADLO CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNc2cccc[nH+]2)C1 ZINC001287057801 1062083109 /nfs/dbraw/zinc/08/31/09/1062083109.db2.gz RHPVJFNFNMGVPW-ROUUACIJSA-N 1 2 484.605 2.620 20 0 JFADLO Cc1ccc(-n2nc(C(=O)N3CC[N@@H+](C)C[C@H]3CNC(=O)OC(C)(C)C)c3c2CCC3)cc1 ZINC001294572146 1062085324 /nfs/dbraw/zinc/08/53/24/1062085324.db2.gz IGAGFGOGVCAOQT-LJQANCHMSA-N 1 2 453.587 2.950 20 0 JFADLO Cc1ccc(-n2nc(C(=O)N3CC[N@H+](C)C[C@H]3CNC(=O)OC(C)(C)C)c3c2CCC3)cc1 ZINC001294572146 1062085347 /nfs/dbraw/zinc/08/53/47/1062085347.db2.gz IGAGFGOGVCAOQT-LJQANCHMSA-N 1 2 453.587 2.950 20 0 JFADLO Cc1nc(SC(F)F)sc1CC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001294573371 1062087003 /nfs/dbraw/zinc/08/70/03/1062087003.db2.gz PKODFUMBXUXUHI-GFCCVEGCSA-N 1 2 450.577 2.976 20 0 JFADLO Cc1nc(SC(F)F)sc1CC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001294573371 1062087025 /nfs/dbraw/zinc/08/70/25/1062087025.db2.gz PKODFUMBXUXUHI-GFCCVEGCSA-N 1 2 450.577 2.976 20 0 JFADLO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001287059767 1062089766 /nfs/dbraw/zinc/08/97/66/1062089766.db2.gz YATNMYVMOAVVRF-RTBURBONSA-N 1 2 478.638 2.734 20 0 JFADLO CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001287059765 1062089814 /nfs/dbraw/zinc/08/98/14/1062089814.db2.gz YATNMYVMOAVVRF-RBUKOAKNSA-N 1 2 478.638 2.734 20 0 JFADLO CCCN(CCc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001294580345 1062091430 /nfs/dbraw/zinc/09/14/30/1062091430.db2.gz PHQUWVDZOPBYTC-LJQANCHMSA-N 1 2 463.673 2.963 20 0 JFADLO CCCN(CCc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CC=CCC1 ZINC001294580345 1062091450 /nfs/dbraw/zinc/09/14/50/1062091450.db2.gz PHQUWVDZOPBYTC-LJQANCHMSA-N 1 2 463.673 2.963 20 0 JFADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1 ZINC001294658418 1062205372 /nfs/dbraw/zinc/20/53/72/1062205372.db2.gz BOAWFFDDUGTRLB-KDHISYJLSA-N 1 2 456.612 2.914 20 0 JFADLO Cc1nc(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)n[nH]1 ZINC001290447672 1062222437 /nfs/dbraw/zinc/22/24/37/1062222437.db2.gz KOQZIYSADKBVMV-KRWDZBQOSA-N 1 2 486.596 2.773 20 0 JFADLO Cc1nc(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)n[nH]1 ZINC001290447672 1062222456 /nfs/dbraw/zinc/22/24/56/1062222456.db2.gz KOQZIYSADKBVMV-KRWDZBQOSA-N 1 2 486.596 2.773 20 0 JFADLO Cc1n[nH]c(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC001290447672 1062222480 /nfs/dbraw/zinc/22/24/80/1062222480.db2.gz KOQZIYSADKBVMV-KRWDZBQOSA-N 1 2 486.596 2.773 20 0 JFADLO Cc1n[nH]c(CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)n1 ZINC001290447672 1062222502 /nfs/dbraw/zinc/22/25/02/1062222502.db2.gz KOQZIYSADKBVMV-KRWDZBQOSA-N 1 2 486.596 2.773 20 0 JFADLO CC(C)(C)OCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001287078591 1062230172 /nfs/dbraw/zinc/23/01/72/1062230172.db2.gz DCRCDRFDDHPQNI-UHFFFAOYSA-N 1 2 476.025 2.553 20 0 JFADLO O=C(COc1ccc(C2SCCCS2)cc1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001294690400 1062249502 /nfs/dbraw/zinc/24/95/02/1062249502.db2.gz BAPKKVGDUMOZJS-HXUWFJFHSA-N 1 2 452.642 2.884 20 0 JFADLO CC(C)(C)S(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001287084550 1062252219 /nfs/dbraw/zinc/25/22/19/1062252219.db2.gz RIHUODKOHASPEB-LJQANCHMSA-N 1 2 463.623 2.896 20 0 JFADLO CC(C)(C)S(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001287084550 1062252238 /nfs/dbraw/zinc/25/22/38/1062252238.db2.gz RIHUODKOHASPEB-LJQANCHMSA-N 1 2 463.623 2.896 20 0 JFADLO CC(C)(C)[S@](=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001287089579 1062277501 /nfs/dbraw/zinc/27/75/01/1062277501.db2.gz UACIXHPLQQBCIM-ZUQCGGBESA-N 1 2 463.623 2.790 20 0 JFADLO CC(C)(C)[S@@](=O)CCn1c(CC2CCCC2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001287089782 1062279170 /nfs/dbraw/zinc/27/91/70/1062279170.db2.gz TXYQNUGWPQXFQN-UMSFTDKQSA-N 1 2 492.734 2.693 20 0 JFADLO CC(C)(C)[S@@](=O)CCn1c(CC2CCCC2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001287089782 1062279190 /nfs/dbraw/zinc/27/91/90/1062279190.db2.gz TXYQNUGWPQXFQN-UMSFTDKQSA-N 1 2 492.734 2.693 20 0 JFADLO C[C@H](NC(=O)c1cnc(CC2CCN(C(=O)OC(C)(C)C)CC2)s1)[C@H]1C[N@H+](C)CCO1 ZINC001294741997 1062328393 /nfs/dbraw/zinc/32/83/93/1062328393.db2.gz NSTCKNZLVYIRHB-DOTOQJQBSA-N 1 2 452.621 2.782 20 0 JFADLO C[C@H](NC(=O)c1cnc(CC2CCN(C(=O)OC(C)(C)C)CC2)s1)[C@H]1C[N@@H+](C)CCO1 ZINC001294741997 1062328418 /nfs/dbraw/zinc/32/84/18/1062328418.db2.gz NSTCKNZLVYIRHB-DOTOQJQBSA-N 1 2 452.621 2.782 20 0 JFADLO CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001290540752 1062340057 /nfs/dbraw/zinc/34/00/57/1062340057.db2.gz DWHMAJNUXKCDCR-KRWDZBQOSA-N 1 2 459.595 2.587 20 0 JFADLO CSc1ccccc1NC(=O)CN(C)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC001290569070 1062371360 /nfs/dbraw/zinc/37/13/60/1062371360.db2.gz VHUNFNWMMRBKRA-IBGZPJMESA-N 1 2 457.600 2.836 20 0 JFADLO CSc1ccccc1NC(=O)CN(C)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC001290569070 1062371387 /nfs/dbraw/zinc/37/13/87/1062371387.db2.gz VHUNFNWMMRBKRA-IBGZPJMESA-N 1 2 457.600 2.836 20 0 JFADLO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCCNc2cccc[nH+]2)C1 ZINC001287122366 1062372492 /nfs/dbraw/zinc/37/24/92/1062372492.db2.gz FSPMKYCCCJOQQJ-IBGZPJMESA-N 1 2 465.606 2.564 20 0 JFADLO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(Cc3ccsc3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001287124533 1062382446 /nfs/dbraw/zinc/38/24/46/1062382446.db2.gz IPNCVVODHIAQNI-PZJWPPBQSA-N 1 2 474.675 2.640 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@@H](c2ccsc2)[NH+](C)C)n1 ZINC001290586341 1062396171 /nfs/dbraw/zinc/39/61/71/1062396171.db2.gz KPPSDLUTHGSNDK-HBFSDRIKSA-N 1 2 493.703 2.762 20 0 JFADLO CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(Cl)c2)n1CC1([NH+]2CCOCC2)CC1 ZINC001287131460 1062423922 /nfs/dbraw/zinc/42/39/22/1062423922.db2.gz QXQLPLCKTLPZHC-UHFFFAOYSA-N 1 2 461.010 2.672 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2CC[N@H+]2CCOC[C@H]2C)n1 ZINC001290603797 1062435953 /nfs/dbraw/zinc/43/59/53/1062435953.db2.gz FBYGLZJWJUPZIJ-MRXNPFEDSA-N 1 2 498.579 2.972 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2CC[N@@H+]2CCOC[C@H]2C)n1 ZINC001290603797 1062435964 /nfs/dbraw/zinc/43/59/64/1062435964.db2.gz FBYGLZJWJUPZIJ-MRXNPFEDSA-N 1 2 498.579 2.972 20 0 JFADLO CCCNC(=O)[C@@H]1CCCN(c2nnc(COCC)n2Cc2ccc(N3CCCC3)[nH+]c2)C1 ZINC001294812705 1062486054 /nfs/dbraw/zinc/48/60/54/1062486054.db2.gz WSPFSKAQSLNOMV-HXUWFJFHSA-N 1 2 455.607 2.601 20 0 JFADLO CCCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC001294833907 1062522944 /nfs/dbraw/zinc/52/29/44/1062522944.db2.gz JNPFXPZZTMSOHH-UHFFFAOYSA-N 1 2 451.575 2.791 20 0 JFADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC001290667820 1062577865 /nfs/dbraw/zinc/57/78/65/1062577865.db2.gz UHJSAGPRKFKTAV-LEWJYISDSA-N 1 2 454.575 2.686 20 0 JFADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC001290667820 1062577889 /nfs/dbraw/zinc/57/78/89/1062577889.db2.gz UHJSAGPRKFKTAV-LEWJYISDSA-N 1 2 454.575 2.686 20 0 JFADLO CC(C)c1nc([C@H]2CN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCOC[C@@H]3C)CCO2)no1 ZINC001287171412 1062588607 /nfs/dbraw/zinc/58/86/07/1062588607.db2.gz WWWPGBROTNAZKQ-ZWKOTPCHSA-N 1 2 461.611 2.672 20 0 JFADLO CC(C)c1nc([C@H]2CN(c3nnc(CC(C)(C)C)n3CC[N@H+]3CCOC[C@@H]3C)CCO2)no1 ZINC001287171412 1062588629 /nfs/dbraw/zinc/58/86/29/1062588629.db2.gz WWWPGBROTNAZKQ-ZWKOTPCHSA-N 1 2 461.611 2.672 20 0 JFADLO CC(C)c1ncc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNc2cccc[nH+]2)cn1 ZINC001287174723 1062598865 /nfs/dbraw/zinc/59/88/65/1062598865.db2.gz SZJRRNDJYXDSNZ-LJQANCHMSA-N 1 2 484.630 2.627 20 0 JFADLO CCCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001294887284 1062606633 /nfs/dbraw/zinc/60/66/33/1062606633.db2.gz GSNMKHDISDJKGH-UHFFFAOYSA-N 1 2 479.585 2.512 20 0 JFADLO COc1ccc(C(=O)NCc2ccn3cc[nH+]c3c2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC001294897631 1062629910 /nfs/dbraw/zinc/62/99/10/1062629910.db2.gz QJAOSYFEFFRFTA-IAGOWNOFSA-N 1 2 456.568 2.940 20 0 JFADLO CCCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001294911507 1062663834 /nfs/dbraw/zinc/66/38/34/1062663834.db2.gz AXRKXZUVVUNJJV-UHFFFAOYSA-N 1 2 463.586 2.722 20 0 JFADLO Cc1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001290790030 1062695450 /nfs/dbraw/zinc/69/54/50/1062695450.db2.gz UCJXYQNZYCUABE-UHFFFAOYSA-N 1 2 485.633 2.950 20 0 JFADLO CC(C)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1CCNC(=O)c1ccn[nH]1 ZINC001287218650 1062700125 /nfs/dbraw/zinc/70/01/25/1062700125.db2.gz FDWPHDAXVNWSNU-UHFFFAOYSA-N 1 2 456.982 2.530 20 0 JFADLO Cc1nnc(N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001290824259 1062717922 /nfs/dbraw/zinc/71/79/22/1062717922.db2.gz UPGFTMQAUXUWSY-AZUAARDMSA-N 1 2 485.633 2.996 20 0 JFADLO C[C@H]1CCN(C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)C[C@H]1n1cc[nH+]c1 ZINC001294952134 1062738167 /nfs/dbraw/zinc/73/81/67/1062738167.db2.gz AIYIZTZKNYZANZ-HNAYVOBHSA-N 1 2 458.360 2.826 20 0 JFADLO Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1cccc(C(F)(F)F)c1 ZINC001290856301 1062739467 /nfs/dbraw/zinc/73/94/67/1062739467.db2.gz DVLVDHBNPHNCBS-MRXNPFEDSA-N 1 2 450.509 2.787 20 0 JFADLO Cc1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001290858974 1062743593 /nfs/dbraw/zinc/74/35/93/1062743593.db2.gz YDLWVHHQWIFUDA-YLJYHZDGSA-N 1 2 452.525 2.733 20 0 JFADLO CCCO[C@@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001294999662 1062785428 /nfs/dbraw/zinc/78/54/28/1062785428.db2.gz YXKAPGPMVZEYQO-SGIRGMQISA-N 1 2 479.666 2.825 20 0 JFADLO CCCO[C@@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001294999662 1062785448 /nfs/dbraw/zinc/78/54/48/1062785448.db2.gz YXKAPGPMVZEYQO-SGIRGMQISA-N 1 2 479.666 2.825 20 0 JFADLO CC(C)Cc1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1C[C@]1(C)CN(C)C1=O ZINC001287359094 1062828022 /nfs/dbraw/zinc/82/80/22/1062828022.db2.gz DHOYQHRETQHKFD-JPYJTQIMSA-N 1 2 460.648 2.526 20 0 JFADLO O=C(NCc1ccnc(OCC(F)(F)F)c1)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC001290954277 1062829538 /nfs/dbraw/zinc/82/95/38/1062829538.db2.gz NEOVYDITQRNEIS-KRWDZBQOSA-N 1 2 453.465 2.670 20 0 JFADLO O=C(NCc1ccnc(OCC(F)(F)F)c1)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC001290954277 1062829562 /nfs/dbraw/zinc/82/95/62/1062829562.db2.gz NEOVYDITQRNEIS-KRWDZBQOSA-N 1 2 453.465 2.670 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc([C@H]4CCCCO4)n3CCN(C)CC(F)(F)F)CC2)on1 ZINC001290970030 1062843541 /nfs/dbraw/zinc/84/35/41/1062843541.db2.gz NYYZREQLEFFGMR-GOSISDBHSA-N 1 2 471.528 2.632 20 0 JFADLO COc1cccc(C[NH+]2CCN(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)CC2)c1 ZINC001287436685 1062870690 /nfs/dbraw/zinc/87/06/90/1062870690.db2.gz PZWBWNVMFKQMSZ-UHFFFAOYSA-N 1 2 457.596 2.828 20 0 JFADLO CCN(C)C(=O)Cn1c(-c2ccccn2)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC001295065748 1062883595 /nfs/dbraw/zinc/88/35/95/1062883595.db2.gz GTMVWXHPLDWJJK-UHFFFAOYSA-N 1 2 462.602 2.956 20 0 JFADLO CC(C)Cc1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001287448608 1062884719 /nfs/dbraw/zinc/88/47/19/1062884719.db2.gz DWOXXMIPMASPMQ-GOSISDBHSA-N 1 2 460.579 2.863 20 0 JFADLO CC(C)Cc1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001287459533 1062896919 /nfs/dbraw/zinc/89/69/19/1062896919.db2.gz FTBDNNZVYBMKOM-HXUWFJFHSA-N 1 2 483.661 2.840 20 0 JFADLO CCN(C)C(=O)Cn1c(Cc2cccnc2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001295074019 1062898840 /nfs/dbraw/zinc/89/88/40/1062898840.db2.gz HRNMCHQZLXXXJA-UHFFFAOYSA-N 1 2 468.005 2.718 20 0 JFADLO CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001287461701 1062900351 /nfs/dbraw/zinc/90/03/51/1062900351.db2.gz AQSQSFWDIHOAMA-LJQANCHMSA-N 1 2 475.037 2.813 20 0 JFADLO CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001287461701 1062900379 /nfs/dbraw/zinc/90/03/79/1062900379.db2.gz AQSQSFWDIHOAMA-LJQANCHMSA-N 1 2 475.037 2.813 20 0 JFADLO CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001287462882 1062903680 /nfs/dbraw/zinc/90/36/80/1062903680.db2.gz UEPUWPDLXUJZIN-GOSISDBHSA-N 1 2 493.027 2.952 20 0 JFADLO CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001287462882 1062903703 /nfs/dbraw/zinc/90/37/03/1062903703.db2.gz UEPUWPDLXUJZIN-GOSISDBHSA-N 1 2 493.027 2.952 20 0 JFADLO CCN(C)C(=O)Cn1c(Cc2ccccn2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001295076094 1062903880 /nfs/dbraw/zinc/90/38/80/1062903880.db2.gz SXLBKHZQMDPABX-UHFFFAOYSA-N 1 2 468.005 2.718 20 0 JFADLO CC(C)Cc1nnc(N2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001287468684 1062915574 /nfs/dbraw/zinc/91/55/74/1062915574.db2.gz HQWRPYBTRAYAMF-UXHICEINSA-N 1 2 474.654 2.587 20 0 JFADLO CC(C)Cc1nnc(N2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001287468684 1062915591 /nfs/dbraw/zinc/91/55/91/1062915591.db2.gz HQWRPYBTRAYAMF-UXHICEINSA-N 1 2 474.654 2.587 20 0 JFADLO CC(C)Cc1nnc(N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n1CCCC(F)(F)F ZINC001287469360 1062916652 /nfs/dbraw/zinc/91/66/52/1062916652.db2.gz PRKAVCPZJABBFO-UHFFFAOYSA-N 1 2 482.555 2.772 20 0 JFADLO CC(C)Cc1nnc(N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1CCCC(F)(F)F ZINC001287469360 1062916673 /nfs/dbraw/zinc/91/66/73/1062916673.db2.gz PRKAVCPZJABBFO-UHFFFAOYSA-N 1 2 482.555 2.772 20 0 JFADLO O=C(NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cc(-n2cc[nH+]c2)ccc1O ZINC001295142554 1062960494 /nfs/dbraw/zinc/96/04/94/1062960494.db2.gz VRYQFCZUHXYNMV-UHFFFAOYSA-N 1 2 455.414 2.680 20 0 JFADLO CC(C)CCCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001287567541 1062989166 /nfs/dbraw/zinc/98/91/66/1062989166.db2.gz RDGBFLVQOGGQCY-DHIUTWEWSA-N 1 2 462.683 2.840 20 0 JFADLO C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)C1=O ZINC001295168332 1062991328 /nfs/dbraw/zinc/99/13/28/1062991328.db2.gz GGXMKIQAZDVGAQ-DEOSSOPVSA-N 1 2 453.518 2.685 20 0 JFADLO CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1cccs1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295206498 1063022675 /nfs/dbraw/zinc/02/26/75/1063022675.db2.gz OFIQAADKICPYNX-SQNIBIBYSA-N 1 2 467.661 2.550 20 0 JFADLO CC(C)CN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1)C(C)C ZINC001287706076 1063043445 /nfs/dbraw/zinc/04/34/45/1063043445.db2.gz GGIXNXJCCKDSFS-CTNGQTDRSA-N 1 2 490.674 2.719 20 0 JFADLO CC(C)NC(=O)c1nnc(N2CCCC[C@H](C)C2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001291090630 1063050222 /nfs/dbraw/zinc/05/02/22/1063050222.db2.gz ZBMTUEKBFLCQRC-FQEVSTJZSA-N 1 2 454.619 2.923 20 0 JFADLO CC(C)CN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1=O ZINC001287768814 1063095119 /nfs/dbraw/zinc/09/51/19/1063095119.db2.gz KQDSJAOBXJZWPO-YLJYHZDGSA-N 1 2 476.572 2.668 20 0 JFADLO CC(C)C[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Cc2cccs2)CC1 ZINC001287769331 1063096105 /nfs/dbraw/zinc/09/61/05/1063096105.db2.gz MUZJJHPBWVKRTK-OALUTQOASA-N 1 2 465.689 2.899 20 0 JFADLO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001295291366 1063135080 /nfs/dbraw/zinc/13/50/80/1063135080.db2.gz BMKWPQLSCMPPNN-OAQYLSRUSA-N 1 2 465.602 2.794 20 0 JFADLO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(C2CCCC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001295292675 1063141066 /nfs/dbraw/zinc/14/10/66/1063141066.db2.gz BQYUULFENAXIGX-DEOSSOPVSA-N 1 2 468.646 2.968 20 0 JFADLO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(Cc2cccnc2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001295292944 1063143035 /nfs/dbraw/zinc/14/30/35/1063143035.db2.gz DRIQBTFFJXMXCU-QPPBQGQZSA-N 1 2 464.614 2.853 20 0 JFADLO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(Cc2cccnc2)n1CC[N@H+]1CCOC[C@H]1C ZINC001295292944 1063143048 /nfs/dbraw/zinc/14/30/48/1063143048.db2.gz DRIQBTFFJXMXCU-QPPBQGQZSA-N 1 2 464.614 2.853 20 0 JFADLO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(C(=O)NC(C)C)n1Cc1c[nH+]ccc1OC ZINC001295293488 1063145073 /nfs/dbraw/zinc/14/50/73/1063145073.db2.gz VOTOBDYPOWTFJX-FQEVSTJZSA-N 1 2 452.559 2.737 20 0 JFADLO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1Cn1c(-c2ccccn2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001291139593 1063204295 /nfs/dbraw/zinc/20/42/95/1063204295.db2.gz HBFNODHITPUMNC-CTNGQTDRSA-N 1 2 485.633 2.754 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccn3)n2CCc2cccc(F)c2)CC1 ZINC001295335690 1063254455 /nfs/dbraw/zinc/25/44/55/1063254455.db2.gz FETXFPBUIAIGCF-UHFFFAOYSA-N 1 2 465.577 2.712 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccnc3)n2CCc2ccc(F)cc2)CC1 ZINC001295335914 1063254931 /nfs/dbraw/zinc/25/49/31/1063254931.db2.gz HXPICKMZBDNFJX-UHFFFAOYSA-N 1 2 465.577 2.712 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3C)n2C[C@@](C)(O)C(C)C)CC1 ZINC001295336111 1063255751 /nfs/dbraw/zinc/25/57/51/1063255751.db2.gz LVGIJLOWDPPAJC-RUZDIDTESA-N 1 2 456.635 2.651 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3C)n2C[C@](C)(O)C(C)C)CC1 ZINC001295336112 1063255923 /nfs/dbraw/zinc/25/59/23/1063255923.db2.gz LVGIJLOWDPPAJC-VWLOTQADSA-N 1 2 456.635 2.651 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccn3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC001295336613 1063258612 /nfs/dbraw/zinc/25/86/12/1063258612.db2.gz SODGPCBFYSUYSK-JTHBVZDNSA-N 1 2 483.661 2.926 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccn3)n2CCO[C@H]2CCCC[C@H]2C)CC1 ZINC001295336611 1063258698 /nfs/dbraw/zinc/25/86/98/1063258698.db2.gz SODGPCBFYSUYSK-GGAORHGYSA-N 1 2 483.661 2.926 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](C)OC)CC1 ZINC001295336851 1063260894 /nfs/dbraw/zinc/26/08/94/1063260894.db2.gz YHBBMJNTGDMODA-QGZVFWFLSA-N 1 2 493.450 2.733 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2cccnc2)C(C)C)CC1 ZINC001295337097 1063261568 /nfs/dbraw/zinc/26/15/68/1063261568.db2.gz AZGZRSKTXDLARC-JOCHJYFZSA-N 1 2 491.644 2.560 20 0 JFADLO C[C@H]1C[NH+](C(C)(C)Cn2c(-c3cccc(Cl)c3)nnc2N(C)CCS(C)(=O)=O)C[C@H](C)O1 ZINC001291186375 1063290341 /nfs/dbraw/zinc/29/03/41/1063290341.db2.gz DMRQOJBCFQLPRQ-IRXDYDNUSA-N 1 2 484.066 2.967 20 0 JFADLO C[C@H]1C[NH+](C(C)(C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCS(=O)CC2)C[C@H](C)O1 ZINC001291188441 1063303853 /nfs/dbraw/zinc/30/38/53/1063303853.db2.gz KDQFHMWDGILWCS-ROUUACIJSA-N 1 2 496.077 2.967 20 0 JFADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001291195403 1063333789 /nfs/dbraw/zinc/33/37/89/1063333789.db2.gz QMNHLGYKZJBWIA-OALUTQOASA-N 1 2 490.674 2.549 20 0 JFADLO CC(C)NC(=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001291196383 1063338467 /nfs/dbraw/zinc/33/84/67/1063338467.db2.gz KNIQMBVKAXGWKX-SFHVURJKSA-N 1 2 455.607 2.569 20 0 JFADLO CCN(CC)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](c3ccnn3C)C2)c[nH+]1 ZINC001295411155 1063406836 /nfs/dbraw/zinc/40/68/36/1063406836.db2.gz QQDDPSUAIVKBEZ-FQEVSTJZSA-N 1 2 479.633 2.823 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)c[nH+]1 ZINC001295411519 1063407737 /nfs/dbraw/zinc/40/77/37/1063407737.db2.gz UPWMFFKQXZGMTA-IXDOHACOSA-N 1 2 499.632 2.905 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C)C2)c[nH+]1 ZINC001295412596 1063410065 /nfs/dbraw/zinc/41/00/65/1063410065.db2.gz BHFCHMRWLOIIKI-GOSISDBHSA-N 1 2 484.626 2.863 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3ccccn3)nnc2N2CCC(CNC(C)=O)CC2)c[nH+]1 ZINC001295414308 1063416884 /nfs/dbraw/zinc/41/68/84/1063416884.db2.gz YRQRMMNJPQLHNI-UHFFFAOYSA-N 1 2 462.602 2.982 20 0 JFADLO CCN(CC)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC([C@]3(C)NC(=O)NC3=O)CC2)c[nH+]1 ZINC001295418660 1063425985 /nfs/dbraw/zinc/42/59/85/1063425985.db2.gz FBAVBFQKWSODRN-SANMLTNESA-N 1 2 496.660 2.971 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)S[C@@H](C)C2)c[nH+]1 ZINC001295419836 1063429229 /nfs/dbraw/zinc/42/92/29/1063429229.db2.gz JUVWYBGSYBMZHK-SCTDSRPQSA-N 1 2 478.688 2.800 20 0 JFADLO CCN(CC)c1ccc(Cn2c(N3CC[C@H](C(=O)OC)C3)nnc2[C@]2(OC(C)C)CCOC2)c[nH+]1 ZINC001295420076 1063431707 /nfs/dbraw/zinc/43/17/07/1063431707.db2.gz WGPUEGOUWZNVHS-CPJSRVTESA-N 1 2 486.617 2.608 20 0 JFADLO CCN(CC)c1ccc(Cn2c(N3CCC(N(C)S(C)(=O)=O)CC3)nnc2C(C)(C)C)c[nH+]1 ZINC001295420102 1063432794 /nfs/dbraw/zinc/43/27/94/1063432794.db2.gz WOTKKWVUVUOLCX-UHFFFAOYSA-N 1 2 477.679 2.725 20 0 JFADLO CCN(CC)c1ccc(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCNC(=O)C2)c[nH+]1 ZINC001295420915 1063435902 /nfs/dbraw/zinc/43/59/02/1063435902.db2.gz ZXEBMIWWLLCOAG-UHFFFAOYSA-N 1 2 453.978 2.748 20 0 JFADLO C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCCNc2cccc[nH+]2)C[C@H](C(F)(F)F)O1 ZINC001291235141 1063499490 /nfs/dbraw/zinc/49/94/90/1063499490.db2.gz JFDRRJKUPLYWAU-GOEBONIOSA-N 1 2 450.469 2.732 20 0 JFADLO C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC(=O)N1C ZINC001291246484 1063519710 /nfs/dbraw/zinc/51/97/10/1063519710.db2.gz QIDJSTUSHHMGIL-ATZDWAIDSA-N 1 2 462.545 2.768 20 0 JFADLO C[C@@H]1C[NH+](CCCn2c(-c3ccccc3F)nnc2N(CCS(C)(=O)=O)C2CC2)C[C@@H](C)O1 ZINC001291289379 1063655699 /nfs/dbraw/zinc/65/56/99/1063655699.db2.gz IUXCOPHKAVERSY-QZTJIDSGSA-N 1 2 479.622 2.597 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCCCCO ZINC001291307737 1063726631 /nfs/dbraw/zinc/72/66/31/1063726631.db2.gz AKXUDPDDRNJXAW-FQEVSTJZSA-N 1 2 494.681 2.712 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCCCCO ZINC001291307737 1063726649 /nfs/dbraw/zinc/72/66/49/1063726649.db2.gz AKXUDPDDRNJXAW-FQEVSTJZSA-N 1 2 494.681 2.712 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(C2CCC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001291308207 1063728007 /nfs/dbraw/zinc/72/80/07/1063728007.db2.gz JRNBUEYELRYCCZ-MOPGFXCFSA-N 1 2 462.639 2.960 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(C2CCC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001291308207 1063728026 /nfs/dbraw/zinc/72/80/26/1063728026.db2.gz JRNBUEYELRYCCZ-MOPGFXCFSA-N 1 2 462.639 2.960 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC001291308346 1063728669 /nfs/dbraw/zinc/72/86/69/1063728669.db2.gz MAMTVPKYDKKCIR-HXUWFJFHSA-N 1 2 486.636 2.618 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC001291308346 1063728684 /nfs/dbraw/zinc/72/86/84/1063728684.db2.gz MAMTVPKYDKKCIR-HXUWFJFHSA-N 1 2 486.636 2.618 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(Cc2ccccn2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 ZINC001291308579 1063730209 /nfs/dbraw/zinc/73/02/09/1063730209.db2.gz PMKRNFSRUGSXOY-GOSISDBHSA-N 1 2 484.004 2.713 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(Cc2ccccn2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 ZINC001291308579 1063730221 /nfs/dbraw/zinc/73/02/21/1063730221.db2.gz PMKRNFSRUGSXOY-GOSISDBHSA-N 1 2 484.004 2.713 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(Cc2ccccc2F)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291308572 1063730239 /nfs/dbraw/zinc/73/02/39/1063730239.db2.gz PIBRFDACUISLDB-ICSRJNTNSA-N 1 2 488.608 2.832 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(Cc2ccccc2F)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291308572 1063730252 /nfs/dbraw/zinc/73/02/52/1063730252.db2.gz PIBRFDACUISLDB-ICSRJNTNSA-N 1 2 488.608 2.832 20 0 JFADLO C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CC[N@@H+]2CCOC[C@H]2C)CCN1C(=O)OC(C)(C)C ZINC001291308778 1063732087 /nfs/dbraw/zinc/73/20/87/1063732087.db2.gz SKVWLSJVMBSAFE-VAMGGRTRSA-N 1 2 478.638 2.686 20 0 JFADLO C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CC[N@H+]2CCOC[C@H]2C)CCN1C(=O)OC(C)(C)C ZINC001291308778 1063732100 /nfs/dbraw/zinc/73/21/00/1063732100.db2.gz SKVWLSJVMBSAFE-VAMGGRTRSA-N 1 2 478.638 2.686 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)c2ccccc2)CC1 ZINC001291309067 1063732656 /nfs/dbraw/zinc/73/26/56/1063732656.db2.gz XXJUGSIZFUXDNE-NRFANRHFSA-N 1 2 468.646 2.940 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)c2ccccc2)CC1 ZINC001291309067 1063732668 /nfs/dbraw/zinc/73/26/68/1063732668.db2.gz XXJUGSIZFUXDNE-NRFANRHFSA-N 1 2 468.646 2.940 20 0 JFADLO C[C@H]1CSCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001291309651 1063735371 /nfs/dbraw/zinc/73/53/71/1063735371.db2.gz KYRSUXAHGRHMJU-KRWDZBQOSA-N 1 2 493.077 2.914 20 0 JFADLO C[C@H]1CSCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001291309651 1063735380 /nfs/dbraw/zinc/73/53/80/1063735380.db2.gz KYRSUXAHGRHMJU-KRWDZBQOSA-N 1 2 493.077 2.914 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(CC2CC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001291309697 1063735881 /nfs/dbraw/zinc/73/58/81/1063735881.db2.gz LQMCUQKRTXFJIG-AZUAARDMSA-N 1 2 462.639 2.645 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(CC2CC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001291309697 1063735895 /nfs/dbraw/zinc/73/58/95/1063735895.db2.gz LQMCUQKRTXFJIG-AZUAARDMSA-N 1 2 462.639 2.645 20 0 JFADLO CCN(C[C@@H]1CCCO1)c1nnc([C@H](C)Oc2ccccc2F)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001295723165 1063738718 /nfs/dbraw/zinc/73/87/18/1063738718.db2.gz SOZGMVHVDWBVJB-FPOVZHCZSA-N 1 2 488.608 2.727 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(COc2ccc(F)cc2)nnc1N1CCC(CCCO)CC1 ZINC001291310144 1063738847 /nfs/dbraw/zinc/73/88/47/1063738847.db2.gz UVSSYTJBASMFJZ-LJQANCHMSA-N 1 2 461.582 2.706 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(COc2ccc(F)cc2)nnc1N1CCC(CCCO)CC1 ZINC001291310144 1063738857 /nfs/dbraw/zinc/73/88/57/1063738857.db2.gz UVSSYTJBASMFJZ-LJQANCHMSA-N 1 2 461.582 2.706 20 0 JFADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)C[C@H]1C ZINC001295741236 1063748863 /nfs/dbraw/zinc/74/88/63/1063748863.db2.gz YJBZQDGXGFDLMX-GOSISDBHSA-N 1 2 459.568 2.505 20 0 JFADLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)C[C@H]1C ZINC001295741236 1063748877 /nfs/dbraw/zinc/74/88/77/1063748877.db2.gz YJBZQDGXGFDLMX-GOSISDBHSA-N 1 2 459.568 2.505 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)OC ZINC001295747755 1063753046 /nfs/dbraw/zinc/75/30/46/1063753046.db2.gz HGNLYWQTJLGEBW-LJQANCHMSA-N 1 2 455.607 2.687 20 0 JFADLO C[C@H]1SCCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(N(C)C)[nH+]c2)[C@@H]1C ZINC001291325527 1063776348 /nfs/dbraw/zinc/77/63/48/1063776348.db2.gz KCGKVEGARVWYJC-HZPDHXFCSA-N 1 2 452.588 2.765 20 0 JFADLO CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001295773967 1063783078 /nfs/dbraw/zinc/78/30/78/1063783078.db2.gz HPGNXNGMFMNKHT-HSZRJFAPSA-N 1 2 468.646 2.940 20 0 JFADLO CC[N@H+](CCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)CCC(F)(F)F ZINC001295841484 1063860612 /nfs/dbraw/zinc/86/06/12/1063860612.db2.gz HGNKSMPSVNFWPQ-MRXNPFEDSA-N 1 2 474.553 2.546 20 0 JFADLO CC[N@@H+](CCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)CCC(F)(F)F ZINC001295841484 1063860630 /nfs/dbraw/zinc/86/06/30/1063860630.db2.gz HGNKSMPSVNFWPQ-MRXNPFEDSA-N 1 2 474.553 2.546 20 0 JFADLO CC[C@@](C)(O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001291362480 1063878454 /nfs/dbraw/zinc/87/84/54/1063878454.db2.gz GCEPFAOKFJXHNH-XMMPIXPASA-N 1 2 467.574 2.548 20 0 JFADLO CCN(CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc[nH+]2)CC1)C(=O)OC(C)(C)C ZINC001295852954 1063878549 /nfs/dbraw/zinc/87/85/49/1063878549.db2.gz MKCDFIYNJNAUJY-IBGZPJMESA-N 1 2 471.606 2.761 20 0 JFADLO CC[N@H+](CCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1C(C)(C)C)CCC(F)(F)F ZINC001295868772 1063905620 /nfs/dbraw/zinc/90/56/20/1063905620.db2.gz XBGCIJZCMNFMQP-OAHLLOKOSA-N 1 2 453.575 2.863 20 0 JFADLO CC[N@@H+](CCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1C(C)(C)C)CCC(F)(F)F ZINC001295868772 1063905632 /nfs/dbraw/zinc/90/56/32/1063905632.db2.gz XBGCIJZCMNFMQP-OAHLLOKOSA-N 1 2 453.575 2.863 20 0 JFADLO CC[C@@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001291382302 1063923143 /nfs/dbraw/zinc/92/31/43/1063923143.db2.gz VDZNAYATHDZAKU-ZCVJKFOLSA-N 1 2 461.582 2.624 20 0 JFADLO CCn1cc(CN(C)c2nnc(C(=O)NC(C)C)n2Cc2ccc(-n3cc[nH+]c3)c(F)c2)cn1 ZINC001295901113 1063954504 /nfs/dbraw/zinc/95/45/04/1063954504.db2.gz FHBGHNMUXHOYQO-UHFFFAOYSA-N 1 2 465.537 2.642 20 0 JFADLO CC[C@H](C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1)OC ZINC001291407739 1063980490 /nfs/dbraw/zinc/98/04/90/1063980490.db2.gz OIAJPMMVSWOBQY-FXAWDEMLSA-N 1 2 475.663 2.662 20 0 JFADLO CCn1cc(Cn2c(-c3ccccc3Br)nnc2N(C)CC[NH+]2CCOCC2)cn1 ZINC001295925666 1063980906 /nfs/dbraw/zinc/98/09/06/1063980906.db2.gz ZRWKNIWBMAJXAH-UHFFFAOYSA-N 1 2 474.407 2.741 20 0 JFADLO CC[C@H](C)[C@@H](Cn1c(N2CCN(c3cc[nH+]c(C)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1)OC ZINC001291426207 1064009445 /nfs/dbraw/zinc/00/94/45/1064009445.db2.gz VUCRHWDRILPMBA-HWHXTQLESA-N 1 2 487.649 2.805 20 0 JFADLO CC[C@H](C)[C@H](Cn1c(N2CCN(c3cc[nH+]c(C)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1)OC ZINC001291426208 1064009462 /nfs/dbraw/zinc/00/94/62/1064009462.db2.gz VUCRHWDRILPMBA-OWHZGTRUSA-N 1 2 487.649 2.805 20 0 JFADLO CC[C@@H](C)c1nnc(N(C)Cc2cnn(C)c2C)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001291438449 1064017843 /nfs/dbraw/zinc/01/78/43/1064017843.db2.gz DIAZMWGMLKSNRV-APWZRJJASA-N 1 2 452.611 2.971 20 0 JFADLO CC[C@@H](C)c1nnc(N(C)Cc2cnn(C)c2C)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001291438449 1064017849 /nfs/dbraw/zinc/01/78/49/1064017849.db2.gz DIAZMWGMLKSNRV-APWZRJJASA-N 1 2 452.611 2.971 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCS(C)(=O)=O)C[C@H]1C ZINC001295980667 1064031028 /nfs/dbraw/zinc/03/10/28/1064031028.db2.gz PHBCZFBVUCMGKH-SQNIBIBYSA-N 1 2 467.611 2.911 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCS(C)(=O)=O)C[C@H]1C ZINC001295980667 1064031032 /nfs/dbraw/zinc/03/10/32/1064031032.db2.gz PHBCZFBVUCMGKH-SQNIBIBYSA-N 1 2 467.611 2.911 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001291482181 1064036726 /nfs/dbraw/zinc/03/67/26/1064036726.db2.gz JRVRWZCPEDQBLY-ACRUOGEOSA-N 1 2 460.667 2.987 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001291482181 1064036735 /nfs/dbraw/zinc/03/67/35/1064036735.db2.gz JRVRWZCPEDQBLY-ACRUOGEOSA-N 1 2 460.667 2.987 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC2CCCCC2)C[C@@H]1C ZINC001295993304 1064048347 /nfs/dbraw/zinc/04/83/47/1064048347.db2.gz CSALSKTWDSEXAV-SLFFLAALSA-N 1 2 467.680 2.839 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC2CCCCC2)C[C@@H]1C ZINC001295993304 1064048353 /nfs/dbraw/zinc/04/83/53/1064048353.db2.gz CSALSKTWDSEXAV-SLFFLAALSA-N 1 2 467.680 2.839 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1C ZINC001296013984 1064074875 /nfs/dbraw/zinc/07/48/75/1064074875.db2.gz XHFBETGQWCKQCJ-ACRUOGEOSA-N 1 2 475.659 2.909 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1C ZINC001296013984 1064074882 /nfs/dbraw/zinc/07/48/82/1064074882.db2.gz XHFBETGQWCKQCJ-ACRUOGEOSA-N 1 2 475.659 2.909 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@H]2CCCCS2(=O)=O)C[C@H]1C ZINC001296015297 1064077123 /nfs/dbraw/zinc/07/71/23/1064077123.db2.gz RQVYMNFJESYGQL-HSALFYBXSA-N 1 2 491.658 2.752 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@H]2CCCCS2(=O)=O)C[C@H]1C ZINC001296015297 1064077132 /nfs/dbraw/zinc/07/71/32/1064077132.db2.gz RQVYMNFJESYGQL-HSALFYBXSA-N 1 2 491.658 2.752 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@H]2CCCCS2(=O)=O)C[C@@H]1C ZINC001296015298 1064077551 /nfs/dbraw/zinc/07/75/51/1064077551.db2.gz RQVYMNFJESYGQL-SLFFLAALSA-N 1 2 491.658 2.752 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@H]2CCCCS2(=O)=O)C[C@@H]1C ZINC001296015298 1064077562 /nfs/dbraw/zinc/07/75/62/1064077562.db2.gz RQVYMNFJESYGQL-SLFFLAALSA-N 1 2 491.658 2.752 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001291577494 1064101282 /nfs/dbraw/zinc/10/12/82/1064101282.db2.gz IFSYLHHCXFPHHN-LJQANCHMSA-N 1 2 469.634 2.766 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001291592052 1064127428 /nfs/dbraw/zinc/12/74/28/1064127428.db2.gz KBJIDRZOFVVLDM-HXUWFJFHSA-N 1 2 485.633 2.986 20 0 JFADLO CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC001291594967 1064130802 /nfs/dbraw/zinc/13/08/02/1064130802.db2.gz CEHJKEFRJDRTFV-LJQANCHMSA-N 1 2 451.571 2.811 20 0 JFADLO CC[C@H](C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001291599266 1064134364 /nfs/dbraw/zinc/13/43/64/1064134364.db2.gz YGFPEPWJPCABIR-DYLHXGEVSA-N 1 2 486.636 2.971 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(c3cccc(C)c3C)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291600779 1064135937 /nfs/dbraw/zinc/13/59/37/1064135937.db2.gz VWIMWFYLYLZBSU-FQEVSTJZSA-N 1 2 467.662 2.899 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1C[C@H](OC)[C@@H](C)CC ZINC001291602956 1064138856 /nfs/dbraw/zinc/13/88/56/1064138856.db2.gz PSDZRXPOVYBDSH-LNLFQRSKSA-N 1 2 455.611 2.856 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC001291607549 1064144468 /nfs/dbraw/zinc/14/44/68/1064144468.db2.gz IHJMUROMNMIBHS-AZUAARDMSA-N 1 2 465.577 2.997 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCOc1ccc(S(C)(=O)=O)cc1 ZINC001291609796 1064147432 /nfs/dbraw/zinc/14/74/32/1064147432.db2.gz VKTJZVIJUMWUFF-LJQANCHMSA-N 1 2 484.626 2.996 20 0 JFADLO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1Cc1ccc(S(C)(=O)=O)cc1 ZINC001291629780 1064174371 /nfs/dbraw/zinc/17/43/71/1064174371.db2.gz PHSIRVMQGUCEHN-QGZVFWFLSA-N 1 2 472.615 2.862 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCN(CC(F)F)CC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001291630168 1064174872 /nfs/dbraw/zinc/17/48/72/1064174872.db2.gz MFIPETFZDPHFCG-MSOLQXFVSA-N 1 2 463.577 2.847 20 0 JFADLO CCN1CCCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@H](C)[NH+]2CCOCC2)CC1=O ZINC001296101842 1064176614 /nfs/dbraw/zinc/17/66/14/1064176614.db2.gz WHUMTYWQCFADAY-RBUKOAKNSA-N 1 2 491.036 2.851 20 0 JFADLO CCN1CCCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)[NH+]2CCOCC2)CC1=O ZINC001296101840 1064176621 /nfs/dbraw/zinc/17/66/21/1064176621.db2.gz WHUMTYWQCFADAY-MOPGFXCFSA-N 1 2 491.036 2.851 20 0 JFADLO CCN1CCCN(c2nnc(-c3ccccn3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1=O ZINC001296105274 1064183701 /nfs/dbraw/zinc/18/37/01/1064183701.db2.gz JEFDYQXCFXZWPC-FQEVSTJZSA-N 1 2 469.540 2.980 20 0 JFADLO CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@@H]1CCC[C@H](O)C1 ZINC001291640388 1064189472 /nfs/dbraw/zinc/18/94/72/1064189472.db2.gz RQAIQXONCQUIHG-GSPCLOLRSA-N 1 2 462.683 2.574 20 0 JFADLO CCN1CCCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1=O ZINC001296117654 1064198338 /nfs/dbraw/zinc/19/83/38/1064198338.db2.gz TZTVMGVKAXUXPN-UHFFFAOYSA-N 1 2 497.688 2.559 20 0 JFADLO CCN1CCCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1=O ZINC001296117654 1064198348 /nfs/dbraw/zinc/19/83/48/1064198348.db2.gz TZTVMGVKAXUXPN-UHFFFAOYSA-N 1 2 497.688 2.559 20 0 JFADLO CC[C@H](C)c1nnc(N2CCNC(=O)[C@H]2CC)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001291650831 1064203923 /nfs/dbraw/zinc/20/39/23/1064203923.db2.gz USEKAYMEIQCKKL-KSEOMHKRSA-N 1 2 454.619 2.888 20 0 JFADLO CC[C@H](C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001291715729 1064225283 /nfs/dbraw/zinc/22/52/83/1064225283.db2.gz ARJBGGLRASJNPJ-FCHUYYIVSA-N 1 2 488.702 2.875 20 0 JFADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001296132554 1064230284 /nfs/dbraw/zinc/23/02/84/1064230284.db2.gz BKJUHQSIZZERMG-QFIPXVFZSA-N 1 2 497.688 2.605 20 0 JFADLO CC[C@H](C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001291733661 1064231041 /nfs/dbraw/zinc/23/10/41/1064231041.db2.gz ZGZWDCJBMJWPOU-RBUKOAKNSA-N 1 2 469.638 2.887 20 0 JFADLO CC[C@H](C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001291733661 1064231050 /nfs/dbraw/zinc/23/10/50/1064231050.db2.gz ZGZWDCJBMJWPOU-RBUKOAKNSA-N 1 2 469.638 2.887 20 0 JFADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001296132632 1064231162 /nfs/dbraw/zinc/23/11/62/1064231162.db2.gz CGIPUOCPSBWRDX-GOTSBHOMSA-N 1 2 497.688 2.557 20 0 JFADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001296132927 1064232138 /nfs/dbraw/zinc/23/21/38/1064232138.db2.gz FABSAUUGUYIILX-FSSWDIPSSA-N 1 2 456.635 2.805 20 0 JFADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2Nc2cnn(C)c2)CC1 ZINC001296133593 1064233984 /nfs/dbraw/zinc/23/39/84/1064233984.db2.gz JMNBAEJJOUCNMD-FQEVSTJZSA-N 1 2 452.607 2.977 20 0 JFADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001296133598 1064234279 /nfs/dbraw/zinc/23/42/79/1064234279.db2.gz JNXNFROKTUWPKE-FGZHOGPDSA-N 1 2 456.635 2.725 20 0 JFADLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCC[C@@H](C(=O)Nc3cccc(C)n3)C1)CC2 ZINC001291767489 1064249303 /nfs/dbraw/zinc/24/93/03/1064249303.db2.gz VSURAKBGTNDHFA-LJQANCHMSA-N 1 2 452.555 2.643 20 0 JFADLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCC[C@@H](C(=O)Nc3cccc(C)n3)C1)CC2 ZINC001291767489 1064249307 /nfs/dbraw/zinc/24/93/07/1064249307.db2.gz VSURAKBGTNDHFA-LJQANCHMSA-N 1 2 452.555 2.643 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCS(=O)(=O)C(C)(C)C)C[C@H]1C ZINC001296147059 1064257810 /nfs/dbraw/zinc/25/78/10/1064257810.db2.gz MYGNWKZWKKDHIE-QGZVFWFLSA-N 1 2 479.647 2.706 20 0 JFADLO CC[N@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCS(=O)(=O)C(C)(C)C)C[C@H]1C ZINC001296147059 1064257816 /nfs/dbraw/zinc/25/78/16/1064257816.db2.gz MYGNWKZWKKDHIE-QGZVFWFLSA-N 1 2 479.647 2.706 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCS(C)(=O)=O)C[C@H]1C ZINC001296148456 1064259916 /nfs/dbraw/zinc/25/99/16/1064259916.db2.gz XOJMLUTVTPNXBQ-OAHLLOKOSA-N 1 2 470.437 2.673 20 0 JFADLO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCS(C)(=O)=O)C[C@H]1C ZINC001296148456 1064259924 /nfs/dbraw/zinc/25/99/24/1064259924.db2.gz XOJMLUTVTPNXBQ-OAHLLOKOSA-N 1 2 470.437 2.673 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1C ZINC001296154400 1064265062 /nfs/dbraw/zinc/26/50/62/1064265062.db2.gz NEWQDZQQDBLSMC-DLBZAZTESA-N 1 2 452.024 2.954 20 0 JFADLO CC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1C ZINC001296154400 1064265068 /nfs/dbraw/zinc/26/50/68/1064265068.db2.gz NEWQDZQQDBLSMC-DLBZAZTESA-N 1 2 452.024 2.954 20 0 JFADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)Cc2cccs2)C[C@H]1C ZINC001296158844 1064272397 /nfs/dbraw/zinc/27/23/97/1064272397.db2.gz JJBHOIPFWFCMEU-KZNAEPCWSA-N 1 2 451.662 2.651 20 0 JFADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)Cc2cccs2)C[C@H]1C ZINC001296158844 1064272410 /nfs/dbraw/zinc/27/24/10/1064272410.db2.gz JJBHOIPFWFCMEU-KZNAEPCWSA-N 1 2 451.662 2.651 20 0 JFADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2SC)C[C@@H]1C ZINC001296163511 1064278184 /nfs/dbraw/zinc/27/81/84/1064278184.db2.gz XNXHBHTUAJNREJ-PKOBYXMFSA-N 1 2 463.673 2.789 20 0 JFADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2SC)C[C@@H]1C ZINC001296163511 1064278192 /nfs/dbraw/zinc/27/81/92/1064278192.db2.gz XNXHBHTUAJNREJ-PKOBYXMFSA-N 1 2 463.673 2.789 20 0 JFADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)Nc4ccc(C)c(C)c4)n3CC(O)(CC)CC)C2)CC1 ZINC001296173140 1064294787 /nfs/dbraw/zinc/29/47/87/1064294787.db2.gz BUFKUNDUIQZPGN-QHCPKHFHSA-N 1 2 497.688 2.915 20 0 JFADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)Nc4ccc(C)c(C)c4)n3C[C@@H](C)COC)C2)CC1 ZINC001296174444 1064301712 /nfs/dbraw/zinc/30/17/12/1064301712.db2.gz QPILIONQBQCFGA-XXBNENTESA-N 1 2 483.661 2.646 20 0 JFADLO CCn1nc(-c2nnc(N(C)CCCSC)n2CC[N@@H+]2CCOC[C@H]2C)c2ccccc2c1=O ZINC001296217396 1064427926 /nfs/dbraw/zinc/42/79/26/1064427926.db2.gz ZJELRVKXTAXOPA-GOSISDBHSA-N 1 2 485.658 2.585 20 0 JFADLO CCn1nc(-c2nnc(N(C)CCCSC)n2CC[N@H+]2CCOC[C@H]2C)c2ccccc2c1=O ZINC001296217396 1064427936 /nfs/dbraw/zinc/42/79/36/1064427936.db2.gz ZJELRVKXTAXOPA-GOSISDBHSA-N 1 2 485.658 2.585 20 0 JFADLO CC[C@@H](c1nnc(N(C)[C@H]2CCSC2)n1CC[NH+]1CCN(C(C)=O)CC1)c1ccccc1 ZINC001291845859 1064452438 /nfs/dbraw/zinc/45/24/38/1064452438.db2.gz TVTQINGTKWVLHN-FCHUYYIVSA-N 1 2 456.660 2.926 20 0 JFADLO CC[C@H](c1nnc(N(C)C[C@@H](C)C(=O)NC)n1Cc1ccc[nH+]c1N1CCOCC1)c1ccccc1 ZINC001291846810 1064454118 /nfs/dbraw/zinc/45/41/18/1064454118.db2.gz WVZKKWKMSYIBQP-OFNKIYASSA-N 1 2 491.640 2.918 20 0 JFADLO CC[C@H](c1nnc(N(C)C[C@H](C)C(=O)NC)n1Cc1ccc[nH+]c1N1CCOCC1)c1ccccc1 ZINC001291846811 1064454136 /nfs/dbraw/zinc/45/41/36/1064454136.db2.gz WVZKKWKMSYIBQP-REWPJTCUSA-N 1 2 491.640 2.918 20 0 JFADLO CCNC(=O)C(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001296232793 1064471757 /nfs/dbraw/zinc/47/17/57/1064471757.db2.gz XQVJMBJREPQAHL-UHFFFAOYSA-N 1 2 463.586 2.838 20 0 JFADLO CC[C@@H](c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H](C)OC)c1ccccc1 ZINC001291886222 1064507479 /nfs/dbraw/zinc/50/74/79/1064507479.db2.gz AQOCZAJTJCNQGT-MQSCRBSSSA-N 1 2 468.646 2.988 20 0 JFADLO CCC(CC)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc[nH+]2)CC1)SC ZINC001291931682 1064549308 /nfs/dbraw/zinc/54/93/08/1064549308.db2.gz BZWKDFDCQUTPGX-SFHVURJKSA-N 1 2 478.688 2.824 20 0 JFADLO CCNC(=O)CN1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCC(C)CC3)[nH+]c2)CC1 ZINC001296282692 1064553799 /nfs/dbraw/zinc/55/37/99/1064553799.db2.gz JSQMLBVJXUSVSM-UHFFFAOYSA-N 1 2 482.677 2.513 20 0 JFADLO CCNC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001296301678 1064580541 /nfs/dbraw/zinc/58/05/41/1064580541.db2.gz HCVBKDJTNWPRFQ-IRLDBZIGSA-N 1 2 499.660 2.607 20 0 JFADLO CCNC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001296310619 1064591226 /nfs/dbraw/zinc/59/12/26/1064591226.db2.gz ONWYORXKHCDUCE-LJQANCHMSA-N 1 2 472.544 2.706 20 0 JFADLO CCNC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001296319379 1064602534 /nfs/dbraw/zinc/60/25/34/1064602534.db2.gz KGRQXMTXCZQPJE-UHFFFAOYSA-N 1 2 476.629 2.814 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)C[C@H](C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001292016667 1064650146 /nfs/dbraw/zinc/65/01/46/1064650146.db2.gz HMPMPOHHZWZFDV-OALUTQOASA-N 1 2 469.634 2.959 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001292046685 1064711742 /nfs/dbraw/zinc/71/17/42/1064711742.db2.gz VBYUOAQLCPBIET-WMZOPIPTSA-N 1 2 455.611 2.543 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001292046685 1064711761 /nfs/dbraw/zinc/71/17/61/1064711761.db2.gz VBYUOAQLCPBIET-WMZOPIPTSA-N 1 2 455.611 2.543 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccnn3C)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001292049705 1064715042 /nfs/dbraw/zinc/71/50/42/1064715042.db2.gz OKRGWPLTTXDWKJ-UHFFFAOYSA-N 1 2 479.633 2.823 20 0 JFADLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCC(NC(=O)Nc3ccccc3)CC1)CC2 ZINC001292058978 1064728307 /nfs/dbraw/zinc/72/83/07/1064728307.db2.gz RXGNKYBHJRUMRY-UHFFFAOYSA-N 1 2 452.555 2.875 20 0 JFADLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCC(NC(=O)Nc3ccccc3)CC1)CC2 ZINC001292058978 1064728318 /nfs/dbraw/zinc/72/83/18/1064728318.db2.gz RXGNKYBHJRUMRY-UHFFFAOYSA-N 1 2 452.555 2.875 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1Cc1cccc(F)c1 ZINC001292063014 1064735610 /nfs/dbraw/zinc/73/56/10/1064735610.db2.gz KVGZKWLPWOVZPK-JOCHJYFZSA-N 1 2 471.625 2.600 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@H]1CC(F)(F)CO1 ZINC001292073810 1064752481 /nfs/dbraw/zinc/75/24/81/1064752481.db2.gz JCQBSWCKMHMPSN-QGZVFWFLSA-N 1 2 477.560 2.644 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3nc(C)nc3C)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001292088490 1064772086 /nfs/dbraw/zinc/77/20/86/1064772086.db2.gz FFJWLLSWZSJMRD-NRFANRHFSA-N 1 2 494.648 2.756 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCCO[C@H](C)C2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001292105947 1064801185 /nfs/dbraw/zinc/80/11/85/1064801185.db2.gz QKMSTDBUPVVRKC-GOSISDBHSA-N 1 2 455.607 2.855 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccs3)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001292115205 1064831867 /nfs/dbraw/zinc/83/18/67/1064831867.db2.gz FFHKYHDJMPBKPL-UHFFFAOYSA-N 1 2 489.690 2.695 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccs3)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001292115205 1064831876 /nfs/dbraw/zinc/83/18/76/1064831876.db2.gz FFHKYHDJMPBKPL-UHFFFAOYSA-N 1 2 489.690 2.695 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@@](C)(O)[C@H](C)CC ZINC001292116230 1064836925 /nfs/dbraw/zinc/83/69/25/1064836925.db2.gz PFFNGJNMHBSQMX-HOYKHHGWSA-N 1 2 457.623 2.715 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1Cc1cc(F)ccc1F ZINC001292121934 1064854812 /nfs/dbraw/zinc/85/48/12/1064854812.db2.gz KQJVESULBQEMLM-UHFFFAOYSA-N 1 2 484.555 2.948 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccco3)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001292135915 1064902574 /nfs/dbraw/zinc/90/25/74/1064902574.db2.gz DSITVWKMRZSKAY-IRLDBZIGSA-N 1 2 488.633 2.724 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001292138239 1064906230 /nfs/dbraw/zinc/90/62/30/1064906230.db2.gz XSMXLENAIXPFFH-OALUTQOASA-N 1 2 499.660 2.869 20 0 JFADLO CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1)OC ZINC001292207181 1064995373 /nfs/dbraw/zinc/99/53/73/1064995373.db2.gz IRUOWMFTBLVUSG-SFHVURJKSA-N 1 2 455.538 2.630 20 0 JFADLO CC[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc[nH+]2)CC1)NC(=O)OC(C)(C)C ZINC001292226458 1065013964 /nfs/dbraw/zinc/01/39/64/1065013964.db2.gz SZJZBFXEAKNQJK-OALUTQOASA-N 1 2 471.606 2.807 20 0 JFADLO CCC(O)(CC)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001292275105 1065052290 /nfs/dbraw/zinc/05/22/90/1065052290.db2.gz QQPYRDSOMIUBNF-UHFFFAOYSA-N 1 2 451.575 2.930 20 0 JFADLO CCC(O)(CC)Cn1c(Cc2ccccc2C)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001292285639 1065059535 /nfs/dbraw/zinc/05/95/35/1065059535.db2.gz JJAMZXYAZFJKFC-RUZDIDTESA-N 1 2 498.716 2.960 20 0 JFADLO CC[C@]1(C)CCN(c2nnc([C@H](C)OCCOC)n2C[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC001292318151 1065083435 /nfs/dbraw/zinc/08/34/35/1065083435.db2.gz KRHPJYVBKCLQKJ-WWPVKYPJSA-N 1 2 467.680 2.836 20 0 JFADLO CC[C@@]1(C)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCC3)[nH+]c2)C1 ZINC001292319720 1065084091 /nfs/dbraw/zinc/08/40/91/1065084091.db2.gz SQGNITRMHFAMQW-JTSKRJEESA-N 1 2 461.636 2.558 20 0 JFADLO Cc1c(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cnn1-c1ccccc1Cl ZINC001292374088 1065117161 /nfs/dbraw/zinc/11/71/61/1065117161.db2.gz IVYJVHGQFYHHQI-UHFFFAOYSA-N 1 2 452.946 2.698 20 0 JFADLO CCC1(CC)CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc[nH+]c2N2CCOCC2)C1 ZINC001292375859 1065118464 /nfs/dbraw/zinc/11/84/64/1065118464.db2.gz PTDHOFLXBHQMOF-UHFFFAOYSA-N 1 2 455.607 2.713 20 0 JFADLO CC[C@@]1(C)CN(c2nnc(COc3ccccc3OC)n2CC[N@@H+]2CCOC[C@@H]2C)CCO1 ZINC001292379274 1065123334 /nfs/dbraw/zinc/12/33/34/1065123334.db2.gz JYADZJYRRPLDGT-CYFREDJKSA-N 1 2 459.591 2.592 20 0 JFADLO CC[C@@]1(C)CN(c2nnc(COc3ccccc3OC)n2CC[N@H+]2CCOC[C@@H]2C)CCO1 ZINC001292379274 1065123339 /nfs/dbraw/zinc/12/33/39/1065123339.db2.gz JYADZJYRRPLDGT-CYFREDJKSA-N 1 2 459.591 2.592 20 0 JFADLO CCC1(CC)CN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CCS1 ZINC001292394125 1065133990 /nfs/dbraw/zinc/13/39/90/1065133990.db2.gz QHEVGHLQEGEPCT-HXUWFJFHSA-N 1 2 478.707 2.983 20 0 JFADLO CCC1(CC)CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)[nH+]c2)CCS1 ZINC001292394146 1065134038 /nfs/dbraw/zinc/13/40/38/1065134038.db2.gz QNCYXVIICBLYRJ-MRXNPFEDSA-N 1 2 481.692 2.510 20 0 JFADLO CCC1(CC)CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)[nH+]c2)CCS1 ZINC001292394140 1065134063 /nfs/dbraw/zinc/13/40/63/1065134063.db2.gz QNCYXVIICBLYRJ-INIZCTEOSA-N 1 2 481.692 2.510 20 0 JFADLO CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cc(-n3cc[nH+]c3)ccc2O)c(=O)[nH]c1=O ZINC001292446749 1065170609 /nfs/dbraw/zinc/17/06/09/1065170609.db2.gz KHAWBLRLSDTUGW-UHFFFAOYSA-N 1 2 454.531 2.915 20 0 JFADLO CCc1ccc(-c2nnc(N3CC[C@@H]([NH+]4CCN(C(C)C)CC4)C3)n2C[C@H](COC)OC)cc1 ZINC001292497263 1065216489 /nfs/dbraw/zinc/21/64/89/1065216489.db2.gz DNSKLASUSRQTEF-DNQXCXABSA-N 1 2 470.662 2.774 20 0 JFADLO CCc1ccc(-c2nnc(N3CC[NH+](CC(=O)N4CCCCC4)CC3)n2C[C@H](C)OC)cc1 ZINC001292518098 1065240834 /nfs/dbraw/zinc/24/08/34/1065240834.db2.gz MLRKPWSHRYPGFL-FQEVSTJZSA-N 1 2 454.619 2.677 20 0 JFADLO CCc1ccc(-c2nnc(N3CC[NH+](CC(=O)N4CCCCC4)CC3)n2C[C@@H](C)OC)cc1 ZINC001292518101 1065240861 /nfs/dbraw/zinc/24/08/61/1065240861.db2.gz MLRKPWSHRYPGFL-HXUWFJFHSA-N 1 2 454.619 2.677 20 0 JFADLO CCc1ccc(-c2nnc(N3CC[NH+]([C@@H](C)C(=O)N4CCCC4)CC3)n2C[C@H](F)COC)cc1 ZINC001292518614 1065243064 /nfs/dbraw/zinc/24/30/64/1065243064.db2.gz QDISRPUYFSKCAK-UGKGYDQZSA-N 1 2 472.609 2.625 20 0 JFADLO CCc1ccc(-c2nnc(N3CC[NH+]([C@H](C)C(=O)NC4CC4)CC3)n2CC(F)(F)F)cc1 ZINC001292519091 1065244005 /nfs/dbraw/zinc/24/40/05/1065244005.db2.gz VJHWBUFILIGRME-OAHLLOKOSA-N 1 2 450.509 2.859 20 0 JFADLO CCc1ccccc1OCc1nnc(N2CCCN(CC)C(=O)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001292609066 1065335058 /nfs/dbraw/zinc/33/50/58/1065335058.db2.gz HENYKULGUYBPBW-UHFFFAOYSA-N 1 2 477.613 2.987 20 0 JFADLO CCc1cnc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)CC[NH+]2CCOCC2)s1 ZINC001292648222 1065383795 /nfs/dbraw/zinc/38/37/95/1065383795.db2.gz CHEYEFADAHVICG-UHFFFAOYSA-N 1 2 483.642 2.983 20 0 JFADLO CCc1nc(C)c([C@H](C)N(C)c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)s1 ZINC001292673448 1065413437 /nfs/dbraw/zinc/41/34/37/1065413437.db2.gz KWWHRPGLBQNWFE-ICSRJNTNSA-N 1 2 489.690 2.861 20 0 JFADLO CCc1nc(C)c(Cn2c(-c3cc(Br)cn3C)nnc2N(C)CC[NH+]2CCOCC2)o1 ZINC001292680722 1065421918 /nfs/dbraw/zinc/42/19/18/1065421918.db2.gz HZIYKURYKLPREM-UHFFFAOYSA-N 1 2 492.422 2.722 20 0 JFADLO CCc1nn(C)c(OC)c1Cn1c(CC)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC001292777329 1065537039 /nfs/dbraw/zinc/53/70/39/1065537039.db2.gz GKXUUTKVNIGXOK-IBGZPJMESA-N 1 2 473.647 2.765 20 0 JFADLO CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)CCC1 ZINC001292942258 1065626915 /nfs/dbraw/zinc/62/69/15/1065626915.db2.gz NAAVPGVGZYENFU-UHFFFAOYSA-N 1 2 456.587 2.752 20 0 JFADLO CC(C)(C)OC(=O)N(CC(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1)c1ccccc1 ZINC001292942583 1065627705 /nfs/dbraw/zinc/62/77/05/1065627705.db2.gz SKKYMJNASMCNSA-UHFFFAOYSA-N 1 2 452.555 2.871 20 0 JFADLO Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NCC(C)(C)[NH+]3CCN(C)CC3)cc2)c1C ZINC001292955347 1065634616 /nfs/dbraw/zinc/63/46/16/1065634616.db2.gz IWVLBMKZMNWPHW-UHFFFAOYSA-N 1 2 458.628 2.860 20 0 JFADLO CCc1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001293095402 1065745058 /nfs/dbraw/zinc/74/50/58/1065745058.db2.gz QVOHZXZFPDOYAE-QUCCMNQESA-N 1 2 466.552 2.987 20 0 JFADLO Cc1cc(C(=O)CCC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c(C)s1 ZINC001293106455 1065753538 /nfs/dbraw/zinc/75/35/38/1065753538.db2.gz CMFGXRIYVVIUDY-SFHVURJKSA-N 1 2 457.600 2.740 20 0 JFADLO Cc1cc(C(=O)CCC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c(C)s1 ZINC001293106455 1065753553 /nfs/dbraw/zinc/75/35/53/1065753553.db2.gz CMFGXRIYVVIUDY-SFHVURJKSA-N 1 2 457.600 2.740 20 0 JFADLO CCc1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1Cc1ccc(C(=O)N(CC)CC)cc1 ZINC001293108406 1065754519 /nfs/dbraw/zinc/75/45/19/1065754519.db2.gz KZWCZQKAFKQTDL-UHFFFAOYSA-N 1 2 462.602 2.796 20 0 JFADLO CCc1nnc(N2CCN(c3ncc(F)cn3)CC2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001293111116 1065756589 /nfs/dbraw/zinc/75/65/89/1065756589.db2.gz LKNCQOPSVVXYLC-GOSISDBHSA-N 1 2 460.508 2.677 20 0 JFADLO CCc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1Cc1ccccc1Br ZINC001293130610 1065781525 /nfs/dbraw/zinc/78/15/25/1065781525.db2.gz IRKCKHQBCOJGPT-FQEVSTJZSA-N 1 2 491.478 2.883 20 0 JFADLO CCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1Cc1ccccc1Br ZINC001293130612 1065781652 /nfs/dbraw/zinc/78/16/52/1065781652.db2.gz IRKCKHQBCOJGPT-HXUWFJFHSA-N 1 2 491.478 2.883 20 0 JFADLO CCc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCc1ccccc1Cl ZINC001293131348 1065783332 /nfs/dbraw/zinc/78/33/32/1065783332.db2.gz OLQRCLNELUKUNK-NRFANRHFSA-N 1 2 461.054 2.968 20 0 JFADLO CCc1nnc(N2CCO[C@H](c3ccccc3Br)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001293149673 1065793345 /nfs/dbraw/zinc/79/33/45/1065793345.db2.gz FYBHKECMEBDETL-APWZRJJASA-N 1 2 464.408 2.902 20 0 JFADLO CCc1nnc(N2CCO[C@@H](c3ccccc3Br)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001293149676 1065793370 /nfs/dbraw/zinc/79/33/70/1065793370.db2.gz FYBHKECMEBDETL-VQIMIIECSA-N 1 2 464.408 2.902 20 0 JFADLO CC[C@@H]1C(=O)NCCN1c1nnc(C(C)(C)C)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001293220795 1065872877 /nfs/dbraw/zinc/87/28/77/1065872877.db2.gz VCQJFNNUWGPUSK-NHCUHLMSSA-N 1 2 454.619 2.672 20 0 JFADLO CC[C@@H]1c2ccsc2CCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001293288889 1065935023 /nfs/dbraw/zinc/93/50/23/1065935023.db2.gz LMZCPYHHCWBUKW-MAUKXSAKSA-N 1 2 489.671 2.973 20 0 JFADLO CC[C@@H]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001293345253 1065957570 /nfs/dbraw/zinc/95/75/70/1065957570.db2.gz PWWZWXVZOXCVBW-RCCFBDPRSA-N 1 2 475.663 2.738 20 0 JFADLO Cc1ccc(S(=O)(=O)NC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c2ccccc2)c(C)c1 ZINC001293398888 1065993401 /nfs/dbraw/zinc/99/34/01/1065993401.db2.gz OJCCAWZEPCGSEV-IRLDBZIGSA-N 1 2 452.580 2.898 20 0 JFADLO CC[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001293463066 1066016270 /nfs/dbraw/zinc/01/62/70/1066016270.db2.gz NBNKFMUPVYKWNA-PZJWPPBQSA-N 1 2 475.659 2.942 20 0 JFADLO CC[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001293463066 1066016280 /nfs/dbraw/zinc/01/62/80/1066016280.db2.gz NBNKFMUPVYKWNA-PZJWPPBQSA-N 1 2 475.659 2.942 20 0 JFADLO CC[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](c2ccco2)[NH+](C)C)CCO1 ZINC001293538919 1066056487 /nfs/dbraw/zinc/05/64/87/1066056487.db2.gz GYHOKWBSUXTDNR-QUCCMNQESA-N 1 2 473.599 2.860 20 0 JFADLO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[S@](=O)CC)C[C@@H]1[NH+]1CCOCC1 ZINC001293552473 1066067542 /nfs/dbraw/zinc/06/75/42/1066067542.db2.gz OVMQXDISITXECS-VISVZJTESA-N 1 2 466.051 2.914 20 0 JFADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CC)CCCC2)CC[N@@H+]1CCOC ZINC001293593490 1066099358 /nfs/dbraw/zinc/09/93/58/1066099358.db2.gz GHYZHAGSHJBTCF-VQTJNVASSA-N 1 2 467.680 2.698 20 0 JFADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CC)CCCC2)CC[N@H+]1CCOC ZINC001293593490 1066099373 /nfs/dbraw/zinc/09/93/73/1066099373.db2.gz GHYZHAGSHJBTCF-VQTJNVASSA-N 1 2 467.680 2.698 20 0 JFADLO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccs2)[NH+](C)C)CCS1 ZINC001293596971 1066109127 /nfs/dbraw/zinc/10/91/27/1066109127.db2.gz WYDUUZDAKWWDQA-ZACQAIPSSA-N 1 2 469.702 2.876 20 0 JFADLO CC[C@@H]1CN(c2nnc(COc3ccccc3OC)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@@H](C)O1 ZINC001293645531 1066160768 /nfs/dbraw/zinc/16/07/68/1066160768.db2.gz WACTWDXCAYKCSX-XUVXKRRUSA-N 1 2 459.591 2.590 20 0 JFADLO CC[C@@H]1CN(c2nnc(COc3ccccc3OC)n2CC[N@H+]2CCOC[C@@H]2C)C[C@@H](C)O1 ZINC001293645531 1066160771 /nfs/dbraw/zinc/16/07/71/1066160771.db2.gz WACTWDXCAYKCSX-XUVXKRRUSA-N 1 2 459.591 2.590 20 0 JFADLO CC[C@H]1CN(c2nnc(CSc3ccccc3OC)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001293652495 1066164257 /nfs/dbraw/zinc/16/42/57/1066164257.db2.gz PLDMOWMXNYEROA-MOPGFXCFSA-N 1 2 461.632 2.915 20 0 JFADLO CC[C@@H]1CN(c2nnc(CSc3ccccc3OC)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001293652503 1066164694 /nfs/dbraw/zinc/16/46/94/1066164694.db2.gz PLDMOWMXNYEROA-RTBURBONSA-N 1 2 461.632 2.915 20 0 JFADLO CC/C=C\Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001293684038 1066174129 /nfs/dbraw/zinc/17/41/29/1066174129.db2.gz VFTJXPQMMIBFMO-WAYWQWQTSA-N 1 2 468.602 2.673 20 0 JFADLO Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)Nc3cc(C[NH+]4CCOCC4)ccc3C)cc12 ZINC001293695495 1066176490 /nfs/dbraw/zinc/17/64/90/1066176490.db2.gz AHJJOFSDKWTXEJ-INIZCTEOSA-N 1 2 455.584 2.841 20 0 JFADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1 ZINC001293763286 1066249775 /nfs/dbraw/zinc/24/97/75/1066249775.db2.gz IURPBQOIOCHBJS-ROUUACIJSA-N 1 2 459.591 2.608 20 0 JFADLO CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)cc1 ZINC001293773548 1066263715 /nfs/dbraw/zinc/26/37/15/1066263715.db2.gz UAANJTLQMQKIAZ-HXUWFJFHSA-N 1 2 458.628 2.950 20 0 JFADLO CCC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)OC ZINC001293953803 1066452272 /nfs/dbraw/zinc/45/22/72/1066452272.db2.gz VFAPEZMOMKXARI-FQEVSTJZSA-N 1 2 484.649 2.878 20 0 JFADLO CCC[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1)OC ZINC001293969028 1066470094 /nfs/dbraw/zinc/47/00/94/1066470094.db2.gz PJCLVGQHHDGUJF-FPOVZHCZSA-N 1 2 471.650 2.668 20 0 JFADLO CCC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)OC ZINC001293972249 1066474712 /nfs/dbraw/zinc/47/47/12/1066474712.db2.gz PQHLQICUOXIPND-RBUKOAKNSA-N 1 2 470.622 2.593 20 0 JFADLO CCC[C@@H]1CN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)CCO1 ZINC001294054962 1066527871 /nfs/dbraw/zinc/52/78/71/1066527871.db2.gz QRKJCOUCVOYXPY-SIKLNZKXSA-N 1 2 499.660 2.870 20 0 JFADLO CCC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC(F)(F)C2)CC[N@@H+]1CCOC ZINC001294085069 1066554813 /nfs/dbraw/zinc/55/48/13/1066554813.db2.gz CXLRJJVQFCMVCG-GUDVDZBRSA-N 1 2 489.633 2.553 20 0 JFADLO CCC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC(F)(F)C2)CC[N@H+]1CCOC ZINC001294085069 1066554817 /nfs/dbraw/zinc/55/48/17/1066554817.db2.gz CXLRJJVQFCMVCG-GUDVDZBRSA-N 1 2 489.633 2.553 20 0 JFADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(-c4ccc(C5OCCCO5)cc4)cn3)CC2)C1=O ZINC001164641064 719278371 /nfs/dbraw/zinc/27/83/71/719278371.db2.gz RXGSNEJZVVZFBQ-UHFFFAOYSA-N 1 2 480.609 2.944 20 0 JFADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(-c4ccc(C5OCCCO5)cc4)cn3)CC2)C1=O ZINC001164641064 719278377 /nfs/dbraw/zinc/27/83/77/719278377.db2.gz RXGSNEJZVVZFBQ-UHFFFAOYSA-N 1 2 480.609 2.944 20 0 JFADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(C(=O)Nc4cccc(Cl)c4)cn3)CC2)C1=O ZINC001164644313 719280579 /nfs/dbraw/zinc/28/05/79/719280579.db2.gz HYESNOBMGWZTOQ-UHFFFAOYSA-N 1 2 471.989 2.747 20 0 JFADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(C(=O)Nc4cccc(Cl)c4)cn3)CC2)C1=O ZINC001164644313 719280580 /nfs/dbraw/zinc/28/05/80/719280580.db2.gz HYESNOBMGWZTOQ-UHFFFAOYSA-N 1 2 471.989 2.747 20 0 JFADLO COCCN1CC[N@H+](C)C2(CCN(c3cnc(Cl)nc3Oc3cccc(C)c3)CC2)C1=O ZINC001164644479 719284123 /nfs/dbraw/zinc/28/41/23/719284123.db2.gz LEJVKWXDETYPLK-UHFFFAOYSA-N 1 2 459.978 2.990 20 0 JFADLO COCCN1CC[N@@H+](C)C2(CCN(c3cnc(Cl)nc3Oc3cccc(C)c3)CC2)C1=O ZINC001164644479 719284125 /nfs/dbraw/zinc/28/41/25/719284125.db2.gz LEJVKWXDETYPLK-UHFFFAOYSA-N 1 2 459.978 2.990 20 0 JFADLO NC(=O)c1nc(Cl)nc(Cl)c1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164671584 719512132 /nfs/dbraw/zinc/51/21/32/719512132.db2.gz GGJMPBMJBOEAIS-UHFFFAOYSA-N 1 2 454.333 2.893 20 0 JFADLO NC(=O)c1nc(Cl)nc(Cl)c1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164671584 719512138 /nfs/dbraw/zinc/51/21/38/719512138.db2.gz GGJMPBMJBOEAIS-UHFFFAOYSA-N 1 2 454.333 2.893 20 0 JFADLO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164669817 719518003 /nfs/dbraw/zinc/51/80/03/719518003.db2.gz AGIARLAALHJBPE-UHFFFAOYSA-N 1 2 499.587 2.500 20 0 JFADLO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164669817 719518005 /nfs/dbraw/zinc/51/80/05/719518005.db2.gz AGIARLAALHJBPE-UHFFFAOYSA-N 1 2 499.587 2.500 20 0 JFADLO O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@]1(F)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164677709 719566291 /nfs/dbraw/zinc/56/62/91/719566291.db2.gz RVGTZXGETGRWHB-QFIPXVFZSA-N 1 2 486.939 2.788 20 0 JFADLO O=C(c1cccnc1N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164690637 719768609 /nfs/dbraw/zinc/76/86/09/719768609.db2.gz GLIZILQHXUUGNC-CLJLJLNGSA-N 1 2 496.615 2.814 20 0 JFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C(=O)NCc2ccccc2)cc(Cl)n1 ZINC001164699311 719845105 /nfs/dbraw/zinc/84/51/05/719845105.db2.gz HDXHNSVNFBMFPF-NLFFAJNJSA-N 1 2 487.000 2.898 20 0 JFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2cc(OC)c(OC)cc2nc1Cl ZINC001164700104 719855950 /nfs/dbraw/zinc/85/59/50/719855950.db2.gz GKIKLRKGHXOKBG-JLCFBVMHSA-N 1 2 464.950 2.533 20 0 JFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C(OC)OC)ccc1NC(=O)C(C)(C)C ZINC001164700963 719862843 /nfs/dbraw/zinc/86/28/43/719862843.db2.gz ITUSDXFBZMFTAC-GKVSMKOHSA-N 1 2 492.617 2.590 20 0 JFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2c(-c3ccccc3)nsc21 ZINC001164700686 719869440 /nfs/dbraw/zinc/86/94/40/719869440.db2.gz FLKXCWBDFYZOGW-SBUREZEXSA-N 1 2 453.568 2.986 20 0 JFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2c(-c3ccccc3)nsc21 ZINC001164700688 719869458 /nfs/dbraw/zinc/86/94/58/719869458.db2.gz FLKXCWBDFYZOGW-UZUQRXQVSA-N 1 2 453.568 2.986 20 0 JFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(C(=O)NC2CCCC2)cc1Cl ZINC001164700440 719869840 /nfs/dbraw/zinc/86/98/40/719869840.db2.gz DMNDPUFEENJYIR-FDDCHVKYSA-N 1 2 464.994 2.640 20 0 JFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C)c(Cc2ccc(OC)cc2)c(C)n1 ZINC001164707633 719876792 /nfs/dbraw/zinc/87/67/92/719876792.db2.gz URSAKSJKUIXENK-QFQXNSOFSA-N 1 2 468.598 2.926 20 0 JFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)COC(=O)Nc1ccc(Cl)nc1 ZINC001164705359 719879271 /nfs/dbraw/zinc/87/92/71/719879271.db2.gz YGOAOBDPGSFVTP-KXBFYZLASA-N 1 2 476.908 2.605 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)CC2 ZINC001164709004 719908179 /nfs/dbraw/zinc/90/81/79/719908179.db2.gz OZXJSPRFBHXIDB-UHFFFAOYSA-N 1 2 493.921 2.651 20 0 JFADLO COc1cnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c2cc(Cl)ccc12 ZINC001164708665 719908601 /nfs/dbraw/zinc/90/86/01/719908601.db2.gz FUQFNYQVOHOTFK-UHFFFAOYSA-N 1 2 454.962 2.581 20 0 JFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(Cl)c4cc(OC)ccc4n3)C2)C1 ZINC001164720527 720291211 /nfs/dbraw/zinc/29/12/11/720291211.db2.gz AJWPAMRTYWVHTE-NRFANRHFSA-N 1 2 483.947 2.502 20 0 JFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(Cl)c4cc(OC)ccc4n3)C2)C1 ZINC001164720527 720291218 /nfs/dbraw/zinc/29/12/18/720291218.db2.gz AJWPAMRTYWVHTE-NRFANRHFSA-N 1 2 483.947 2.502 20 0 JFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN([C@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)C2)C1 ZINC001164723255 720296263 /nfs/dbraw/zinc/29/62/63/720296263.db2.gz VRKLQXOSDZVXSQ-GOTSBHOMSA-N 1 2 477.968 2.589 20 0 JFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN([C@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)C2)C1 ZINC001164723255 720296282 /nfs/dbraw/zinc/29/62/82/720296282.db2.gz VRKLQXOSDZVXSQ-GOTSBHOMSA-N 1 2 477.968 2.589 20 0 JFADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1[C@](F)(COc1cncc(Cl)n1)C(F)F ZINC001164723376 720315974 /nfs/dbraw/zinc/31/59/74/720315974.db2.gz OJJPJRLNTJMWPA-AUUYWEPGSA-N 1 2 460.888 2.953 20 0 JFADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1[C@](F)(COc1cncc(Cl)n1)C(F)F ZINC001164723377 720316499 /nfs/dbraw/zinc/31/64/99/720316499.db2.gz OJJPJRLNTJMWPA-IFXJQAMLSA-N 1 2 460.888 2.953 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5c4CSCC5)CC3)C2=O)cs1 ZINC001164823231 720361684 /nfs/dbraw/zinc/36/16/84/720361684.db2.gz CPDICOSPJPLDGQ-UHFFFAOYSA-N 1 2 479.075 2.997 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5c4CSCC5)CC3)C2=O)cs1 ZINC001164823231 720361691 /nfs/dbraw/zinc/36/16/91/720361691.db2.gz CPDICOSPJPLDGQ-UHFFFAOYSA-N 1 2 479.075 2.997 20 0 JFADLO CCOC(=O)c1cc2ccnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)c2[nH]1 ZINC001164825661 720366113 /nfs/dbraw/zinc/36/61/13/720366113.db2.gz SSQPTUHHTBIBLW-UHFFFAOYSA-N 1 2 482.610 2.818 20 0 JFADLO CCOC(=O)c1cc2ccnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)c2[nH]1 ZINC001164825661 720366122 /nfs/dbraw/zinc/36/61/22/720366122.db2.gz SSQPTUHHTBIBLW-UHFFFAOYSA-N 1 2 482.610 2.818 20 0 JFADLO COC(=O)c1c(C)cc(C)[nH+]c1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CCN2C ZINC001164824798 720368442 /nfs/dbraw/zinc/36/84/42/720368442.db2.gz LUZDUQHWAXMOEZ-UHFFFAOYSA-N 1 2 457.600 2.563 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(-c5ccccc5)nc(N(C)C)n4)CC3)C2=O)cs1 ZINC001164819718 720373390 /nfs/dbraw/zinc/37/33/90/720373390.db2.gz HCJPCYLEOQMACP-UHFFFAOYSA-N 1 2 492.653 2.683 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(-c5ccccc5)nc(N(C)C)n4)CC3)C2=O)cs1 ZINC001164819718 720373398 /nfs/dbraw/zinc/37/33/98/720373398.db2.gz HCJPCYLEOQMACP-UHFFFAOYSA-N 1 2 492.653 2.683 20 0 JFADLO CCOC(=O)/C=C/c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc1 ZINC001164820027 720375118 /nfs/dbraw/zinc/37/51/18/720375118.db2.gz KLKISCHXLPBUMA-SOFGYWHQSA-N 1 2 469.611 2.736 20 0 JFADLO CCOC(=O)/C=C/c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc1 ZINC001164820027 720375125 /nfs/dbraw/zinc/37/51/25/720375125.db2.gz KLKISCHXLPBUMA-SOFGYWHQSA-N 1 2 469.611 2.736 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncccc4C(=O)OC(C)C)CC3)C2=O)cs1 ZINC001164821098 720384518 /nfs/dbraw/zinc/38/45/18/720384518.db2.gz DRSPMNAQZUBLME-UHFFFAOYSA-N 1 2 457.600 2.725 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncccc4C(=O)OC(C)C)CC3)C2=O)cs1 ZINC001164821098 720384526 /nfs/dbraw/zinc/38/45/26/720384526.db2.gz DRSPMNAQZUBLME-UHFFFAOYSA-N 1 2 457.600 2.725 20 0 JFADLO C[Si](C)(C)c1ccc(Cl)nc1OC(F)(F)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164828183 720397768 /nfs/dbraw/zinc/39/77/68/720397768.db2.gz INPNSMLHVXUJLF-UHFFFAOYSA-N 1 2 467.984 2.952 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3cccc(F)c31)C2 ZINC001164822767 720444707 /nfs/dbraw/zinc/44/47/07/720444707.db2.gz HRKBZDPICPYGKK-HNNXBMFYSA-N 1 2 460.941 2.608 20 0 JFADLO CCOC(=O)c1cc2c(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)[nH]c(C)c(C)c-2n1 ZINC001164830167 720460936 /nfs/dbraw/zinc/46/09/36/720460936.db2.gz JFKPWLHWRWJVLQ-IBGZPJMESA-N 1 2 496.612 2.543 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(-c3ccccc3Cl)nn1)C2 ZINC001164832325 720462593 /nfs/dbraw/zinc/46/25/93/720462593.db2.gz UIZVAIRIEJUAAW-GOSISDBHSA-N 1 2 468.989 2.983 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)cc(Cc3ccccc3)n1)C2 ZINC001164829960 720465182 /nfs/dbraw/zinc/46/51/82/720465182.db2.gz IKTPATRADGUCDU-HXUWFJFHSA-N 1 2 483.016 2.907 20 0 JFADLO CCc1nc(Cl)c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c(Cl)n1 ZINC001164831790 720473849 /nfs/dbraw/zinc/47/38/49/720473849.db2.gz QJJYUGOSPIGXTO-CQSZACIVSA-N 1 2 455.390 2.532 20 0 JFADLO CSc1ccc2ncnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c2c1 ZINC001164831023 720481079 /nfs/dbraw/zinc/48/10/79/720481079.db2.gz DSVAHAPFCRTPBB-QGZVFWFLSA-N 1 2 454.600 2.538 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cc(Cl)nc3c1CCC3)C2 ZINC001164833098 720484142 /nfs/dbraw/zinc/48/41/42/720484142.db2.gz LZAUNEQIAHPWRZ-MRXNPFEDSA-N 1 2 481.975 2.955 20 0 JFADLO O=C(NCc1ccccn1)[C@@H]1CCO[C@@H]2CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]21 ZINC001164757644 721018945 /nfs/dbraw/zinc/01/89/45/721018945.db2.gz FNRYNFVXNRBSRS-FKCDAAJZSA-N 1 2 498.631 2.978 20 0 JFADLO O=C(NCc1ccccn1)[C@@H]1CCO[C@@H]2CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]21 ZINC001164757644 721018951 /nfs/dbraw/zinc/01/89/51/721018951.db2.gz FNRYNFVXNRBSRS-FKCDAAJZSA-N 1 2 498.631 2.978 20 0 JFADLO Cn1cccc1C(=O)N[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@@H]2CCCO[C@@H]12 ZINC001164764063 721063299 /nfs/dbraw/zinc/06/32/99/721063299.db2.gz ATWREPCPFDSVRI-OYRHQHFDSA-N 1 2 472.593 2.540 20 0 JFADLO Cn1cccc1C(=O)N[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@@H]2CCCO[C@@H]12 ZINC001164764063 721063302 /nfs/dbraw/zinc/06/33/02/721063302.db2.gz ATWREPCPFDSVRI-OYRHQHFDSA-N 1 2 472.593 2.540 20 0 JFADLO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncccc4S(=O)(=O)Nc4cccc(F)c4)C[C@@H]3C2)cn1 ZINC001164770117 721219897 /nfs/dbraw/zinc/21/98/97/721219897.db2.gz NETRKSFKRZOQSF-OALUTQOASA-N 1 2 470.574 2.713 20 0 JFADLO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncccc4S(=O)(=O)Nc4cccc(F)c4)C[C@@H]3C2)cn1 ZINC001164770117 721219908 /nfs/dbraw/zinc/21/99/08/721219908.db2.gz NETRKSFKRZOQSF-OALUTQOASA-N 1 2 470.574 2.713 20 0 JFADLO O=C(NCc1ccco1)[C@@H]1COC[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]21 ZINC001164759558 721252533 /nfs/dbraw/zinc/25/25/33/721252533.db2.gz AWFFXHSVASRIFB-JCTONOIOSA-N 1 2 473.577 2.643 20 0 JFADLO O=C(NCc1ccco1)[C@@H]1COC[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]21 ZINC001164759558 721252541 /nfs/dbraw/zinc/25/25/41/721252541.db2.gz AWFFXHSVASRIFB-JCTONOIOSA-N 1 2 473.577 2.643 20 0 JFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncnc3c1ccn3S(=O)(=O)c1ccccc1)C2 ZINC001165010893 721699848 /nfs/dbraw/zinc/69/98/48/721699848.db2.gz OKSSLHSUZKUZOB-UHFFFAOYSA-N 1 2 480.598 2.510 20 0 JFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncnc3c1ccn3S(=O)(=O)c1ccccc1)C2 ZINC001165010893 721699857 /nfs/dbraw/zinc/69/98/57/721699857.db2.gz OKSSLHSUZKUZOB-UHFFFAOYSA-N 1 2 480.598 2.510 20 0 JFADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1cc(Cl)nc(Cl)c1)CC2 ZINC001165015578 721765154 /nfs/dbraw/zinc/76/51/54/721765154.db2.gz RWFITLFJGVGBPW-UHFFFAOYSA-N 1 2 470.311 2.856 20 0 JFADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1cc(Cl)cnc1Cl)CC2 ZINC001165014241 721765189 /nfs/dbraw/zinc/76/51/89/721765189.db2.gz FSQMAVDCZXESGB-UHFFFAOYSA-N 1 2 470.311 2.856 20 0 JFADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1ccc3ncc(Cl)nc3c1)CC2 ZINC001165014810 721765241 /nfs/dbraw/zinc/76/52/41/721765241.db2.gz JOWSTTUKNDRNAE-UHFFFAOYSA-N 1 2 486.914 2.751 20 0 JFADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1ccc3c(Cl)ncnc3c1)CC2 ZINC001165015333 721765626 /nfs/dbraw/zinc/76/56/26/721765626.db2.gz OLWLQTAPFZSPMT-UHFFFAOYSA-N 1 2 486.914 2.751 20 0 JFADLO CCOC(=O)c1c(Cl)cc(C)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912446 721770006 /nfs/dbraw/zinc/77/00/06/721770006.db2.gz MASJJYZYTXMAIT-QHCPKHFHSA-N 1 2 460.962 2.723 20 0 JFADLO CCOC(=O)c1c(Cl)cc(C)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912446 721770011 /nfs/dbraw/zinc/77/00/11/721770011.db2.gz MASJJYZYTXMAIT-QHCPKHFHSA-N 1 2 460.962 2.723 20 0 JFADLO CCOC(=O)c1c(C)cc(Cl)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164910241 721776676 /nfs/dbraw/zinc/77/66/76/721776676.db2.gz AUBXCTXNULBYSD-HSZRJFAPSA-N 1 2 460.962 2.723 20 0 JFADLO CCOC(=O)c1c(C)cc(Cl)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164910241 721776679 /nfs/dbraw/zinc/77/66/79/721776679.db2.gz AUBXCTXNULBYSD-HSZRJFAPSA-N 1 2 460.962 2.723 20 0 JFADLO CCOC(=O)c1c(C)nc(Cl)cc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164910379 721776714 /nfs/dbraw/zinc/77/67/14/721776714.db2.gz BLGKBNQWFZILFJ-HSZRJFAPSA-N 1 2 460.962 2.723 20 0 JFADLO CCOC(=O)c1c(C)nc(Cl)cc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164910379 721776716 /nfs/dbraw/zinc/77/67/16/721776716.db2.gz BLGKBNQWFZILFJ-HSZRJFAPSA-N 1 2 460.962 2.723 20 0 JFADLO COc1cc2nc(Cl)c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2cc1OC ZINC001164914865 721784329 /nfs/dbraw/zinc/78/43/29/721784329.db2.gz GMOUUDKCNKTZMF-XMMPIXPASA-N 1 2 485.972 2.803 20 0 JFADLO COc1cc2nc(Cl)c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2cc1OC ZINC001164914865 721784342 /nfs/dbraw/zinc/78/43/42/721784342.db2.gz GMOUUDKCNKTZMF-XMMPIXPASA-N 1 2 485.972 2.803 20 0 JFADLO CC(C)(C)NC(=O)c1ccc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916038 721786127 /nfs/dbraw/zinc/78/61/27/721786127.db2.gz OEIOGQCWVNPAJZ-DEOSSOPVSA-N 1 2 474.005 2.766 20 0 JFADLO CC(C)(C)NC(=O)c1ccc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916038 721786131 /nfs/dbraw/zinc/78/61/31/721786131.db2.gz OEIOGQCWVNPAJZ-DEOSSOPVSA-N 1 2 474.005 2.766 20 0 JFADLO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914068 721791606 /nfs/dbraw/zinc/79/16/06/721791606.db2.gz AUVDMTYKCSEWNS-IBGZPJMESA-N 1 2 474.339 2.917 20 0 JFADLO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914068 721791610 /nfs/dbraw/zinc/79/16/10/721791610.db2.gz AUVDMTYKCSEWNS-IBGZPJMESA-N 1 2 474.339 2.917 20 0 JFADLO FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913691 721796305 /nfs/dbraw/zinc/79/63/05/721796305.db2.gz FZLOUNVCUIRMMK-HXUWFJFHSA-N 1 2 464.904 2.659 20 0 JFADLO FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913691 721796307 /nfs/dbraw/zinc/79/63/07/721796307.db2.gz FZLOUNVCUIRMMK-HXUWFJFHSA-N 1 2 464.904 2.659 20 0 JFADLO COc1ccc(OC)c(-c2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)c1 ZINC001164914420 721797289 /nfs/dbraw/zinc/79/72/89/721797289.db2.gz NERCXGAQNFBOSZ-AREMUKBSSA-N 1 2 477.565 2.664 20 0 JFADLO COc1ccc(OC)c(-c2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)c1 ZINC001164914420 721797292 /nfs/dbraw/zinc/79/72/92/721797292.db2.gz NERCXGAQNFBOSZ-AREMUKBSSA-N 1 2 477.565 2.664 20 0 JFADLO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915764 721801018 /nfs/dbraw/zinc/80/10/18/721801018.db2.gz ZPQQIJXBENHRIN-NRFANRHFSA-N 1 2 497.930 2.875 20 0 JFADLO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915764 721801020 /nfs/dbraw/zinc/80/10/20/721801020.db2.gz ZPQQIJXBENHRIN-NRFANRHFSA-N 1 2 497.930 2.875 20 0 JFADLO Cc1cc2nc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)nc(N3CCOCC3)c2s1 ZINC001164917268 721817202 /nfs/dbraw/zinc/81/72/02/721817202.db2.gz FTKDXMKPOZLESV-UHFFFAOYSA-N 1 2 453.616 2.782 20 0 JFADLO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)n1 ZINC001164918307 721817941 /nfs/dbraw/zinc/81/79/41/721817941.db2.gz NDNXBXNFKPZDGL-UHFFFAOYSA-N 1 2 454.575 2.799 20 0 JFADLO Cc1cnc2n1CCN(C)C21CCN(c2nc3c(ccn3S(=O)(=O)c3ccccc3)c[nH+]2)CC1 ZINC001164919072 721818565 /nfs/dbraw/zinc/81/85/65/721818565.db2.gz ZNPKJSXYTPEWFE-UHFFFAOYSA-N 1 2 477.594 2.614 20 0 JFADLO CCOC(=O)c1c(C)cc(N2CCO[C@@]3(C2)COCCN(Cc2csc(C)n2)C3)[nH+]c1C ZINC001164921852 721829358 /nfs/dbraw/zinc/82/93/58/721829358.db2.gz MLHONUPRYSAURC-QHCPKHFHSA-N 1 2 460.600 2.748 20 0 JFADLO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(Cl)nc(S(C)(=O)=O)n4)CC3)C2)cc1 ZINC001164937608 721920277 /nfs/dbraw/zinc/92/02/77/721920277.db2.gz FAVUXGOUFQRDAL-UHFFFAOYSA-N 1 2 450.992 2.713 20 0 JFADLO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(Cl)nc(S(C)(=O)=O)n4)CC3)C2)cc1 ZINC001164937608 721920280 /nfs/dbraw/zinc/92/02/80/721920280.db2.gz FAVUXGOUFQRDAL-UHFFFAOYSA-N 1 2 450.992 2.713 20 0 JFADLO O=C([C@H]1COc2ccccc2O1)N1CCN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CC1 ZINC001165049235 721980489 /nfs/dbraw/zinc/98/04/89/721980489.db2.gz JKUFOBRPJGRFIG-RUZDIDTESA-N 1 2 471.561 2.524 20 0 JFADLO O=C([C@H]1COc2ccccc2O1)N1CCN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC001165049235 721980494 /nfs/dbraw/zinc/98/04/94/721980494.db2.gz JKUFOBRPJGRFIG-RUZDIDTESA-N 1 2 471.561 2.524 20 0 JFADLO CC(=O)N1[C@@H]2CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164969636 722080085 /nfs/dbraw/zinc/08/00/85/722080085.db2.gz LUJNOAYNYDUWLJ-MVERNJQCSA-N 1 2 471.609 2.747 20 0 JFADLO CC(=O)N1[C@@H]2CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164969636 722080086 /nfs/dbraw/zinc/08/00/86/722080086.db2.gz LUJNOAYNYDUWLJ-MVERNJQCSA-N 1 2 471.609 2.747 20 0 JFADLO CC(C)NC(=O)[C@H]1C[C@@H]2[C@H](C1)OCCN2c1ncccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164995522 722215360 /nfs/dbraw/zinc/21/53/60/722215360.db2.gz JPCZSOQZFFZDHH-CAOCKLPOSA-N 1 2 491.636 2.548 20 0 JFADLO COCCO[C@H]1CCN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@@H]1Cc1cnn(C)c1 ZINC001164999311 722222747 /nfs/dbraw/zinc/22/27/47/722222747.db2.gz QISNJUQSBDSWGQ-RPBOFIJWSA-N 1 2 462.598 2.621 20 0 JFADLO COCCO[C@H]1CCN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@@H]1Cc1cnn(C)c1 ZINC001164999311 722222751 /nfs/dbraw/zinc/22/27/51/722222751.db2.gz QISNJUQSBDSWGQ-RPBOFIJWSA-N 1 2 462.598 2.621 20 0 JFADLO COCCO[C@H]1CCN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@H]1Cc1cnn(C)c1 ZINC001164999308 722222795 /nfs/dbraw/zinc/22/27/95/722222795.db2.gz QISNJUQSBDSWGQ-DQEYMECFSA-N 1 2 462.598 2.621 20 0 JFADLO COCCO[C@H]1CCN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@H]1Cc1cnn(C)c1 ZINC001164999308 722222800 /nfs/dbraw/zinc/22/28/00/722222800.db2.gz QISNJUQSBDSWGQ-DQEYMECFSA-N 1 2 462.598 2.621 20 0 JFADLO CC(C)(C)C(=O)N1CCO[C@H](C(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC001264401076 1059590794 /nfs/dbraw/zinc/59/07/94/1059590794.db2.gz GDXZDBDMVJAQBA-SFHVURJKSA-N 1 2 457.493 2.503 20 0 JFADLO C[C@H](C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc2ccccc2c1 ZINC001264557988 1059613394 /nfs/dbraw/zinc/61/33/94/1059613394.db2.gz XEIBOBNQFDMHLU-IBGZPJMESA-N 1 2 452.580 2.607 20 0 JFADLO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC001265469996 1059867413 /nfs/dbraw/zinc/86/74/13/1059867413.db2.gz UJCANUUQEUTXKX-HSZRJFAPSA-N 1 2 451.550 2.756 20 0 JFADLO CC[NH+](CC)Cc1nc(C2(NC(=O)[C@H]3CCCN(C(=O)c4ccncc4)C3)CCCC2)no1 ZINC001265780955 1059924108 /nfs/dbraw/zinc/92/41/08/1059924108.db2.gz QJEYYYNABKNMSD-IBGZPJMESA-N 1 2 454.575 2.744 20 0 JFADLO C/C(=C\c1ccccc1)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001286837410 1061092224 /nfs/dbraw/zinc/09/22/24/1061092224.db2.gz DUZVBRXFFIXCKV-YDPLAMGBSA-N 1 2 455.628 2.982 20 0 JFADLO C/C(=C\c1ccccc1)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CC=CCC1 ZINC001286837410 1061092241 /nfs/dbraw/zinc/09/22/41/1061092241.db2.gz DUZVBRXFFIXCKV-YDPLAMGBSA-N 1 2 455.628 2.982 20 0 JFADLO CC(=O)N1CC[C@@H](CN(C)c2nnc(C(C)(C)C)n2C[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC001286844373 1061131409 /nfs/dbraw/zinc/13/14/09/1061131409.db2.gz BIUJJNDWNZKSSA-GMAHTHKFSA-N 1 2 468.646 2.954 20 0 JFADLO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001286853288 1061196180 /nfs/dbraw/zinc/19/61/80/1061196180.db2.gz YVZFNBQFICTECV-GHTZIAJQSA-N 1 2 475.037 2.548 20 0 JFADLO CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CCCNc2cccc[nH+]2)CC12CCCCC2 ZINC001286867147 1061251748 /nfs/dbraw/zinc/25/17/48/1061251748.db2.gz KVNJVEXVSCBXOU-UHFFFAOYSA-N 1 2 482.633 2.685 20 0 JFADLO Cc1ccc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(Cn3cc[nH+]c3)c2)o1 ZINC001289634741 1061268690 /nfs/dbraw/zinc/26/86/90/1061268690.db2.gz JVBCICIGDHLPHF-GOSISDBHSA-N 1 2 483.598 2.719 20 0 JFADLO CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001286880339 1061302587 /nfs/dbraw/zinc/30/25/87/1061302587.db2.gz QCUXXSMDYLWPDK-PMACEKPBSA-N 1 2 462.545 2.769 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(N3CCN(c4cc(C)ccc4C)CC3)nnc2C(C)(C)C)CC1 ZINC001286889212 1061346226 /nfs/dbraw/zinc/34/62/26/1061346226.db2.gz GVEKEODLDWBUSE-UHFFFAOYSA-N 1 2 467.662 2.683 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3cccnc3)nnc2N(C)Cc2ccc(F)c(Cl)c2)CC1 ZINC001286889400 1061347972 /nfs/dbraw/zinc/34/79/72/1061347972.db2.gz FSKYYPXHSVMRDO-UHFFFAOYSA-N 1 2 485.995 2.857 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(N(C)CCCOCc3ccccc3)nnc2C(C)(C)C)CC1 ZINC001286889477 1061348732 /nfs/dbraw/zinc/34/87/32/1061348732.db2.gz JDIYHGKPAMIIIJ-UHFFFAOYSA-N 1 2 456.635 2.783 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3csc(C)n3)nnc2N(C)CCOc2ccccc2C)CC1 ZINC001286889732 1061350413 /nfs/dbraw/zinc/35/04/13/1061350413.db2.gz JUGKMYUNSYAZOJ-UHFFFAOYSA-N 1 2 497.669 2.622 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(CCOc3ccccc3)nnc2N2C[C@@H](C)CC[C@H]2C)CC1 ZINC001286889896 1061352286 /nfs/dbraw/zinc/35/22/86/1061352286.db2.gz MRVPFBBYUBFXPP-LEWJYISDSA-N 1 2 454.619 2.689 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(CCc3ccccc3)nnc2N2CCS[C@@H](C)[C@@H]2C)CC1 ZINC001286890504 1061354738 /nfs/dbraw/zinc/35/47/38/1061354738.db2.gz RQRPBQDQAIRPGU-PMACEKPBSA-N 1 2 456.660 2.558 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(CCc3ccccc3)nnc2N2CCS[C@@H](C)[C@H]2C)CC1 ZINC001286890507 1061355021 /nfs/dbraw/zinc/35/50/21/1061355021.db2.gz RQRPBQDQAIRPGU-UXHICEINSA-N 1 2 456.660 2.558 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(CC(C)C)nnc2N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC001286890489 1061355059 /nfs/dbraw/zinc/35/50/59/1061355059.db2.gz RDQMIKMIVZBFCH-FQEVSTJZSA-N 1 2 497.644 2.795 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3cccc(C)c3)nnc2N2CCSC(C)(C)C2)CC1 ZINC001286890942 1061357673 /nfs/dbraw/zinc/35/76/73/1061357673.db2.gz WJYZGTPWMVXKMG-UHFFFAOYSA-N 1 2 472.659 2.661 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3ccccc3F)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001286891264 1061359424 /nfs/dbraw/zinc/35/94/24/1061359424.db2.gz WUPBOGVOAQKCAL-OALUTQOASA-N 1 2 488.608 2.725 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(C3CCCC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001286891553 1061361168 /nfs/dbraw/zinc/36/11/68/1061361168.db2.gz JHMXOTZMPBRGIF-IBGZPJMESA-N 1 2 489.665 2.545 20 0 JFADLO Cc1ccc(NC(=O)c2nnc(Nc3ccn(C)n3)n2CC(C)(C)[NH+]2CCOCC2)cc1C ZINC001289749087 1061370548 /nfs/dbraw/zinc/37/05/48/1061370548.db2.gz YLOWRKJLTZKZGB-UHFFFAOYSA-N 1 2 452.563 2.735 20 0 JFADLO CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCCCO3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001286901359 1061394314 /nfs/dbraw/zinc/39/43/14/1061394314.db2.gz RTRNWLUFYDPZQV-CBNMVNINSA-N 1 2 455.607 2.913 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2CC[N@H+]2CCOC[C@H]2C)cc1 ZINC001289820711 1061482878 /nfs/dbraw/zinc/48/28/78/1061482878.db2.gz HPAAQPUWGFMBRN-OAQYLSRUSA-N 1 2 484.645 2.581 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2CC[N@@H+]2CCOC[C@H]2C)cc1 ZINC001289820711 1061482884 /nfs/dbraw/zinc/48/28/84/1061482884.db2.gz HPAAQPUWGFMBRN-OAQYLSRUSA-N 1 2 484.645 2.581 20 0 JFADLO Cc1ccc(OCc2nnc(N3CC[NH+]([C@H](C)C(=O)N4CCCC4)CC3)n2C[C@@](C)(O)C(C)C)cc1 ZINC001289821880 1061484867 /nfs/dbraw/zinc/48/48/67/1061484867.db2.gz VSYSLSKAETWBED-AJTFRIOCSA-N 1 2 498.672 2.705 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001289826035 1061501024 /nfs/dbraw/zinc/50/10/24/1061501024.db2.gz PRGWYDCVSWMKHP-IBGZPJMESA-N 1 2 482.551 2.571 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[N@H+]2CCOC[C@@H]2C)cc1C ZINC001289828984 1061505120 /nfs/dbraw/zinc/50/51/20/1061505120.db2.gz RMLWBRJUQFRYQJ-ICSRJNTNSA-N 1 2 483.535 2.962 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1C ZINC001289828984 1061505141 /nfs/dbraw/zinc/50/51/41/1061505141.db2.gz RMLWBRJUQFRYQJ-ICSRJNTNSA-N 1 2 483.535 2.962 20 0 JFADLO CC(=O)NCC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001286932249 1061560983 /nfs/dbraw/zinc/56/09/83/1061560983.db2.gz PNSDVCDBQKWEEE-RTBURBONSA-N 1 2 488.608 2.630 20 0 JFADLO CC(=O)NCC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001286932249 1061561004 /nfs/dbraw/zinc/56/10/04/1061561004.db2.gz PNSDVCDBQKWEEE-RTBURBONSA-N 1 2 488.608 2.630 20 0 JFADLO CCC[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@H]2CCCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC001294095988 1061574792 /nfs/dbraw/zinc/57/47/92/1061574792.db2.gz QBWHWERWLCYLBC-FGZHOGPDSA-N 1 2 481.707 2.773 20 0 JFADLO CCC[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@H]2CCCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC001294095988 1061574813 /nfs/dbraw/zinc/57/48/13/1061574813.db2.gz QBWHWERWLCYLBC-FGZHOGPDSA-N 1 2 481.707 2.773 20 0 JFADLO Cc1cccc(C(=O)N2CCCN(c3nnc(C(C)(C)C)n3CC[N@H+]3CCOC[C@H]3C)CC2)c1 ZINC001289890330 1061575865 /nfs/dbraw/zinc/57/58/65/1061575865.db2.gz WJFAHQDEULRWSK-OAQYLSRUSA-N 1 2 468.646 2.957 20 0 JFADLO Cc1cccc(C(=O)N2CCCN(c3nnc(C(C)(C)C)n3CC[N@@H+]3CCOC[C@H]3C)CC2)c1 ZINC001289890330 1061575886 /nfs/dbraw/zinc/57/58/86/1061575886.db2.gz WJFAHQDEULRWSK-OAQYLSRUSA-N 1 2 468.646 2.957 20 0 JFADLO Cc1cccc(C(=O)N2CCCN(c3nnc(C(C)(C)C)n3CC[N@H+]3CCOC[C@@H]3C)CC2)c1 ZINC001289890329 1061576050 /nfs/dbraw/zinc/57/60/50/1061576050.db2.gz WJFAHQDEULRWSK-NRFANRHFSA-N 1 2 468.646 2.957 20 0 JFADLO Cc1cccc(C(=O)N2CCCN(c3nnc(C(C)(C)C)n3CC[N@@H+]3CCOC[C@@H]3C)CC2)c1 ZINC001289890329 1061576072 /nfs/dbraw/zinc/57/60/72/1061576072.db2.gz WJFAHQDEULRWSK-NRFANRHFSA-N 1 2 468.646 2.957 20 0 JFADLO CC(=O)NC[C@H]1CN(c2nnc(CCc3ccccc3)n2CCCc2cccc(C)[nH+]2)CCO1 ZINC001286944370 1061611435 /nfs/dbraw/zinc/61/14/35/1061611435.db2.gz HETWHWQXCJAJRT-DEOSSOPVSA-N 1 2 462.598 2.741 20 0 JFADLO Cc1cccc(-c2nnc(N(CCS(C)(=O)=O)C3CC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC001289938669 1061630071 /nfs/dbraw/zinc/63/00/71/1061630071.db2.gz ZNXPVFIFNFGQKS-OALUTQOASA-N 1 2 490.674 2.550 20 0 JFADLO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(C(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001286954400 1061705026 /nfs/dbraw/zinc/70/50/26/1061705026.db2.gz BFFYMZBEZLZHON-QGZVFWFLSA-N 1 2 462.664 2.809 20 0 JFADLO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(C(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001286954400 1061705048 /nfs/dbraw/zinc/70/50/48/1061705048.db2.gz BFFYMZBEZLZHON-QGZVFWFLSA-N 1 2 462.664 2.809 20 0 JFADLO Cc1nc(C)n(C[C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCCc3cccc(C)[nH+]3)C2)n1 ZINC001290004005 1061729999 /nfs/dbraw/zinc/72/99/99/1061729999.db2.gz WPFGGFHSPXPOIZ-NRFANRHFSA-N 1 2 479.633 2.877 20 0 JFADLO Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCCc3cccc(C)[nH+]3)C2)n1 ZINC001290004012 1061730050 /nfs/dbraw/zinc/73/00/50/1061730050.db2.gz WPFGGFHSPXPOIZ-OAQYLSRUSA-N 1 2 479.633 2.877 20 0 JFADLO Cc1cccc(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CC(C)C)C(C)C)[nH+]1 ZINC001290008967 1061732747 /nfs/dbraw/zinc/73/27/47/1061732747.db2.gz FNPLBBPRHKVQLX-OAQYLSRUSA-N 1 2 478.663 2.818 20 0 JFADLO Cc1cccc(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)[nH+]1 ZINC001290009704 1061734516 /nfs/dbraw/zinc/73/45/16/1061734516.db2.gz PKKBPIYYZZCOJB-XIRDDKMYSA-N 1 2 452.481 2.721 20 0 JFADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(C(C)(C)C)n2CCc2ccc(O)cc2)CC1 ZINC001286971296 1061748981 /nfs/dbraw/zinc/74/89/81/1061748981.db2.gz HOKGFSDDPIYPML-IBGZPJMESA-N 1 2 454.619 2.657 20 0 JFADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(C3CCC3)n2CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001286971965 1061751803 /nfs/dbraw/zinc/75/18/03/1061751803.db2.gz MHFMTSHYRKLDOP-LJQANCHMSA-N 1 2 489.665 2.545 20 0 JFADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccccn2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001286975355 1061776640 /nfs/dbraw/zinc/77/66/40/1061776640.db2.gz LVLBRKAMBYYSNH-HMFYCAOWSA-N 1 2 488.633 2.964 20 0 JFADLO Cc1cccc(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC001290056225 1061776483 /nfs/dbraw/zinc/77/64/83/1061776483.db2.gz UARHNYLRKUOIBO-HXUWFJFHSA-N 1 2 488.633 2.847 20 0 JFADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001286977224 1061789983 /nfs/dbraw/zinc/78/99/83/1061789983.db2.gz RCOCIDNSQMWGIL-WOJBJXKFSA-N 1 2 497.669 2.955 20 0 JFADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC[NH+]1CCSCC1 ZINC001286979459 1061806844 /nfs/dbraw/zinc/80/68/44/1061806844.db2.gz YVSNIIGRSWAYEZ-MSOLQXFVSA-N 1 2 490.699 2.657 20 0 JFADLO Cc1ccccc1-c1nnc(N(C)CCS(C)(=O)=O)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001290109297 1061836547 /nfs/dbraw/zinc/83/65/47/1061836547.db2.gz DOTZIHNCAAPQBN-OALUTQOASA-N 1 2 463.648 2.622 20 0 JFADLO Cc1ccccc1-c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCCNC(=O)C(C)C ZINC001290128690 1061860946 /nfs/dbraw/zinc/86/09/46/1061860946.db2.gz GEEQFNSPVIPDTA-JOCHJYFZSA-N 1 2 495.672 2.549 20 0 JFADLO CC(C)(C)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001287011843 1061943829 /nfs/dbraw/zinc/94/38/29/1061943829.db2.gz RGEDJXWFRPPOQF-INIZCTEOSA-N 1 2 454.497 2.623 20 0 JFADLO CC(C)(C)Cc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1CCCNc1cccc[nH+]1 ZINC001287020711 1061959586 /nfs/dbraw/zinc/95/95/86/1061959586.db2.gz GUCCXKKPVPLKSC-DEOSSOPVSA-N 1 2 468.606 2.578 20 0 JFADLO Cc1ccccc1S(=O)(=O)N1CCN(c2nnc(C(C)C)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001290217600 1061962618 /nfs/dbraw/zinc/96/26/18/1061962618.db2.gz KAAMJBORQLXJIO-UHFFFAOYSA-N 1 2 483.642 2.730 20 0 JFADLO CC(C)(C)Cc1nnc(N2CCN(CC(F)(F)F)CC2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001287034753 1061998725 /nfs/dbraw/zinc/99/87/25/1061998725.db2.gz VNYLSKFUQVEARR-UHFFFAOYSA-N 1 2 481.567 2.831 20 0 JFADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)CCC2 ZINC001290286869 1062015534 /nfs/dbraw/zinc/01/55/34/1062015534.db2.gz DGYGBCOSOVUFOF-QZTJIDSGSA-N 1 2 486.621 2.602 20 0 JFADLO CC(C)(C)[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(F)c(F)c2)CC1 ZINC001287043810 1062016852 /nfs/dbraw/zinc/01/68/52/1062016852.db2.gz MNIXFFDRWVZIGZ-QGZVFWFLSA-N 1 2 467.586 2.622 20 0 JFADLO CC(C)(C)[NH+]1CCN(c2nnc(CCCc3ccccc3)n2CC2(S(C)(=O)=O)CC2)CC1 ZINC001287043806 1062017205 /nfs/dbraw/zinc/01/72/05/1062017205.db2.gz MLNCEFLVCPSBQS-UHFFFAOYSA-N 1 2 459.660 2.951 20 0 JFADLO Cc1cn2c([nH+]1)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)CCC2 ZINC001290287453 1062017653 /nfs/dbraw/zinc/01/76/53/1062017653.db2.gz OAMZVRBVNONOOA-RBUKOAKNSA-N 1 2 484.649 2.630 20 0 JFADLO Cc1cn2c([nH+]1)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccoc1C)CCC2 ZINC001290287600 1062018022 /nfs/dbraw/zinc/01/80/22/1062018022.db2.gz PPALHNYJWHNQPM-MAUKXSAKSA-N 1 2 461.592 2.509 20 0 JFADLO CC(C)(C)[NH+]1CCN(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)c2ccccc2)CC1 ZINC001287044999 1062021708 /nfs/dbraw/zinc/02/17/08/1062021708.db2.gz YLNDNIZXYZQLEB-UHFFFAOYSA-N 1 2 468.627 2.658 20 0 JFADLO CC(C)(C)[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSc2ccccc2)CC1 ZINC001287045175 1062022591 /nfs/dbraw/zinc/02/25/91/1062022591.db2.gz ZMWVOJIGZQKCEE-SFHVURJKSA-N 1 2 463.673 2.893 20 0 JFADLO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001294571073 1062083802 /nfs/dbraw/zinc/08/38/02/1062083802.db2.gz BNTAWIRTLFAOQI-GDBMZVCRSA-N 1 2 456.381 2.884 20 0 JFADLO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001294571073 1062083827 /nfs/dbraw/zinc/08/38/27/1062083827.db2.gz BNTAWIRTLFAOQI-GDBMZVCRSA-N 1 2 456.381 2.884 20 0 JFADLO C[N@@H+]1CCN(C(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001294571671 1062084365 /nfs/dbraw/zinc/08/43/65/1062084365.db2.gz GCPBCNJSJHKQRE-NRFANRHFSA-N 1 2 452.555 2.964 20 0 JFADLO C[N@H+]1CCN(C(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001294571671 1062084383 /nfs/dbraw/zinc/08/43/83/1062084383.db2.gz GCPBCNJSJHKQRE-NRFANRHFSA-N 1 2 452.555 2.964 20 0 JFADLO C[N@@H+]1CCN(C(=O)[C@@H]2CC(c3cccc(Cl)c3F)=NO2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001294573389 1062086795 /nfs/dbraw/zinc/08/67/95/1062086795.db2.gz PVSUSPRJIHMASS-DYVFJYSZSA-N 1 2 454.930 2.639 20 0 JFADLO C[N@H+]1CCN(C(=O)[C@@H]2CC(c3cccc(Cl)c3F)=NO2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001294573389 1062086808 /nfs/dbraw/zinc/08/68/08/1062086808.db2.gz PVSUSPRJIHMASS-DYVFJYSZSA-N 1 2 454.930 2.639 20 0 JFADLO Cc1nc(Cc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCCNc2cccc[nH+]2)cs1 ZINC001290423190 1062164615 /nfs/dbraw/zinc/16/46/15/1062164615.db2.gz HRFAZKACQPHMBV-KRWDZBQOSA-N 1 2 454.604 2.623 20 0 JFADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2Cl)CC1 ZINC001290450467 1062229153 /nfs/dbraw/zinc/22/91/53/1062229153.db2.gz PBGDVALOAGMLBD-UHFFFAOYSA-N 1 2 452.983 2.900 20 0 JFADLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2cccc(NC(=O)OC(C)(C)C)c2Cl)CC1 ZINC001290450467 1062229173 /nfs/dbraw/zinc/22/91/73/1062229173.db2.gz PBGDVALOAGMLBD-UHFFFAOYSA-N 1 2 452.983 2.900 20 0 JFADLO CC(C)(C)S(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001287084549 1062252165 /nfs/dbraw/zinc/25/21/65/1062252165.db2.gz RIHUODKOHASPEB-IBGZPJMESA-N 1 2 463.623 2.896 20 0 JFADLO CC(C)(C)S(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001287084549 1062252181 /nfs/dbraw/zinc/25/21/81/1062252181.db2.gz RIHUODKOHASPEB-IBGZPJMESA-N 1 2 463.623 2.896 20 0 JFADLO CC(C)(C)[S@](=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001287084762 1062254505 /nfs/dbraw/zinc/25/45/05/1062254505.db2.gz APXJDFLSCDANAI-DNPWFYJNSA-N 1 2 489.686 2.923 20 0 JFADLO CC(C)(C)[S@](=O)CCn1c([C@H]2CCCO2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001287086547 1062263366 /nfs/dbraw/zinc/26/33/66/1062263366.db2.gz QHHYIJMQVKVMQJ-ADAMGYNYSA-N 1 2 475.659 2.532 20 0 JFADLO CC(C)(C)[S@@](=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001287089578 1062277451 /nfs/dbraw/zinc/27/74/51/1062277451.db2.gz UACIXHPLQQBCIM-UPTQXZAWSA-N 1 2 463.623 2.790 20 0 JFADLO Cc1ncc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)c3nccs3)CC2)s1 ZINC001290496816 1062287306 /nfs/dbraw/zinc/28/73/06/1062287306.db2.gz APWRZBLAYCEXNS-OAHLLOKOSA-N 1 2 474.660 2.764 20 0 JFADLO Cc1ncc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)c3nccs3)CC2)s1 ZINC001290496815 1062287364 /nfs/dbraw/zinc/28/73/64/1062287364.db2.gz APWRZBLAYCEXNS-HNNXBMFYSA-N 1 2 474.660 2.764 20 0 JFADLO Cc1ncc(C[NH+]2CCN(c3nnc(Cc4cccnc4)n3CCCNC(=O)C(C)C)CC2)s1 ZINC001290497093 1062288121 /nfs/dbraw/zinc/28/81/21/1062288121.db2.gz VDSQIAAWPCWHEP-UHFFFAOYSA-N 1 2 482.658 2.513 20 0 JFADLO Cc1ncc(C[NH+]2CCN(c3nnc(C(C)C)n3C[C@H](N3CCOCC3)C(F)(F)F)CC2)s1 ZINC001290498875 1062291278 /nfs/dbraw/zinc/29/12/78/1062291278.db2.gz XSJSZBLOJXANPE-SFHVURJKSA-N 1 2 487.596 2.752 20 0 JFADLO Cc1nc(Cc2nnc(N3CCN(c4cc[nH+]c(C)n4)CC3)n2CCN(C)CC(F)(F)F)cs1 ZINC001290501015 1062292529 /nfs/dbraw/zinc/29/25/29/1062292529.db2.gz HVBWCTKJKGJNBB-UHFFFAOYSA-N 1 2 495.579 2.553 20 0 JFADLO Cc1nc(N2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CC(=O)NCC(F)F)CC2)cc[nH+]1 ZINC001290501335 1062293056 /nfs/dbraw/zinc/29/30/56/1062293056.db2.gz JVNRWNTUXKDULE-UHFFFAOYSA-N 1 2 494.909 2.544 20 0 JFADLO Cc1nc(N2CCN(c3nnc(CC(C)C)n3CCc3cccc(C(=O)N(C)C)c3)CC2)cc[nH+]1 ZINC001290501389 1062294070 /nfs/dbraw/zinc/29/40/70/1062294070.db2.gz LTPUYNLZVCYSLP-UHFFFAOYSA-N 1 2 476.629 2.846 20 0 JFADLO Cc1nc(N2CCN(c3nnc(-c4ccccc4)n3CCN(C)CC(F)(F)F)CC2)cc[nH+]1 ZINC001290501901 1062296008 /nfs/dbraw/zinc/29/60/08/1062296008.db2.gz UFYOSAZFPIKTAZ-UHFFFAOYSA-N 1 2 460.508 2.864 20 0 JFADLO Cc1nc(N2CCN(c3nnc([C@H]4CCOC4)n3CCCCNC(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC001290501895 1062296160 /nfs/dbraw/zinc/29/61/60/1062296160.db2.gz TYINKALBQLJCLY-IBGZPJMESA-N 1 2 486.621 2.512 20 0 JFADLO Cc1ccccc1Cc1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CCNC(=O)C(C)(C)C ZINC001290502233 1062297260 /nfs/dbraw/zinc/29/72/60/1062297260.db2.gz ZABWEPLNHHFGNM-UHFFFAOYSA-N 1 2 476.629 2.765 20 0 JFADLO CCCN1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCOC[C@H]2C)CC1=O ZINC001294723652 1062302598 /nfs/dbraw/zinc/30/25/98/1062302598.db2.gz ZTIBLVJEGHKLJB-WOJBJXKFSA-N 1 2 488.608 2.727 20 0 JFADLO CCCN1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@H+]2CCOC[C@H]2C)CC1=O ZINC001294723652 1062302624 /nfs/dbraw/zinc/30/26/24/1062302624.db2.gz ZTIBLVJEGHKLJB-WOJBJXKFSA-N 1 2 488.608 2.727 20 0 JFADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC001294735880 1062321520 /nfs/dbraw/zinc/32/15/20/1062321520.db2.gz UFNQKUTXUUILLN-HNNXBMFYSA-N 1 2 459.344 2.981 20 0 JFADLO CC(C)C(=O)N1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001287110373 1062324290 /nfs/dbraw/zinc/32/42/90/1062324290.db2.gz QRXMQNHTEOREIG-FQEVSTJZSA-N 1 2 489.064 2.938 20 0 JFADLO COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC001294740838 1062325767 /nfs/dbraw/zinc/32/57/67/1062325767.db2.gz LYCOXLATZDOGJW-JXFKEZNVSA-N 1 2 459.568 2.758 20 0 JFADLO COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC001294740838 1062325794 /nfs/dbraw/zinc/32/57/94/1062325794.db2.gz LYCOXLATZDOGJW-JXFKEZNVSA-N 1 2 459.568 2.758 20 0 JFADLO COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC001294740840 1062325943 /nfs/dbraw/zinc/32/59/43/1062325943.db2.gz LYCOXLATZDOGJW-OXQOHEQNSA-N 1 2 459.568 2.758 20 0 JFADLO COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC001294740840 1062325964 /nfs/dbraw/zinc/32/59/64/1062325964.db2.gz LYCOXLATZDOGJW-OXQOHEQNSA-N 1 2 459.568 2.758 20 0 JFADLO C[C@@H](NC(=O)c1cnc(CC2CCN(C(=O)OC(C)(C)C)CC2)s1)[C@H]1C[N@H+](C)CCO1 ZINC001294741998 1062328930 /nfs/dbraw/zinc/32/89/30/1062328930.db2.gz NSTCKNZLVYIRHB-NVXWUHKLSA-N 1 2 452.621 2.782 20 0 JFADLO C[C@@H](NC(=O)c1cnc(CC2CCN(C(=O)OC(C)(C)C)CC2)s1)[C@H]1C[N@@H+](C)CCO1 ZINC001294741998 1062328951 /nfs/dbraw/zinc/32/89/51/1062328951.db2.gz NSTCKNZLVYIRHB-NVXWUHKLSA-N 1 2 452.621 2.782 20 0 JFADLO C[C@H](NC(=O)c1cnc(CC2CCN(C(=O)OC(C)(C)C)CC2)s1)[C@@H]1C[N@H+](C)CCO1 ZINC001294741999 1062329124 /nfs/dbraw/zinc/32/91/24/1062329124.db2.gz NSTCKNZLVYIRHB-RDJZCZTQSA-N 1 2 452.621 2.782 20 0 JFADLO C[C@H](NC(=O)c1cnc(CC2CCN(C(=O)OC(C)(C)C)CC2)s1)[C@@H]1C[N@@H+](C)CCO1 ZINC001294741999 1062329147 /nfs/dbraw/zinc/32/91/47/1062329147.db2.gz NSTCKNZLVYIRHB-RDJZCZTQSA-N 1 2 452.621 2.782 20 0 JFADLO CC(C)C(=O)N[C@H]1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccc[nH+]c2N2CCOCC2)C1 ZINC001287118249 1062354655 /nfs/dbraw/zinc/35/46/55/1062354655.db2.gz MEIKDAQOHVMKCL-NRFANRHFSA-N 1 2 483.661 2.888 20 0 JFADLO CCc1ccc(C(=O)N2CCN(C(=O)[C@H](C)[NH+]3CCN(c4ccc(F)cc4)CC3)CC2)cc1 ZINC001290553183 1062354958 /nfs/dbraw/zinc/35/49/58/1062354958.db2.gz ILGHVWLUGCIXSZ-FQEVSTJZSA-N 1 2 452.574 2.883 20 0 JFADLO CC(C)C(=O)NCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001287133191 1062440683 /nfs/dbraw/zinc/44/06/83/1062440683.db2.gz HEZCDAUDAXWWNA-TZIWHRDSSA-N 1 2 471.650 2.914 20 0 JFADLO CC(C)C(=O)NCCN(C)c1nnc(-c2ccccn2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001287135198 1062456545 /nfs/dbraw/zinc/45/65/45/1062456545.db2.gz WUQJKZVFQQBOKD-HSZRJFAPSA-N 1 2 477.613 2.622 20 0 JFADLO CCCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)CC1 ZINC001294828172 1062514769 /nfs/dbraw/zinc/51/47/69/1062514769.db2.gz KFPSPYRZMSPRKH-QHCPKHFHSA-N 1 2 468.646 2.965 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CC[N@H+]2CCOC[C@H]2C)n1 ZINC001290650162 1062548877 /nfs/dbraw/zinc/54/88/77/1062548877.db2.gz XWCBHVVLBZVAPV-YKSBVNFPSA-N 1 2 459.639 2.502 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@H]2C)n1 ZINC001290650162 1062548897 /nfs/dbraw/zinc/54/88/97/1062548897.db2.gz XWCBHVVLBZVAPV-YKSBVNFPSA-N 1 2 459.639 2.502 20 0 JFADLO CC(C)[C@H](Cn1c(Nc2cnn(C)c2)nnc1C(=O)NCc1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC001287164285 1062573194 /nfs/dbraw/zinc/57/31/94/1062573194.db2.gz INEQLXDMVXOQJX-FQEVSTJZSA-N 1 2 487.008 2.695 20 0 JFADLO CC(C)[C@@H](Cn1c(Nc2cnn(C)c2)nnc1C(=O)NCc1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC001287164287 1062574043 /nfs/dbraw/zinc/57/40/43/1062574043.db2.gz INEQLXDMVXOQJX-HXUWFJFHSA-N 1 2 487.008 2.695 20 0 JFADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC001290667821 1062578931 /nfs/dbraw/zinc/57/89/31/1062578931.db2.gz UHJSAGPRKFKTAV-NHCUHLMSSA-N 1 2 454.575 2.686 20 0 JFADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC001290667821 1062578949 /nfs/dbraw/zinc/57/89/49/1062578949.db2.gz UHJSAGPRKFKTAV-NHCUHLMSSA-N 1 2 454.575 2.686 20 0 JFADLO CC(C)c1nnc(N(C)C[C@H](c2cccs2)N2CCOCC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001287175490 1062599763 /nfs/dbraw/zinc/59/97/63/1062599763.db2.gz YMKVJPNZOHGXHB-WOJBJXKFSA-N 1 2 462.664 2.693 20 0 JFADLO CCCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001294885097 1062599784 /nfs/dbraw/zinc/59/97/84/1062599784.db2.gz ZWYYXTHNPXCPGR-UHFFFAOYSA-N 1 2 499.417 2.659 20 0 JFADLO CC(C)c1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001287180223 1062605537 /nfs/dbraw/zinc/60/55/37/1062605537.db2.gz YGZHVUTWCMQRRP-UHFFFAOYSA-N 1 2 484.626 2.721 20 0 JFADLO CCCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001294890351 1062617432 /nfs/dbraw/zinc/61/74/32/1062617432.db2.gz ZZSDZITVLQDLJL-UHFFFAOYSA-N 1 2 454.966 2.550 20 0 JFADLO CC(C)c1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001287196186 1062628112 /nfs/dbraw/zinc/62/81/12/1062628112.db2.gz IKEXOEONUGPKMD-UHFFFAOYSA-N 1 2 495.550 2.576 20 0 JFADLO CC(C)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001287200176 1062637166 /nfs/dbraw/zinc/63/71/66/1062637166.db2.gz AUTKRJOYMSDTDZ-UHFFFAOYSA-N 1 2 475.663 2.743 20 0 JFADLO CC(C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1cc(C(C)(C)C)no1 ZINC001287215853 1062688302 /nfs/dbraw/zinc/68/83/02/1062688302.db2.gz KERIOSKFCPHRRW-GOSISDBHSA-N 1 2 457.623 2.868 20 0 JFADLO Cc1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001290824020 1062718070 /nfs/dbraw/zinc/71/80/70/1062718070.db2.gz LGSXFXMWPLLJOO-OAQYLSRUSA-N 1 2 475.663 2.518 20 0 JFADLO Cc1nnc(N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001290824275 1062718812 /nfs/dbraw/zinc/71/88/12/1062718812.db2.gz UPGFTMQAUXUWSY-UYAOXDASSA-N 1 2 485.633 2.996 20 0 JFADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)CCCC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001290831978 1062724180 /nfs/dbraw/zinc/72/41/80/1062724180.db2.gz FKAFNONBHGRQMH-UHFFFAOYSA-N 1 2 451.523 2.837 20 0 JFADLO Cc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCOc1cccc(Cl)c1 ZINC001290876290 1062760395 /nfs/dbraw/zinc/76/03/95/1062760395.db2.gz LVLVJCWUGYDSTM-JOCHJYFZSA-N 1 2 463.026 2.550 20 0 JFADLO CC(C)[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001287295687 1062768016 /nfs/dbraw/zinc/76/80/16/1062768016.db2.gz ITRHKLQVTRODJO-SFHVURJKSA-N 1 2 469.615 2.640 20 0 JFADLO CCCS(=O)(=O)NC1CCN(c2nnc([C@@H](C)CC)n2CCc2cn3ccccc3[nH+]2)CC1 ZINC001295014772 1062805150 /nfs/dbraw/zinc/80/51/50/1062805150.db2.gz MQMYXZZOAGNUCV-SFHVURJKSA-N 1 2 473.647 2.980 20 0 JFADLO CC(C)Cc1nnc(N(C)Cc2ncc(Cl)n2C)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001287366511 1062830812 /nfs/dbraw/zinc/83/08/12/1062830812.db2.gz FDQWNMICENVQGU-UHFFFAOYSA-N 1 2 458.998 2.780 20 0 JFADLO CC(C)Cc1nnc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001287395286 1062840428 /nfs/dbraw/zinc/84/04/28/1062840428.db2.gz AKEUOWGYZYGHML-NHCUHLMSSA-N 1 2 460.667 2.672 20 0 JFADLO CC(C)Cc1nnc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001287395286 1062840447 /nfs/dbraw/zinc/84/04/47/1062840447.db2.gz AKEUOWGYZYGHML-NHCUHLMSSA-N 1 2 460.667 2.672 20 0 JFADLO CC(C)Cc1nnc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001287395285 1062840678 /nfs/dbraw/zinc/84/06/78/1062840678.db2.gz AKEUOWGYZYGHML-LEWJYISDSA-N 1 2 460.667 2.672 20 0 JFADLO CC(C)Cc1nnc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001287395285 1062840703 /nfs/dbraw/zinc/84/07/03/1062840703.db2.gz AKEUOWGYZYGHML-LEWJYISDSA-N 1 2 460.667 2.672 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc(CC(C)C)n3CC[C@@H](N3CCOCC3)C(F)(F)F)CC2)on1 ZINC001290970456 1062845425 /nfs/dbraw/zinc/84/54/25/1062845425.db2.gz RXUIHFBURAIMFA-HXUWFJFHSA-N 1 2 499.582 2.748 20 0 JFADLO Cc1cc(CN2CCN(c3nnc(CC(C)(C)C)n3Cc3ccc(N(C)C)[nH+]c3)CC2)on1 ZINC001290970852 1062845974 /nfs/dbraw/zinc/84/59/74/1062845974.db2.gz XGUMXZORKGXKQI-UHFFFAOYSA-N 1 2 452.607 2.995 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3CCNC(=O)c3ccccc3F)CC2)on1 ZINC001290970823 1062846417 /nfs/dbraw/zinc/84/64/17/1062846417.db2.gz VXUHNGMKQLFWPK-UHFFFAOYSA-N 1 2 469.565 2.763 20 0 JFADLO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(Br)c2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001290976250 1062856327 /nfs/dbraw/zinc/85/63/27/1062856327.db2.gz OUUQYYQQNIAMGY-OAHLLOKOSA-N 1 2 484.402 2.884 20 0 JFADLO C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2ccccn2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001290980737 1062865585 /nfs/dbraw/zinc/86/55/85/1062865585.db2.gz OAQVZSHKUBLOJN-UZLBHIALSA-N 1 2 469.540 2.512 20 0 JFADLO CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001287442373 1062876482 /nfs/dbraw/zinc/87/64/82/1062876482.db2.gz HXRKDNBQHQCLHL-VQTJNVASSA-N 1 2 464.655 2.938 20 0 JFADLO CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001287442373 1062876505 /nfs/dbraw/zinc/87/65/05/1062876505.db2.gz HXRKDNBQHQCLHL-VQTJNVASSA-N 1 2 464.655 2.938 20 0 JFADLO C[C@@H]1C[C@H](C)CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001291007341 1062903986 /nfs/dbraw/zinc/90/39/86/1062903986.db2.gz YASFGCFZVYNESI-MHTWAQMVSA-N 1 2 492.665 2.790 20 0 JFADLO C[C@@H]1C[C@H](C)CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001291007341 1062904012 /nfs/dbraw/zinc/90/40/12/1062904012.db2.gz YASFGCFZVYNESI-MHTWAQMVSA-N 1 2 492.665 2.790 20 0 JFADLO CC(C)Cc1nnc(N2CCN([C@H](C)c3nc(C(C)C)no3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001287468685 1062915398 /nfs/dbraw/zinc/91/53/98/1062915398.db2.gz HQWRPYBTRAYAMF-VQTJNVASSA-N 1 2 474.654 2.587 20 0 JFADLO CC(C)Cc1nnc(N2CCN([C@H](C)c3nc(C(C)C)no3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001287468685 1062915414 /nfs/dbraw/zinc/91/54/14/1062915414.db2.gz HQWRPYBTRAYAMF-VQTJNVASSA-N 1 2 474.654 2.587 20 0 JFADLO CC(C)Cc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCC(=O)Nc1ccccc1 ZINC001287482429 1062939130 /nfs/dbraw/zinc/93/91/30/1062939130.db2.gz TZCOGYNJZZQTEI-XMMPIXPASA-N 1 2 497.688 2.737 20 0 JFADLO C[C@H]1C[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC[NH+]2CCOCC2)CCO1 ZINC001291022794 1062942593 /nfs/dbraw/zinc/94/25/93/1062942593.db2.gz LOYWGZCGLVJSJA-HOTGVXAUSA-N 1 2 467.412 2.619 20 0 JFADLO CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1)C(C)C ZINC001295144374 1062961813 /nfs/dbraw/zinc/96/18/13/1062961813.db2.gz HSWWTLUKFIFXFH-GOSISDBHSA-N 1 2 463.652 2.803 20 0 JFADLO CC(C)CC[C@](C)(O)Cn1c(-c2ccccc2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001287534083 1062969710 /nfs/dbraw/zinc/96/97/10/1062969710.db2.gz XFAUHHQBFBOJDF-IBVKSMDESA-N 1 2 468.646 2.921 20 0 JFADLO CC(C)CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001287589967 1062997702 /nfs/dbraw/zinc/99/77/02/1062997702.db2.gz YFDICFCCSMSIGX-QFIPXVFZSA-N 1 2 454.619 2.956 20 0 JFADLO CCN(c1nnc(-c2cccn2C)n1C[C@@H](c1ccsc1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295185441 1063008553 /nfs/dbraw/zinc/00/85/53/1063008553.db2.gz UJGMEIUHRGFDLV-HKUYNNGSSA-N 1 2 462.645 2.661 20 0 JFADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCC[C@@H](C)C2)n1CCc1cn2ccccc2[nH+]1 ZINC001291069735 1063018628 /nfs/dbraw/zinc/01/86/28/1063018628.db2.gz FEBBECUPCPSFNK-LMMKCTJWSA-N 1 2 459.620 2.794 20 0 JFADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1CCc1cn2ccccc2[nH+]1 ZINC001291069737 1063018986 /nfs/dbraw/zinc/01/89/86/1063018986.db2.gz FEBBECUPCPSFNK-ZIFCJYIRSA-N 1 2 459.620 2.794 20 0 JFADLO CC(C)CN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1)C(C)C ZINC001287706077 1063043402 /nfs/dbraw/zinc/04/34/02/1063043402.db2.gz GGIXNXJCCKDSFS-FPOVZHCZSA-N 1 2 490.674 2.719 20 0 JFADLO CC(C)NC(=O)c1nnc(N2CCCC[C@@H](C)C2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001291090631 1063050060 /nfs/dbraw/zinc/05/00/60/1063050060.db2.gz ZBMTUEKBFLCQRC-HXUWFJFHSA-N 1 2 454.619 2.923 20 0 JFADLO CC(C)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(N(C)C)[nH+]c2)CC1=O ZINC001287751388 1063078365 /nfs/dbraw/zinc/07/83/65/1063078365.db2.gz GOJOGRNEYAXGLA-UHFFFAOYSA-N 1 2 468.993 2.807 20 0 JFADLO CC(C)CN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1=O ZINC001287768809 1063094962 /nfs/dbraw/zinc/09/49/62/1063094962.db2.gz KQDSJAOBXJZWPO-FXAWDEMLSA-N 1 2 476.572 2.668 20 0 JFADLO CC(C)C[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)C(F)(F)F)CC1 ZINC001287770613 1063098258 /nfs/dbraw/zinc/09/82/58/1063098258.db2.gz RBUIKACOCQWJQT-HNNXBMFYSA-N 1 2 451.559 2.547 20 0 JFADLO CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCS(=O)(=O)c2ccccc2)CC1 ZINC001287771091 1063098703 /nfs/dbraw/zinc/09/87/03/1063098703.db2.gz SZBFHSQCIWWICG-NRFANRHFSA-N 1 2 461.632 2.772 20 0 JFADLO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C)CC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001291109248 1063103448 /nfs/dbraw/zinc/10/34/48/1063103448.db2.gz IXGVVOLFRAKRHU-MOPGFXCFSA-N 1 2 455.607 2.711 20 0 JFADLO CC(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C)CC1)[NH+]1CCOCC1 ZINC001291109636 1063105333 /nfs/dbraw/zinc/10/53/33/1063105333.db2.gz PEOSZKVQQXGUQG-PMACEKPBSA-N 1 2 455.607 2.909 20 0 JFADLO CCN(CC)C(=O)CCCn1c([C@@H]2CCCOC2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001295324197 1063208681 /nfs/dbraw/zinc/20/86/81/1063208681.db2.gz HTZWOHOAYPRWLQ-HXUWFJFHSA-N 1 2 469.634 2.844 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(C)CC2)CC1 ZINC001295335382 1063251392 /nfs/dbraw/zinc/25/13/92/1063251392.db2.gz VUZIHSPISVJWEP-UHFFFAOYSA-N 1 2 492.466 2.837 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCC=CO2)CC1 ZINC001295335982 1063255024 /nfs/dbraw/zinc/25/50/24/1063255024.db2.gz KJNSALXEPZTSBG-FQEVSTJZSA-N 1 2 468.602 2.637 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCC=CO2)CC1 ZINC001295336130 1063255627 /nfs/dbraw/zinc/25/56/27/1063255627.db2.gz MELNARZCDHDJRG-IBGZPJMESA-N 1 2 456.566 2.767 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3C)n2CCCN2CCCCC2=O)CC1 ZINC001295336192 1063256659 /nfs/dbraw/zinc/25/66/59/1063256659.db2.gz NXWVNSFILNBNKV-UHFFFAOYSA-N 1 2 495.672 2.647 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CC(=O)Nc2c(C)cccc2C)CC1 ZINC001295336624 1063258573 /nfs/dbraw/zinc/25/85/73/1063258573.db2.gz STRSYAYIHZFBRD-UHFFFAOYSA-N 1 2 492.628 2.519 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccnc3)n2C[C@H](C)Oc2cccc(F)c2)CC1 ZINC001295336635 1063258651 /nfs/dbraw/zinc/25/86/51/1063258651.db2.gz UAKHMUSXPMBPCI-FQEVSTJZSA-N 1 2 495.603 2.937 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2OCCC2(C)C)CC1 ZINC001295336810 1063260415 /nfs/dbraw/zinc/26/04/15/1063260415.db2.gz WPOBQZCFBXVAKK-LJQANCHMSA-N 1 2 490.052 2.799 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CC2(OC)CCCC2)CC1 ZINC001295337148 1063262283 /nfs/dbraw/zinc/26/22/83/1063262283.db2.gz CUHUJPADEPOIBA-UHFFFAOYSA-N 1 2 469.634 2.598 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@](C)(O)CC)CC1 ZINC001295337321 1063262706 /nfs/dbraw/zinc/26/27/06/1063262706.db2.gz FBWXOVZBRUAHIB-AREMUKBSSA-N 1 2 481.645 2.588 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCC(C)(C)O)CC1 ZINC001295337774 1063263903 /nfs/dbraw/zinc/26/39/03/1063263903.db2.gz HVWUBJZAFRIVCT-UHFFFAOYSA-N 1 2 481.645 2.588 20 0 JFADLO C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001291194678 1063328399 /nfs/dbraw/zinc/32/83/99/1063328399.db2.gz BRKWORNWUJWIMG-IAGOWNOFSA-N 1 2 484.004 2.967 20 0 JFADLO C[C@H]1CN(c2ccc(Cn3c(Cc4ccsc4)nnc3N(C)CC(=O)NC(C)(C)C)c[nH+]2)CCO1 ZINC001291194893 1063330799 /nfs/dbraw/zinc/33/07/99/1063330799.db2.gz GWFFKNLNHASPJX-SFHVURJKSA-N 1 2 497.669 2.950 20 0 JFADLO C[C@H]1CN(c2ccc(Cn3c(N4CCCC[C@H](S(C)(=O)=O)C4)nnc3C(C)(C)C)c[nH+]2)CCO1 ZINC001291195622 1063334838 /nfs/dbraw/zinc/33/48/38/1063334838.db2.gz VOSFOWYTQCNSDB-ICSRJNTNSA-N 1 2 490.674 2.648 20 0 JFADLO CCN(CC)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H]([C@@H]3CCOC3)C2)c[nH+]1 ZINC001295411167 1063406539 /nfs/dbraw/zinc/40/65/39/1063406539.db2.gz RCEDCJUDGOPJLE-WOJBJXKFSA-N 1 2 455.607 2.569 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCS[C@@H](C(C)C)C2)c[nH+]1 ZINC001295411594 1063408883 /nfs/dbraw/zinc/40/88/83/1063408883.db2.gz VJFJMDHOIRWMRE-PKOBYXMFSA-N 1 2 495.719 2.756 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3ccc(OC)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)c[nH+]1 ZINC001295413498 1063412524 /nfs/dbraw/zinc/41/25/24/1063412524.db2.gz PMNSVBAFQZZGAD-VWLOTQADSA-N 1 2 463.586 2.945 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@](C)(C(N)=O)C2)c[nH+]1 ZINC001295413871 1063414562 /nfs/dbraw/zinc/41/45/62/1063414562.db2.gz UHLJSAVQTTZNEW-HSZRJFAPSA-N 1 2 468.993 2.985 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(C(C)=O)CC2)c[nH+]1 ZINC001295413806 1063414711 /nfs/dbraw/zinc/41/47/11/1063414711.db2.gz SEVQRARGRAHFDV-UHFFFAOYSA-N 1 2 468.993 2.952 20 0 JFADLO CCN(CC)c1ccc(Cn2c(COc3ccc(OC)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)c[nH+]1 ZINC001295417971 1063422619 /nfs/dbraw/zinc/42/26/19/1063422619.db2.gz BBGLVIBJLYWLKM-IBGZPJMESA-N 1 2 493.612 2.822 20 0 JFADLO CCN(CC)c1ccc(Cn2c(Cc3ccsc3)nnc2N2CC(=O)N(C)[C@H](C)C2)c[nH+]1 ZINC001295418040 1063423822 /nfs/dbraw/zinc/42/38/22/1063423822.db2.gz DAMXAEJUVCBGCV-QGZVFWFLSA-N 1 2 453.616 2.887 20 0 JFADLO CCN(CC)c1ccc(Cn2c(N3CCN(c4ncccc4C(N)=O)CC3)nnc2C(C)(C)C)c[nH+]1 ZINC001295418306 1063424871 /nfs/dbraw/zinc/42/48/71/1063424871.db2.gz FQHTXRUEOVWYSD-UHFFFAOYSA-N 1 2 491.644 2.686 20 0 JFADLO CCN(CC)c1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC(C)(OC)C2)c[nH+]1 ZINC001295418980 1063427130 /nfs/dbraw/zinc/42/71/30/1063427130.db2.gz LIBNPFIPJGTODV-UHFFFAOYSA-N 1 2 469.615 2.784 20 0 JFADLO C[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCNc2cccc[nH+]2)CCCO1 ZINC001291215682 1063428403 /nfs/dbraw/zinc/42/84/03/1063428403.db2.gz UGXYCEWWXWDUSL-SFHVURJKSA-N 1 2 470.599 2.861 20 0 JFADLO CCN(CC)c1ccc(Cn2c(Cc3ccccc3F)nnc2N2CCS(=O)CC2)c[nH+]1 ZINC001295419336 1063428431 /nfs/dbraw/zinc/42/84/31/1063428431.db2.gz IKSDVKIQEHDUFE-UHFFFAOYSA-N 1 2 456.591 2.866 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCOC(C)(C)C)c[nH+]1 ZINC001295419875 1063430541 /nfs/dbraw/zinc/43/05/41/1063430541.db2.gz KJSGTBSNIDJGRK-IBGZPJMESA-N 1 2 478.663 2.721 20 0 JFADLO CCN(CC)c1ccc(Cn2c(N3CC[C@H](C(=O)OC)C3)nnc2[C@@]2(OC(C)C)CCOC2)c[nH+]1 ZINC001295420077 1063431680 /nfs/dbraw/zinc/43/16/80/1063431680.db2.gz WGPUEGOUWZNVHS-NBGIEHNGSA-N 1 2 486.617 2.608 20 0 JFADLO CCN(CC)c1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC(NC(C)=O)CC2)c[nH+]1 ZINC001295420507 1063433853 /nfs/dbraw/zinc/43/38/53/1063433853.db2.gz QZXTWVJBQWMXOP-UHFFFAOYSA-N 1 2 462.602 2.658 20 0 JFADLO CCN(CC)c1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC[C@H](C(=O)OC)C2)c[nH+]1 ZINC001295420601 1063435036 /nfs/dbraw/zinc/43/50/36/1063435036.db2.gz UDPRTEDIRIETOR-NRFANRHFSA-N 1 2 463.586 2.943 20 0 JFADLO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCCNc2cccc[nH+]2)C[C@@H](C(F)(F)F)O1 ZINC001291235143 1063499415 /nfs/dbraw/zinc/49/94/15/1063499415.db2.gz JFDRRJKUPLYWAU-ZBFHGGJFSA-N 1 2 450.469 2.732 20 0 JFADLO C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@@H](C)O1 ZINC001291277412 1063590711 /nfs/dbraw/zinc/59/07/11/1063590711.db2.gz CIVXVHPTGONKNN-RCCFBDPRSA-N 1 2 494.434 2.954 20 0 JFADLO C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@@H](C)O1 ZINC001291277412 1063590723 /nfs/dbraw/zinc/59/07/23/1063590723.db2.gz CIVXVHPTGONKNN-RCCFBDPRSA-N 1 2 494.434 2.954 20 0 JFADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(C)(F)F ZINC001291287689 1063641319 /nfs/dbraw/zinc/64/13/19/1063641319.db2.gz GKXOTKMUNNGLML-IEBWSBKVSA-N 1 2 467.586 2.936 20 0 JFADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(C)(F)F ZINC001291287689 1063641329 /nfs/dbraw/zinc/64/13/29/1063641329.db2.gz GKXOTKMUNNGLML-IEBWSBKVSA-N 1 2 467.586 2.936 20 0 JFADLO CCN(Cc1ccc(OC)cc1OC)c1nnc([C@H]2CCCO2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001295606903 1063654110 /nfs/dbraw/zinc/65/41/10/1063654110.db2.gz DKHPYMWIEOTBJZ-GHTZIAJQSA-N 1 2 459.591 2.894 20 0 JFADLO C[C@H]1C[NH+](CCCn2c(-c3ccccc3F)nnc2N(CCS(C)(=O)=O)C2CC2)C[C@H](C)O1 ZINC001291289380 1063655634 /nfs/dbraw/zinc/65/56/34/1063655634.db2.gz IUXCOPHKAVERSY-ROUUACIJSA-N 1 2 479.622 2.597 20 0 JFADLO C[C@@H]1C[N@@H+](CCCn2c(-c3ccccc3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C[C@H](C)O1 ZINC001291289885 1063660541 /nfs/dbraw/zinc/66/05/41/1063660541.db2.gz RHYZUYNMEKOEIU-RZUBCFFCSA-N 1 2 475.659 2.848 20 0 JFADLO C[C@@H]1C[N@H+](CCCn2c(-c3ccccc3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C[C@H](C)O1 ZINC001291289885 1063660551 /nfs/dbraw/zinc/66/05/51/1063660551.db2.gz RHYZUYNMEKOEIU-RZUBCFFCSA-N 1 2 475.659 2.848 20 0 JFADLO CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cn2ccccc2[nH+]1 ZINC001295625129 1063670654 /nfs/dbraw/zinc/67/06/54/1063670654.db2.gz IVFGMXUQRFCEOP-KRWDZBQOSA-N 1 2 485.589 2.944 20 0 JFADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291293221 1063683757 /nfs/dbraw/zinc/68/37/57/1063683757.db2.gz QXYZGZLSKPOOIB-FCGDIQPGSA-N 1 2 483.704 2.688 20 0 JFADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291293221 1063683759 /nfs/dbraw/zinc/68/37/59/1063683759.db2.gz QXYZGZLSKPOOIB-FCGDIQPGSA-N 1 2 483.704 2.688 20 0 JFADLO CCN(CC1CC1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001295679949 1063717352 /nfs/dbraw/zinc/71/73/52/1063717352.db2.gz LOCSASDYGMAWDA-KRWDZBQOSA-N 1 2 461.636 2.558 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001291308590 1063731075 /nfs/dbraw/zinc/73/10/75/1063731075.db2.gz PSNKHHIVZDUGTO-UNMCSNQZSA-N 1 2 499.660 2.726 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001291308590 1063731093 /nfs/dbraw/zinc/73/10/93/1063731093.db2.gz PSNKHHIVZDUGTO-UNMCSNQZSA-N 1 2 499.660 2.726 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1Br ZINC001291309265 1063734208 /nfs/dbraw/zinc/73/42/08/1063734208.db2.gz CJJDYVFQJCXLMT-KRWDZBQOSA-N 1 2 491.434 2.520 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1Br ZINC001291309265 1063734216 /nfs/dbraw/zinc/73/42/16/1063734216.db2.gz CJJDYVFQJCXLMT-KRWDZBQOSA-N 1 2 491.434 2.520 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(CC2CC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001291309698 1063735758 /nfs/dbraw/zinc/73/57/58/1063735758.db2.gz LQMCUQKRTXFJIG-ICSRJNTNSA-N 1 2 462.639 2.645 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(CC2CC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001291309698 1063735764 /nfs/dbraw/zinc/73/57/64/1063735764.db2.gz LQMCUQKRTXFJIG-ICSRJNTNSA-N 1 2 462.639 2.645 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CCO)Cc1ccccc1 ZINC001291310098 1063737945 /nfs/dbraw/zinc/73/79/45/1063737945.db2.gz TUKHMPULEXODAK-YMPZKCBVSA-N 1 2 471.646 2.916 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CCO)Cc1ccccc1 ZINC001291310098 1063737959 /nfs/dbraw/zinc/73/79/59/1063737959.db2.gz TUKHMPULEXODAK-YMPZKCBVSA-N 1 2 471.646 2.916 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001291310108 1063738034 /nfs/dbraw/zinc/73/80/34/1063738034.db2.gz TZVZFSLRIYKJLQ-UXHICEINSA-N 1 2 484.645 2.577 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001291310108 1063738038 /nfs/dbraw/zinc/73/80/38/1063738038.db2.gz TZVZFSLRIYKJLQ-UXHICEINSA-N 1 2 484.645 2.577 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H]1C ZINC001295749553 1063756401 /nfs/dbraw/zinc/75/64/01/1063756401.db2.gz RUJMAEHNCGTOOI-HBFSDRIKSA-N 1 2 475.663 2.682 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc([C@H]2CCC(=O)N2)n1CC(F)(F)F ZINC001295751190 1063758449 /nfs/dbraw/zinc/75/84/49/1063758449.db2.gz YMPFMTYSWWYNJM-MRXNPFEDSA-N 1 2 451.497 2.929 20 0 JFADLO CCN(CCc1ccccc1)c1nnc(Cc2csc(C)n2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001295776412 1063785513 /nfs/dbraw/zinc/78/55/13/1063785513.db2.gz KPWFGUBGXGSHLF-UHFFFAOYSA-N 1 2 481.670 2.867 20 0 JFADLO CCC(=O)N[C@H]1CCCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccccc2-n2cc[nH+]c2)C1 ZINC001291335385 1063796257 /nfs/dbraw/zinc/79/62/57/1063796257.db2.gz PIYRTNRPDRVSCV-NRFANRHFSA-N 1 2 492.628 2.926 20 0 JFADLO CC[N@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)CCC(F)(F)F ZINC001295831163 1063845351 /nfs/dbraw/zinc/84/53/51/1063845351.db2.gz UUOOWNCESHBURF-OAHLLOKOSA-N 1 2 494.971 2.891 20 0 JFADLO CC[N@@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)CCC(F)(F)F ZINC001295831163 1063845366 /nfs/dbraw/zinc/84/53/66/1063845366.db2.gz UUOOWNCESHBURF-OAHLLOKOSA-N 1 2 494.971 2.891 20 0 JFADLO CC[C@](C)(O)Cn1c(-c2ccccc2F)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001291366442 1063889981 /nfs/dbraw/zinc/88/99/81/1063889981.db2.gz APALGKGVBFCOHT-DFBJGRDBSA-N 1 2 472.609 2.768 20 0 JFADLO CCN(CCS(C)(=O)=O)c1nnc(-c2cc(-c3ccccc3)on2)n1CC[N@H+]1CC=CCC1 ZINC001295880357 1063924330 /nfs/dbraw/zinc/92/43/30/1063924330.db2.gz AXVLUISOZUVBAD-UHFFFAOYSA-N 1 2 470.599 2.733 20 0 JFADLO CCN(CCS(C)(=O)=O)c1nnc(-c2cc(-c3ccccc3)on2)n1CC[N@@H+]1CC=CCC1 ZINC001295880357 1063924342 /nfs/dbraw/zinc/92/43/42/1063924342.db2.gz AXVLUISOZUVBAD-UHFFFAOYSA-N 1 2 470.599 2.733 20 0 JFADLO CCN(CCS(C)(=O)=O)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001295884678 1063930602 /nfs/dbraw/zinc/93/06/02/1063930602.db2.gz CYFNFDTWTYHSHY-IBGZPJMESA-N 1 2 474.606 2.961 20 0 JFADLO CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccnc2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001291391824 1063942798 /nfs/dbraw/zinc/94/27/98/1063942798.db2.gz OWUQEIAPKDCMKZ-WOVHNISZSA-N 1 2 483.661 2.660 20 0 JFADLO CC[C@H](C)[C@@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001291397456 1063954095 /nfs/dbraw/zinc/95/40/95/1063954095.db2.gz KPYGRCXARNBYRE-MCEYFSPLSA-N 1 2 478.726 2.895 20 0 JFADLO CC[C@H](C)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1)OC ZINC001291410114 1063985372 /nfs/dbraw/zinc/98/53/72/1063985372.db2.gz SVTTXVGZMOIKRL-REWPJTCUSA-N 1 2 484.645 2.759 20 0 JFADLO CC[C@H](C)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1)OC ZINC001291422337 1064003283 /nfs/dbraw/zinc/00/32/83/1064003283.db2.gz XAADPUOCTHKCNU-PGRDOPGGSA-N 1 2 453.591 2.944 20 0 JFADLO CC[C@H](C)[C@H](Cn1c(Cc2cccnc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1)OC ZINC001291422335 1064003312 /nfs/dbraw/zinc/00/33/12/1064003312.db2.gz XAADPUOCTHKCNU-AVRDEDQJSA-N 1 2 453.591 2.944 20 0 JFADLO CC[C@@H](C)[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cccc[nH+]2)CC1)OC ZINC001291427267 1064010242 /nfs/dbraw/zinc/01/02/42/1064010242.db2.gz IKKNPGAQDLLIPU-AQCRLBJHSA-N 1 2 458.607 2.785 20 0 JFADLO CC[C@H](C)c1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001291456883 1064022982 /nfs/dbraw/zinc/02/29/82/1064022982.db2.gz ZNSYQWGETWTWAJ-VXKWHMMOSA-N 1 2 488.702 2.875 20 0 JFADLO CC[C@H](C)c1nnc(N(C)CC[NH+]2CCOCC2)n1CCCn1cc(Br)cn1 ZINC001291457315 1064023832 /nfs/dbraw/zinc/02/38/32/1064023832.db2.gz JEZHAQGTTDONQI-INIZCTEOSA-N 1 2 454.417 2.609 20 0 JFADLO CC[C@H](C)c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC001291457526 1064023886 /nfs/dbraw/zinc/02/38/86/1064023886.db2.gz NPJQUUHYVYTOFM-UGKGYDQZSA-N 1 2 470.618 2.726 20 0 JFADLO CC[C@H](C)c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1ccnc(OC2CCOCC2)c1 ZINC001291457999 1064024980 /nfs/dbraw/zinc/02/49/80/1064024980.db2.gz XOSPMBCYSUYMRB-IBGZPJMESA-N 1 2 458.607 2.561 20 0 JFADLO CC[C@@H](C)c1nnc(N(Cc2ccco2)C[C@H]2CCCO2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291465343 1064027489 /nfs/dbraw/zinc/02/74/89/1064027489.db2.gz KFJPYSGVWDPYRZ-DENIHFKCSA-N 1 2 458.607 2.734 20 0 JFADLO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCc2nnc(C)[nH]2)C[C@@H]1C ZINC001295980064 1064028694 /nfs/dbraw/zinc/02/86/94/1064028694.db2.gz NWPXVNVOAOHETO-UONOGXRCSA-N 1 2 476.427 2.634 20 0 JFADLO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCc2nnc(C)[nH]2)C[C@@H]1C ZINC001295980064 1064028700 /nfs/dbraw/zinc/02/87/00/1064028700.db2.gz NWPXVNVOAOHETO-UONOGXRCSA-N 1 2 476.427 2.634 20 0 JFADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C(C)(C)[C@@H](O)c1ccc(OCc2ccccc2)cc1 ZINC001295984236 1064041118 /nfs/dbraw/zinc/04/11/18/1064041118.db2.gz FJBGSSFRFKVMSQ-VXKWHMMOSA-N 1 2 451.523 2.949 20 0 JFADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C(C)(C)[C@@H](O)c1ccc(OCc2ccccc2)cc1 ZINC001295984236 1064041123 /nfs/dbraw/zinc/04/11/23/1064041123.db2.gz FJBGSSFRFKVMSQ-VXKWHMMOSA-N 1 2 451.523 2.949 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCS(=O)(=O)CC)C[C@H]1C ZINC001295999495 1064056109 /nfs/dbraw/zinc/05/61/09/1064056109.db2.gz BFABCIVJHYTLSM-CVEARBPZSA-N 1 2 455.575 2.501 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCS(=O)(=O)CC)C[C@H]1C ZINC001295999495 1064056114 /nfs/dbraw/zinc/05/61/14/1064056114.db2.gz BFABCIVJHYTLSM-CVEARBPZSA-N 1 2 455.575 2.501 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCC(OCC(N)=O)CC2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001291518638 1064071143 /nfs/dbraw/zinc/07/11/43/1064071143.db2.gz OSPMKNJDYKOIQF-LJQANCHMSA-N 1 2 469.634 2.942 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3ccc4ccccc43)n2CCCS(C)(=O)=O)C[C@H]1C ZINC001296012550 1064073265 /nfs/dbraw/zinc/07/32/65/1064073265.db2.gz YWZMSCRXEAFCHJ-MOPGFXCFSA-N 1 2 458.632 2.635 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc(Cn3ccc4ccccc43)n2CCCS(C)(=O)=O)C[C@H]1C ZINC001296012550 1064073272 /nfs/dbraw/zinc/07/32/72/1064073272.db2.gz YWZMSCRXEAFCHJ-MOPGFXCFSA-N 1 2 458.632 2.635 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC[C@H](NC(C)=O)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001291541974 1064084983 /nfs/dbraw/zinc/08/49/83/1064084983.db2.gz LLCVATNFJNGERQ-UEXGIBASSA-N 1 2 455.607 2.565 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC[C@H](OCCOC)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001291544694 1064088749 /nfs/dbraw/zinc/08/87/49/1064088749.db2.gz SUFACJSFZCLVBC-FPOVZHCZSA-N 1 2 458.607 2.703 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1CC[S@@](=O)C(C)(C)C ZINC001291568991 1064096298 /nfs/dbraw/zinc/09/62/98/1064096298.db2.gz OMHUNYYSDQZXLL-PSTIOWGYSA-N 1 2 468.712 2.719 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1CC[S@@](=O)C(C)(C)C ZINC001291568991 1064096304 /nfs/dbraw/zinc/09/63/04/1064096304.db2.gz OMHUNYYSDQZXLL-PSTIOWGYSA-N 1 2 468.712 2.719 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1Cc1c[nH+]ccc1OC ZINC001291580489 1064108379 /nfs/dbraw/zinc/10/83/79/1064108379.db2.gz NOUVFCCOONZZLU-QGZVFWFLSA-N 1 2 450.543 2.912 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(C(=O)OC)[C@@H](C)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001291592997 1064127352 /nfs/dbraw/zinc/12/73/52/1064127352.db2.gz OFZJVFJUMVIDIW-JAXLGGSGSA-N 1 2 470.618 2.970 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(C(=O)OC)[C@@H](C)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001291592997 1064127358 /nfs/dbraw/zinc/12/73/58/1064127358.db2.gz OFZJVFJUMVIDIW-JAXLGGSGSA-N 1 2 470.618 2.970 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001291593031 1064127832 /nfs/dbraw/zinc/12/78/32/1064127832.db2.gz OQYXLVCPJUMNGM-CVDCTZTESA-N 1 2 476.629 2.650 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001291596090 1064131225 /nfs/dbraw/zinc/13/12/25/1064131225.db2.gz NUXNBELARNXCHU-JTAQYXEDSA-N 1 2 454.619 2.750 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001291596090 1064131232 /nfs/dbraw/zinc/13/12/32/1064131232.db2.gz NUXNBELARNXCHU-JTAQYXEDSA-N 1 2 454.619 2.750 20 0 JFADLO CC[C@H](C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001291599265 1064134405 /nfs/dbraw/zinc/13/44/05/1064134405.db2.gz YGFPEPWJPCABIR-CUVVAGTFSA-N 1 2 486.636 2.971 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCN(c3cc(C)ccc3C)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291601248 1064136592 /nfs/dbraw/zinc/13/65/92/1064136592.db2.gz DQLGQJLDOSSMHF-OAQYLSRUSA-N 1 2 467.662 2.899 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(Cc3ccc(OC)c(F)c3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001291630513 1064176393 /nfs/dbraw/zinc/17/63/93/1064176393.db2.gz UGDHCVHBIHMYRX-PMACEKPBSA-N 1 2 474.625 2.982 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(Cc3ccc(OC)c(F)c3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001291630513 1064176399 /nfs/dbraw/zinc/17/63/99/1064176399.db2.gz UGDHCVHBIHMYRX-PMACEKPBSA-N 1 2 474.625 2.982 20 0 JFADLO CCN1CCCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(N3CCCCCC3)[nH+]c2)CC1=O ZINC001296102217 1064177538 /nfs/dbraw/zinc/17/75/38/1064177538.db2.gz YDZNGIWHKZFHRU-NRFANRHFSA-N 1 2 499.660 2.884 20 0 JFADLO CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@@H]1CCC[C@@H](O)C1 ZINC001291640393 1064189433 /nfs/dbraw/zinc/18/94/33/1064189433.db2.gz RQAIQXONCQUIHG-WBADGQHESA-N 1 2 462.683 2.574 20 0 JFADLO CC[C@H](C)c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001291673996 1064215323 /nfs/dbraw/zinc/21/53/23/1064215323.db2.gz YOOUULJAMGVHRO-TUACAJSNSA-N 1 2 484.645 2.515 20 0 JFADLO CC[C@@H](C)CN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001291714213 1064224593 /nfs/dbraw/zinc/22/45/93/1064224593.db2.gz PEVWQIJODQEYIR-MOPGFXCFSA-N 1 2 467.618 2.878 20 0 JFADLO CC[C@@H](C)CN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CC[N@H+]1CCOC[C@@H]1C ZINC001291714213 1064224603 /nfs/dbraw/zinc/22/46/03/1064224603.db2.gz PEVWQIJODQEYIR-MOPGFXCFSA-N 1 2 467.618 2.878 20 0 JFADLO CC[C@@H](C)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001291715732 1064225299 /nfs/dbraw/zinc/22/52/99/1064225299.db2.gz ARJBGGLRASJNPJ-YADHBBJMSA-N 1 2 488.702 2.875 20 0 JFADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC001296132249 1064229469 /nfs/dbraw/zinc/22/94/69/1064229469.db2.gz ABJUMGUQSPGXAW-PQNGQFLHSA-N 1 2 486.661 2.753 20 0 JFADLO CC[C@H](C)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291733461 1064231071 /nfs/dbraw/zinc/23/10/71/1064231071.db2.gz XPDQJBONZYVWGN-FPOVZHCZSA-N 1 2 491.681 2.997 20 0 JFADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)C[C@@H]2CCOC2)CC1 ZINC001296133882 1064234992 /nfs/dbraw/zinc/23/49/92/1064234992.db2.gz LFUIVPHROTZRNH-PKTZIBPZSA-N 1 2 470.662 2.973 20 0 JFADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001296134783 1064236556 /nfs/dbraw/zinc/23/65/56/1064236556.db2.gz QIUPWIZVEXXFRY-FGZHOGPDSA-N 1 2 456.635 2.807 20 0 JFADLO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1C ZINC001296142480 1064249925 /nfs/dbraw/zinc/24/99/25/1064249925.db2.gz LXPKQGOBXMRTLG-FHWLQOOXSA-N 1 2 479.622 2.912 20 0 JFADLO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1C ZINC001296142480 1064249933 /nfs/dbraw/zinc/24/99/33/1064249933.db2.gz LXPKQGOBXMRTLG-FHWLQOOXSA-N 1 2 479.622 2.912 20 0 JFADLO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1C ZINC001296142481 1064250121 /nfs/dbraw/zinc/25/01/21/1064250121.db2.gz LXPKQGOBXMRTLG-GBESFXJTSA-N 1 2 479.622 2.912 20 0 JFADLO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1C ZINC001296142481 1064250127 /nfs/dbraw/zinc/25/01/27/1064250127.db2.gz LXPKQGOBXMRTLG-GBESFXJTSA-N 1 2 479.622 2.912 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1C ZINC001296160450 1064274340 /nfs/dbraw/zinc/27/43/40/1064274340.db2.gz GFPFQULLCMLWCU-PKOBYXMFSA-N 1 2 466.051 2.878 20 0 JFADLO CC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1C ZINC001296160450 1064274349 /nfs/dbraw/zinc/27/43/49/1064274349.db2.gz GFPFQULLCMLWCU-PKOBYXMFSA-N 1 2 466.051 2.878 20 0 JFADLO CC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)c2cccc(OC)c2)C[C@H]1C ZINC001296162199 1064275597 /nfs/dbraw/zinc/27/55/97/1064275597.db2.gz TZBNMLHLTYUFDO-MOPGFXCFSA-N 1 2 475.659 2.697 20 0 JFADLO CC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)c2cccc(OC)c2)C[C@H]1C ZINC001296162199 1064275607 /nfs/dbraw/zinc/27/56/07/1064275607.db2.gz TZBNMLHLTYUFDO-MOPGFXCFSA-N 1 2 475.659 2.697 20 0 JFADLO CC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccccc2C(C)C)C[C@H]1C ZINC001296163706 1064279059 /nfs/dbraw/zinc/27/90/59/1064279059.db2.gz YEVSMHNOYJFDQR-UXHICEINSA-N 1 2 475.659 2.913 20 0 JFADLO CC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccccc2C(C)C)C[C@H]1C ZINC001296163706 1064279071 /nfs/dbraw/zinc/27/90/71/1064279071.db2.gz YEVSMHNOYJFDQR-UXHICEINSA-N 1 2 475.659 2.913 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001296163838 1064280109 /nfs/dbraw/zinc/28/01/09/1064280109.db2.gz YFPQDVVNWHFQHP-IAGOWNOFSA-N 1 2 467.586 2.502 20 0 JFADLO CC[N@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001296163838 1064280119 /nfs/dbraw/zinc/28/01/19/1064280119.db2.gz YFPQDVVNWHFQHP-IAGOWNOFSA-N 1 2 467.586 2.502 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001296163840 1064280137 /nfs/dbraw/zinc/28/01/37/1064280137.db2.gz YFPQDVVNWHFQHP-SJORKVTESA-N 1 2 467.586 2.502 20 0 JFADLO CC[N@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001296163840 1064280143 /nfs/dbraw/zinc/28/01/43/1064280143.db2.gz YFPQDVVNWHFQHP-SJORKVTESA-N 1 2 467.586 2.502 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCS(=O)(=O)c2ccccc2)C[C@H]1C ZINC001296164798 1064283084 /nfs/dbraw/zinc/28/30/84/1064283084.db2.gz CVVSCZTVCLKJAZ-OAQYLSRUSA-N 1 2 485.658 2.534 20 0 JFADLO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCS(=O)(=O)c2ccccc2)C[C@H]1C ZINC001296164798 1064283097 /nfs/dbraw/zinc/28/30/97/1064283097.db2.gz CVVSCZTVCLKJAZ-OAQYLSRUSA-N 1 2 485.658 2.534 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001296173565 1064296480 /nfs/dbraw/zinc/29/64/80/1064296480.db2.gz JUXITHGNRLMRAR-MSOLQXFVSA-N 1 2 479.672 2.544 20 0 JFADLO CC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001296173565 1064296495 /nfs/dbraw/zinc/29/64/95/1064296495.db2.gz JUXITHGNRLMRAR-MSOLQXFVSA-N 1 2 479.672 2.544 20 0 JFADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCc3ccc(Cl)s3)C2)CC1 ZINC001296173842 1064298786 /nfs/dbraw/zinc/29/87/86/1064298786.db2.gz LWLXKPUEHFVWNQ-QGZVFWFLSA-N 1 2 480.082 2.590 20 0 JFADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)N4CCCC4)n3CCCSCC(C)C)C2)CC1 ZINC001296174124 1064301360 /nfs/dbraw/zinc/30/13/60/1064301360.db2.gz NXHMYPTWRAVYBN-NRFANRHFSA-N 1 2 477.723 2.510 20 0 JFADLO Cc1ccc(CNC(=O)NCC(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)cc1 ZINC001296199742 1064375151 /nfs/dbraw/zinc/37/51/51/1064375151.db2.gz ICYRZKASQHQEHC-UHFFFAOYSA-N 1 2 458.360 2.872 20 0 JFADLO COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC001296200130 1064375190 /nfs/dbraw/zinc/37/51/90/1064375190.db2.gz NXNIBIMBELCDFX-UHFFFAOYSA-N 1 2 457.962 2.648 20 0 JFADLO CC[C@H](c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1CCC(=O)NC)c1ccccc1 ZINC001291892806 1064520380 /nfs/dbraw/zinc/52/03/80/1064520380.db2.gz ITASTHVDIOZKLZ-NRFANRHFSA-N 1 2 451.575 2.575 20 0 JFADLO CC[C@@H](c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1CC(=O)N(C)CC)c1ccccc1 ZINC001291894947 1064525148 /nfs/dbraw/zinc/52/51/48/1064525148.db2.gz RMVWWOWCVCEXPD-JOCHJYFZSA-N 1 2 465.602 2.917 20 0 JFADLO CC[C@H](c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1CC(=O)N(C)CC)c1ccccc1 ZINC001291894950 1064525169 /nfs/dbraw/zinc/52/51/69/1064525169.db2.gz RMVWWOWCVCEXPD-QFIPXVFZSA-N 1 2 465.602 2.917 20 0 JFADLO CC[C@@H](c1nnc(N2CC[N@H+](CCOC)[C@@H](CC)C2)n1C[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC001291895741 1064527223 /nfs/dbraw/zinc/52/72/23/1064527223.db2.gz YGXHTSPQNWLKJY-AKIFATBCSA-N 1 2 489.686 2.802 20 0 JFADLO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@@H](CC)C2)n1C[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC001291895741 1064527233 /nfs/dbraw/zinc/52/72/33/1064527233.db2.gz YGXHTSPQNWLKJY-AKIFATBCSA-N 1 2 489.686 2.802 20 0 JFADLO CCC(CC)(Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)SC ZINC001291902907 1064533475 /nfs/dbraw/zinc/53/34/75/1064533475.db2.gz CUDCZQANHRZUFC-UHFFFAOYSA-N 1 2 472.663 2.861 20 0 JFADLO CCC(CC)(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc[nH+]2)CC1)SC ZINC001291910717 1064537822 /nfs/dbraw/zinc/53/78/22/1064537822.db2.gz HYKXXRDSYWONQE-KRWDZBQOSA-N 1 2 481.692 2.532 20 0 JFADLO CCC(CC)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC2)CC1)SC ZINC001291934549 1064553569 /nfs/dbraw/zinc/55/35/69/1064553569.db2.gz YGXDGXVXTNLXGL-QGZVFWFLSA-N 1 2 455.694 2.777 20 0 JFADLO CCNC(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001296324424 1064608754 /nfs/dbraw/zinc/60/87/54/1064608754.db2.gz KSPNRQYVSLNTJL-UHFFFAOYSA-N 1 2 479.585 2.777 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@H]2C)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001292043128 1064708891 /nfs/dbraw/zinc/70/88/91/1064708891.db2.gz DAKDXESGRSSSHV-ZWKOTPCHSA-N 1 2 455.607 2.711 20 0 JFADLO CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC001292056660 1064727088 /nfs/dbraw/zinc/72/70/88/1064727088.db2.gz CNYQKYIDUICVJF-YYDVJCTNSA-N 1 2 453.649 2.594 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1Cc1ccc(F)cc1F ZINC001292063687 1064737838 /nfs/dbraw/zinc/73/78/38/1064737838.db2.gz XTEZNQZQTBLLLW-OAQYLSRUSA-N 1 2 489.615 2.739 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCn1cc(Cl)cn1 ZINC001292074084 1064753422 /nfs/dbraw/zinc/75/34/22/1064753422.db2.gz LIBIJSUIQBJOBZ-UHFFFAOYSA-N 1 2 486.024 2.770 20 0 JFADLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)cc1 ZINC001292109111 1064807058 /nfs/dbraw/zinc/80/70/58/1064807058.db2.gz KDEHROPFFPCMOM-JOCHJYFZSA-N 1 2 457.596 2.761 20 0 JFADLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)cc1 ZINC001292109111 1064807069 /nfs/dbraw/zinc/80/70/69/1064807069.db2.gz KDEHROPFFPCMOM-JOCHJYFZSA-N 1 2 457.596 2.761 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CC1(C)CCC1 ZINC001292117256 1064843153 /nfs/dbraw/zinc/84/31/53/1064843153.db2.gz URWQRDDRNHOHQY-IBGZPJMESA-N 1 2 473.666 2.520 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CC1(C)CCC1 ZINC001292117257 1064843189 /nfs/dbraw/zinc/84/31/89/1064843189.db2.gz URWQRDDRNHOHQY-LJQANCHMSA-N 1 2 473.666 2.520 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1C[C@H]1CCCO1 ZINC001292121836 1064853706 /nfs/dbraw/zinc/85/37/06/1064853706.db2.gz HJRBKEXVHRHTOH-HXUWFJFHSA-N 1 2 484.649 2.924 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCN(Cc3nc(C)c(C)o3)CC2)n1Cc1c[nH+]ccc1OC ZINC001292125286 1064868283 /nfs/dbraw/zinc/86/82/83/1064868283.db2.gz BKLLAEKTUKDBOD-UHFFFAOYSA-N 1 2 496.616 2.575 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCOC(C)(C)[C@H]2C)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001292135127 1064898452 /nfs/dbraw/zinc/89/84/52/1064898452.db2.gz DJXSHFVMILRQQA-IEBWSBKVSA-N 1 2 499.664 2.701 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCOC(C)(C)[C@H]2C)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001292135127 1064898460 /nfs/dbraw/zinc/89/84/60/1064898460.db2.gz DJXSHFVMILRQQA-IEBWSBKVSA-N 1 2 499.664 2.701 20 0 JFADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)[C@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC001292142875 1064910151 /nfs/dbraw/zinc/91/01/51/1064910151.db2.gz VPWZYIMYRZSKGO-FQEVSTJZSA-N 1 2 455.530 2.596 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C)[C@H]2C)n1CC[N@@H+]1CCOCC1(C)C ZINC001292147106 1064925771 /nfs/dbraw/zinc/92/57/71/1064925771.db2.gz KBKQQXUXADYZGI-IAGOWNOFSA-N 1 2 452.669 2.638 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C)[C@H]2C)n1CC[N@H+]1CCOCC1(C)C ZINC001292147106 1064925781 /nfs/dbraw/zinc/92/57/81/1064925781.db2.gz KBKQQXUXADYZGI-IAGOWNOFSA-N 1 2 452.669 2.638 20 0 JFADLO CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1)OC ZINC001292162413 1064947508 /nfs/dbraw/zinc/94/75/08/1064947508.db2.gz IVUMNDJJSRNJGH-IBGZPJMESA-N 1 2 497.575 2.820 20 0 JFADLO CC[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)OC ZINC001292184310 1064975147 /nfs/dbraw/zinc/97/51/47/1064975147.db2.gz BXKUFDXZPRKSPF-OXQOHEQNSA-N 1 2 461.010 2.813 20 0 JFADLO CC[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)OC ZINC001292184308 1064975301 /nfs/dbraw/zinc/97/53/01/1064975301.db2.gz BXKUFDXZPRKSPF-OXJNMPFZSA-N 1 2 461.010 2.813 20 0 JFADLO CC[C@H](Cn1c(-c2cnccn2)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1)OC ZINC001292207178 1064995333 /nfs/dbraw/zinc/99/53/33/1064995333.db2.gz IRUOWMFTBLVUSG-GOSISDBHSA-N 1 2 455.538 2.630 20 0 JFADLO CC[C@@H](Cn1c(CC2CC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)NC(=O)OC(C)(C)C ZINC001292242553 1065024932 /nfs/dbraw/zinc/02/49/32/1065024932.db2.gz WCHFTDFQTMZYJD-IBGZPJMESA-N 1 2 470.622 2.959 20 0 JFADLO CC[C@]1(C)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCC3)[nH+]c2)C1 ZINC001292319719 1065083997 /nfs/dbraw/zinc/08/39/97/1065083997.db2.gz SQGNITRMHFAMQW-HTAPYJJXSA-N 1 2 461.636 2.558 20 0 JFADLO CCC1(CC)CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CCS1 ZINC001292394124 1065133369 /nfs/dbraw/zinc/13/33/69/1065133369.db2.gz QHEVGHLQEGEPCT-FQEVSTJZSA-N 1 2 478.707 2.983 20 0 JFADLO CCC1(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CC[NH+]2CCOCC2)CC1 ZINC001292435348 1065163540 /nfs/dbraw/zinc/16/35/40/1065163540.db2.gz HAEHMVQTJHEOMZ-IBGZPJMESA-N 1 2 478.638 2.545 20 0 JFADLO CCc1ccc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2CC2([NH+]3CCOCC3)CC2)cc1 ZINC001292457551 1065179639 /nfs/dbraw/zinc/17/96/39/1065179639.db2.gz HUDJZQYZRYISFW-UHFFFAOYSA-N 1 2 454.619 2.723 20 0 JFADLO O=C(Cn1cnc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)n1)NCc1ccccc1 ZINC001292504375 1065222003 /nfs/dbraw/zinc/22/20/03/1065222003.db2.gz REBNARYRJWOAAK-NRFANRHFSA-N 1 2 450.518 2.727 20 0 JFADLO O=C(Cn1cnc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)n1)NCc1ccccc1 ZINC001292504375 1065222015 /nfs/dbraw/zinc/22/20/15/1065222015.db2.gz REBNARYRJWOAAK-NRFANRHFSA-N 1 2 450.518 2.727 20 0 JFADLO CC(C)(O)C[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)CC1 ZINC001292514885 1065236055 /nfs/dbraw/zinc/23/60/55/1065236055.db2.gz KWBPGCHBHJCRLY-UHFFFAOYSA-N 1 2 451.976 2.670 20 0 JFADLO CCc1ccc(-c2nnc(N3CC[NH+]([C@H](C)C(=O)N4CCCC4)CC3)n2C[C@@](C)(O)CC)cc1 ZINC001292518175 1065240906 /nfs/dbraw/zinc/24/09/06/1065240906.db2.gz LYKUATHNTHHCQE-IBVKSMDESA-N 1 2 468.646 2.801 20 0 JFADLO C[C@@H]1C[N@H+](CCNC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)CCO1 ZINC001292572621 1065283846 /nfs/dbraw/zinc/28/38/46/1065283846.db2.gz ADMBIJQXUWYJEB-RHSMWYFYSA-N 1 2 456.381 2.852 20 0 JFADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)CCO1 ZINC001292572621 1065283853 /nfs/dbraw/zinc/28/38/53/1065283853.db2.gz ADMBIJQXUWYJEB-RHSMWYFYSA-N 1 2 456.381 2.852 20 0 JFADLO CCc1ccccc1OCc1nnc(N2CCS(=O)(=O)CC2)n1CCCNc1cccc[nH+]1 ZINC001292617300 1065352745 /nfs/dbraw/zinc/35/27/45/1065352745.db2.gz ATCOYXWOHVGPDY-UHFFFAOYSA-N 1 2 470.599 2.552 20 0 JFADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)Cc3cc(F)c(C)cc3F)cc2)CC1 ZINC001292705761 1065461569 /nfs/dbraw/zinc/46/15/69/1065461569.db2.gz CZZUWNSMTVELHI-UHFFFAOYSA-N 1 2 459.537 2.718 20 0 JFADLO Cn1cc(C(=O)Nc2ccc(OC(=O)CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1 ZINC001292716677 1065471356 /nfs/dbraw/zinc/47/13/56/1065471356.db2.gz ZGZDBVSFCWTMRO-UHFFFAOYSA-N 1 2 457.531 2.521 20 0 JFADLO COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC23CCOCC3)CC1 ZINC001292770597 1065526915 /nfs/dbraw/zinc/52/69/15/1065526915.db2.gz PMBJWJRCRJNUPG-NRFANRHFSA-N 1 2 459.587 2.756 20 0 JFADLO CCc1nnc(N(C)CC(=O)N(C)[C@H](C)c2ccccc2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001292814683 1065564959 /nfs/dbraw/zinc/56/49/59/1065564959.db2.gz DYEPHJNMBDLARN-HXUWFJFHSA-N 1 2 477.613 2.776 20 0 JFADLO CCc1nnc(N(C)Cc2ccc(OC)cc2OC)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001292832931 1065570339 /nfs/dbraw/zinc/57/03/39/1065570339.db2.gz AULXBNBXZFGOGI-GOSISDBHSA-N 1 2 466.590 2.995 20 0 JFADLO CCc1nnc(N(C)Cc2ccc(OC)cc2OC)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001292832931 1065570350 /nfs/dbraw/zinc/57/03/50/1065570350.db2.gz AULXBNBXZFGOGI-GOSISDBHSA-N 1 2 466.590 2.995 20 0 JFADLO CCc1nnc(N(C)Cc2ccc(OC)c(OC(F)F)c2)n1CC1([NH+]2CCOCC2)CC1 ZINC001292833263 1065570450 /nfs/dbraw/zinc/57/04/50/1065570450.db2.gz FWAMXEYTFVTVRP-UHFFFAOYSA-N 1 2 451.518 2.952 20 0 JFADLO CCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001293089889 1065739000 /nfs/dbraw/zinc/73/90/00/1065739000.db2.gz XCZWRXDCGSBRRJ-MOPGFXCFSA-N 1 2 485.633 2.955 20 0 JFADLO CCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(CSC)cc1 ZINC001293094020 1065743099 /nfs/dbraw/zinc/74/30/99/1065743099.db2.gz KODIBOOXVKCXIT-LJQANCHMSA-N 1 2 456.660 2.885 20 0 JFADLO CCc1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001293095400 1065745084 /nfs/dbraw/zinc/74/50/84/1065745084.db2.gz QVOHZXZFPDOYAE-AZUAARDMSA-N 1 2 466.552 2.987 20 0 JFADLO CCc1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001293096316 1065746238 /nfs/dbraw/zinc/74/62/38/1065746238.db2.gz WWHXQHWGQPZBAW-IAGOWNOFSA-N 1 2 467.540 2.582 20 0 JFADLO CCc1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001293122725 1065775215 /nfs/dbraw/zinc/77/52/15/1065775215.db2.gz BZMKYXLMCOQCRN-HXUWFJFHSA-N 1 2 466.552 2.907 20 0 JFADLO CCc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001293122454 1065775267 /nfs/dbraw/zinc/77/52/67/1065775267.db2.gz SLDRNLSZIYSHRG-LJQANCHMSA-N 1 2 484.542 2.764 20 0 JFADLO CCc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001293122454 1065775280 /nfs/dbraw/zinc/77/52/80/1065775280.db2.gz SLDRNLSZIYSHRG-LJQANCHMSA-N 1 2 484.542 2.764 20 0 JFADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)[C@@H]2CC(c3cn(C)nc3C)=NO2)cc1 ZINC001293136826 1065787546 /nfs/dbraw/zinc/78/75/46/1065787546.db2.gz JLZTYGKEDQUAJR-QHCPKHFHSA-N 1 2 450.543 2.936 20 0 JFADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001293215261 1065850588 /nfs/dbraw/zinc/85/05/88/1065850588.db2.gz FXTGLLRITOXATH-FUHIMQAGSA-N 1 2 477.009 2.507 20 0 JFADLO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001293226820 1065879329 /nfs/dbraw/zinc/87/93/29/1065879329.db2.gz DAVSXQDHHAYQFV-NRFANRHFSA-N 1 2 463.586 2.958 20 0 JFADLO CC[C@@H]1C(=O)NCCN1c1nnc(CSc2ccccc2OC)n1Cc1c[nH+]ccc1OC ZINC001293244322 1065908295 /nfs/dbraw/zinc/90/82/95/1065908295.db2.gz CYATVYFOKGRMGA-QGZVFWFLSA-N 1 2 468.583 2.746 20 0 JFADLO CC[C@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001293402513 1065994822 /nfs/dbraw/zinc/99/48/22/1065994822.db2.gz KXAJHDYYJGJEKI-IBGZPJMESA-N 1 2 460.573 2.938 20 0 JFADLO CC[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001293452427 1066011440 /nfs/dbraw/zinc/01/14/40/1066011440.db2.gz OFPQHYWILGELCM-ICSRJNTNSA-N 1 2 458.582 2.958 20 0 JFADLO CC[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001293452428 1066011458 /nfs/dbraw/zinc/01/14/58/1066011458.db2.gz OFPQHYWILGELCM-QUCCMNQESA-N 1 2 458.582 2.958 20 0 JFADLO CC[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC001293455131 1066011760 /nfs/dbraw/zinc/01/17/60/1066011760.db2.gz LKRVWRGUYWXLGX-QZTJIDSGSA-N 1 2 461.636 2.558 20 0 JFADLO CC[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC001293482085 1066020755 /nfs/dbraw/zinc/02/07/55/1066020755.db2.gz CHTSRMLLYMBMLZ-QFUCXCTJSA-N 1 2 461.632 2.728 20 0 JFADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCC(F)(F)CC2)CC[N@@H+]1CCOC ZINC001293599707 1066114692 /nfs/dbraw/zinc/11/46/92/1066114692.db2.gz NXCIGYONMABMHS-RBUKOAKNSA-N 1 2 489.633 2.553 20 0 JFADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCC(F)(F)CC2)CC[N@H+]1CCOC ZINC001293599707 1066114701 /nfs/dbraw/zinc/11/47/01/1066114701.db2.gz NXCIGYONMABMHS-RBUKOAKNSA-N 1 2 489.633 2.553 20 0 JFADLO CC[C@@H]1CN(c2nnc(COc3ccc(OC)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)CCS1 ZINC001293643595 1066158852 /nfs/dbraw/zinc/15/88/52/1066158852.db2.gz FSIMHAQWZRCATO-GHTZIAJQSA-N 1 2 461.632 2.918 20 0 JFADLO CC[C@@H]1CN(c2nnc(COc3ccc(OC)cc3)n2CC[N@H+]2CCOC[C@@H]2C)CCS1 ZINC001293643595 1066158855 /nfs/dbraw/zinc/15/88/55/1066158855.db2.gz FSIMHAQWZRCATO-GHTZIAJQSA-N 1 2 461.632 2.918 20 0 JFADLO CC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[S@@](=O)CC)C[C@H]1[NH+]1CCOCC1 ZINC001293654053 1066166750 /nfs/dbraw/zinc/16/67/50/1066166750.db2.gz WDIIOYGRQKCYML-NWZLUTJBSA-N 1 2 481.707 2.512 20 0 JFADLO CCCC(=O)Nc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N(C)CC[NH+]2CCOCC2)cc1 ZINC001293732834 1066188744 /nfs/dbraw/zinc/18/87/44/1066188744.db2.gz FOQIEGWXJMGBNL-OAQYLSRUSA-N 1 2 470.618 2.727 20 0 JFADLO CCCC(=O)N[C@@H]1CCCN(c2nnc(C(C)C)n2Cc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC001293739400 1066202633 /nfs/dbraw/zinc/20/26/33/1066202633.db2.gz UYDHRYGMDNQLIM-HXUWFJFHSA-N 1 2 455.607 2.567 20 0 JFADLO CCCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001293749822 1066223562 /nfs/dbraw/zinc/22/35/62/1066223562.db2.gz IJUJTHJUFQKFOA-WOJBJXKFSA-N 1 2 455.607 2.914 20 0 JFADLO COc1cc2cc(C(=O)N[C@H](Cc3ccccc3)C[NH+]3CCOCC3)[nH]c2c(OC)c1OC ZINC001293766943 1066256910 /nfs/dbraw/zinc/25/69/10/1066256910.db2.gz NXZAXKWALUWGFO-LJQANCHMSA-N 1 2 453.539 2.867 20 0 JFADLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Cc2csc(NC(=O)c3cccc(O)c3)n2)CC1 ZINC001293773555 1066263742 /nfs/dbraw/zinc/26/37/42/1066263742.db2.gz UJIMAUQGUVATSQ-INIZCTEOSA-N 1 2 451.552 2.944 20 0 JFADLO CCCC(=O)NC1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001293779450 1066273082 /nfs/dbraw/zinc/27/30/82/1066273082.db2.gz HMWMGFKFZKLIAT-OAQYLSRUSA-N 1 2 484.645 2.771 20 0 JFADLO CCCC(=O)NC1CCN(c2nnc(COc3cccc(C)c3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001293779450 1066273097 /nfs/dbraw/zinc/27/30/97/1066273097.db2.gz HMWMGFKFZKLIAT-OAQYLSRUSA-N 1 2 484.645 2.771 20 0 JFADLO CCCC(=O)NC[C@@H]1CCCN(c2nnc(C(C)C)n2Cc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC001293782536 1066279453 /nfs/dbraw/zinc/27/94/53/1066279453.db2.gz ZVGGXZZZIGHIED-FQEVSTJZSA-N 1 2 469.634 2.814 20 0 JFADLO CCCC(=O)NC[C@H]1CCCN(c2nnc(C(C)C)n2Cc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC001293782537 1066279612 /nfs/dbraw/zinc/27/96/12/1066279612.db2.gz ZVGGXZZZIGHIED-HXUWFJFHSA-N 1 2 469.634 2.814 20 0 JFADLO CCN(C(=O)c1cccc(S(=O)(=O)NC)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001293785121 1066282489 /nfs/dbraw/zinc/28/24/89/1066282489.db2.gz UUJWSHUHBFDBRE-UHFFFAOYSA-N 1 2 459.616 2.948 20 0 JFADLO CCC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001293817569 1066324816 /nfs/dbraw/zinc/32/48/16/1066324816.db2.gz ISCIPWINULAEFB-OFVILXPXSA-N 1 2 455.651 2.804 20 0 JFADLO CC(C)(C)OC(=O)N[C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NCc1ccc(=O)[nH]c1 ZINC001293853635 1066360378 /nfs/dbraw/zinc/36/03/78/1066360378.db2.gz SJSPWTIBRVWKSC-FQEVSTJZSA-N 1 2 451.527 2.784 20 0 JFADLO CCC[C@@H](C)C(=O)NCCn1c(-c2ccccn2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001293855704 1066362816 /nfs/dbraw/zinc/36/28/16/1066362816.db2.gz IRECIXAPNPHDCI-GOSISDBHSA-N 1 2 462.602 2.916 20 0 JFADLO CCC[C@H](C)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001293884838 1066389059 /nfs/dbraw/zinc/38/90/59/1066389059.db2.gz JXMYOYBTTOOPQZ-NLWGTHIKSA-N 1 2 455.607 2.770 20 0 JFADLO CCC[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001293916659 1066399726 /nfs/dbraw/zinc/39/97/26/1066399726.db2.gz LQWZDMPCLSIRHJ-IRLDBZIGSA-N 1 2 453.635 2.672 20 0 JFADLO CCC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)OC ZINC001293953804 1066452257 /nfs/dbraw/zinc/45/22/57/1066452257.db2.gz VFAPEZMOMKXARI-HXUWFJFHSA-N 1 2 484.649 2.878 20 0 JFADLO CCC[C@@H](Cn1c(-c2ccccc2C)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1)OC ZINC001293961515 1066461605 /nfs/dbraw/zinc/46/16/05/1066461605.db2.gz APJMFWWNYWHXOB-NRFANRHFSA-N 1 2 454.619 2.813 20 0 JFADLO CCC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1)OC ZINC001293968286 1066468472 /nfs/dbraw/zinc/46/84/72/1066468472.db2.gz CDVHQFCMZZAENS-ICSRJNTNSA-N 1 2 457.623 2.658 20 0 JFADLO CCCC(O)(CCC)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001294003553 1066502932 /nfs/dbraw/zinc/50/29/32/1066502932.db2.gz MNCHUJBDGZCMSQ-UHFFFAOYSA-N 1 2 483.661 2.724 20 0 JFADLO CCC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC001294069446 1066539731 /nfs/dbraw/zinc/53/97/31/1066539731.db2.gz PZXGGKVRWSLAPF-GHTZIAJQSA-N 1 2 496.077 2.970 20 0 JFADLO CCC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC001294069446 1066539739 /nfs/dbraw/zinc/53/97/39/1066539739.db2.gz PZXGGKVRWSLAPF-GHTZIAJQSA-N 1 2 496.077 2.970 20 0 JFADLO CCOC(=O)c1cc2n(n1)CCCN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001164410326 718866556 /nfs/dbraw/zinc/86/65/56/718866556.db2.gz ZBYURGNDMCYLKA-UHFFFAOYSA-N 1 2 488.592 2.823 20 0 JFADLO COCCN1CC[N@H+](C)C2(CCN(c3nc4ccccc4nc3N3CCCC[C@@H]3C)CC2)C1=O ZINC001164644082 719280150 /nfs/dbraw/zinc/28/01/50/719280150.db2.gz BUFILZJTZHFALG-FQEVSTJZSA-N 1 2 466.630 2.768 20 0 JFADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc4ccccc4nc3N3CCCC[C@@H]3C)CC2)C1=O ZINC001164644082 719280151 /nfs/dbraw/zinc/28/01/51/719280151.db2.gz BUFILZJTZHFALG-FQEVSTJZSA-N 1 2 466.630 2.768 20 0 JFADLO COCCN1CC[N@H+](C)C2(CCN(c3cnc(Cl)nc3Oc3ccccc3C)CC2)C1=O ZINC001164644471 719284049 /nfs/dbraw/zinc/28/40/49/719284049.db2.gz KUHSVFONOYVOTF-UHFFFAOYSA-N 1 2 459.978 2.990 20 0 JFADLO COCCN1CC[N@@H+](C)C2(CCN(c3cnc(Cl)nc3Oc3ccccc3C)CC2)C1=O ZINC001164644471 719284051 /nfs/dbraw/zinc/28/40/51/719284051.db2.gz KUHSVFONOYVOTF-UHFFFAOYSA-N 1 2 459.978 2.990 20 0 JFADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)ncc1C(N)=O)CC2 ZINC001164663785 719347484 /nfs/dbraw/zinc/34/74/84/719347484.db2.gz LSMFYWVUEKFUNT-UHFFFAOYSA-N 1 2 451.962 2.924 20 0 JFADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)ncc1C(N)=O)CC2 ZINC001164663785 719347485 /nfs/dbraw/zinc/34/74/85/719347485.db2.gz LSMFYWVUEKFUNT-UHFFFAOYSA-N 1 2 451.962 2.924 20 0 JFADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(S(N)(=O)=O)cc1F)CC2 ZINC001164664893 719355801 /nfs/dbraw/zinc/35/58/01/719355801.db2.gz RREKLVSDODFXMF-UHFFFAOYSA-N 1 2 470.574 2.563 20 0 JFADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(S(N)(=O)=O)cc1F)CC2 ZINC001164664893 719355804 /nfs/dbraw/zinc/35/58/04/719355804.db2.gz RREKLVSDODFXMF-UHFFFAOYSA-N 1 2 470.574 2.563 20 0 JFADLO COC(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1C(=O)OC ZINC001164672156 719496137 /nfs/dbraw/zinc/49/61/37/719496137.db2.gz GEPVQPUKMZFCIS-UHFFFAOYSA-N 1 2 457.502 2.665 20 0 JFADLO COC(=O)c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1C(=O)OC ZINC001164672156 719496144 /nfs/dbraw/zinc/49/61/44/719496144.db2.gz GEPVQPUKMZFCIS-UHFFFAOYSA-N 1 2 457.502 2.665 20 0 JFADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCc5nnc(COc6ccccn6)n5CC4)c3C2)cc1 ZINC001164681770 719684582 /nfs/dbraw/zinc/68/45/82/719684582.db2.gz AGDCXKDVJUHYJR-UHFFFAOYSA-N 1 2 468.565 2.663 20 0 JFADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCc5nnc(COc6ccccn6)n5CC4)c3C2)cc1 ZINC001164681770 719684590 /nfs/dbraw/zinc/68/45/90/719684590.db2.gz AGDCXKDVJUHYJR-UHFFFAOYSA-N 1 2 468.565 2.663 20 0 JFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c(Cl)nc(Cl)nc21 ZINC001164697298 719846566 /nfs/dbraw/zinc/84/65/66/719846566.db2.gz CJVGXKQGJGBRQH-MLCYQJTMSA-N 1 2 475.764 2.613 20 0 JFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1CN(Cc1ccccc1)C2 ZINC001164704723 719847532 /nfs/dbraw/zinc/84/75/32/719847532.db2.gz SLUVXCMYWYYEEQ-KBMIEXCESA-N 1 2 486.016 2.879 20 0 JFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1ncn2Cc1ccccc1 ZINC001164696606 719847542 /nfs/dbraw/zinc/84/75/42/719847542.db2.gz AKKIGOTXRDWNNL-HOYKHHGWSA-N 1 2 484.988 2.761 20 0 JFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1CN(Cc1ccccc1)C2 ZINC001164704727 719847678 /nfs/dbraw/zinc/84/76/78/719847678.db2.gz SLUVXCMYWYYEEQ-UQBPGWFLSA-N 1 2 486.016 2.879 20 0 JFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2cc(OC)c(OC)cc2nc1Cl ZINC001164700103 719855912 /nfs/dbraw/zinc/85/59/12/719855912.db2.gz GKIKLRKGHXOKBG-FPTDNZKUSA-N 1 2 464.950 2.533 20 0 JFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(Cl)ncc1C(=O)OC(C)(C)C ZINC001164706416 719859606 /nfs/dbraw/zinc/85/96/06/719859606.db2.gz XFNHNMSQKHOOHE-QRQCRPRQSA-N 1 2 453.967 2.923 20 0 JFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(Cl)ncc1C(=O)OC(C)(C)C ZINC001164706413 719859708 /nfs/dbraw/zinc/85/97/08/719859708.db2.gz XFNHNMSQKHOOHE-IVZQSRNASA-N 1 2 453.967 2.923 20 0 JFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2ccn(C(=O)c3ccccc3)c2n1 ZINC001164705649 719865407 /nfs/dbraw/zinc/86/54/07/719865407.db2.gz NIMVKRPVPBBQDO-HFZDXXHNSA-N 1 2 462.550 2.958 20 0 JFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(C(=O)NC2CCCC2)cc1Cl ZINC001164700449 719869757 /nfs/dbraw/zinc/86/97/57/719869757.db2.gz DMNDPUFEENJYIR-WZONZLPQSA-N 1 2 464.994 2.640 20 0 JFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(C(=O)N2CCCCC2)cc1Cl ZINC001164708011 719870280 /nfs/dbraw/zinc/87/02/80/719870280.db2.gz XFOBWVGSDSMIEK-WZONZLPQSA-N 1 2 464.994 2.594 20 0 JFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)OCc2ccccc2)cn1 ZINC001164700536 719871210 /nfs/dbraw/zinc/87/12/10/719871210.db2.gz DVDBWUDQHZGKFG-PXDATVDWSA-N 1 2 453.539 2.671 20 0 JFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(Oc2ccc(OC)cc2)nc(C)n1 ZINC001164707854 719876056 /nfs/dbraw/zinc/87/60/56/719876056.db2.gz WDWMTOWTGYSOPK-UUOWRZLLSA-N 1 2 456.543 2.819 20 0 JFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(C(=O)OC(C)(C)C)cc1Cl ZINC001164708204 719876597 /nfs/dbraw/zinc/87/65/97/719876597.db2.gz YNYCHSFDKUTTPD-OPAMFIHVSA-N 1 2 453.967 2.923 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc3nc(Cl)cnc3cc1Cl)CC2 ZINC001164708666 719904942 /nfs/dbraw/zinc/90/49/42/719904942.db2.gz FUXIEVBWDSMMPT-UHFFFAOYSA-N 1 2 460.369 2.620 20 0 JFADLO C[C@H]1CCCCN1c1nc2ccccc2nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708794 719922067 /nfs/dbraw/zinc/92/20/67/719922067.db2.gz QSVOPIVLUTZYOC-IBGZPJMESA-N 1 2 488.640 2.692 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(C(=O)Nc3cccc(Cl)c3)cn1)CC2 ZINC001164708065 719925318 /nfs/dbraw/zinc/92/53/18/719925318.db2.gz BECHSVUAQSWRNW-UHFFFAOYSA-N 1 2 493.999 2.671 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(-c3nc(-c4cccs4)no3)ccn1)CC2 ZINC001164708126 719931617 /nfs/dbraw/zinc/93/16/17/719931617.db2.gz DIBOPRLVVZISIG-UHFFFAOYSA-N 1 2 490.593 2.544 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(C(F)F)nc3ccc(Cl)cc31)CC2 ZINC001164708110 719934874 /nfs/dbraw/zinc/93/48/74/719934874.db2.gz CJVKOXIDFWAIRR-UHFFFAOYSA-N 1 2 475.931 2.905 20 0 JFADLO Cc1ccccc1Oc1nc(Cl)ncc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708109 719936492 /nfs/dbraw/zinc/93/64/92/719936492.db2.gz CJVFYDNJLRHOSV-UHFFFAOYSA-N 1 2 481.988 2.915 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cnc(Cl)nc1Oc1ccccc1F)CC2 ZINC001164708844 719938358 /nfs/dbraw/zinc/93/83/58/719938358.db2.gz UPJSYAVDINWUHB-UHFFFAOYSA-N 1 2 485.951 2.745 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)C1(c3ccc(Cl)nc3)CC1)CC2 ZINC001164714167 720049130 /nfs/dbraw/zinc/04/91/30/720049130.db2.gz PSMWNJMEUVONPL-UHFFFAOYSA-N 1 2 464.948 2.539 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)C1(c3ccnc(Cl)c3)CC1)CC2 ZINC001164711076 720049731 /nfs/dbraw/zinc/04/97/31/720049731.db2.gz HEDQUWSEPJLOEC-UHFFFAOYSA-N 1 2 464.948 2.539 20 0 JFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3cccc(OC)c3)C2)C1 ZINC001164723429 720306339 /nfs/dbraw/zinc/30/63/39/720306339.db2.gz OTZLYLVLCPSUMW-QHCPKHFHSA-N 1 2 475.977 2.596 20 0 JFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3cccc(OC)c3)C2)C1 ZINC001164723429 720306346 /nfs/dbraw/zinc/30/63/46/720306346.db2.gz OTZLYLVLCPSUMW-QHCPKHFHSA-N 1 2 475.977 2.596 20 0 JFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3cccc(F)c3)C2)C1 ZINC001164723355 720306357 /nfs/dbraw/zinc/30/63/57/720306357.db2.gz NWCMCFBXFMVESB-QFIPXVFZSA-N 1 2 463.941 2.726 20 0 JFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3cccc(F)c3)C2)C1 ZINC001164723355 720306363 /nfs/dbraw/zinc/30/63/63/720306363.db2.gz NWCMCFBXFMVESB-QFIPXVFZSA-N 1 2 463.941 2.726 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5ncccc54)CC3)C2=O)cs1 ZINC001164824102 720360810 /nfs/dbraw/zinc/36/08/10/720360810.db2.gz JFCLQKMWSCCLLJ-UHFFFAOYSA-N 1 2 457.991 2.756 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5ncccc54)CC3)C2=O)cs1 ZINC001164824102 720360814 /nfs/dbraw/zinc/36/08/14/720360814.db2.gz JFCLQKMWSCCLLJ-UHFFFAOYSA-N 1 2 457.991 2.756 20 0 JFADLO COc1cccc2c1ncnc2N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164823975 720363546 /nfs/dbraw/zinc/36/35/46/720363546.db2.gz FANJOMNYBNOJRL-UHFFFAOYSA-N 1 2 452.584 2.717 20 0 JFADLO COc1cccc2c1ncnc2N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164823975 720363549 /nfs/dbraw/zinc/36/35/49/720363549.db2.gz FANJOMNYBNOJRL-UHFFFAOYSA-N 1 2 452.584 2.717 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccnc(NC(=O)OC(C)(C)C)n4)CC3)C2=O)cs1 ZINC001164824836 720365206 /nfs/dbraw/zinc/36/52/06/720365206.db2.gz NXVJOALKYOULGF-UHFFFAOYSA-N 1 2 487.630 2.902 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccnc(NC(=O)OC(C)(C)C)n4)CC3)C2=O)cs1 ZINC001164824836 720365212 /nfs/dbraw/zinc/36/52/12/720365212.db2.gz NXVJOALKYOULGF-UHFFFAOYSA-N 1 2 487.630 2.902 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN([C@@H](F)Oc4cccc(Cl)n4)CC3)C2=O)cs1 ZINC001164819690 720369245 /nfs/dbraw/zinc/36/92/45/720369245.db2.gz FZDJWGMFJHRLRT-LJQANCHMSA-N 1 2 453.971 2.941 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN([C@@H](F)Oc4cccc(Cl)n4)CC3)C2=O)cs1 ZINC001164819690 720369254 /nfs/dbraw/zinc/36/92/54/720369254.db2.gz FZDJWGMFJHRLRT-LJQANCHMSA-N 1 2 453.971 2.941 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5ncsc54)CC3)C2=O)cs1 ZINC001164821148 720370861 /nfs/dbraw/zinc/37/08/61/720370861.db2.gz XXJMUUBDTGCJOR-UHFFFAOYSA-N 1 2 464.020 2.818 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5ncsc54)CC3)C2=O)cs1 ZINC001164821148 720370871 /nfs/dbraw/zinc/37/08/71/720370871.db2.gz XXJMUUBDTGCJOR-UHFFFAOYSA-N 1 2 464.020 2.818 20 0 JFADLO COc1ccc2nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)ncc2c1 ZINC001164819682 720371440 /nfs/dbraw/zinc/37/14/40/720371440.db2.gz FTBVEYCMHSGPRM-UHFFFAOYSA-N 1 2 452.584 2.717 20 0 JFADLO COc1ccc2nc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)ncc2c1 ZINC001164819682 720371445 /nfs/dbraw/zinc/37/14/45/720371445.db2.gz FTBVEYCMHSGPRM-UHFFFAOYSA-N 1 2 452.584 2.717 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc(-c5cccnc5F)n4)CC3)C2=O)cs1 ZINC001164820024 720374757 /nfs/dbraw/zinc/37/47/57/720374757.db2.gz KJEBZJAXZMXPPF-UHFFFAOYSA-N 1 2 467.574 2.756 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc(-c5cccnc5F)n4)CC3)C2=O)cs1 ZINC001164820024 720374763 /nfs/dbraw/zinc/37/47/63/720374763.db2.gz KJEBZJAXZMXPPF-UHFFFAOYSA-N 1 2 467.574 2.756 20 0 JFADLO CCOC(=O)c1cc2ccc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)[nH]c-2n1 ZINC001164821182 720374863 /nfs/dbraw/zinc/37/48/63/720374863.db2.gz ZVUIZXWKONCXFH-UHFFFAOYSA-N 1 2 482.610 2.818 20 0 JFADLO CCOC(=O)c1cc2ccc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)[nH]c-2n1 ZINC001164821182 720374868 /nfs/dbraw/zinc/37/48/68/720374868.db2.gz ZVUIZXWKONCXFH-UHFFFAOYSA-N 1 2 482.610 2.818 20 0 JFADLO CCOC(=O)c1cc2ccc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)nc2[nH]1 ZINC001164821182 720374875 /nfs/dbraw/zinc/37/48/75/720374875.db2.gz ZVUIZXWKONCXFH-UHFFFAOYSA-N 1 2 482.610 2.818 20 0 JFADLO CCOC(=O)c1cc2ccc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)nc2[nH]1 ZINC001164821182 720374878 /nfs/dbraw/zinc/37/48/78/720374878.db2.gz ZVUIZXWKONCXFH-UHFFFAOYSA-N 1 2 482.610 2.818 20 0 JFADLO CCOC(=O)/C=C\c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc1 ZINC001164820029 720374981 /nfs/dbraw/zinc/37/49/81/720374981.db2.gz KLKISCHXLPBUMA-VURMDHGXSA-N 1 2 469.611 2.736 20 0 JFADLO CCOC(=O)/C=C\c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc1 ZINC001164820029 720374987 /nfs/dbraw/zinc/37/49/87/720374987.db2.gz KLKISCHXLPBUMA-VURMDHGXSA-N 1 2 469.611 2.736 20 0 JFADLO CSc1cnc(Cl)c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164820600 720377739 /nfs/dbraw/zinc/37/77/39/720377739.db2.gz PZWZAQBZBNCUAE-UHFFFAOYSA-N 1 2 453.037 2.930 20 0 JFADLO CSc1cnc(Cl)c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164820600 720377744 /nfs/dbraw/zinc/37/77/44/720377744.db2.gz PZWZAQBZBNCUAE-UHFFFAOYSA-N 1 2 453.037 2.930 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cncc(N5CCCCCC5)n4)CC3)C2=O)cs1 ZINC001164822944 720383178 /nfs/dbraw/zinc/38/31/78/720383178.db2.gz NQOBMMJSYLINNO-UHFFFAOYSA-N 1 2 469.659 2.935 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cncc(N5CCCCCC5)n4)CC3)C2=O)cs1 ZINC001164822944 720383182 /nfs/dbraw/zinc/38/31/82/720383182.db2.gz NQOBMMJSYLINNO-UHFFFAOYSA-N 1 2 469.659 2.935 20 0 JFADLO CSc1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc(SC)n1 ZINC001164821722 720385468 /nfs/dbraw/zinc/38/54/68/720385468.db2.gz HXEQURZPRIYCPD-UHFFFAOYSA-N 1 2 464.686 2.999 20 0 JFADLO CSc1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc(SC)n1 ZINC001164821722 720385475 /nfs/dbraw/zinc/38/54/75/720385475.db2.gz HXEQURZPRIYCPD-UHFFFAOYSA-N 1 2 464.686 2.999 20 0 JFADLO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164828189 720399353 /nfs/dbraw/zinc/39/93/53/720399353.db2.gz IUCUEYAPCZLGIV-UHFFFAOYSA-N 1 2 452.853 2.619 20 0 JFADLO Cc1cc(C(F)(F)N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)cc(Cl)n1 ZINC001164823709 720431522 /nfs/dbraw/zinc/43/15/22/720431522.db2.gz JFOBWKXGIYYYTL-MRXNPFEDSA-N 1 2 455.937 2.774 20 0 JFADLO Cc1ccc2nc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c(Cl)nc2c1 ZINC001164825685 720448964 /nfs/dbraw/zinc/44/89/64/720448964.db2.gz UGIYDXNNZHGTRH-QGZVFWFLSA-N 1 2 456.978 2.778 20 0 JFADLO Cc1nc2cc(Cl)ccc2c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164825134 720452537 /nfs/dbraw/zinc/45/25/37/720452537.db2.gz QHPUCLCOIAFLID-KRWDZBQOSA-N 1 2 456.978 2.778 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(C(=O)Nc3ccccc3)ccn1)C2 ZINC001164822384 720454599 /nfs/dbraw/zinc/45/45/99/720454599.db2.gz DKSIQZSPLJWGBD-NRFANRHFSA-N 1 2 476.581 2.520 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)C2 ZINC001164832283 720466559 /nfs/dbraw/zinc/46/65/59/720466559.db2.gz SPGPAUMMBTXYDO-AWEZNQCLSA-N 1 2 491.370 2.600 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(-c3c(F)cccc3F)nn1)C2 ZINC001164832262 720475069 /nfs/dbraw/zinc/47/50/69/720475069.db2.gz SBXMTCSNDYIZDO-QGZVFWFLSA-N 1 2 470.524 2.608 20 0 JFADLO Cc1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc(-c2cccs2)n1 ZINC001164832652 720475095 /nfs/dbraw/zinc/47/50/95/720475095.db2.gz VAHFCEIBYQAAOR-SFHVURJKSA-N 1 2 454.600 2.700 20 0 JFADLO Cc1c(Cl)nc(CC(C)C)nc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164834498 720479148 /nfs/dbraw/zinc/47/91/48/720479148.db2.gz SROYPVMNEQNHAK-SFHVURJKSA-N 1 2 463.026 2.823 20 0 JFADLO COc1ccc(Oc2cc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nc(C)n2)cc1 ZINC001164833227 720479922 /nfs/dbraw/zinc/47/99/22/720479922.db2.gz OBTAQFHTEKXPTH-FQEVSTJZSA-N 1 2 494.596 2.772 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc(F)c(-c3ccsc3)n1)C2 ZINC001164833834 720481276 /nfs/dbraw/zinc/48/12/76/720481276.db2.gz QOSHRHJRIDREKP-KRWDZBQOSA-N 1 2 458.563 2.530 20 0 JFADLO Cc1cc(-c2ccccc2F)nnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164833230 720481336 /nfs/dbraw/zinc/48/13/36/720481336.db2.gz OCUAEQUANPAEOL-LJQANCHMSA-N 1 2 466.561 2.777 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc(F)c(-c3ccsc3)n1)C2 ZINC001164833837 720481644 /nfs/dbraw/zinc/48/16/44/720481644.db2.gz QOSHRHJRIDREKP-QGZVFWFLSA-N 1 2 458.563 2.530 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(Cl)(Cl)Oc1ccc(Cl)nc1)C2 ZINC001164835424 720483775 /nfs/dbraw/zinc/48/37/75/720483775.db2.gz XXDMVLZILIARBX-OAHLLOKOSA-N 1 2 490.819 2.884 20 0 JFADLO O=C(c1cccnc1N1C[C@@H]2C(=O)N(Cc3ccncc3)C[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164853110 720812123 /nfs/dbraw/zinc/81/21/23/720812123.db2.gz POFUYEIHFAPWIJ-AHWVRZQESA-N 1 2 496.615 2.529 20 0 JFADLO COCCN1CCN(c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)Cc2cccnc21 ZINC001164886754 721369006 /nfs/dbraw/zinc/36/90/06/721369006.db2.gz NRBOIQDGRKBPRM-UHFFFAOYSA-N 1 2 486.620 2.908 20 0 JFADLO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165009942 721695861 /nfs/dbraw/zinc/69/58/61/721695861.db2.gz RZJBFNVEXSKGEP-UHFFFAOYSA-N 1 2 457.913 2.694 20 0 JFADLO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165009942 721695866 /nfs/dbraw/zinc/69/58/66/721695866.db2.gz RZJBFNVEXSKGEP-UHFFFAOYSA-N 1 2 457.913 2.694 20 0 JFADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)CC2 ZINC001165015175 721765603 /nfs/dbraw/zinc/76/56/03/721765603.db2.gz NCZRYFWIZIIQNJ-UHFFFAOYSA-N 1 2 486.914 2.751 20 0 JFADLO CSc1ccc(C(F)(F)N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)nc1Cl ZINC001165013962 721766107 /nfs/dbraw/zinc/76/61/07/721766107.db2.gz BWDWYUYEHMGHLO-UHFFFAOYSA-N 1 2 481.960 2.925 20 0 JFADLO O=C(NC1CCCCC1)c1cccnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912499 721771083 /nfs/dbraw/zinc/77/10/83/721771083.db2.gz MXKKIYKMEMAFRH-SANMLTNESA-N 1 2 465.598 2.647 20 0 JFADLO O=C(NC1CCCCC1)c1cccnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912499 721771086 /nfs/dbraw/zinc/77/10/86/721771086.db2.gz MXKKIYKMEMAFRH-SANMLTNESA-N 1 2 465.598 2.647 20 0 JFADLO Clc1nc(Cl)c2nc(Cl)nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2n1 ZINC001164912732 721775085 /nfs/dbraw/zinc/77/50/85/721775085.db2.gz OYVJEWAAHVCDFJ-FQEVSTJZSA-N 1 2 496.786 2.883 20 0 JFADLO Clc1nc(Cl)c2nc(Cl)nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2n1 ZINC001164912732 721775090 /nfs/dbraw/zinc/77/50/90/721775090.db2.gz OYVJEWAAHVCDFJ-FQEVSTJZSA-N 1 2 496.786 2.883 20 0 JFADLO CCOC(=O)c1cnc(Cl)c(C)c1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915210 721786119 /nfs/dbraw/zinc/78/61/19/721786119.db2.gz KJTDPQHBBWFZPL-HSZRJFAPSA-N 1 2 460.962 2.723 20 0 JFADLO CCOC(=O)c1cnc(Cl)c(C)c1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915210 721786122 /nfs/dbraw/zinc/78/61/22/721786122.db2.gz KJTDPQHBBWFZPL-HSZRJFAPSA-N 1 2 460.962 2.723 20 0 JFADLO CCOC(=O)c1cc2ccccc2nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916041 721788806 /nfs/dbraw/zinc/78/88/06/721788806.db2.gz OFVPPSZQKOXMOQ-SANMLTNESA-N 1 2 462.550 2.914 20 0 JFADLO CCOC(=O)c1cc2ccccc2nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916041 721788810 /nfs/dbraw/zinc/78/88/10/721788810.db2.gz OFVPPSZQKOXMOQ-SANMLTNESA-N 1 2 462.550 2.914 20 0 JFADLO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915635 721791477 /nfs/dbraw/zinc/79/14/77/721791477.db2.gz MGZRIAFTPZQVQQ-OAQYLSRUSA-N 1 2 476.915 2.726 20 0 JFADLO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915635 721791478 /nfs/dbraw/zinc/79/14/78/721791478.db2.gz MGZRIAFTPZQVQQ-OAQYLSRUSA-N 1 2 476.915 2.726 20 0 JFADLO COC(=O)C[C@H](c1ccnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1)C1CC1 ZINC001164913791 721792965 /nfs/dbraw/zinc/79/29/65/721792965.db2.gz HKBLJEGWMHFIAT-JYFHCDHNSA-N 1 2 466.582 2.641 20 0 JFADLO COC(=O)C[C@H](c1ccnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1)C1CC1 ZINC001164913791 721792968 /nfs/dbraw/zinc/79/29/68/721792968.db2.gz HKBLJEGWMHFIAT-JYFHCDHNSA-N 1 2 466.582 2.641 20 0 JFADLO O=C(c1cccnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2)N1CCc2ccccc21 ZINC001164915278 721794040 /nfs/dbraw/zinc/79/40/40/721794040.db2.gz VJLQGECJPRMHTB-MUUNZHRXSA-N 1 2 485.588 2.787 20 0 JFADLO O=C(c1cccnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2)N1CCc2ccccc21 ZINC001164915278 721794044 /nfs/dbraw/zinc/79/40/44/721794044.db2.gz VJLQGECJPRMHTB-MUUNZHRXSA-N 1 2 485.588 2.787 20 0 JFADLO COc1ccc(OC)c(-c2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)c1 ZINC001164914421 721797961 /nfs/dbraw/zinc/79/79/61/721797961.db2.gz NERCXGAQNFBOSZ-SANMLTNESA-N 1 2 477.565 2.664 20 0 JFADLO COc1ccc(OC)c(-c2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)c1 ZINC001164914421 721797964 /nfs/dbraw/zinc/79/79/64/721797964.db2.gz NERCXGAQNFBOSZ-SANMLTNESA-N 1 2 477.565 2.664 20 0 JFADLO Cc1cc(OCc2ccccc2)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915745 721799189 /nfs/dbraw/zinc/79/91/89/721799189.db2.gz ZEJOLUOLSIXPQS-SANMLTNESA-N 1 2 461.566 2.867 20 0 JFADLO Cc1cc(OCc2ccccc2)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915745 721799190 /nfs/dbraw/zinc/79/91/90/721799190.db2.gz ZEJOLUOLSIXPQS-SANMLTNESA-N 1 2 461.566 2.867 20 0 JFADLO CCOC(=O)C1(F)CCN(c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001165017941 721834683 /nfs/dbraw/zinc/83/46/83/721834683.db2.gz NZYYRNHPAHNHCN-UHFFFAOYSA-N 1 2 454.546 2.911 20 0 JFADLO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1cc(NS(=O)(=O)c2ccc(Cl)nc2)ccc1F ZINC001164931016 721883977 /nfs/dbraw/zinc/88/39/77/721883977.db2.gz DZHOCZZUTQRIAP-RBUKOAKNSA-N 1 2 467.998 2.890 20 0 JFADLO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1cc(NS(=O)(=O)c2ccc(Cl)nc2)ccc1F ZINC001164931016 721883978 /nfs/dbraw/zinc/88/39/78/721883978.db2.gz DZHOCZZUTQRIAP-RBUKOAKNSA-N 1 2 467.998 2.890 20 0 JFADLO O=C([C@@H]1COc2ccccc2O1)N1CCN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CC1 ZINC001165049236 721980555 /nfs/dbraw/zinc/98/05/55/721980555.db2.gz JKUFOBRPJGRFIG-VWLOTQADSA-N 1 2 471.561 2.524 20 0 JFADLO O=C([C@@H]1COc2ccccc2O1)N1CCN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC001165049236 721980558 /nfs/dbraw/zinc/98/05/58/721980558.db2.gz JKUFOBRPJGRFIG-VWLOTQADSA-N 1 2 471.561 2.524 20 0 JFADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@@H]2CCCO[C@H]12)c1cscn1 ZINC001164949690 721999665 /nfs/dbraw/zinc/99/96/65/721999665.db2.gz FFVDVZNDODIWRN-YMPZKCBVSA-N 1 2 476.606 2.658 20 0 JFADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@@H]2CCCO[C@H]12)c1cscn1 ZINC001164949690 721999668 /nfs/dbraw/zinc/99/96/68/721999668.db2.gz FFVDVZNDODIWRN-YMPZKCBVSA-N 1 2 476.606 2.658 20 0 JFADLO CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC[C@@H]21 ZINC001164969637 722080017 /nfs/dbraw/zinc/08/00/17/722080017.db2.gz LUJNOAYNYDUWLJ-UMFSSWHCSA-N 1 2 471.609 2.747 20 0 JFADLO CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC[C@@H]21 ZINC001164969637 722080018 /nfs/dbraw/zinc/08/00/18/722080018.db2.gz LUJNOAYNYDUWLJ-UMFSSWHCSA-N 1 2 471.609 2.747 20 0 JFADLO CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC001264342073 1059576358 /nfs/dbraw/zinc/57/63/58/1059576358.db2.gz NJICUSWZZHDCGN-QFIPXVFZSA-N 1 2 452.555 2.563 20 0 JFADLO COc1cc(OC)cc(C(=O)N2CCC(C(=O)NCCc3cn4cccc(C)c4[nH+]3)CC2)c1 ZINC001265634020 1059901745 /nfs/dbraw/zinc/90/17/45/1059901745.db2.gz OXOIYPMEAYTSHZ-UHFFFAOYSA-N 1 2 450.539 2.871 20 0 JFADLO CC(=O)N1CC[C@H](CN(C)c2nnc(C(C)(C)C)n2C[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC001286844372 1061131282 /nfs/dbraw/zinc/13/12/82/1061131282.db2.gz BIUJJNDWNZKSSA-GGAORHGYSA-N 1 2 468.646 2.954 20 0 JFADLO CC(=O)N1CC[C@H](CN(C)c2nnc(COc3cccc(C)c3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001286847919 1061162050 /nfs/dbraw/zinc/16/20/50/1061162050.db2.gz CNEUSIBSWDBXJE-JOCHJYFZSA-N 1 2 477.613 2.979 20 0 JFADLO CC(=O)N1CCC[C@H](Cn2c(N3CC[NH+](Cc4cnc(C)s4)CC3)nnc2C(C)(C)C)C1 ZINC001286859958 1061225339 /nfs/dbraw/zinc/22/53/39/1061225339.db2.gz BEBKTGCFDPGBKF-IBGZPJMESA-N 1 2 459.664 2.921 20 0 JFADLO Cc1ccc(-c2nnc(N3CC[NH+]([C@@H](C)C(=O)NC4CC4)CC3)n2CC(F)(F)Br)o1 ZINC001289596225 1061240434 /nfs/dbraw/zinc/24/04/34/1061240434.db2.gz YUJLTLPEKDCZQZ-ZDUSSCGKSA-N 1 2 487.349 2.623 20 0 JFADLO Cc1ccc(-c2nnc(N3CC[NH+](CC(=O)N4CCCC4)CC3)n2CCCCOC(C)C)o1 ZINC001289600155 1061244940 /nfs/dbraw/zinc/24/49/40/1061244940.db2.gz JCDAZMPZAZFZCC-UHFFFAOYSA-N 1 2 458.607 2.796 20 0 JFADLO CC(=O)N1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)[C@@H](C)C1 ZINC001286882169 1061309412 /nfs/dbraw/zinc/30/94/12/1061309412.db2.gz FADPNIASHXWHTM-SFTDATJTSA-N 1 2 498.672 2.932 20 0 JFADLO CC(=O)N1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCOC[C@@H]2C)[C@@H](C)C1 ZINC001286882169 1061309427 /nfs/dbraw/zinc/30/94/27/1061309427.db2.gz FADPNIASHXWHTM-SFTDATJTSA-N 1 2 498.672 2.932 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C)c(C)c3)nnc2N2CCC(F)(F)CC2)CC1 ZINC001286888923 1061344322 /nfs/dbraw/zinc/34/43/22/1061344322.db2.gz CJEKEBFQUAYWII-UHFFFAOYSA-N 1 2 476.572 2.874 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(Cl)cc3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001286889146 1061345820 /nfs/dbraw/zinc/34/58/20/1061345820.db2.gz DUBZRCGQSUAESY-SFHVURJKSA-N 1 2 491.036 2.678 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3cc(C)ccc3C)nnc2N2CCC(C)CC2)CC1 ZINC001286889207 1061346463 /nfs/dbraw/zinc/34/64/63/1061346463.db2.gz GQSHSFIRFFSMBS-UHFFFAOYSA-N 1 2 454.619 2.874 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCSCC2)CC1 ZINC001286889260 1061346997 /nfs/dbraw/zinc/34/69/97/1061346997.db2.gz HPSKCABXDCWVRB-KRWDZBQOSA-N 1 2 479.050 2.789 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3cccnc3)nnc2N(Cc2ccc(F)cc2)C(C)C)CC1 ZINC001286889373 1061347935 /nfs/dbraw/zinc/34/79/35/1061347935.db2.gz DYBFDKMNXLXLMP-UHFFFAOYSA-N 1 2 479.604 2.982 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccc3F)nnc2N2CCS[C@@H](C)[C@H]2C)CC1 ZINC001286889770 1061350107 /nfs/dbraw/zinc/35/01/07/1061350107.db2.gz KJOSOUFWAATGJF-MSOLQXFVSA-N 1 2 460.623 2.502 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccc3F)nnc2N2CCO[C@](C)(C(C)(C)C)C2)CC1 ZINC001286889724 1061350338 /nfs/dbraw/zinc/35/03/38/1061350338.db2.gz JQULYGQJJIKQPC-SANMLTNESA-N 1 2 486.636 2.814 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(-c3ccc(C)o3)nnc2N(C)Cc2cc(Cl)ccn2)CC1 ZINC001286889749 1061350453 /nfs/dbraw/zinc/35/04/53/1061350453.db2.gz LATOCJFDGMRSLI-UHFFFAOYSA-N 1 2 457.966 2.695 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Br)s3)nnc2N2CCSC[C@@H]2C)CC1 ZINC001286889824 1061351330 /nfs/dbraw/zinc/35/13/30/1061351330.db2.gz MQDRAGXDASYCGP-AWEZNQCLSA-N 1 2 499.504 2.875 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(CSc3ccc(Cl)cc3)nnc2Nc2ccn(C)n2)CC1 ZINC001286889861 1061351839 /nfs/dbraw/zinc/35/18/39/1061351839.db2.gz LYGGOQHADLPQGI-UHFFFAOYSA-N 1 2 475.022 2.865 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3cc(C)ccc3C)nnc2N2C[C@H](C)[C@@H](C)C2)CC1 ZINC001286889902 1061352325 /nfs/dbraw/zinc/35/23/25/1061352325.db2.gz MUEQHWDYKSUGEC-SFTDATJTSA-N 1 2 454.619 2.730 20 0 JFADLO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)cc1C ZINC001289740120 1061353711 /nfs/dbraw/zinc/35/37/11/1061353711.db2.gz TWIFTPOAACYECQ-IBGZPJMESA-N 1 2 490.612 2.748 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(CC(C)C)nnc2N(CCc2cccc(F)c2)C2CC2)CC1 ZINC001286890691 1061355962 /nfs/dbraw/zinc/35/59/62/1061355962.db2.gz SJXYICGAAMULGT-UHFFFAOYSA-N 1 2 456.610 2.991 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccncc3)nnc2N(C)CCOc2ccccc2Cl)CC1 ZINC001286891045 1061358085 /nfs/dbraw/zinc/35/80/85/1061358085.db2.gz WSIHCHIPFUMXBW-UHFFFAOYSA-N 1 2 498.031 2.597 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(F)cc3)nnc2N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001286891017 1061358166 /nfs/dbraw/zinc/35/81/66/1061358166.db2.gz YCAFPNOHFABKHN-OALUTQOASA-N 1 2 458.582 2.643 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3cc(C)ccc3C)nnc2N(C)Cc2nccs2)CC1 ZINC001286891035 1061358263 /nfs/dbraw/zinc/35/82/63/1061358263.db2.gz YNDBLVDVYLRXPQ-UHFFFAOYSA-N 1 2 483.642 2.731 20 0 JFADLO Cc1ccc(NC(=O)c2nnc(N3CCOC[C@H]3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1C ZINC001289748117 1061368077 /nfs/dbraw/zinc/36/80/77/1061368077.db2.gz XHELZAPYKBZNSB-IRLDBZIGSA-N 1 2 470.618 2.729 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1C ZINC001289813723 1061467473 /nfs/dbraw/zinc/46/74/73/1061467473.db2.gz JQBNWAIEENBJAH-XZOQPEGZSA-N 1 2 498.672 2.936 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001289822000 1061485838 /nfs/dbraw/zinc/48/58/38/1061485838.db2.gz WTNXMSHDWVOXFZ-UHFFFAOYSA-N 1 2 477.613 2.979 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[N@H+]2CCOC[C@H]2C)cc1C ZINC001289828986 1061505793 /nfs/dbraw/zinc/50/57/93/1061505793.db2.gz RMLWBRJUQFRYQJ-QUCCMNQESA-N 1 2 483.535 2.962 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[N@@H+]2CCOC[C@H]2C)cc1C ZINC001289828986 1061505816 /nfs/dbraw/zinc/50/58/16/1061505816.db2.gz RMLWBRJUQFRYQJ-QUCCMNQESA-N 1 2 483.535 2.962 20 0 JFADLO Cc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCCOc1ccc(C)cc1 ZINC001289840601 1061515509 /nfs/dbraw/zinc/51/55/09/1061515509.db2.gz FOAGRDVWVOCMEV-XMMPIXPASA-N 1 2 456.635 2.595 20 0 JFADLO CCC[C@@H]1CN(c2nnc(COc3ccc(OC)cc3)n2CC[N@@H+]2CCOC[C@H]2C)CCO1 ZINC001294098736 1061578521 /nfs/dbraw/zinc/57/85/21/1061578521.db2.gz JVRVDGRCXVKCQZ-DENIHFKCSA-N 1 2 459.591 2.592 20 0 JFADLO CCC[C@@H]1CN(c2nnc(COc3ccc(OC)cc3)n2CC[N@H+]2CCOC[C@H]2C)CCO1 ZINC001294098736 1061578548 /nfs/dbraw/zinc/57/85/48/1061578548.db2.gz JVRVDGRCXVKCQZ-DENIHFKCSA-N 1 2 459.591 2.592 20 0 JFADLO Cc1cccc([C@H](Cn2c(N3CCC[C@H](C(N)=O)C3)nnc2C(C)(C)C)[NH+]2CCOCC2)c1 ZINC001289894882 1061580953 /nfs/dbraw/zinc/58/09/53/1061580953.db2.gz ZTODIFOQJNNUSB-SFTDATJTSA-N 1 2 454.619 2.659 20 0 JFADLO CCCCCCNC(=O)[C@@H]1CCCN(c2nnc(C)n2Cc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC001294107119 1061590980 /nfs/dbraw/zinc/59/09/80/1061590980.db2.gz DMCGCIIWDUGDKV-JOCHJYFZSA-N 1 2 469.634 2.779 20 0 JFADLO Cc1cccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CC[N@@H+]2CCc3ccccc3C2)n1 ZINC001289909577 1061599836 /nfs/dbraw/zinc/59/98/36/1061599836.db2.gz QVABLVAJHFYPPN-IBGZPJMESA-N 1 2 468.627 2.576 20 0 JFADLO Cc1cccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CC[N@H+]2CCc3ccccc3C2)n1 ZINC001289909577 1061599858 /nfs/dbraw/zinc/59/98/58/1061599858.db2.gz QVABLVAJHFYPPN-IBGZPJMESA-N 1 2 468.627 2.576 20 0 JFADLO Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](c3noc(C(C)C)n3)C2)[nH+]1 ZINC001290001939 1061725827 /nfs/dbraw/zinc/72/58/27/1061725827.db2.gz AHJOMMVEYATVJJ-IBGZPJMESA-N 1 2 482.589 2.837 20 0 JFADLO Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2CCC(C(=O)N3CCCCC3)CC2)[nH+]1 ZINC001290002497 1061727797 /nfs/dbraw/zinc/72/77/97/1061727797.db2.gz HBUSEIVRDHXLIK-UHFFFAOYSA-N 1 2 481.645 2.981 20 0 JFADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2nnc(C(C)(C)C)s2)CC1 ZINC001286970379 1061747650 /nfs/dbraw/zinc/74/76/50/1061747650.db2.gz CIKIRAPSHQXCME-QGZVFWFLSA-N 1 2 488.706 2.906 20 0 JFADLO Cc1nn(C)c(C)c1[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1)C(F)(F)F ZINC001294234823 1061750011 /nfs/dbraw/zinc/75/00/11/1061750011.db2.gz HITAOICXOJYKKZ-FUHWJXTLSA-N 1 2 454.497 2.787 20 0 JFADLO Cc1nn(C)c(C)c1[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1)C(F)(F)F ZINC001294234823 1061750033 /nfs/dbraw/zinc/75/00/33/1061750033.db2.gz HITAOICXOJYKKZ-FUHWJXTLSA-N 1 2 454.497 2.787 20 0 JFADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(C(C)(C)C)n2CCOCC(F)(F)C(F)F)CC1 ZINC001286972295 1061752905 /nfs/dbraw/zinc/75/29/05/1061752905.db2.gz QAYJJQMDMMJLMU-INIZCTEOSA-N 1 2 492.562 2.626 20 0 JFADLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC001290046522 1061765439 /nfs/dbraw/zinc/76/54/39/1061765439.db2.gz SDEANGUHVPATMS-UHFFFAOYSA-N 1 2 456.524 2.954 20 0 JFADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001286974593 1061769993 /nfs/dbraw/zinc/76/99/93/1061769993.db2.gz HNIXURFQQZVNTE-RTBURBONSA-N 1 2 483.642 2.565 20 0 JFADLO Cc1cccc(OCc2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@H](C)[NH+]2CCOCC2)c1 ZINC001290062683 1061785108 /nfs/dbraw/zinc/78/51/08/1061785108.db2.gz DXKYNDSZRRRMPH-NRFANRHFSA-N 1 2 484.645 2.581 20 0 JFADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(F)cc2)n1CC[N@H+]1CC=CCC1 ZINC001286976598 1061785625 /nfs/dbraw/zinc/78/56/25/1061785625.db2.gz JIONEQXJKWQCRE-QZTJIDSGSA-N 1 2 465.595 2.516 20 0 JFADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(F)cc2)n1CC[N@@H+]1CC=CCC1 ZINC001286976598 1061785637 /nfs/dbraw/zinc/78/56/37/1061785637.db2.gz JIONEQXJKWQCRE-QZTJIDSGSA-N 1 2 465.595 2.516 20 0 JFADLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001286977218 1061789840 /nfs/dbraw/zinc/78/98/40/1061789840.db2.gz RCOCIDNSQMWGIL-PMACEKPBSA-N 1 2 497.669 2.955 20 0 JFADLO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCOC3)n2Cc2c[nH+]ccc2OC)C1 ZINC001294329630 1061849444 /nfs/dbraw/zinc/84/94/44/1061849444.db2.gz LNKPSWDEVATCAH-OTWHNJEPSA-N 1 2 456.591 2.755 20 0 JFADLO Cc1ccccc1[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CCO1 ZINC001290145065 1061882875 /nfs/dbraw/zinc/88/28/75/1061882875.db2.gz JVEUNEROIQKUIP-XZOQPEGZSA-N 1 2 484.645 2.659 20 0 JFADLO Cc1ccccc1Cc1nnc(N(C)CC(=O)NC(C)C)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001290148309 1061891628 /nfs/dbraw/zinc/89/16/28/1061891628.db2.gz XNWPLYNERUGNOE-NRFANRHFSA-N 1 2 491.640 2.807 20 0 JFADLO CCCCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2([NH+]3CCOCC3)CC2)CC1 ZINC001294358641 1061929291 /nfs/dbraw/zinc/92/92/91/1061929291.db2.gz KVBNOKMEYYNRDL-UHFFFAOYSA-N 1 2 460.667 2.864 20 0 JFADLO Cc1ccccc1C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)C(C)(C)C)CC1 ZINC001290196937 1061938445 /nfs/dbraw/zinc/93/84/45/1061938445.db2.gz OGMNGDHCMKWPDY-UHFFFAOYSA-N 1 2 485.658 2.523 20 0 JFADLO CC(C)(C)Cc1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1CCCNc1cccc[nH+]1 ZINC001287020713 1061960217 /nfs/dbraw/zinc/96/02/17/1061960217.db2.gz GUCCXKKPVPLKSC-XMMPIXPASA-N 1 2 468.606 2.578 20 0 JFADLO CC(C)(C)Cc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001287030191 1061980141 /nfs/dbraw/zinc/98/01/41/1061980141.db2.gz KZEBCGIXAFRETJ-UHFFFAOYSA-N 1 2 489.621 2.712 20 0 JFADLO CC1=CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCCCC3)[nH+]c2)CC1 ZINC001290251422 1061990085 /nfs/dbraw/zinc/99/00/85/1061990085.db2.gz PZOLTSUYSBBSMC-IBGZPJMESA-N 1 2 473.647 2.868 20 0 JFADLO CCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001294442593 1061993675 /nfs/dbraw/zinc/99/36/75/1061993675.db2.gz PTJUPPUIIUBEKN-SFHVURJKSA-N 1 2 459.595 2.942 20 0 JFADLO Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC001294446122 1061994953 /nfs/dbraw/zinc/99/49/53/1061994953.db2.gz AAWRRAXALWRLIW-NRFANRHFSA-N 1 2 453.539 2.789 20 0 JFADLO COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CC[NH+](Cc4cc(C)ccc4OC)CC3)C2)c1 ZINC001290267128 1061997781 /nfs/dbraw/zinc/99/77/81/1061997781.db2.gz CAWBBXVXXGIUJJ-DEOSSOPVSA-N 1 2 453.539 2.858 20 0 JFADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)CC1 ZINC001290267805 1061998462 /nfs/dbraw/zinc/99/84/62/1061998462.db2.gz SEZXGFNTMKPELT-VWLOTQADSA-N 1 2 456.587 2.539 20 0 JFADLO Cc1cn2c([nH+]1)[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OC(C)(C)C)CC1)CCC2 ZINC001290287883 1062018166 /nfs/dbraw/zinc/01/81/66/1062018166.db2.gz UMCCMARTEZGQNC-QZTJIDSGSA-N 1 2 493.678 2.755 20 0 JFADLO CCCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001294494527 1062033909 /nfs/dbraw/zinc/03/39/09/1062033909.db2.gz XZXBWMXXSNLKRB-UHFFFAOYSA-N 1 2 494.644 2.636 20 0 JFADLO CCCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([NH+]2CCOCC2)CC1 ZINC001294498314 1062035830 /nfs/dbraw/zinc/03/58/30/1062035830.db2.gz SBEJUMDHWHIXGC-LJQANCHMSA-N 1 2 478.638 2.688 20 0 JFADLO CCCN(Cc1ccc(F)cc1F)c1nnc([C@H]2CCOC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001294537901 1062070459 /nfs/dbraw/zinc/07/04/59/1062070459.db2.gz LJSDWTORDHNYAX-FQEVSTJZSA-N 1 2 476.572 2.641 20 0 JFADLO CCCN(CC1CC1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001294548775 1062074511 /nfs/dbraw/zinc/07/45/11/1062074511.db2.gz SMQMHXLFXBBNGO-TZIWHRDSSA-N 1 2 492.665 2.934 20 0 JFADLO CCCN(CC1CC1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001294548775 1062074534 /nfs/dbraw/zinc/07/45/34/1062074534.db2.gz SMQMHXLFXBBNGO-TZIWHRDSSA-N 1 2 492.665 2.934 20 0 JFADLO Cc1nc(C)c(Cn2c(COc3ccc(F)cc3)nnc2N(C)CC[NH+]2CCOCC2)s1 ZINC001290378615 1062081049 /nfs/dbraw/zinc/08/10/49/1062081049.db2.gz QKUGADXMYINZBF-UHFFFAOYSA-N 1 2 460.579 2.886 20 0 JFADLO Cc1nc(Cc2nnc(N(C)CC[NH+]3CCOCC3)n2CCOc2cccc(F)c2)cs1 ZINC001290400559 1062101982 /nfs/dbraw/zinc/10/19/82/1062101982.db2.gz GJASJCHEDAXEJP-UHFFFAOYSA-N 1 2 460.579 2.620 20 0 JFADLO Cc1nc(Cc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)cs1 ZINC001290425524 1062174123 /nfs/dbraw/zinc/17/41/23/1062174123.db2.gz YWPUUPPFRAZSGK-DNVCBOLYSA-N 1 2 489.596 2.917 20 0 JFADLO Cc1nc(Cc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CCCNc2cccc[nH+]2)cs1 ZINC001290426475 1062178554 /nfs/dbraw/zinc/17/85/54/1062178554.db2.gz XEMQIRQUIPJESF-SFHVURJKSA-N 1 2 475.644 2.544 20 0 JFADLO CC(C)(C)S(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001287082477 1062240678 /nfs/dbraw/zinc/24/06/78/1062240678.db2.gz HDFMQGLCFXQALZ-UHFFFAOYSA-N 1 2 482.654 2.918 20 0 JFADLO Cc1cccc2c1C[C@H](C(=O)N1CC[C@@H](OCC[NH+]3CCOCC3)C1)N2C(=O)OC(C)(C)C ZINC001294691667 1062250703 /nfs/dbraw/zinc/25/07/03/1062250703.db2.gz YHIMFLNXXIKTMO-DENIHFKCSA-N 1 2 459.587 2.611 20 0 JFADLO CC(C)(C)S(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001287085435 1062258456 /nfs/dbraw/zinc/25/84/56/1062258456.db2.gz ZTFHHUAFKMCQFG-UHFFFAOYSA-N 1 2 474.656 2.865 20 0 JFADLO CC(C)(C)[S@@](=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001287086349 1062262660 /nfs/dbraw/zinc/26/26/60/1062262660.db2.gz JJJPDURFIACLQP-RQZFFVEVSA-N 1 2 465.689 2.636 20 0 JFADLO CC(C)(C)[S@@](=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001287089143 1062274992 /nfs/dbraw/zinc/27/49/92/1062274992.db2.gz QMAXRJMLKUAHIC-PAOLZVMYSA-N 1 2 467.680 2.616 20 0 JFADLO CC(C)(C)[S@](=O)CCn1c(CC2CCCC2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001287089783 1062279105 /nfs/dbraw/zinc/27/91/05/1062279105.db2.gz TXYQNUGWPQXFQN-UUWRZZSWSA-N 1 2 492.734 2.693 20 0 JFADLO CC(C)(C)[S@](=O)CCn1c(CC2CCCC2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001287089783 1062279124 /nfs/dbraw/zinc/27/91/24/1062279124.db2.gz TXYQNUGWPQXFQN-UUWRZZSWSA-N 1 2 492.734 2.693 20 0 JFADLO Cc1cccc(O[C@@H](C)c2nnc(N3CCN(c4cc[nH+]c(C)n4)CC3)n2CC(=O)NC(C)C)c1C ZINC001290496116 1062284655 /nfs/dbraw/zinc/28/46/55/1062284655.db2.gz FYOBEFPCBSPXES-FQEVSTJZSA-N 1 2 492.628 2.985 20 0 JFADLO Cc1ncc(C[NH+]2CCN(c3nnc(CC(C)C)n3CC(=O)NCCc3ccccc3)CC2)s1 ZINC001290496377 1062285581 /nfs/dbraw/zinc/28/55/81/1062285581.db2.gz KZQRJZODVBUJBS-UHFFFAOYSA-N 1 2 481.670 2.923 20 0 JFADLO Cc1nc(N2CCN(c3nnc(C(=O)NCc4ccc(Cl)cc4)n3CC(C)C)CC2)cc[nH+]1 ZINC001290496577 1062286136 /nfs/dbraw/zinc/28/61/36/1062286136.db2.gz OISWYAIMISTVBG-UHFFFAOYSA-N 1 2 468.993 2.943 20 0 JFADLO Cc1ncc(CN2CCN(c3nnc(CC(C)(C)C)n3C[C@H](C)[NH+]3CCOCC3)CC2)s1 ZINC001290496753 1062286866 /nfs/dbraw/zinc/28/68/66/1062286866.db2.gz RUXZWOGGDNZEJA-SFHVURJKSA-N 1 2 461.680 2.675 20 0 JFADLO CC(C)(Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC001287092950 1062290467 /nfs/dbraw/zinc/29/04/67/1062290467.db2.gz FQUKOJVYRSSCGM-INIZCTEOSA-N 1 2 479.050 2.646 20 0 JFADLO Cc1nc(N2CCN(c3nnc([C@@H]4CCCCO4)n3CCOCC(F)(F)C(F)F)CC2)cc[nH+]1 ZINC001290500661 1062291889 /nfs/dbraw/zinc/29/18/89/1062291889.db2.gz DGJLSDBFLIBADB-INIZCTEOSA-N 1 2 487.502 2.862 20 0 JFADLO Cc1nc(N2CCN(c3nnc([C@H]4CCCCO4)n3CCOCC(F)(F)C(F)F)CC2)cc[nH+]1 ZINC001290500667 1062291993 /nfs/dbraw/zinc/29/19/93/1062291993.db2.gz DGJLSDBFLIBADB-MRXNPFEDSA-N 1 2 487.502 2.862 20 0 JFADLO CCCN1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCOC[C@H]2C)CC1=O ZINC001294723650 1062302450 /nfs/dbraw/zinc/30/24/50/1062302450.db2.gz ZTIBLVJEGHKLJB-UXHICEINSA-N 1 2 488.608 2.727 20 0 JFADLO CCCN1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@H+]2CCOC[C@H]2C)CC1=O ZINC001294723650 1062302474 /nfs/dbraw/zinc/30/24/74/1062302474.db2.gz ZTIBLVJEGHKLJB-UXHICEINSA-N 1 2 488.608 2.727 20 0 JFADLO CCCN1CCCN(c2nnc(COCC)n2C[C@H](c2cccc(C)c2)[NH+]2CCOCC2)CC1=O ZINC001294743488 1062331863 /nfs/dbraw/zinc/33/18/63/1062331863.db2.gz PNOQJMIXXRJBNY-HSZRJFAPSA-N 1 2 484.645 2.645 20 0 JFADLO CCc1ccc(C(=O)N2CCN(C(=O)[C@@H](C)[NH+]3CCN(c4ccc(F)cc4)CC3)CC2)cc1 ZINC001290553184 1062355661 /nfs/dbraw/zinc/35/56/61/1062355661.db2.gz ILGHVWLUGCIXSZ-HXUWFJFHSA-N 1 2 452.574 2.883 20 0 JFADLO CC(C)C(=O)N[C@H]1CCCN(c2nnc(CCCc3ccccc3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001287119394 1062358962 /nfs/dbraw/zinc/35/89/62/1062358962.db2.gz JOALAFNKLGIIAL-VWNXMTODSA-N 1 2 482.673 2.915 20 0 JFADLO CC(C)(C)OC(=O)NCc1nc2ccccc2n1CC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001290561793 1062362150 /nfs/dbraw/zinc/36/21/50/1062362150.db2.gz GEMJEWRDZDVLHC-UHFFFAOYSA-N 1 2 452.559 2.953 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@H](c2ccsc2)[NH+](C)C)n1 ZINC001290586343 1062396351 /nfs/dbraw/zinc/39/63/51/1062396351.db2.gz KPPSDLUTHGSNDK-WSTZPKSXSA-N 1 2 493.703 2.762 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N(C)CCC3CCOCC3)n2Cc2ccc(N(C)C)[nH+]c2)n1 ZINC001290605956 1062444012 /nfs/dbraw/zinc/44/40/12/1062444012.db2.gz SBHPTLSGYXYNRQ-UHFFFAOYSA-N 1 2 452.607 2.902 20 0 JFADLO CC(C)C(=O)NCCN(C)c1nnc(Cc2ccncc2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001287134160 1062449833 /nfs/dbraw/zinc/44/98/33/1062449833.db2.gz ZHOLLJOCVLYXDG-UHFFFAOYSA-N 1 2 458.570 2.706 20 0 JFADLO CCCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc[nH+]c2N2CCOCC2)CC1 ZINC001294817461 1062496381 /nfs/dbraw/zinc/49/63/81/1062496381.db2.gz WKLBKKLDBAVHSQ-UHFFFAOYSA-N 1 2 469.634 2.598 20 0 JFADLO CC(C)[C@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001287153183 1062530878 /nfs/dbraw/zinc/53/08/78/1062530878.db2.gz KSBUMYLYZQBDMI-XMMPIXPASA-N 1 2 483.642 2.700 20 0 JFADLO CCCNC(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001294846512 1062542294 /nfs/dbraw/zinc/54/22/94/1062542294.db2.gz RBBKLNJQQOFZFR-UHFFFAOYSA-N 1 2 462.602 2.849 20 0 JFADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC001290667822 1062578485 /nfs/dbraw/zinc/57/84/85/1062578485.db2.gz UHJSAGPRKFKTAV-RTWAWAEBSA-N 1 2 454.575 2.686 20 0 JFADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC001290667822 1062578503 /nfs/dbraw/zinc/57/85/03/1062578503.db2.gz UHJSAGPRKFKTAV-RTWAWAEBSA-N 1 2 454.575 2.686 20 0 JFADLO CC(C)c1nc([C@H]2CN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCOC[C@H]3C)CCO2)no1 ZINC001287171410 1062587998 /nfs/dbraw/zinc/58/79/98/1062587998.db2.gz WWWPGBROTNAZKQ-QZTJIDSGSA-N 1 2 461.611 2.672 20 0 JFADLO CC(C)c1nc([C@H]2CN(c3nnc(CC(C)(C)C)n3CC[N@H+]3CCOC[C@H]3C)CCO2)no1 ZINC001287171410 1062588022 /nfs/dbraw/zinc/58/80/22/1062588022.db2.gz WWWPGBROTNAZKQ-QZTJIDSGSA-N 1 2 461.611 2.672 20 0 JFADLO CC(C)c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001287179369 1062603369 /nfs/dbraw/zinc/60/33/69/1062603369.db2.gz QFLKHKOXZPZMAR-UHFFFAOYSA-N 1 2 475.663 2.695 20 0 JFADLO CC(C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCOc1ccc(F)c(F)c1 ZINC001287222748 1062709520 /nfs/dbraw/zinc/70/95/20/1062709520.db2.gz JDJRMIWIHARZCA-OAQYLSRUSA-N 1 2 492.615 2.990 20 0 JFADLO CC(C)c1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001287224173 1062711883 /nfs/dbraw/zinc/71/18/83/1062711883.db2.gz UCGYAXVGAZOHCT-UHFFFAOYSA-N 1 2 495.612 2.850 20 0 JFADLO CC(C)c1nnc(N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001287230519 1062718861 /nfs/dbraw/zinc/71/88/61/1062718861.db2.gz BOUNZYJPEWVRLH-YZGWKJHDSA-N 1 2 462.639 2.862 20 0 JFADLO CC(C)c1nnc(N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001287230519 1062718880 /nfs/dbraw/zinc/71/88/80/1062718880.db2.gz BOUNZYJPEWVRLH-YZGWKJHDSA-N 1 2 462.639 2.862 20 0 JFADLO C[C@@H]1CCN(C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)C[C@@H]1n1cc[nH+]c1 ZINC001294952132 1062738060 /nfs/dbraw/zinc/73/80/60/1062738060.db2.gz AIYIZTZKNYZANZ-BEFAXECRSA-N 1 2 458.360 2.826 20 0 JFADLO Cc1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001290858972 1062742887 /nfs/dbraw/zinc/74/28/87/1062742887.db2.gz YDLWVHHQWIFUDA-PXNSSMCTSA-N 1 2 452.525 2.733 20 0 JFADLO CCCO[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)CC1 ZINC001294986622 1062774701 /nfs/dbraw/zinc/77/47/01/1062774701.db2.gz IAVVIEXOUWNRFZ-VQTJNVASSA-N 1 2 499.664 2.703 20 0 JFADLO CCCO[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2c2cc(NC)nc[nH+]2)CC1 ZINC001294986622 1062774719 /nfs/dbraw/zinc/77/47/19/1062774719.db2.gz IAVVIEXOUWNRFZ-VQTJNVASSA-N 1 2 499.664 2.703 20 0 JFADLO CC(C)Cc1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1C[C@@]1(C)CN(C)C1=O ZINC001287359098 1062827953 /nfs/dbraw/zinc/82/79/53/1062827953.db2.gz DHOYQHRETQHKFD-WZONZLPQSA-N 1 2 460.648 2.526 20 0 JFADLO CCC[C@@H]1C[C@H]1n1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001295031702 1062833691 /nfs/dbraw/zinc/83/36/91/1062833691.db2.gz UPFTXQLBNWQNLF-AQNXPRMDSA-N 1 2 478.638 2.716 20 0 JFADLO CC(C)Cc1nnc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001287395288 1062840483 /nfs/dbraw/zinc/84/04/83/1062840483.db2.gz AKEUOWGYZYGHML-SFTDATJTSA-N 1 2 460.667 2.672 20 0 JFADLO CC(C)Cc1nnc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001287395288 1062840503 /nfs/dbraw/zinc/84/05/03/1062840503.db2.gz AKEUOWGYZYGHML-SFTDATJTSA-N 1 2 460.667 2.672 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc(-c4cccc(Cl)c4)n3CCC(=O)N(C)C)CC2)on1 ZINC001290969881 1062843401 /nfs/dbraw/zinc/84/34/01/1062843401.db2.gz MHGMRSYZCVNDQM-UHFFFAOYSA-N 1 2 457.966 2.695 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc(-c4cccc(Cl)c4)n3CC(=O)NCC(F)(F)F)CC2)on1 ZINC001290970797 1062846253 /nfs/dbraw/zinc/84/62/53/1062846253.db2.gz VNKGFKXNVSOSNZ-UHFFFAOYSA-N 1 2 497.909 2.896 20 0 JFADLO CC(C)Cc1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001287426094 1062864234 /nfs/dbraw/zinc/86/42/34/1062864234.db2.gz SOMWJPOAIAWPDZ-KRWDZBQOSA-N 1 2 464.014 2.689 20 0 JFADLO CC(C)Cc1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001287426094 1062864256 /nfs/dbraw/zinc/86/42/56/1062864256.db2.gz SOMWJPOAIAWPDZ-KRWDZBQOSA-N 1 2 464.014 2.689 20 0 JFADLO CC(C)Cc1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001287426095 1062864327 /nfs/dbraw/zinc/86/43/27/1062864327.db2.gz SOMWJPOAIAWPDZ-QGZVFWFLSA-N 1 2 464.014 2.689 20 0 JFADLO CC(C)Cc1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001287426095 1062864349 /nfs/dbraw/zinc/86/43/49/1062864349.db2.gz SOMWJPOAIAWPDZ-QGZVFWFLSA-N 1 2 464.014 2.689 20 0 JFADLO CCN(C)C(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001295058376 1062867458 /nfs/dbraw/zinc/86/74/58/1062867458.db2.gz RYPQTOKZQAXGPK-UHFFFAOYSA-N 1 2 484.402 2.908 20 0 JFADLO CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001287442371 1062875837 /nfs/dbraw/zinc/87/58/37/1062875837.db2.gz HXRKDNBQHQCLHL-PMACEKPBSA-N 1 2 464.655 2.938 20 0 JFADLO CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001287442371 1062875851 /nfs/dbraw/zinc/87/58/51/1062875851.db2.gz HXRKDNBQHQCLHL-PMACEKPBSA-N 1 2 464.655 2.938 20 0 JFADLO CCN(C)C(=O)Cn1c(-c2cccn2C)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001295065254 1062882194 /nfs/dbraw/zinc/88/21/94/1062882194.db2.gz CXRRXDAGXPDVRI-UHFFFAOYSA-N 1 2 486.020 2.616 20 0 JFADLO CC(C)Cc1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001287464660 1062909534 /nfs/dbraw/zinc/90/95/34/1062909534.db2.gz ROGXCNXQXQINIG-OAQYLSRUSA-N 1 2 460.667 2.816 20 0 JFADLO CC(C)Cc1nnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1CCCNc1cccc[nH+]1 ZINC001287465333 1062911638 /nfs/dbraw/zinc/91/16/38/1062911638.db2.gz KXBZBHWZJDUBBY-OAQYLSRUSA-N 1 2 468.650 2.507 20 0 JFADLO CC(C)Cc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1Cc1cccc(F)c1 ZINC001287481545 1062937119 /nfs/dbraw/zinc/93/71/19/1062937119.db2.gz FNTAGTZBMWZAOS-HSZRJFAPSA-N 1 2 458.626 2.895 20 0 JFADLO CC(C)Cc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CC1(C)CCOCC1 ZINC001287482431 1062938911 /nfs/dbraw/zinc/93/89/11/1062938911.db2.gz UAORVMJMNPWADL-JOCHJYFZSA-N 1 2 462.683 2.525 20 0 JFADLO CC(C)NC(=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001291041885 1062970228 /nfs/dbraw/zinc/97/02/28/1062970228.db2.gz HOFGVJZIFGVDCG-RZUBCFFCSA-N 1 2 454.619 2.942 20 0 JFADLO CC(C)NC(=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001291041885 1062970254 /nfs/dbraw/zinc/97/02/54/1062970254.db2.gz HOFGVJZIFGVDCG-RZUBCFFCSA-N 1 2 454.619 2.942 20 0 JFADLO CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 ZINC001295180695 1063003604 /nfs/dbraw/zinc/00/36/04/1063003604.db2.gz ZYRNTOHXAPHGHY-SFTDATJTSA-N 1 2 475.659 2.624 20 0 JFADLO CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 ZINC001295180695 1063003626 /nfs/dbraw/zinc/00/36/26/1063003626.db2.gz ZYRNTOHXAPHGHY-SFTDATJTSA-N 1 2 475.659 2.624 20 0 JFADLO CCN(c1nnc(-c2cccn2C)n1C[C@H](c1ccsc1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295185442 1063008601 /nfs/dbraw/zinc/00/86/01/1063008601.db2.gz UJGMEIUHRGFDLV-IEBWSBKVSA-N 1 2 462.645 2.661 20 0 JFADLO CC(C)CCOC1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001287638633 1063017155 /nfs/dbraw/zinc/01/71/55/1063017155.db2.gz GOLVLXGPSWBQFI-UHFFFAOYSA-N 1 2 464.655 2.559 20 0 JFADLO CC(C)NC(=O)c1nnc(N2CCCC[C@@H](C)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001291090510 1063049443 /nfs/dbraw/zinc/04/94/43/1063049443.db2.gz XNMBMAIJCGXJSU-IFMALSPDSA-N 1 2 454.619 2.944 20 0 JFADLO CC(C)NC(=O)c1nnc(N2CCCC[C@@H](C)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001291090510 1063049464 /nfs/dbraw/zinc/04/94/64/1063049464.db2.gz XNMBMAIJCGXJSU-IFMALSPDSA-N 1 2 454.619 2.944 20 0 JFADLO CC(C)NC(=O)c1nnc(N2CCCC[C@H](C)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001291090512 1063050130 /nfs/dbraw/zinc/05/01/30/1063050130.db2.gz XNMBMAIJCGXJSU-RBBKRZOGSA-N 1 2 454.619 2.944 20 0 JFADLO CC(C)NC(=O)c1nnc(N2CCCC[C@H](C)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001291090512 1063050149 /nfs/dbraw/zinc/05/01/49/1063050149.db2.gz XNMBMAIJCGXJSU-RBBKRZOGSA-N 1 2 454.619 2.944 20 0 JFADLO C[C@@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC001291093655 1063051698 /nfs/dbraw/zinc/05/16/98/1063051698.db2.gz BWBAZTXRXOKRSP-QHAWAJNXSA-N 1 2 492.665 2.934 20 0 JFADLO CC(C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C)CC1)[NH+]1CCOCC1 ZINC001291109638 1063105284 /nfs/dbraw/zinc/10/52/84/1063105284.db2.gz PEOSZKVQQXGUQG-VQTJNVASSA-N 1 2 455.607 2.909 20 0 JFADLO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(C)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001295292117 1063137932 /nfs/dbraw/zinc/13/79/32/1063137932.db2.gz JRTNTCKIWATONV-LEWJYISDSA-N 1 2 450.591 2.956 20 0 JFADLO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(C)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001295292117 1063137941 /nfs/dbraw/zinc/13/79/41/1063137941.db2.gz JRTNTCKIWATONV-LEWJYISDSA-N 1 2 450.591 2.956 20 0 JFADLO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(C)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001295292119 1063137990 /nfs/dbraw/zinc/13/79/90/1063137990.db2.gz JRTNTCKIWATONV-RTWAWAEBSA-N 1 2 450.591 2.956 20 0 JFADLO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(C)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001295292119 1063138003 /nfs/dbraw/zinc/13/80/03/1063138003.db2.gz JRTNTCKIWATONV-RTWAWAEBSA-N 1 2 450.591 2.956 20 0 JFADLO CC1CCN(c2ccc(Cn3c(CC4CCCC4)nnc3N(C)CCNS(C)(=O)=O)c[nH+]2)CC1 ZINC001291146004 1063230496 /nfs/dbraw/zinc/23/04/96/1063230496.db2.gz UWESIQQUDYDWMT-UHFFFAOYSA-N 1 2 489.690 2.676 20 0 JFADLO CCN(CC)C(=O)CN1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC001295335412 1063252225 /nfs/dbraw/zinc/25/22/25/1063252225.db2.gz XBYIEYLNQHDZSF-UHFFFAOYSA-N 1 2 492.672 2.859 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)SC)CC1 ZINC001295335626 1063253697 /nfs/dbraw/zinc/25/36/97/1063253697.db2.gz CZQVWDJWAALVIB-MRXNPFEDSA-N 1 2 466.055 2.735 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)COC)CC1 ZINC001295336184 1063256574 /nfs/dbraw/zinc/25/65/74/1063256574.db2.gz NTAYKMGOQSCCBM-SFHVURJKSA-N 1 2 463.026 2.871 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc4cccnc43)n2C[C@H](C)OC)CC1 ZINC001295336245 1063257453 /nfs/dbraw/zinc/25/74/53/1063257453.db2.gz OGYSFYKGPCLLHF-IBGZPJMESA-N 1 2 465.602 2.519 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3OC)n2CCc2ccccn2)CC1 ZINC001295336351 1063257883 /nfs/dbraw/zinc/25/78/83/1063257883.db2.gz PEJZABZKRZFMKF-UHFFFAOYSA-N 1 2 477.613 2.582 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(C)(C)SC)CC1 ZINC001295336651 1063259493 /nfs/dbraw/zinc/25/94/93/1063259493.db2.gz USZQKUASEVNAEW-UHFFFAOYSA-N 1 2 488.658 2.806 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(COC)c2)CC1 ZINC001295337965 1063265024 /nfs/dbraw/zinc/26/50/24/1063265024.db2.gz LCURFYDOFKXAFF-UHFFFAOYSA-N 1 2 491.640 2.834 20 0 JFADLO C[C@H]1C[NH+](C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCCS(C)(=O)=O)C[C@H](C)O1 ZINC001291186158 1063289239 /nfs/dbraw/zinc/28/92/39/1063289239.db2.gz AQKWVZMABSZQTP-IRXDYDNUSA-N 1 2 499.081 2.752 20 0 JFADLO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3cccc(Cl)c3)nnc2N(C)CCS(C)(=O)=O)C[C@H](C)O1 ZINC001291186373 1063290510 /nfs/dbraw/zinc/29/05/10/1063290510.db2.gz DMRQOJBCFQLPRQ-CALCHBBNSA-N 1 2 484.066 2.967 20 0 JFADLO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3cccc(Cl)c3)nnc2N(C)CCS(C)(=O)=O)C[C@H](C)O1 ZINC001291186373 1063290531 /nfs/dbraw/zinc/29/05/31/1063290531.db2.gz DMRQOJBCFQLPRQ-CALCHBBNSA-N 1 2 484.066 2.967 20 0 JFADLO C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001291194680 1063328460 /nfs/dbraw/zinc/32/84/60/1063328460.db2.gz BRKWORNWUJWIMG-SJORKVTESA-N 1 2 484.004 2.967 20 0 JFADLO CC(C)C(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)CC1 ZINC001291195638 1063334547 /nfs/dbraw/zinc/33/45/47/1063334547.db2.gz VSDGWRATCNEJMV-IBGZPJMESA-N 1 2 469.634 2.549 20 0 JFADLO C[C@@H]1CN(c2ccc(Cn3c(N4CCCC[C@@H](S(C)(=O)=O)C4)nnc3C(C)(C)C)c[nH+]2)CCO1 ZINC001291195624 1063334778 /nfs/dbraw/zinc/33/47/78/1063334778.db2.gz VOSFOWYTQCNSDB-UYAOXDASSA-N 1 2 490.674 2.648 20 0 JFADLO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1CCc1cn2ccccc2[nH+]1 ZINC001291207561 1063376244 /nfs/dbraw/zinc/37/62/44/1063376244.db2.gz LYOJOOFLTVXNAT-SJORKVTESA-N 1 2 459.620 2.651 20 0 JFADLO CCN(CC)c1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCCO[C@H](C)C2)c[nH+]1 ZINC001295409575 1063403967 /nfs/dbraw/zinc/40/39/67/1063403967.db2.gz FGXIGOPXMNLCMU-GOSISDBHSA-N 1 2 464.574 2.830 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C)CC2)c[nH+]1 ZINC001295410966 1063406883 /nfs/dbraw/zinc/40/68/83/1063406883.db2.gz PMSWZVSWQVOLEI-ZWKOTPCHSA-N 1 2 463.652 2.804 20 0 JFADLO CCN(CC)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(C)(c3nc(C)no3)CC2)c[nH+]1 ZINC001295411463 1063407717 /nfs/dbraw/zinc/40/77/17/1063407717.db2.gz TYBAPFCSKIYALH-UHFFFAOYSA-N 1 2 495.632 2.955 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CCC(NC(=O)COC)CC2)c[nH+]1 ZINC001295412626 1063411318 /nfs/dbraw/zinc/41/13/18/1063411318.db2.gz CGQYVCGTRIIVKS-UHFFFAOYSA-N 1 2 481.601 2.867 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)c[nH+]1 ZINC001295412657 1063411336 /nfs/dbraw/zinc/41/13/36/1063411336.db2.gz DUCDSBAGACYECK-AREMUKBSSA-N 1 2 493.612 2.954 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3ccc(OC)cc3)nnc2N(C)CC(=O)N2CCOCC2)c[nH+]1 ZINC001295412910 1063411403 /nfs/dbraw/zinc/41/14/03/1063411403.db2.gz IGFAYGLTZXCJKU-UHFFFAOYSA-N 1 2 493.612 2.538 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3ccc(OC)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)c[nH+]1 ZINC001295413495 1063412459 /nfs/dbraw/zinc/41/24/59/1063412459.db2.gz PMNSVBAFQZZGAD-RUZDIDTESA-N 1 2 463.586 2.945 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@@H](C)CC(N)=O)c[nH+]1 ZINC001295413775 1063414496 /nfs/dbraw/zinc/41/44/96/1063414496.db2.gz RKRYTVSNSNGEAE-HNNXBMFYSA-N 1 2 456.982 2.983 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3ccccc3OC)nnc2N2CC[C@H](S(C)(=O)=O)C2)c[nH+]1 ZINC001295414284 1063416804 /nfs/dbraw/zinc/41/68/04/1063416804.db2.gz YIDBEJPTOSVLGU-IBGZPJMESA-N 1 2 484.626 2.867 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC(CNC(C)=O)CC2)c[nH+]1 ZINC001295415343 1063419263 /nfs/dbraw/zinc/41/92/63/1063419263.db2.gz PWDOUJZSCQJZDA-UHFFFAOYSA-N 1 2 450.591 2.915 20 0 JFADLO CCN(CC)c1ccc(Cn2c(COc3ccc(OC)cc3)nnc2N2CC(=O)N(C)[C@H](C)C2)c[nH+]1 ZINC001295417972 1063422510 /nfs/dbraw/zinc/42/25/10/1063422510.db2.gz BBGLVIBJLYWLKM-LJQANCHMSA-N 1 2 493.612 2.822 20 0 JFADLO CCN(CC)c1ccc(Cn2c(CCOc3ccccc3)nnc2N2CCNC(=O)CC2)c[nH+]1 ZINC001295418578 1063426039 /nfs/dbraw/zinc/42/60/39/1063426039.db2.gz HUIJMOGZPYJFQP-UHFFFAOYSA-N 1 2 463.586 2.515 20 0 JFADLO CCN(CC)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCOC(C)(C)[C@H]2C)c[nH+]1 ZINC001295419048 1063427246 /nfs/dbraw/zinc/42/72/46/1063427246.db2.gz MEISSGHMNHUHLF-GOSISDBHSA-N 1 2 455.607 2.694 20 0 JFADLO CCN(CC)c1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)CC2CCOCC2)c[nH+]1 ZINC001295419364 1063428361 /nfs/dbraw/zinc/42/83/61/1063428361.db2.gz ODCLVTZVEQTGMT-UHFFFAOYSA-N 1 2 455.607 2.553 20 0 JFADLO CCN(CC)c1ccc(Cn2c(CCc3ccccc3)nnc2N2CCS(=O)CC2)c[nH+]1 ZINC001295420065 1063431626 /nfs/dbraw/zinc/43/16/26/1063431626.db2.gz WADYMNOZVLXAMW-UHFFFAOYSA-N 1 2 452.628 2.922 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCOC(C)(C)C2)c[nH+]1 ZINC001295421548 1063436752 /nfs/dbraw/zinc/43/67/52/1063436752.db2.gz VQPMMIHDLSGTHT-FPOVZHCZSA-N 1 2 458.607 2.907 20 0 JFADLO CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001295431099 1063441346 /nfs/dbraw/zinc/44/13/46/1063441346.db2.gz XOWSMSANVCUVHO-SFHVURJKSA-N 1 2 484.630 2.696 20 0 JFADLO CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001295431099 1063441354 /nfs/dbraw/zinc/44/13/54/1063441354.db2.gz XOWSMSANVCUVHO-SFHVURJKSA-N 1 2 484.630 2.696 20 0 JFADLO CC[N@H+](CC(=O)N1CCN(CC(=O)Nc2ccccc2OC)CC1)Cc1ccccc1Cl ZINC001295442229 1063447785 /nfs/dbraw/zinc/44/77/85/1063447785.db2.gz AEPJTYJJZLKUNJ-UHFFFAOYSA-N 1 2 458.990 2.953 20 0 JFADLO CC[N@@H+](CC(=O)N1CCN(CC(=O)Nc2ccccc2OC)CC1)Cc1ccccc1Cl ZINC001295442229 1063447791 /nfs/dbraw/zinc/44/77/91/1063447791.db2.gz AEPJTYJJZLKUNJ-UHFFFAOYSA-N 1 2 458.990 2.953 20 0 JFADLO C[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001291246418 1063519023 /nfs/dbraw/zinc/51/90/23/1063519023.db2.gz PONBXPKQOVCQCX-FYQPLNBISA-N 1 2 478.638 2.590 20 0 JFADLO C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC(=O)N1C ZINC001291246485 1063519814 /nfs/dbraw/zinc/51/98/14/1063519814.db2.gz QIDJSTUSHHMGIL-AYOQOUSVSA-N 1 2 462.545 2.768 20 0 JFADLO C[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC(=O)N1C ZINC001291263888 1063563035 /nfs/dbraw/zinc/56/30/35/1063563035.db2.gz SMDAGPILGITCEB-UZLBHIALSA-N 1 2 469.540 2.512 20 0 JFADLO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CCS1 ZINC001291276749 1063587441 /nfs/dbraw/zinc/58/74/41/1063587441.db2.gz RDRYNUBPTSIGCW-CRAIPNDOSA-N 1 2 464.586 2.923 20 0 JFADLO CCN(Cc1ccc(OC)cc1OC)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001295605683 1063652233 /nfs/dbraw/zinc/65/22/33/1063652233.db2.gz PUUUWRCNVIKYJR-PZJWPPBQSA-N 1 2 473.618 2.937 20 0 JFADLO CCN(Cc1ccc(OC)cc1OC)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001295605684 1063652276 /nfs/dbraw/zinc/65/22/76/1063652276.db2.gz PUUUWRCNVIKYJR-TZIWHRDSSA-N 1 2 473.618 2.937 20 0 JFADLO C[C@@H]1C[N@@H+](CCCn2c(-c3ccccc3F)nnc2N(CCS(C)(=O)=O)C2CC2)C[C@H](C)O1 ZINC001291289378 1063655727 /nfs/dbraw/zinc/65/57/27/1063655727.db2.gz IUXCOPHKAVERSY-HDICACEKSA-N 1 2 479.622 2.597 20 0 JFADLO C[C@@H]1C[N@H+](CCCn2c(-c3ccccc3F)nnc2N(CCS(C)(=O)=O)C2CC2)C[C@H](C)O1 ZINC001291289378 1063655731 /nfs/dbraw/zinc/65/57/31/1063655731.db2.gz IUXCOPHKAVERSY-HDICACEKSA-N 1 2 479.622 2.597 20 0 JFADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291293222 1063683713 /nfs/dbraw/zinc/68/37/13/1063683713.db2.gz QXYZGZLSKPOOIB-HCXYKTFWSA-N 1 2 483.704 2.688 20 0 JFADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291293222 1063683723 /nfs/dbraw/zinc/68/37/23/1063683723.db2.gz QXYZGZLSKPOOIB-HCXYKTFWSA-N 1 2 483.704 2.688 20 0 JFADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291295394 1063694890 /nfs/dbraw/zinc/69/48/90/1063694890.db2.gz YNNFEBKEZFWYQN-WRTQPQOASA-N 1 2 499.722 2.565 20 0 JFADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291295394 1063694897 /nfs/dbraw/zinc/69/48/97/1063694897.db2.gz YNNFEBKEZFWYQN-WRTQPQOASA-N 1 2 499.722 2.565 20 0 JFADLO CCN(Cc1c[nH]c2ccccc12)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c[nH+]ccc1OC ZINC001295670419 1063710701 /nfs/dbraw/zinc/71/07/01/1063710701.db2.gz PDFSOWXLYSOKQY-MRXNPFEDSA-N 1 2 483.598 2.848 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(Cc2ccccn2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001291308476 1063728621 /nfs/dbraw/zinc/72/86/21/1063728621.db2.gz NWPDDXLURZIZNE-JTSKRJEESA-N 1 2 482.551 2.514 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(Cc2ccccn2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001291308476 1063728639 /nfs/dbraw/zinc/72/86/39/1063728639.db2.gz NWPDDXLURZIZNE-JTSKRJEESA-N 1 2 482.551 2.514 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(Cc2ccccc2F)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001291308571 1063730340 /nfs/dbraw/zinc/73/03/40/1063730340.db2.gz PIBRFDACUISLDB-AZUAARDMSA-N 1 2 488.608 2.832 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(Cc2ccccc2F)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001291308571 1063730351 /nfs/dbraw/zinc/73/03/51/1063730351.db2.gz PIBRFDACUISLDB-AZUAARDMSA-N 1 2 488.608 2.832 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(COc2ccc(F)cc2)nnc1N(C)CCc1nccs1 ZINC001291309252 1063733389 /nfs/dbraw/zinc/73/33/89/1063733389.db2.gz CAGHRJDGAZUTCZ-QGZVFWFLSA-N 1 2 460.579 2.852 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(COc2ccc(F)cc2)nnc1N(C)CCc1nccs1 ZINC001291309252 1063733404 /nfs/dbraw/zinc/73/34/04/1063733404.db2.gz CAGHRJDGAZUTCZ-QGZVFWFLSA-N 1 2 460.579 2.852 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1Br ZINC001291309266 1063734233 /nfs/dbraw/zinc/73/42/33/1063734233.db2.gz CJJDYVFQJCXLMT-QGZVFWFLSA-N 1 2 491.434 2.520 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1Br ZINC001291309266 1063734241 /nfs/dbraw/zinc/73/42/41/1063734241.db2.gz CJJDYVFQJCXLMT-QGZVFWFLSA-N 1 2 491.434 2.520 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(N2CCc3nc(C(F)(F)F)ncc3C2)nnc1C(C)(C)C ZINC001291309586 1063735103 /nfs/dbraw/zinc/73/51/03/1063735103.db2.gz JQXUWRVWZVHUME-CQSZACIVSA-N 1 2 453.513 2.668 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(N2CCc3nc(C(F)(F)F)ncc3C2)nnc1C(C)(C)C ZINC001291309586 1063735117 /nfs/dbraw/zinc/73/51/17/1063735117.db2.gz JQXUWRVWZVHUME-CQSZACIVSA-N 1 2 453.513 2.668 20 0 JFADLO CCN(C[C@@H]1CCCO1)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001295721445 1063736112 /nfs/dbraw/zinc/73/61/12/1063736112.db2.gz GUIAPPAJUORIHC-RDPSFJRHSA-N 1 2 458.607 2.833 20 0 JFADLO C[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC001291309951 1063737078 /nfs/dbraw/zinc/73/70/78/1063737078.db2.gz PXVBCJQAVCGAKE-HAGHYFMRSA-N 1 2 478.638 2.684 20 0 JFADLO C[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC001291309951 1063737094 /nfs/dbraw/zinc/73/70/94/1063737094.db2.gz PXVBCJQAVCGAKE-HAGHYFMRSA-N 1 2 478.638 2.684 20 0 JFADLO C[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCOC[C@H]2C)C[C@H](C)O1 ZINC001291309952 1063737158 /nfs/dbraw/zinc/73/71/58/1063737158.db2.gz PXVBCJQAVCGAKE-ZRNYENFQSA-N 1 2 478.638 2.684 20 0 JFADLO C[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCOC[C@H]2C)C[C@H](C)O1 ZINC001291309952 1063737168 /nfs/dbraw/zinc/73/71/68/1063737168.db2.gz PXVBCJQAVCGAKE-ZRNYENFQSA-N 1 2 478.638 2.684 20 0 JFADLO CCN(C[C@H]1CCCO1)c1nnc([C@H](C)Oc2ccccc2F)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001295723208 1063738617 /nfs/dbraw/zinc/73/86/17/1063738617.db2.gz SOZGMVHVDWBVJB-PZJWPPBQSA-N 1 2 488.608 2.727 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(COc2ccccc2F)nnc1N1CCC(CCCO)CC1 ZINC001291310295 1063739386 /nfs/dbraw/zinc/73/93/86/1063739386.db2.gz XOTREBYRVBDFJR-IBGZPJMESA-N 1 2 461.582 2.706 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(COc2ccccc2F)nnc1N1CCC(CCCO)CC1 ZINC001291310295 1063739393 /nfs/dbraw/zinc/73/93/93/1063739393.db2.gz XOTREBYRVBDFJR-IBGZPJMESA-N 1 2 461.582 2.706 20 0 JFADLO C[C@@H]1CSCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001291312826 1063744224 /nfs/dbraw/zinc/74/42/24/1063744224.db2.gz XKXSXGCAJCNIJG-XYPHTWIQSA-N 1 2 450.559 2.752 20 0 JFADLO CCN(C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c[nH+]ccc2OC)C1)CC(F)(F)F ZINC001295749563 1063756487 /nfs/dbraw/zinc/75/64/87/1063756487.db2.gz SGARTKUKLHELSS-MRXNPFEDSA-N 1 2 483.539 2.579 20 0 JFADLO C[C@H]1SCCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(N(C)C)[nH+]c2)[C@H]1C ZINC001291325528 1063776415 /nfs/dbraw/zinc/77/64/15/1063776415.db2.gz KCGKVEGARVWYJC-JKSUJKDBSA-N 1 2 452.588 2.765 20 0 JFADLO C[C@@H]1[C@H](C)SCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001291331403 1063786945 /nfs/dbraw/zinc/78/69/45/1063786945.db2.gz ITIIRNSTXVUDHR-HNAWSFBYSA-N 1 2 481.663 2.952 20 0 JFADLO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccccc3OC)n2Cc2c[nH+]ccc2OC)C1 ZINC001291347834 1063851110 /nfs/dbraw/zinc/85/11/10/1063851110.db2.gz VHEOBRDRXQDERY-LJQANCHMSA-N 1 2 480.569 2.813 20 0 JFADLO CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001291354392 1063860247 /nfs/dbraw/zinc/86/02/47/1063860247.db2.gz MOUCYTADEUKEKC-QGZVFWFLSA-N 1 2 495.612 2.707 20 0 JFADLO CCN(CCn1c(-c2cnccn2)nnc1N1CCN(c2cccc[nH+]2)CC1)C(=O)OC(C)(C)C ZINC001295842044 1063862300 /nfs/dbraw/zinc/86/23/00/1063862300.db2.gz SKSCZSZHNQXATK-UHFFFAOYSA-N 1 2 479.589 2.714 20 0 JFADLO CC[C@](C)(O)Cn1c(-c2ccc(Br)s2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001291362600 1063878786 /nfs/dbraw/zinc/87/87/86/1063878786.db2.gz IMKVDWLZVLOAMB-SFHVURJKSA-N 1 2 458.426 2.699 20 0 JFADLO CC[C@@](C)(O)Cn1c(-c2ccc(Br)s2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001291362599 1063878866 /nfs/dbraw/zinc/87/88/66/1063878866.db2.gz IMKVDWLZVLOAMB-GOSISDBHSA-N 1 2 458.426 2.699 20 0 JFADLO CC[C@](C)(O)Cn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC001291368309 1063893681 /nfs/dbraw/zinc/89/36/81/1063893681.db2.gz LDWBHZAPGBMHLM-DEOSSOPVSA-N 1 2 454.550 2.971 20 0 JFADLO CCn1cc([C@H]2CN(c3nnc(C(=O)NC(C)C)n3CCCc3cccc(C)[nH+]3)CCO2)cn1 ZINC001295896814 1063950673 /nfs/dbraw/zinc/95/06/73/1063950673.db2.gz MNGCOYKEYHVPBI-OAQYLSRUSA-N 1 2 466.590 2.547 20 0 JFADLO CC[C@H](C)[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001291406918 1063978205 /nfs/dbraw/zinc/97/82/05/1063978205.db2.gz DNYBMLDVFSDDQL-JBIZMDSKSA-N 1 2 492.690 2.886 20 0 JFADLO CC[C@H](C)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C ZINC001291456965 1064022935 /nfs/dbraw/zinc/02/29/35/1064022935.db2.gz AWXKEHFNQTVJEY-WOZUAGRISA-N 1 2 492.665 2.584 20 0 JFADLO CC[C@@H](C)c1nnc(N(Cc2ccco2)C[C@@H]2CCCO2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291465344 1064027445 /nfs/dbraw/zinc/02/74/45/1064027445.db2.gz KFJPYSGVWDPYRZ-KNQAVFIVSA-N 1 2 458.607 2.734 20 0 JFADLO CC[C@H](C)c1nnc(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001291468080 1064029359 /nfs/dbraw/zinc/02/93/59/1064029359.db2.gz HHXSWQHOBMQCRZ-CMKODMSKSA-N 1 2 457.623 2.668 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC(C(=O)OC)CC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001291484736 1064041490 /nfs/dbraw/zinc/04/14/90/1064041490.db2.gz DKDHWDNDVQLCAA-ZWKOTPCHSA-N 1 2 456.591 2.849 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCC(C(=O)NCCOC)CC2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001291485803 1064042699 /nfs/dbraw/zinc/04/26/99/1064042699.db2.gz VTVRZJKUFZBAJY-XLIONFOSSA-N 1 2 457.623 2.853 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2ccc(C)cc2)C[C@H]1C ZINC001295995327 1064051125 /nfs/dbraw/zinc/05/11/25/1064051125.db2.gz IHKJMSLGVPCXMB-PLACYPQZSA-N 1 2 475.659 2.875 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2ccc(C)cc2)C[C@H]1C ZINC001295995327 1064051137 /nfs/dbraw/zinc/05/11/37/1064051137.db2.gz IHKJMSLGVPCXMB-PLACYPQZSA-N 1 2 475.659 2.875 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2ccc(OC)cc2)C[C@H]1C ZINC001295997489 1064053673 /nfs/dbraw/zinc/05/36/73/1064053673.db2.gz QXGNNLSCIIOHJD-DYXWJJEUSA-N 1 2 475.659 2.741 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2ccc(OC)cc2)C[C@H]1C ZINC001295997489 1064053682 /nfs/dbraw/zinc/05/36/82/1064053682.db2.gz QXGNNLSCIIOHJD-DYXWJJEUSA-N 1 2 475.659 2.741 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2ccc(OC)cc2)C[C@@H]1C ZINC001295997492 1064053818 /nfs/dbraw/zinc/05/38/18/1064053818.db2.gz QXGNNLSCIIOHJD-ZJOUEHCJSA-N 1 2 475.659 2.741 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2ccc(OC)cc2)C[C@@H]1C ZINC001295997492 1064053827 /nfs/dbraw/zinc/05/38/27/1064053827.db2.gz QXGNNLSCIIOHJD-ZJOUEHCJSA-N 1 2 475.659 2.741 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CCc1cn2ccccc2[nH+]1 ZINC001291507239 1064058073 /nfs/dbraw/zinc/05/80/73/1064058073.db2.gz OTDKKFMDDRDXNP-KRWDZBQOSA-N 1 2 459.620 2.542 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1C ZINC001296009240 1064063499 /nfs/dbraw/zinc/06/34/99/1064063499.db2.gz FHPDEYNNWHSFHR-ACRUOGEOSA-N 1 2 475.659 2.828 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1C ZINC001296009240 1064063506 /nfs/dbraw/zinc/06/35/06/1064063506.db2.gz FHPDEYNNWHSFHR-ACRUOGEOSA-N 1 2 475.659 2.828 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCS(=O)(=O)C2)C[C@@H]1C ZINC001296009242 1064063956 /nfs/dbraw/zinc/06/39/56/1064063956.db2.gz FHPDEYNNWHSFHR-PCCBWWKXSA-N 1 2 475.659 2.828 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCS(=O)(=O)C2)C[C@@H]1C ZINC001296009242 1064063968 /nfs/dbraw/zinc/06/39/68/1064063968.db2.gz FHPDEYNNWHSFHR-PCCBWWKXSA-N 1 2 475.659 2.828 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1C ZINC001296011420 1064071013 /nfs/dbraw/zinc/07/10/13/1064071013.db2.gz OQWOMABVSQUUNP-ACRUOGEOSA-N 1 2 475.659 2.828 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1C ZINC001296011420 1064071022 /nfs/dbraw/zinc/07/10/22/1064071022.db2.gz OQWOMABVSQUUNP-ACRUOGEOSA-N 1 2 475.659 2.828 20 0 JFADLO CS(=O)(=O)Nc1ccc(N2CCN(C(=O)c3c[nH+]ccc3Nc3ccccc3)CC2)cc1 ZINC001296035079 1064093938 /nfs/dbraw/zinc/09/39/38/1064093938.db2.gz DGSGPVOAGCVZLB-UHFFFAOYSA-N 1 2 451.552 2.581 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCCO[C@@H](c3ccccc3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291572286 1064098344 /nfs/dbraw/zinc/09/83/44/1064098344.db2.gz KCNZTGYCPRZMCZ-NFBKMPQASA-N 1 2 454.619 2.924 20 0 JFADLO CC[C@H](C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001291599267 1064134417 /nfs/dbraw/zinc/13/44/17/1064134417.db2.gz YGFPEPWJPCABIR-OUDXUNEISA-N 1 2 486.636 2.971 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1CCOCC(F)(F)C(F)F ZINC001291603263 1064139387 /nfs/dbraw/zinc/13/93/87/1064139387.db2.gz UHDNDCLAIMHEQN-AWEZNQCLSA-N 1 2 499.517 2.712 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCN(Cc3ccc(OC)c(F)c3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001291630216 1064175415 /nfs/dbraw/zinc/17/54/15/1064175415.db2.gz SLSPYZMAUUJWNE-WOJBJXKFSA-N 1 2 474.625 2.982 20 0 JFADLO CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1Cc1ccc(F)cn1 ZINC001291639560 1064187566 /nfs/dbraw/zinc/18/75/66/1064187566.db2.gz NLSJTUFCMBPNKG-SIKLNZKXSA-N 1 2 459.614 2.605 20 0 JFADLO CC[C@H](C)CN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CC[N@@H+]1CCOC[C@H]1C ZINC001291714215 1064224649 /nfs/dbraw/zinc/22/46/49/1064224649.db2.gz PEVWQIJODQEYIR-RBUKOAKNSA-N 1 2 467.618 2.878 20 0 JFADLO CC[C@H](C)CN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CC[N@H+]1CCOC[C@H]1C ZINC001291714215 1064224660 /nfs/dbraw/zinc/22/46/60/1064224660.db2.gz PEVWQIJODQEYIR-RBUKOAKNSA-N 1 2 467.618 2.878 20 0 JFADLO CC[C@H](C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001291733660 1064231101 /nfs/dbraw/zinc/23/11/01/1064231101.db2.gz ZGZWDCJBMJWPOU-OALUTQOASA-N 1 2 469.638 2.887 20 0 JFADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001296132633 1064231025 /nfs/dbraw/zinc/23/10/25/1064231025.db2.gz CGIPUOCPSBWRDX-PKTZIBPZSA-N 1 2 497.688 2.557 20 0 JFADLO CC[C@H](C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001291733660 1064231110 /nfs/dbraw/zinc/23/11/10/1064231110.db2.gz ZGZWDCJBMJWPOU-OALUTQOASA-N 1 2 469.638 2.887 20 0 JFADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296132925 1064232242 /nfs/dbraw/zinc/23/22/42/1064232242.db2.gz FABSAUUGUYIILX-FDFHNCONSA-N 1 2 456.635 2.805 20 0 JFADLO CC[C@H](C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001291743716 1064232827 /nfs/dbraw/zinc/23/28/27/1064232827.db2.gz HZCNPSPBGSJWCJ-OALUTQOASA-N 1 2 467.618 2.785 20 0 JFADLO CC[C@H](C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@H+]1CCOC[C@@H]1C ZINC001291743716 1064232837 /nfs/dbraw/zinc/23/28/37/1064232837.db2.gz HZCNPSPBGSJWCJ-OALUTQOASA-N 1 2 467.618 2.785 20 0 JFADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)C[C@H]2CCOC2)CC1 ZINC001296133874 1064234884 /nfs/dbraw/zinc/23/48/84/1064234884.db2.gz LFUIVPHROTZRNH-DHIUTWEWSA-N 1 2 470.662 2.973 20 0 JFADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)C[C@@H]2CCOC2)CC1 ZINC001296133880 1064235024 /nfs/dbraw/zinc/23/50/24/1064235024.db2.gz LFUIVPHROTZRNH-GOTSBHOMSA-N 1 2 470.662 2.973 20 0 JFADLO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001296142482 1064249948 /nfs/dbraw/zinc/24/99/48/1064249948.db2.gz LXPKQGOBXMRTLG-QYZOEREBSA-N 1 2 479.622 2.912 20 0 JFADLO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001296142482 1064249956 /nfs/dbraw/zinc/24/99/56/1064249956.db2.gz LXPKQGOBXMRTLG-QYZOEREBSA-N 1 2 479.622 2.912 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCS(=O)(=O)CC)C[C@@H]1C ZINC001296148111 1064258808 /nfs/dbraw/zinc/25/88/08/1064258808.db2.gz SDCDIPQDVKLSPT-HNNXBMFYSA-N 1 2 470.437 2.673 20 0 JFADLO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCS(=O)(=O)CC)C[C@@H]1C ZINC001296148111 1064258816 /nfs/dbraw/zinc/25/88/16/1064258816.db2.gz SDCDIPQDVKLSPT-HNNXBMFYSA-N 1 2 470.437 2.673 20 0 JFADLO CC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC(C)C)cc2)C[C@@H]1C ZINC001296163918 1064280769 /nfs/dbraw/zinc/28/07/69/1064280769.db2.gz ZICOJUSTEWFLBV-FPOVZHCZSA-N 1 2 475.659 2.794 20 0 JFADLO CC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC(C)C)cc2)C[C@@H]1C ZINC001296163918 1064280783 /nfs/dbraw/zinc/28/07/83/1064280783.db2.gz ZICOJUSTEWFLBV-FPOVZHCZSA-N 1 2 475.659 2.794 20 0 JFADLO CC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC(C)C)cc2)C[C@H]1C ZINC001296163917 1064280947 /nfs/dbraw/zinc/28/09/47/1064280947.db2.gz ZICOJUSTEWFLBV-CTNGQTDRSA-N 1 2 475.659 2.794 20 0 JFADLO CC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC(C)C)cc2)C[C@H]1C ZINC001296163917 1064280966 /nfs/dbraw/zinc/28/09/66/1064280966.db2.gz ZICOJUSTEWFLBV-CTNGQTDRSA-N 1 2 475.659 2.794 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CCS(=O)(=O)c2ccccc2)C[C@H]1C ZINC001296171352 1064293801 /nfs/dbraw/zinc/29/38/01/1064293801.db2.gz RRCGGHNZACFYQV-QGZVFWFLSA-N 1 2 474.656 2.638 20 0 JFADLO CC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CCS(=O)(=O)c2ccccc2)C[C@H]1C ZINC001296171352 1064293816 /nfs/dbraw/zinc/29/38/16/1064293816.db2.gz RRCGGHNZACFYQV-QGZVFWFLSA-N 1 2 474.656 2.638 20 0 JFADLO CC[C@@H](C)NC(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001291796014 1064302198 /nfs/dbraw/zinc/30/21/98/1064302198.db2.gz IRIXMCWVNVZAKG-FYYLOGMGSA-N 1 2 497.688 2.863 20 0 JFADLO CC[C@H](c1nnc(N(C)[C@@H]2CCSC2)n1CC[NH+]1CCN(C(C)=O)CC1)c1ccccc1 ZINC001291845863 1064453523 /nfs/dbraw/zinc/45/35/23/1064453523.db2.gz TVTQINGTKWVLHN-YADHBBJMSA-N 1 2 456.660 2.926 20 0 JFADLO CCNC(=O)C(C)(C)Cn1c(-c2cccn2C)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001296234880 1064480820 /nfs/dbraw/zinc/48/08/20/1064480820.db2.gz SPLMFCXYBIQGGQ-UHFFFAOYSA-N 1 2 470.647 2.533 20 0 JFADLO CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1)OC ZINC001291923922 1064544868 /nfs/dbraw/zinc/54/48/68/1064544868.db2.gz SWIBMJWKEWKSLK-OAQYLSRUSA-N 1 2 473.666 2.710 20 0 JFADLO CCC(CC)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC(C)C)CC1)SC ZINC001291932719 1064550909 /nfs/dbraw/zinc/55/09/09/1064550909.db2.gz JNIGVCRCHZJXRI-GOSISDBHSA-N 1 2 457.710 2.880 20 0 JFADLO CCNC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2Cc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC001296294932 1064570728 /nfs/dbraw/zinc/57/07/28/1064570728.db2.gz NVPSIIDGTUPSHX-UHFFFAOYSA-N 1 2 482.677 2.558 20 0 JFADLO CCC(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCS(=O)(=O)CC1)[NH+]1CCOCC1 ZINC001291964111 1064578174 /nfs/dbraw/zinc/57/81/74/1064578174.db2.gz SXGJVLWACSYTHS-QFIPXVFZSA-N 1 2 475.659 2.625 20 0 JFADLO CCC(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1C(C)C)[NH+]1CCOCC1 ZINC001291968496 1064584407 /nfs/dbraw/zinc/58/44/07/1064584407.db2.gz PWQIAFNWYJKLLP-VSKRKVRLSA-N 1 2 481.707 2.942 20 0 JFADLO CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(C)(C)C)[NH+]1CCOCC1 ZINC001291969671 1064585678 /nfs/dbraw/zinc/58/56/78/1064585678.db2.gz XMSGNHNHRVYRQN-PMACEKPBSA-N 1 2 469.696 2.800 20 0 JFADLO CCC(CC)[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCS(=O)(=O)CC1)[NH+]1CCOCC1 ZINC001291969912 1064585948 /nfs/dbraw/zinc/58/59/48/1064585948.db2.gz YETYSQPEDUAORW-QHCPKHFHSA-N 1 2 489.686 2.549 20 0 JFADLO CCNC(=O)N1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCNc2cccc[nH+]2)CC1 ZINC001296308609 1064589907 /nfs/dbraw/zinc/58/99/07/1064589907.db2.gz ZBOVPBYHGYYWJQ-UHFFFAOYSA-N 1 2 494.600 2.711 20 0 JFADLO CCNC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCNc2cccc[nH+]2)CC1 ZINC001296315673 1064595245 /nfs/dbraw/zinc/59/52/45/1064595245.db2.gz GUCFMDGMMVPTAX-UHFFFAOYSA-N 1 2 484.555 2.896 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C3CCOCC3)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001292052997 1064717344 /nfs/dbraw/zinc/71/73/44/1064717344.db2.gz IIKHOODOGOCQJG-HXUWFJFHSA-N 1 2 476.666 2.560 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C3CCOCC3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001292053500 1064718129 /nfs/dbraw/zinc/71/81/29/1064718129.db2.gz PDXRPVMJXZJUKV-FQEVSTJZSA-N 1 2 476.666 2.560 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C3CCOCC3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001292053500 1064718139 /nfs/dbraw/zinc/71/81/39/1064718139.db2.gz PDXRPVMJXZJUKV-FQEVSTJZSA-N 1 2 476.666 2.560 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C3CCOCC3)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001292053501 1064718191 /nfs/dbraw/zinc/71/81/91/1064718191.db2.gz PDXRPVMJXZJUKV-HXUWFJFHSA-N 1 2 476.666 2.560 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C3CCOCC3)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001292053501 1064718204 /nfs/dbraw/zinc/71/82/04/1064718204.db2.gz PDXRPVMJXZJUKV-HXUWFJFHSA-N 1 2 476.666 2.560 20 0 JFADLO CCOC(=O)N1[C@H](C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC[C@H]1c1ccc(C)o1 ZINC001292059209 1064728706 /nfs/dbraw/zinc/72/87/06/1064728706.db2.gz UAGCDLAHQVKLKZ-NPPFBWRTSA-N 1 2 451.589 2.574 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1Cc1nccn1C(F)F ZINC001292074076 1064752921 /nfs/dbraw/zinc/75/29/21/1064752921.db2.gz LFURDQHYHCTPCY-UHFFFAOYSA-N 1 2 487.559 2.860 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(=O)NC)C2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001292086188 1064768724 /nfs/dbraw/zinc/76/87/24/1064768724.db2.gz ROXJSFCIXNEOCG-GOSISDBHSA-N 1 2 496.591 2.532 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](NC(C)=O)C2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001292088109 1064771291 /nfs/dbraw/zinc/77/12/91/1064771291.db2.gz CAMPZQMGKGZJRQ-QFIPXVFZSA-N 1 2 496.660 2.735 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1Cc1c[nH+]ccc1OC ZINC001292093971 1064783329 /nfs/dbraw/zinc/78/33/29/1064783329.db2.gz HMHKSUHTUNJVRQ-QGZVFWFLSA-N 1 2 466.590 2.766 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C[C@@]1(O)CCCC1(C)C ZINC001292121582 1064851149 /nfs/dbraw/zinc/85/11/49/1064851149.db2.gz ARGGFPOCENMBCC-VWLOTQADSA-N 1 2 484.649 2.563 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C[C@]1(O)CCCC1(C)C ZINC001292121581 1064851233 /nfs/dbraw/zinc/85/12/33/1064851233.db2.gz ARGGFPOCENMBCC-RUZDIDTESA-N 1 2 484.649 2.563 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CCc1nc(C)c(C)s1 ZINC001292122649 1064858920 /nfs/dbraw/zinc/85/89/20/1064858920.db2.gz VSHXFUYDFRTNKS-UHFFFAOYSA-N 1 2 497.673 2.938 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCN(CC(C)C)C(=O)C2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001292125770 1064871634 /nfs/dbraw/zinc/87/16/34/1064871634.db2.gz VSIAVIQXZIJCKD-LJQANCHMSA-N 1 2 484.649 2.584 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001292125941 1064873027 /nfs/dbraw/zinc/87/30/27/1064873027.db2.gz NEMIYMPPGCIYBA-UHFFFAOYSA-N 1 2 494.706 2.619 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001292138147 1064905326 /nfs/dbraw/zinc/90/53/26/1064905326.db2.gz XAJGOOBDOMNDBJ-IBGZPJMESA-N 1 2 464.655 2.559 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001292138147 1064905336 /nfs/dbraw/zinc/90/53/36/1064905336.db2.gz XAJGOOBDOMNDBJ-IBGZPJMESA-N 1 2 464.655 2.559 20 0 JFADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)c1ccc(=O)n(-c2cccc(F)c2)c1 ZINC001292182276 1064972633 /nfs/dbraw/zinc/97/26/33/1064972633.db2.gz BHCHHUPQXANUPU-UHFFFAOYSA-N 1 2 451.498 2.618 20 0 JFADLO CC[C@@H](Cn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)CC[NH+]1CCOCC1)OC ZINC001292194818 1064987038 /nfs/dbraw/zinc/98/70/38/1064987038.db2.gz ZODOFDKOWLMFTO-KRWDZBQOSA-N 1 2 482.423 2.910 20 0 JFADLO CCC(O)(CC)Cn1c(C2CCCC2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001292284940 1065059281 /nfs/dbraw/zinc/05/92/81/1065059281.db2.gz QSYMIIQZHUGFJX-JOCHJYFZSA-N 1 2 462.683 2.718 20 0 JFADLO CC[C@]1(C)CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC001292318147 1065083334 /nfs/dbraw/zinc/08/33/34/1065083334.db2.gz KRHPJYVBKCLQKJ-PTUXOGIPSA-N 1 2 467.680 2.836 20 0 JFADLO CC[C@]1(C)CCN(c2nnc([C@@H](C)OCCOC)n2C[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC001292318149 1065083362 /nfs/dbraw/zinc/08/33/62/1065083362.db2.gz KRHPJYVBKCLQKJ-UEVCKROQSA-N 1 2 467.680 2.836 20 0 JFADLO CC[C@]1(C)CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CCO1 ZINC001292366245 1065108435 /nfs/dbraw/zinc/10/84/35/1065108435.db2.gz WXVNOKILDXPDIF-PMAPCBKXSA-N 1 2 462.545 2.816 20 0 JFADLO CC[C@]1(C)CN(c2nnc(COc3ccccc3OC)n2CC[N@@H+]2CCOC[C@@H]2C)CCO1 ZINC001292379277 1065123320 /nfs/dbraw/zinc/12/33/20/1065123320.db2.gz JYADZJYRRPLDGT-YADARESESA-N 1 2 459.591 2.592 20 0 JFADLO CC[C@]1(C)CN(c2nnc(COc3ccccc3OC)n2CC[N@H+]2CCOC[C@@H]2C)CCO1 ZINC001292379277 1065123324 /nfs/dbraw/zinc/12/33/24/1065123324.db2.gz JYADZJYRRPLDGT-YADARESESA-N 1 2 459.591 2.592 20 0 JFADLO CCc1ccc(-c2nnc(N3CC[NH+]([C@@H](C)C(=O)NC4CC4)CC3)n2CC(F)(F)F)cc1 ZINC001292519090 1065244065 /nfs/dbraw/zinc/24/40/65/1065244065.db2.gz VJHWBUFILIGRME-HNNXBMFYSA-N 1 2 450.509 2.859 20 0 JFADLO CCc1ccc([C@@H]2CCCN2c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)[nH+]c2)o1 ZINC001292538084 1065262121 /nfs/dbraw/zinc/26/21/21/1065262121.db2.gz OJUQJYWXWIIXCC-APWZRJJASA-N 1 2 487.630 2.895 20 0 JFADLO CCc1ccc([C@H]2CCCN2c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)[nH+]c2)o1 ZINC001292538087 1065262228 /nfs/dbraw/zinc/26/22/28/1065262228.db2.gz OJUQJYWXWIIXCC-VQIMIIECSA-N 1 2 487.630 2.895 20 0 JFADLO CCc1ccccc1NC(=O)CN(C)c1nnc(Cc2ccncc2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001292576917 1065287432 /nfs/dbraw/zinc/28/74/32/1065287432.db2.gz AWQCCAMYTHKCRA-HXUWFJFHSA-N 1 2 477.613 2.622 20 0 JFADLO CCc1ccccc1NC(=O)CN1CCN(c2nnc([C@@H](C)CC)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001292579483 1065294217 /nfs/dbraw/zinc/29/42/17/1065294217.db2.gz SDBMNQIXQAHSOK-VXKWHMMOSA-N 1 2 497.688 2.835 20 0 JFADLO CCc1ccccc1NC(=O)CN1CCN(c2nnc([C@@H](C)CC)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001292579483 1065294227 /nfs/dbraw/zinc/29/42/27/1065294227.db2.gz SDBMNQIXQAHSOK-VXKWHMMOSA-N 1 2 497.688 2.835 20 0 JFADLO CCc1ccccc1OCc1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001292603789 1065327226 /nfs/dbraw/zinc/32/72/26/1065327226.db2.gz NWJCEINXJGGJTE-NRFANRHFSA-N 1 2 497.688 2.537 20 0 JFADLO CCc1ccccc1OCc1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001292603789 1065327240 /nfs/dbraw/zinc/32/72/40/1065327240.db2.gz NWJCEINXJGGJTE-NRFANRHFSA-N 1 2 497.688 2.537 20 0 JFADLO CCc1ccccc1OCc1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001292610438 1065338071 /nfs/dbraw/zinc/33/80/71/1065338071.db2.gz POMRSERBBWATJY-FQEVSTJZSA-N 1 2 475.659 2.775 20 0 JFADLO CCc1ccccc1OCc1nnc(N2CCSCC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001292618463 1065354138 /nfs/dbraw/zinc/35/41/38/1065354138.db2.gz BLCYJLDAWRBQND-HXUWFJFHSA-N 1 2 458.676 2.999 20 0 JFADLO CCc1nc(C)c([C@@H](C)N(C)c2nnc(Cc3ccccn3)n2CC[NH+]2CCN(C(C)=O)CC2)s1 ZINC001292680651 1065421935 /nfs/dbraw/zinc/42/19/35/1065421935.db2.gz VPNOZFRTMFWCJP-LJQANCHMSA-N 1 2 496.685 2.953 20 0 JFADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@H](C)c3ccc(F)c(F)c3)cc2)CC1 ZINC001292705386 1065461011 /nfs/dbraw/zinc/46/10/11/1065461011.db2.gz CSEKMJNRDLALJK-GOSISDBHSA-N 1 2 459.537 2.970 20 0 JFADLO CN(C)c1nc(N)nc(COc2cccc(NC(=O)c3c[nH+]ccc3Nc3ccccc3)c2)n1 ZINC001292731858 1065493335 /nfs/dbraw/zinc/49/33/35/1065493335.db2.gz ATPUUHKXVDXFMP-UHFFFAOYSA-N 1 2 456.510 2.912 20 0 JFADLO COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2N(C(=O)OC(C)(C)C)CC23CCOCC3)CC1 ZINC001292770598 1065526982 /nfs/dbraw/zinc/52/69/82/1065526982.db2.gz PMBJWJRCRJNUPG-OAQYLSRUSA-N 1 2 459.587 2.756 20 0 JFADLO CCc1nnc(N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001292807668 1065562318 /nfs/dbraw/zinc/56/23/18/1065562318.db2.gz AVUVNGVMLQXPMM-WRURNZQNSA-N 1 2 462.639 2.928 20 0 JFADLO CCc1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001292814273 1065564892 /nfs/dbraw/zinc/56/48/92/1065564892.db2.gz SKBOXYCZGXIULW-UHFFFAOYSA-N 1 2 485.633 2.956 20 0 JFADLO CCc1nnc(N(CC)CC2CCN(c3cccc[nH+]3)CC2)n1CC(=O)NCC(F)(F)F ZINC001292875881 1065582035 /nfs/dbraw/zinc/58/20/35/1065582035.db2.gz KUIQSZAJZLAEBA-UHFFFAOYSA-N 1 2 453.513 2.657 20 0 JFADLO COc1ccc(C2(C(=O)N3CC[NH+](Cc4ccc(C(N)=O)cc4)CC3)CCCC2)cc1OC ZINC001292941958 1065626884 /nfs/dbraw/zinc/62/68/84/1065626884.db2.gz JRHGMWPPGITYKG-UHFFFAOYSA-N 1 2 451.567 2.959 20 0 JFADLO CCc1nnc(N2CCC(NC(=O)NC3CCCCC3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001292981061 1065665224 /nfs/dbraw/zinc/66/52/24/1065665224.db2.gz BVXFSRGSDUSVJC-UHFFFAOYSA-N 1 2 454.623 2.951 20 0 JFADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2nn(-c3ccc(C)cc3C)c3c2CCC3)CC1 ZINC001292988128 1065675533 /nfs/dbraw/zinc/67/55/33/1065675533.db2.gz ZKBQLWRFWNKNCR-UHFFFAOYSA-N 1 2 451.615 2.994 20 0 JFADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2nn(-c3ccc(C)cc3C)c3c2CCC3)CC1 ZINC001292988128 1065675539 /nfs/dbraw/zinc/67/55/39/1065675539.db2.gz ZKBQLWRFWNKNCR-UHFFFAOYSA-N 1 2 451.615 2.994 20 0 JFADLO CCc1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCCS(=O)(=O)Cc1ccccc1 ZINC001293004217 1065689200 /nfs/dbraw/zinc/68/92/00/1065689200.db2.gz NEXDZTDDFXZORH-UHFFFAOYSA-N 1 2 468.627 2.869 20 0 JFADLO CC(C)(C)OC(=O)N1CCC(Cc2ccccc2C(=O)N2CCC[N@H+](CC(N)=O)CC2)CC1 ZINC001293074986 1065727093 /nfs/dbraw/zinc/72/70/93/1065727093.db2.gz WIXOMDCXYSIYLW-UHFFFAOYSA-N 1 2 458.603 2.509 20 0 JFADLO CC(C)(C)OC(=O)N1CCC(Cc2ccccc2C(=O)N2CCC[N@@H+](CC(N)=O)CC2)CC1 ZINC001293074986 1065727104 /nfs/dbraw/zinc/72/71/04/1065727104.db2.gz WIXOMDCXYSIYLW-UHFFFAOYSA-N 1 2 458.603 2.509 20 0 JFADLO CCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001293089892 1065739027 /nfs/dbraw/zinc/73/90/27/1065739027.db2.gz XCZWRXDCGSBRRJ-RTBURBONSA-N 1 2 485.633 2.955 20 0 JFADLO CCc1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001293095401 1065745122 /nfs/dbraw/zinc/74/51/22/1065745122.db2.gz QVOHZXZFPDOYAE-ICSRJNTNSA-N 1 2 466.552 2.987 20 0 JFADLO CCc1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1Cc1ccc(CS(C)(=O)=O)cc1 ZINC001293127873 1065778717 /nfs/dbraw/zinc/77/87/17/1065778717.db2.gz HRVJNGARXHPOSC-UHFFFAOYSA-N 1 2 474.656 2.521 20 0 JFADLO CCc1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1CCCn1cc(Br)cn1 ZINC001293129269 1065779495 /nfs/dbraw/zinc/77/94/95/1065779495.db2.gz UWUGAZMRRIGFSF-UHFFFAOYSA-N 1 2 479.452 2.977 20 0 JFADLO CCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCc1ccc(F)cc1C ZINC001293130589 1065781701 /nfs/dbraw/zinc/78/17/01/1065781701.db2.gz INFVBFCJPIUAEV-HSZRJFAPSA-N 1 2 458.626 2.762 20 0 JFADLO CCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCO[C@@H]1CCCC[C@H]1C ZINC001293131358 1065783385 /nfs/dbraw/zinc/78/33/85/1065783385.db2.gz OUVHJXNXJBFMGU-DNVJHFABSA-N 1 2 462.683 2.667 20 0 JFADLO CCc1nnc(N2CC[NH+](CCOc3cccc(OC)c3)CC2)n1CC[S@](=O)C(C)(C)C ZINC001293136308 1065786862 /nfs/dbraw/zinc/78/68/62/1065786862.db2.gz JLHSYTRESJPCRS-YTTGMZPUSA-N 1 2 463.648 2.597 20 0 JFADLO CCc1noc(C)c1Cn1c([C@H](C)CC)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001293190133 1065816613 /nfs/dbraw/zinc/81/66/13/1065816613.db2.gz HLSVGOTYRLBPAX-MSOLQXFVSA-N 1 2 457.623 2.832 20 0 JFADLO CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)N3CC[NH+](C/C=C\c4ccccc4)CC3)CCC2)C1 ZINC001293224285 1065878336 /nfs/dbraw/zinc/87/83/36/1065878336.db2.gz ZTJSOXPUWMKLPK-XFFZJAGNSA-N 1 2 455.599 2.996 20 0 JFADLO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2ccccn2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001293240093 1065896862 /nfs/dbraw/zinc/89/68/62/1065896862.db2.gz WISBXNKWTUBYLS-UXHICEINSA-N 1 2 469.540 2.560 20 0 JFADLO NC(=O)[C@H]1CC(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)=NN1c1ccccc1 ZINC001293321934 1065948210 /nfs/dbraw/zinc/94/82/10/1065948210.db2.gz ILXRXXDHOOMQGW-DYESRHJHSA-N 1 2 457.937 2.680 20 0 JFADLO NC(=O)[C@H]1CC(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)=NN1c1ccccc1 ZINC001293321934 1065948216 /nfs/dbraw/zinc/94/82/16/1065948216.db2.gz ILXRXXDHOOMQGW-DYESRHJHSA-N 1 2 457.937 2.680 20 0 JFADLO CC[C@@H]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001293345250 1065957665 /nfs/dbraw/zinc/95/76/65/1065957665.db2.gz PWWZWXVZOXCVBW-KSZLIROESA-N 1 2 475.663 2.738 20 0 JFADLO CC[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC001293455132 1066012146 /nfs/dbraw/zinc/01/21/46/1066012146.db2.gz LKRVWRGUYWXLGX-ROUUACIJSA-N 1 2 461.636 2.558 20 0 JFADLO CC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CC2(S(C)(=O)=O)CC2)CC[N@@H+]1CCOC ZINC001293563872 1066076563 /nfs/dbraw/zinc/07/65/63/1066076563.db2.gz DEDYFEGKVGZMGM-KRWDZBQOSA-N 1 2 482.050 2.723 20 0 JFADLO CC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CC2(S(C)(=O)=O)CC2)CC[N@H+]1CCOC ZINC001293563872 1066076570 /nfs/dbraw/zinc/07/65/70/1066076570.db2.gz DEDYFEGKVGZMGM-KRWDZBQOSA-N 1 2 482.050 2.723 20 0 JFADLO CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2CCS(=O)(=O)C(C)(C)C)CC[N@@H+]1CCOC ZINC001293568150 1066080659 /nfs/dbraw/zinc/08/06/59/1066080659.db2.gz NLLDPMIOZWCDAV-LJQANCHMSA-N 1 2 493.674 2.714 20 0 JFADLO CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2CCS(=O)(=O)C(C)(C)C)CC[N@H+]1CCOC ZINC001293568150 1066080669 /nfs/dbraw/zinc/08/06/69/1066080669.db2.gz NLLDPMIOZWCDAV-LJQANCHMSA-N 1 2 493.674 2.714 20 0 JFADLO CC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCC(F)(F)CC2)CC[N@@H+]1CCOC ZINC001293599705 1066114653 /nfs/dbraw/zinc/11/46/53/1066114653.db2.gz NXCIGYONMABMHS-MOPGFXCFSA-N 1 2 489.633 2.553 20 0 JFADLO CC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCC(F)(F)CC2)CC[N@H+]1CCOC ZINC001293599705 1066114660 /nfs/dbraw/zinc/11/46/60/1066114660.db2.gz NXCIGYONMABMHS-MOPGFXCFSA-N 1 2 489.633 2.553 20 0 JFADLO CC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC[S@](=O)CC)C[C@@H]1[NH+]1CCOCC1 ZINC001293613456 1066130546 /nfs/dbraw/zinc/13/05/46/1066130546.db2.gz SAZCDKFLVQIBKA-INZNPWIESA-N 1 2 480.078 2.838 20 0 JFADLO CC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC2(S(C)(=O)=O)CCC2)CC[N@@H+]1CCOC ZINC001293613793 1066131557 /nfs/dbraw/zinc/13/15/57/1066131557.db2.gz VIDUWEZRMACNAD-OAQYLSRUSA-N 1 2 493.649 2.522 20 0 JFADLO CC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC2(S(C)(=O)=O)CCC2)CC[N@H+]1CCOC ZINC001293613793 1066131559 /nfs/dbraw/zinc/13/15/59/1066131559.db2.gz VIDUWEZRMACNAD-OAQYLSRUSA-N 1 2 493.649 2.522 20 0 JFADLO CC[C@H]1CN(c2nnc(CSc3ccccc3OC)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001293652498 1066164680 /nfs/dbraw/zinc/16/46/80/1066164680.db2.gz PLDMOWMXNYEROA-OALUTQOASA-N 1 2 461.632 2.915 20 0 JFADLO CC/C=C\Cn1c(Cc2csc(C)n2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001293714513 1066180364 /nfs/dbraw/zinc/18/03/64/1066180364.db2.gz KPZRVXKVRUEEQO-DYRFGFBLSA-N 1 2 473.691 2.831 20 0 JFADLO CCCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001293749819 1066223726 /nfs/dbraw/zinc/22/37/26/1066223726.db2.gz IJUJTHJUFQKFOA-UXHICEINSA-N 1 2 455.607 2.914 20 0 JFADLO CCCC(=O)NC1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(N(CC)CC)[nH+]c2)CC1 ZINC001293771638 1066260851 /nfs/dbraw/zinc/26/08/51/1066260851.db2.gz ZHTAPDXEKUFLCY-UHFFFAOYSA-N 1 2 477.617 2.910 20 0 JFADLO CCC[C@@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001293798548 1066309774 /nfs/dbraw/zinc/30/97/74/1066309774.db2.gz SRWFPLAUHXRAPL-WNCULLNHSA-N 1 2 497.688 2.915 20 0 JFADLO CCC[C@H](C)C(=O)NCCn1c(CC(C)(C)C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001293861856 1066371126 /nfs/dbraw/zinc/37/11/26/1066371126.db2.gz SRNQYJHLRCPRSQ-LEWJYISDSA-N 1 2 489.709 2.552 20 0 JFADLO CCC[C@H](C)C(=O)NCCn1c(CC(C)(C)C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001293861859 1066371211 /nfs/dbraw/zinc/37/12/11/1066371211.db2.gz SRNQYJHLRCPRSQ-SFTDATJTSA-N 1 2 489.709 2.552 20 0 JFADLO CCC[C@@H](C)C(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001293862883 1066372937 /nfs/dbraw/zinc/37/29/37/1066372937.db2.gz KZWCWMSPRRXZOH-NQIIRXRSSA-N 1 2 473.622 2.691 20 0 JFADLO CCC[C@H](C)C(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001293871726 1066383819 /nfs/dbraw/zinc/38/38/19/1066383819.db2.gz SDKWZMHLBPGZMV-FXAWDEMLSA-N 1 2 455.607 2.706 20 0 JFADLO CCC[C@H](C)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001293884839 1066388964 /nfs/dbraw/zinc/38/89/64/1066388964.db2.gz JXMYOYBTTOOPQZ-NSHGMRRFSA-N 1 2 455.607 2.770 20 0 JFADLO C[C@H](CNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)C[NH+]1CCOCC1 ZINC001293933232 1066413354 /nfs/dbraw/zinc/41/33/54/1066413354.db2.gz QXUKTHWUQQRZKI-MRXNPFEDSA-N 1 2 451.976 2.839 20 0 JFADLO CCC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1)OC ZINC001293960570 1066459590 /nfs/dbraw/zinc/45/95/90/1066459590.db2.gz DRLBBKIGYMFTQK-IBGZPJMESA-N 1 2 476.025 2.553 20 0 JFADLO CCC[C@H](Cn1c(CC2CCCC2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)OC ZINC001293983530 1066488339 /nfs/dbraw/zinc/48/83/39/1066488339.db2.gz HYWDLMPDTRYXKD-RBBKRZOGSA-N 1 2 460.667 2.959 20 0 JFADLO CCC[C@H]1CN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)CCO1 ZINC001294054963 1066528502 /nfs/dbraw/zinc/52/85/02/1066528502.db2.gz QRKJCOUCVOYXPY-UGKGYDQZSA-N 1 2 499.660 2.870 20 0 JFADLO CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2C[C@H]2CCCCS2(=O)=O)CC[N@@H+]1CCOC ZINC001294072065 1066541294 /nfs/dbraw/zinc/54/12/94/1066541294.db2.gz CYKSCKZMNJWJAC-VQTJNVASSA-N 1 2 493.649 2.989 20 0 JFADLO CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2C[C@H]2CCCCS2(=O)=O)CC[N@H+]1CCOC ZINC001294072065 1066541305 /nfs/dbraw/zinc/54/13/05/1066541305.db2.gz CYKSCKZMNJWJAC-VQTJNVASSA-N 1 2 493.649 2.989 20 0 JFADLO CCC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)s2)CC[N@@H+]1CCOC ZINC001294086452 1066557325 /nfs/dbraw/zinc/55/73/25/1066557325.db2.gz LRDMKIAVASBROB-MOPGFXCFSA-N 1 2 481.688 2.536 20 0 JFADLO CCC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)s2)CC[N@H+]1CCOC ZINC001294086452 1066557336 /nfs/dbraw/zinc/55/73/36/1066557336.db2.gz LRDMKIAVASBROB-MOPGFXCFSA-N 1 2 481.688 2.536 20 0 JFADLO c1c(C[NH+]2CCN([C@H]3CCOC3)CC2)sc2c1nc(N1CCC13CCCC3)nc2N1CCOCC1 ZINC001164399621 718845278 /nfs/dbraw/zinc/84/52/78/718845278.db2.gz BOAZFJUCFVDCBR-FQEVSTJZSA-N 1 2 498.697 2.957 20 0 JFADLO c1c(CN2CC[NH+]([C@H]3CCOC3)CC2)sc2c1nc(N1CCC13CCCC3)nc2N1CCOCC1 ZINC001164399621 718845280 /nfs/dbraw/zinc/84/52/80/718845280.db2.gz BOAZFJUCFVDCBR-FQEVSTJZSA-N 1 2 498.697 2.957 20 0 JFADLO COCCN1CC[N@H+](C)C2(CCN([C@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)CC2)C1=O ZINC001164644466 719282449 /nfs/dbraw/zinc/28/24/49/719282449.db2.gz KQICTIFFJOJQPK-QFIPXVFZSA-N 1 2 477.968 2.684 20 0 JFADLO COCCN1CC[N@@H+](C)C2(CCN([C@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)CC2)C1=O ZINC001164644466 719282453 /nfs/dbraw/zinc/28/24/53/719282453.db2.gz KQICTIFFJOJQPK-QFIPXVFZSA-N 1 2 477.968 2.684 20 0 JFADLO COCCN1CC[N@H+](C)C2(CCN(c3cnc(Cl)nc3Oc3cccc(F)c3)CC2)C1=O ZINC001164644968 719284871 /nfs/dbraw/zinc/28/48/71/719284871.db2.gz YFIKATJFGFXNID-UHFFFAOYSA-N 1 2 463.941 2.821 20 0 JFADLO COCCN1CC[N@@H+](C)C2(CCN(c3cnc(Cl)nc3Oc3cccc(F)c3)CC2)C1=O ZINC001164644968 719284872 /nfs/dbraw/zinc/28/48/72/719284872.db2.gz YFIKATJFGFXNID-UHFFFAOYSA-N 1 2 463.941 2.821 20 0 JFADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(S(=O)(=O)NC)cn1)CC2 ZINC001164659502 719353937 /nfs/dbraw/zinc/35/39/37/719353937.db2.gz PLBJATOHJOYTKM-UHFFFAOYSA-N 1 2 466.611 2.684 20 0 JFADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(S(=O)(=O)NC)cn1)CC2 ZINC001164659502 719353939 /nfs/dbraw/zinc/35/39/39/719353939.db2.gz PLBJATOHJOYTKM-UHFFFAOYSA-N 1 2 466.611 2.684 20 0 JFADLO COC(=O)C1CCN(c2nccnc2N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)CC1 ZINC001164669919 719514721 /nfs/dbraw/zinc/51/47/21/719514721.db2.gz AKPQETGBDWGGLW-UHFFFAOYSA-N 1 2 483.588 2.877 20 0 JFADLO COC(=O)C1CCN(c2nccnc2N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)CC1 ZINC001164669919 719514738 /nfs/dbraw/zinc/51/47/38/719514738.db2.gz AKPQETGBDWGGLW-UHFFFAOYSA-N 1 2 483.588 2.877 20 0 JFADLO CCS(=O)(=O)c1cc(C(F)(F)N2CCc3onc(Cn4cc[nH+]c4)c3C2)cnc1Cl ZINC001164677188 719568125 /nfs/dbraw/zinc/56/81/25/719568125.db2.gz VGXLXSCNISTKAM-UHFFFAOYSA-N 1 2 457.890 2.869 20 0 JFADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(c3ccc(CN4CCOCC4)cn3)CC2)cc1 ZINC001164699608 719829914 /nfs/dbraw/zinc/82/99/14/719829914.db2.gz XZISUJGDJAZRCM-UHFFFAOYSA-N 1 2 472.593 2.818 20 0 JFADLO COC[C@H]1CN(c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)Cc2cn(C)nc21 ZINC001164693509 719831880 /nfs/dbraw/zinc/83/18/80/719831880.db2.gz BTOOFTJBBNBYBU-JOCHJYFZSA-N 1 2 460.582 2.523 20 0 JFADLO Cn1nnc2c1[C@H](COCc1cccnc1)CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164694144 719834444 /nfs/dbraw/zinc/83/44/44/719834444.db2.gz FOTBTQNJSRAKMP-QFIPXVFZSA-N 1 2 482.592 2.879 20 0 JFADLO Cn1nnc2c1[C@H](COCc1cccnc1)CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164694144 719834445 /nfs/dbraw/zinc/83/44/45/719834445.db2.gz FOTBTQNJSRAKMP-QFIPXVFZSA-N 1 2 482.592 2.879 20 0 JFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c(Cl)nc(Cl)nc21 ZINC001164697302 719846712 /nfs/dbraw/zinc/84/67/12/719846712.db2.gz CJVGXKQGJGBRQH-YPMLDQLKSA-N 1 2 475.764 2.613 20 0 JFADLO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164703130 719850379 /nfs/dbraw/zinc/85/03/79/719850379.db2.gz PAAGNSOTGMUEEN-MWTRTKDXSA-N 1 2 474.583 2.615 20 0 JFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc(Oc2ccc(F)cc2)n1 ZINC001164702888 719860179 /nfs/dbraw/zinc/86/01/79/719860179.db2.gz OETBVWZTNNOIET-QVKFZJNVSA-N 1 2 465.913 2.689 20 0 JFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)Cc1nc(Cl)cc(Cl)n1 ZINC001164703785 719864879 /nfs/dbraw/zinc/86/48/79/719864879.db2.gz KLQSALKAHGTIKV-SJKOYZFVSA-N 1 2 453.317 2.647 20 0 JFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)Cc1nc(Cl)cc(Cl)n1 ZINC001164703784 719865031 /nfs/dbraw/zinc/86/50/31/719865031.db2.gz KLQSALKAHGTIKV-SJCJKPOMSA-N 1 2 453.317 2.647 20 0 JFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc3c(c2)OCCCO3)nn1 ZINC001164700628 719872174 /nfs/dbraw/zinc/87/21/74/719872174.db2.gz FDUNFOLRBKUDSU-DFBJGRDBSA-N 1 2 468.554 2.538 20 0 JFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(Oc2ccc(OC)cc2)nc(C)n1 ZINC001164707851 719876359 /nfs/dbraw/zinc/87/63/59/719876359.db2.gz WDWMTOWTGYSOPK-HOYKHHGWSA-N 1 2 456.543 2.819 20 0 JFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)COC(=O)Nc1cccnc1Cl ZINC001164708215 719877249 /nfs/dbraw/zinc/87/72/49/719877249.db2.gz YQTGWRFPLDNCFR-LIRRHRJNSA-N 1 2 476.908 2.605 20 0 JFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cncc(OCc2cccc(Cl)c2)n1 ZINC001164700485 719877301 /nfs/dbraw/zinc/87/73/01/719877301.db2.gz DQECRHVLCKYGAL-CVDCTZTESA-N 1 2 460.962 2.942 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(-c3ccccc3)nc3ccccc31)CC2 ZINC001164708689 719903468 /nfs/dbraw/zinc/90/34/68/719903468.db2.gz HEVJFAVKMGDGCG-UHFFFAOYSA-N 1 2 467.577 2.981 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)nc3cc(Cl)ccc31)CC2 ZINC001164709336 719907596 /nfs/dbraw/zinc/90/75/96/719907596.db2.gz SVCBZESZAGXMBV-UHFFFAOYSA-N 1 2 460.369 2.620 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(C(C)(C)C)nc(C(C)(C)C)n1)CC2 ZINC001164709065 719921683 /nfs/dbraw/zinc/92/16/83/719921683.db2.gz XFHJZURXONEQGD-UHFFFAOYSA-N 1 2 453.635 2.755 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(-c3ccc(Cl)nn3)ccc1F)CC2 ZINC001164708611 719927986 /nfs/dbraw/zinc/92/79/86/719927986.db2.gz NCMSWBGRDQRCQT-UHFFFAOYSA-N 1 2 469.952 2.620 20 0 JFADLO Cc1nc(-c2ccccc2)nc(Cl)c1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708867 719928614 /nfs/dbraw/zinc/92/86/14/719928614.db2.gz USPPWXPONKVSLV-UHFFFAOYSA-N 1 2 465.989 2.789 20 0 JFADLO Cc1cccc(Oc2nc(Cl)ncc2N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1 ZINC001164708967 719936216 /nfs/dbraw/zinc/93/62/16/719936216.db2.gz VSAFSVYWBDGRBR-UHFFFAOYSA-N 1 2 481.988 2.915 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)cc(C3CCCCC3)n1)CC2 ZINC001164708308 719937287 /nfs/dbraw/zinc/93/72/87/719937287.db2.gz IKDKYRJBPOPALO-UHFFFAOYSA-N 1 2 458.010 2.862 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cnc(Cl)nc1Oc1ccccc1)CC2 ZINC001164709133 719937623 /nfs/dbraw/zinc/93/76/23/719937623.db2.gz YXCNHCHCPNTYTJ-UHFFFAOYSA-N 1 2 467.961 2.606 20 0 JFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3ccc(F)cc3)C2)C1 ZINC001164721255 720288799 /nfs/dbraw/zinc/28/87/99/720288799.db2.gz IPGHIKOCRYCCQC-QFIPXVFZSA-N 1 2 463.941 2.726 20 0 JFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3ccc(F)cc3)C2)C1 ZINC001164721255 720288804 /nfs/dbraw/zinc/28/88/04/720288804.db2.gz IPGHIKOCRYCCQC-QFIPXVFZSA-N 1 2 463.941 2.726 20 0 JFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3ccc(C)cc3)C2)C1 ZINC001164723375 720307339 /nfs/dbraw/zinc/30/73/39/720307339.db2.gz OIOFKUHOHXGDIE-QHCPKHFHSA-N 1 2 459.978 2.896 20 0 JFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3ccc(C)cc3)C2)C1 ZINC001164723375 720307347 /nfs/dbraw/zinc/30/73/47/720307347.db2.gz OIOFKUHOHXGDIE-QHCPKHFHSA-N 1 2 459.978 2.896 20 0 JFADLO COC(=O)c1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)ncc1Cl ZINC001164826475 720360127 /nfs/dbraw/zinc/36/01/27/720360127.db2.gz VNQNCTPUYCTWNN-UHFFFAOYSA-N 1 2 463.991 2.600 20 0 JFADLO COC(=O)c1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)ncc1Cl ZINC001164826475 720360132 /nfs/dbraw/zinc/36/01/32/720360132.db2.gz VNQNCTPUYCTWNN-UHFFFAOYSA-N 1 2 463.991 2.600 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(NC(=O)OC(C)(C)C)ncn4)CC3)C2=O)cs1 ZINC001164825560 720363270 /nfs/dbraw/zinc/36/32/70/720363270.db2.gz QZQSUIGCNJFJQJ-UHFFFAOYSA-N 1 2 487.630 2.902 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(NC(=O)OC(C)(C)C)ncn4)CC3)C2=O)cs1 ZINC001164825560 720363281 /nfs/dbraw/zinc/36/32/81/720363281.db2.gz QZQSUIGCNJFJQJ-UHFFFAOYSA-N 1 2 487.630 2.902 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN([C@H](F)Oc4ccc(Cl)nc4)CC3)C2=O)cs1 ZINC001164819704 720369268 /nfs/dbraw/zinc/36/92/68/720369268.db2.gz GOPGYXSBNHIQQS-IBGZPJMESA-N 1 2 453.971 2.941 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN([C@H](F)Oc4ccc(Cl)nc4)CC3)C2=O)cs1 ZINC001164819704 720369275 /nfs/dbraw/zinc/36/92/75/720369275.db2.gz GOPGYXSBNHIQQS-IBGZPJMESA-N 1 2 453.971 2.941 20 0 JFADLO CCOC(=O)c1c(C)cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CCN3C)[nH+]c1C ZINC001164821146 720373216 /nfs/dbraw/zinc/37/32/16/720373216.db2.gz XPTHVPSEAVPCMQ-UHFFFAOYSA-N 1 2 471.627 2.953 20 0 JFADLO COc1nc(-c2ccccc2)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164819204 720373469 /nfs/dbraw/zinc/37/34/69/720373469.db2.gz ABBSMJPUXXMBEJ-UHFFFAOYSA-N 1 2 479.610 2.625 20 0 JFADLO COc1nc(-c2ccccc2)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164819204 720373475 /nfs/dbraw/zinc/37/34/75/720373475.db2.gz ABBSMJPUXXMBEJ-UHFFFAOYSA-N 1 2 479.610 2.625 20 0 JFADLO COc1cc(OC)c2ncnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)c2c1 ZINC001164825167 720386082 /nfs/dbraw/zinc/38/60/82/720386082.db2.gz UGLRZIGRMCTGKY-UHFFFAOYSA-N 1 2 482.610 2.725 20 0 JFADLO COc1cc(OC)c2ncnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)c2c1 ZINC001164825167 720386088 /nfs/dbraw/zinc/38/60/88/720386088.db2.gz UGLRZIGRMCTGKY-UHFFFAOYSA-N 1 2 482.610 2.725 20 0 JFADLO Cc1sc2nc(C)nc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c2c1C ZINC001164826468 720449806 /nfs/dbraw/zinc/44/98/06/720449806.db2.gz XILPCNCZTNVGDZ-SFHVURJKSA-N 1 2 456.616 2.803 20 0 JFADLO CCOC(=O)c1cc2ccccc2nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164832292 720462162 /nfs/dbraw/zinc/46/21/62/720462162.db2.gz STJGLXWRAYBSFT-HXUWFJFHSA-N 1 2 479.581 2.598 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)C2 ZINC001164829153 720466337 /nfs/dbraw/zinc/46/63/37/720466337.db2.gz CSOHZUHVWURQDZ-INIZCTEOSA-N 1 2 480.947 2.947 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc3ccccc3nc1N1CCCCC1)C2 ZINC001164830770 720469184 /nfs/dbraw/zinc/46/91/84/720469184.db2.gz LVORZZIBEJIJNL-NRFANRHFSA-N 1 2 491.640 2.806 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3c(Cl)nccc31)C2 ZINC001164832717 720469605 /nfs/dbraw/zinc/46/96/05/720469605.db2.gz WDKIIZZFOORFIW-CQSZACIVSA-N 1 2 478.384 2.518 20 0 JFADLO Cc1nc2sc3c(c2c(N2Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C2)n1)CCC3 ZINC001164833101 720470934 /nfs/dbraw/zinc/47/09/34/720470934.db2.gz YNBYZAKJEZJKRR-QGZVFWFLSA-N 1 2 468.627 2.675 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(-c3ccccn3)nc3ccccc31)C2 ZINC001164828903 720470951 /nfs/dbraw/zinc/47/09/51/720470951.db2.gz CCULQNKKXIAFEJ-HXUWFJFHSA-N 1 2 485.592 2.878 20 0 JFADLO Cc1nc2sc3c(c2c(N2Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C2)n1)CCC3 ZINC001164833099 720471728 /nfs/dbraw/zinc/47/17/28/720471728.db2.gz YNBYZAKJEZJKRR-KRWDZBQOSA-N 1 2 468.627 2.675 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc3nc(Cl)cnc3cc1F)C2 ZINC001164832316 720474159 /nfs/dbraw/zinc/47/41/59/720474159.db2.gz UCLVFOVBIRITTM-OAHLLOKOSA-N 1 2 460.941 2.608 20 0 JFADLO Cc1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc(-c2cccs2)n1 ZINC001164832651 720474645 /nfs/dbraw/zinc/47/46/45/720474645.db2.gz VAHFCEIBYQAAOR-GOSISDBHSA-N 1 2 454.600 2.700 20 0 JFADLO CCc1ccc(-c2ccc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nn2)cc1 ZINC001164833123 720474945 /nfs/dbraw/zinc/47/49/45/720474945.db2.gz YPXWUDDESCCQIN-QFIPXVFZSA-N 1 2 462.598 2.892 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nnc(Cl)c3ccc(F)cc31)C2 ZINC001164830435 720476487 /nfs/dbraw/zinc/47/64/87/720476487.db2.gz BQVGWBAFVCRRIS-HNNXBMFYSA-N 1 2 460.941 2.608 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccnc(CSc3ccccc3)n1)C2 ZINC001164834547 720480591 /nfs/dbraw/zinc/48/05/91/720480591.db2.gz UINGFFBMUWEXJT-FQEVSTJZSA-N 1 2 480.638 2.955 20 0 JFADLO Cc1cnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1-c1ccccc1F ZINC001164830991 720481326 /nfs/dbraw/zinc/48/13/26/720481326.db2.gz DPGQLQUETMTCLL-LJQANCHMSA-N 1 2 466.561 2.777 20 0 JFADLO COC[C@@]12CCC[C@H]1CN(c1nc3cc(C[NH+]4CCN(C)CC4)sc3c(N3CCOCC3)n1)C2 ZINC001164845482 720790044 /nfs/dbraw/zinc/79/00/44/720790044.db2.gz GKJAFCWRVQYNFX-DFBJGRDBSA-N 1 2 486.686 2.528 20 0 JFADLO COC[C@@]12CCC[C@@H]1CN(c1nc3cc(C[NH+]4CCN(C)CC4)sc3c(N3CCOCC3)n1)C2 ZINC001164845481 720790277 /nfs/dbraw/zinc/79/02/77/720790277.db2.gz GKJAFCWRVQYNFX-CLOONOSVSA-N 1 2 486.686 2.528 20 0 JFADLO O=C(NCCc1ccccc1)[C@]12COC[C@@H]1CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164852054 720815749 /nfs/dbraw/zinc/81/57/49/720815749.db2.gz MOJWKOBWDQRKHX-PWUYWRBVSA-N 1 2 483.616 2.847 20 0 JFADLO O=C(NCCc1ccccc1)[C@]12COC[C@@H]1CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164852054 720815755 /nfs/dbraw/zinc/81/57/55/720815755.db2.gz MOJWKOBWDQRKHX-PWUYWRBVSA-N 1 2 483.616 2.847 20 0 JFADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)C2 ZINC001164858748 720896125 /nfs/dbraw/zinc/89/61/25/720896125.db2.gz OQIKYBKOKXZZRX-UHFFFAOYSA-N 1 2 456.284 2.626 20 0 JFADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)C2 ZINC001164855889 720896816 /nfs/dbraw/zinc/89/68/16/720896816.db2.gz DAOJRWNGRANVQF-UHFFFAOYSA-N 1 2 478.916 2.582 20 0 JFADLO Cn1cccc1C(=O)N[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@H]2CCCO[C@@H]12 ZINC001164764058 721063151 /nfs/dbraw/zinc/06/31/51/721063151.db2.gz ATWREPCPFDSVRI-CUYJMHBOSA-N 1 2 472.593 2.540 20 0 JFADLO Cn1cccc1C(=O)N[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@H]2CCCO[C@@H]12 ZINC001164764058 721063156 /nfs/dbraw/zinc/06/31/56/721063156.db2.gz ATWREPCPFDSVRI-CUYJMHBOSA-N 1 2 472.593 2.540 20 0 JFADLO O=S(=O)(c1ccccc1)N1C[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]2C1 ZINC001164877686 721306762 /nfs/dbraw/zinc/30/67/62/721306762.db2.gz JJAIWMZBUSGYBX-FGZHOGPDSA-N 1 2 475.618 2.792 20 0 JFADLO O=S(=O)(c1ccccc1)N1C[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]2C1 ZINC001164877686 721306764 /nfs/dbraw/zinc/30/67/64/721306764.db2.gz JJAIWMZBUSGYBX-FGZHOGPDSA-N 1 2 475.618 2.792 20 0 JFADLO CCN1CC[C@]2(CN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)C[C@H]2C)C1=O ZINC001164777894 721319536 /nfs/dbraw/zinc/31/95/36/721319536.db2.gz MLHTZXSVNHDPDN-JIPXPUAJSA-N 1 2 461.610 2.734 20 0 JFADLO CS(=O)(=O)N1CCCC[C@@]12CCCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164883905 721374642 /nfs/dbraw/zinc/37/46/42/721374642.db2.gz AHEWEZYQBZSHQC-DEOSSOPVSA-N 1 2 455.628 2.819 20 0 JFADLO CS(=O)(=O)N1CCCC[C@@]12CCCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164883905 721374646 /nfs/dbraw/zinc/37/46/46/721374646.db2.gz AHEWEZYQBZSHQC-DEOSSOPVSA-N 1 2 455.628 2.819 20 0 JFADLO CS(=O)(=O)N1CCCC[C@]12CCCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164883910 721374881 /nfs/dbraw/zinc/37/48/81/721374881.db2.gz AHEWEZYQBZSHQC-XMMPIXPASA-N 1 2 455.628 2.819 20 0 JFADLO CS(=O)(=O)N1CCCC[C@]12CCCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164883910 721374885 /nfs/dbraw/zinc/37/48/85/721374885.db2.gz AHEWEZYQBZSHQC-XMMPIXPASA-N 1 2 455.628 2.819 20 0 JFADLO O=C1CO[C@@]2(CN1c1ccsc1)COCCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164796079 721593845 /nfs/dbraw/zinc/59/38/45/721593845.db2.gz BOJSCKSVCSTMMK-SANMLTNESA-N 1 2 491.617 2.735 20 0 JFADLO O=C1CO[C@@]2(CN1c1ccsc1)COCCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164796079 721593848 /nfs/dbraw/zinc/59/38/48/721593848.db2.gz BOJSCKSVCSTMMK-SANMLTNESA-N 1 2 491.617 2.735 20 0 JFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nccc(-c3cnc(N4CCCCC4)nc3)n1)C2 ZINC001165009882 721706794 /nfs/dbraw/zinc/70/67/94/721706794.db2.gz WVNYSMVAEYFHPY-UHFFFAOYSA-N 1 2 462.606 2.766 20 0 JFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nccc(-c3cnc(N4CCCCC4)nc3)n1)C2 ZINC001165009882 721706801 /nfs/dbraw/zinc/70/68/01/721706801.db2.gz WVNYSMVAEYFHPY-UHFFFAOYSA-N 1 2 462.606 2.766 20 0 JFADLO Cc1sc2nc(CN3CCOCC3)nc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c2c1C ZINC001165008591 721713653 /nfs/dbraw/zinc/71/36/53/721713653.db2.gz HUELPKUREMKCEW-UHFFFAOYSA-N 1 2 484.674 2.982 20 0 JFADLO Cc1sc2nc(CN3CCOCC3)nc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c2c1C ZINC001165008591 721713655 /nfs/dbraw/zinc/71/36/55/721713655.db2.gz HUELPKUREMKCEW-UHFFFAOYSA-N 1 2 484.674 2.982 20 0 JFADLO O=C(c1cccnc1N1C[C@H](OCC2CC2)[C@H]2COC[C@@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC001165015340 721762856 /nfs/dbraw/zinc/76/28/56/721762856.db2.gz OQSSEEBDOIRMJV-SDHOMARFSA-N 1 2 462.594 2.670 20 0 JFADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1ccnc(Cl)c1Cl)CC2 ZINC001165015567 721765537 /nfs/dbraw/zinc/76/55/37/721765537.db2.gz ROPAHKCSAFLQGL-UHFFFAOYSA-N 1 2 470.311 2.856 20 0 JFADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1nc(Cl)c3ccccc3n1)CC2 ZINC001165016396 721765557 /nfs/dbraw/zinc/76/55/57/721765557.db2.gz WIGQRWPTCAEMTD-UHFFFAOYSA-N 1 2 486.914 2.751 20 0 JFADLO CCOC(=O)c1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1C ZINC001164917522 721781938 /nfs/dbraw/zinc/78/19/38/721781938.db2.gz XZIKHKCWGUJHDR-QHCPKHFHSA-N 1 2 460.962 2.723 20 0 JFADLO CCOC(=O)c1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1C ZINC001164917522 721781941 /nfs/dbraw/zinc/78/19/41/721781941.db2.gz XZIKHKCWGUJHDR-QHCPKHFHSA-N 1 2 460.962 2.723 20 0 JFADLO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164917926 721782282 /nfs/dbraw/zinc/78/22/82/721782282.db2.gz ZZWKAPPYFFNBBA-JOCHJYFZSA-N 1 2 494.017 2.531 20 0 JFADLO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164917926 721782287 /nfs/dbraw/zinc/78/22/87/721782287.db2.gz ZZWKAPPYFFNBBA-JOCHJYFZSA-N 1 2 494.017 2.531 20 0 JFADLO Fc1cccc(Oc2nc(Cl)nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)c1 ZINC001164917062 721788525 /nfs/dbraw/zinc/78/85/25/721788525.db2.gz WHFZJWPYBGNLPW-QHCPKHFHSA-N 1 2 486.935 2.959 20 0 JFADLO Fc1cccc(Oc2nc(Cl)nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)c1 ZINC001164917062 721788528 /nfs/dbraw/zinc/78/85/28/721788528.db2.gz WHFZJWPYBGNLPW-QHCPKHFHSA-N 1 2 486.935 2.959 20 0 JFADLO CN(C)c1ccc(-c2ccnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164914842 721791209 /nfs/dbraw/zinc/79/12/09/721791209.db2.gz GCZYLVPLTRXSIU-AREMUKBSSA-N 1 2 460.582 2.712 20 0 JFADLO CN(C)c1ccc(-c2ccnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164914842 721791212 /nfs/dbraw/zinc/79/12/12/721791212.db2.gz GCZYLVPLTRXSIU-AREMUKBSSA-N 1 2 460.582 2.712 20 0 JFADLO COc1ccc(-c2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)c(OC)c1 ZINC001164913240 721796979 /nfs/dbraw/zinc/79/69/79/721796979.db2.gz BPLFVTJNRPQUFL-AREMUKBSSA-N 1 2 477.565 2.664 20 0 JFADLO COc1ccc(-c2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)c(OC)c1 ZINC001164913240 721796981 /nfs/dbraw/zinc/79/69/81/721796981.db2.gz BPLFVTJNRPQUFL-AREMUKBSSA-N 1 2 477.565 2.664 20 0 JFADLO c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4nc(-c5cccnc5)nc5c4CCC5)CCO3)C2)c1 ZINC001164914317 721797580 /nfs/dbraw/zinc/79/75/80/721797580.db2.gz LPVKLIMWNMYWLY-SANMLTNESA-N 1 2 458.566 2.530 20 0 JFADLO c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4nc(-c5cccnc5)nc5c4CCC5)CCO3)C2)c1 ZINC001164914317 721797585 /nfs/dbraw/zinc/79/75/85/721797585.db2.gz LPVKLIMWNMYWLY-SANMLTNESA-N 1 2 458.566 2.530 20 0 JFADLO Cc1nc(C)c(-c2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)s1 ZINC001164913917 721798329 /nfs/dbraw/zinc/79/83/29/721798329.db2.gz IVYKDKYQLSRBPE-HSZRJFAPSA-N 1 2 452.584 2.720 20 0 JFADLO Cc1nc(C)c(-c2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)s1 ZINC001164913917 721798330 /nfs/dbraw/zinc/79/83/30/721798330.db2.gz IVYKDKYQLSRBPE-HSZRJFAPSA-N 1 2 452.584 2.720 20 0 JFADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2c(Cl)nc(N3CCOCC3)nc2Cl)CC1 ZINC001164918942 721816697 /nfs/dbraw/zinc/81/66/97/721816697.db2.gz XOCHXUCXYBFHHC-UHFFFAOYSA-N 1 2 452.390 2.566 20 0 JFADLO Cc1cnc2n1CCN(C)C21CCN(c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001164918342 721817173 /nfs/dbraw/zinc/81/71/73/721817173.db2.gz OVYCKFUZTUAZHY-UHFFFAOYSA-N 1 2 499.663 2.986 20 0 JFADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(-c3ccc(N4CCOCC4)cc3)nn2)CC1 ZINC001164918103 721820649 /nfs/dbraw/zinc/82/06/49/721820649.db2.gz BLGCEMQXIXYJPY-UHFFFAOYSA-N 1 2 459.598 2.926 20 0 JFADLO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1cc(NS(=O)(=O)c2ccc(Cl)nc2)ccc1F ZINC001164931012 721883950 /nfs/dbraw/zinc/88/39/50/721883950.db2.gz DZHOCZZUTQRIAP-MOPGFXCFSA-N 1 2 467.998 2.890 20 0 JFADLO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1cc(NS(=O)(=O)c2ccc(Cl)nc2)ccc1F ZINC001164931012 721883951 /nfs/dbraw/zinc/88/39/51/721883951.db2.gz DZHOCZZUTQRIAP-MOPGFXCFSA-N 1 2 467.998 2.890 20 0 JFADLO O=C(C[C@@H]1OC[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC[C@@H]12)NC1CCC1 ZINC001164932731 721895347 /nfs/dbraw/zinc/89/53/47/721895347.db2.gz IBIZBYVURJGHJK-HOKHCIIBSA-N 1 2 461.610 2.935 20 0 JFADLO O=C(C[C@@H]1OC[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC[C@@H]12)NC1CCC1 ZINC001164932731 721895349 /nfs/dbraw/zinc/89/53/49/721895349.db2.gz IBIZBYVURJGHJK-HOKHCIIBSA-N 1 2 461.610 2.935 20 0 JFADLO COC(=O)C[C@H](c1cc[nH+]c(N2CCC3(CC2)COCCN3Cc2ccn(C)n2)c1)C1CC1 ZINC001164936228 721907871 /nfs/dbraw/zinc/90/78/71/721907871.db2.gz NNGKCHZVPDDMFJ-QFIPXVFZSA-N 1 2 453.587 2.743 20 0 JFADLO CC(C)(C)OC(=O)Nc1nccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164945789 721971868 /nfs/dbraw/zinc/97/18/68/721971868.db2.gz SBBIQEWJZPIVFJ-UHFFFAOYSA-N 1 2 452.559 2.795 20 0 JFADLO CC(C)(C)OC(=O)Nc1nccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164945789 721971871 /nfs/dbraw/zinc/97/18/71/721971871.db2.gz SBBIQEWJZPIVFJ-UHFFFAOYSA-N 1 2 452.559 2.795 20 0 JFADLO CN(C)c1nc(-c2ccccc2)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164947654 721975862 /nfs/dbraw/zinc/97/58/62/721975862.db2.gz PUYSZXGXDDKXBG-UHFFFAOYSA-N 1 2 457.582 2.576 20 0 JFADLO CN(C)c1nc(-c2ccccc2)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164947654 721975865 /nfs/dbraw/zinc/97/58/65/721975865.db2.gz PUYSZXGXDDKXBG-UHFFFAOYSA-N 1 2 457.582 2.576 20 0 JFADLO CCC(C)(C)NS(=O)(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1 ZINC001164949875 721979064 /nfs/dbraw/zinc/97/90/64/721979064.db2.gz QZEQTUMQEFENAM-UHFFFAOYSA-N 1 2 485.654 2.520 20 0 JFADLO CCC(C)(C)NS(=O)(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1 ZINC001164949875 721979067 /nfs/dbraw/zinc/97/90/67/721979067.db2.gz QZEQTUMQEFENAM-UHFFFAOYSA-N 1 2 485.654 2.520 20 0 JFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(-c3ccncc3)nc3c1CCC3)CC2 ZINC001164949988 721980281 /nfs/dbraw/zinc/98/02/81/721980281.db2.gz SAFYBZAVBVRXDP-UHFFFAOYSA-N 1 2 454.578 2.998 20 0 JFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(-c3ccncc3)nc3c1CCC3)CC2 ZINC001164949988 721980283 /nfs/dbraw/zinc/98/02/83/721980283.db2.gz SAFYBZAVBVRXDP-UHFFFAOYSA-N 1 2 454.578 2.998 20 0 JFADLO O=C1COC2(CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC2)CN1Cc1cccnc1 ZINC001164953545 722002563 /nfs/dbraw/zinc/00/25/63/722002563.db2.gz YZDDDHYHNHIRAE-UHFFFAOYSA-N 1 2 484.604 2.828 20 0 JFADLO O=C1COC2(CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC2)CN1Cc1cccnc1 ZINC001164953545 722002566 /nfs/dbraw/zinc/00/25/66/722002566.db2.gz YZDDDHYHNHIRAE-UHFFFAOYSA-N 1 2 484.604 2.828 20 0 JFADLO O=C(c1ccco1)N1CC[C@H]2CN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)C[C@H]21 ZINC001164959253 722047623 /nfs/dbraw/zinc/04/76/23/722047623.db2.gz QKXGAHWGESHVII-LADGPHEKSA-N 1 2 485.588 2.984 20 0 JFADLO CS(=O)(=O)c1ccc(Cl)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164960740 722058924 /nfs/dbraw/zinc/05/89/24/722058924.db2.gz KEWZDPWRWCUNHE-UHFFFAOYSA-N 1 2 450.992 2.653 20 0 JFADLO CS(=O)(=O)c1ccc(Cl)nc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164960740 722058926 /nfs/dbraw/zinc/05/89/26/722058926.db2.gz KEWZDPWRWCUNHE-UHFFFAOYSA-N 1 2 450.992 2.653 20 0 JFADLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(-c5cc6c([nH]5)CCNC6=O)cc[nH+]4)CC[C@@H]32)cs1 ZINC001164989216 722181065 /nfs/dbraw/zinc/18/10/65/722181065.db2.gz LMBZGIFZPOOVFA-XZOQPEGZSA-N 1 2 478.622 2.997 20 0 JFADLO C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)cc2)C1 ZINC001264302286 1059564420 /nfs/dbraw/zinc/56/44/20/1059564420.db2.gz VGPUJBXMDRTFSC-XXBNENTESA-N 1 2 457.596 2.947 20 0 JFADLO C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)cc2)C1 ZINC001264302286 1059564433 /nfs/dbraw/zinc/56/44/33/1059564433.db2.gz VGPUJBXMDRTFSC-XXBNENTESA-N 1 2 457.596 2.947 20 0 JFADLO C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)cc2)C1 ZINC001264302284 1059564553 /nfs/dbraw/zinc/56/45/53/1059564553.db2.gz VGPUJBXMDRTFSC-CVDCTZTESA-N 1 2 457.596 2.947 20 0 JFADLO C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)cc2)C1 ZINC001264302284 1059564572 /nfs/dbraw/zinc/56/45/72/1059564572.db2.gz VGPUJBXMDRTFSC-CVDCTZTESA-N 1 2 457.596 2.947 20 0 JFADLO Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC001264341927 1059576457 /nfs/dbraw/zinc/57/64/57/1059576457.db2.gz FWEQEAZNKZHUIB-UHFFFAOYSA-N 1 2 456.547 2.600 20 0 JFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O ZINC001264350857 1059582038 /nfs/dbraw/zinc/58/20/38/1059582038.db2.gz KMVBRYPHBJXJPR-CNHKJKLMSA-N 1 2 457.462 2.871 20 0 JFADLO COC(=O)c1c[nH]c(=O)c(NC(=O)C[N@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)c1 ZINC001264598026 1059624199 /nfs/dbraw/zinc/62/41/99/1059624199.db2.gz DCAAGGZWBQGWKC-UHFFFAOYSA-N 1 2 458.515 2.539 20 0 JFADLO COC(=O)c1c[nH]c(=O)c(NC(=O)C[N@@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)c1 ZINC001264598026 1059624210 /nfs/dbraw/zinc/62/42/10/1059624210.db2.gz DCAAGGZWBQGWKC-UHFFFAOYSA-N 1 2 458.515 2.539 20 0 JFADLO CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC001264831935 1059699969 /nfs/dbraw/zinc/69/99/69/1059699969.db2.gz PHJNJUWTJXFDQA-FQEVSTJZSA-N 1 2 456.612 2.550 20 0 JFADLO COc1ccc(C(=O)N(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)cc1N1CCNC1=O ZINC001264924353 1059729106 /nfs/dbraw/zinc/72/91/06/1059729106.db2.gz NQPDHEXLXOATJY-LJQANCHMSA-N 1 2 452.555 2.588 20 0 JFADLO C[C@H](CSCc1ccccc1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001265019351 1059753335 /nfs/dbraw/zinc/75/33/35/1059753335.db2.gz VDILUQCPJILJPG-CTNGQTDRSA-N 1 2 455.628 2.968 20 0 JFADLO C[C@H](CSCc1ccccc1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001265019351 1059753357 /nfs/dbraw/zinc/75/33/57/1059753357.db2.gz VDILUQCPJILJPG-CTNGQTDRSA-N 1 2 455.628 2.968 20 0 JFADLO O=C(Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC001265131734 1059774618 /nfs/dbraw/zinc/77/46/18/1059774618.db2.gz JJZJRYHQAQKGEM-UHFFFAOYSA-N 1 2 452.433 2.536 20 0 JFADLO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cc(C[NH+]4CCOCC4)ccc3C)C2=O)cc1 ZINC001265309643 1059822519 /nfs/dbraw/zinc/82/25/19/1059822519.db2.gz XGFPHMBXASVEJN-RUZDIDTESA-N 1 2 450.539 2.541 20 0 JFADLO CC(=O)N1CC[C@@H](CN(C)c2nnc(CCc3ccccc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001286849283 1061170764 /nfs/dbraw/zinc/17/07/64/1061170764.db2.gz MDGOGYGEDFICPI-QHCPKHFHSA-N 1 2 461.614 2.877 20 0 JFADLO Cc1ccc(-c2nnc(N3CC[NH+](CC(=O)N4CCCC[C@H]4C)CC3)n2CCCNC(=O)C(C)C)o1 ZINC001289599814 1061243695 /nfs/dbraw/zinc/24/36/95/1061243695.db2.gz GGKWJXPOWGKHOX-HXUWFJFHSA-N 1 2 499.660 2.532 20 0 JFADLO Cc1ccc([C@@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)[nH+]c2)o1 ZINC001289620046 1061259158 /nfs/dbraw/zinc/25/91/58/1061259158.db2.gz XENPDWQPIUJYKT-WMZOPIPTSA-N 1 2 473.603 2.641 20 0 JFADLO Cc1ccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCOC[C@@H]2C)o1 ZINC001289651286 1061275115 /nfs/dbraw/zinc/27/51/15/1061275115.db2.gz LBZPPBUXRIUNNC-INIZCTEOSA-N 1 2 458.588 2.528 20 0 JFADLO Cc1ccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCOC[C@@H]2C)o1 ZINC001289651286 1061275132 /nfs/dbraw/zinc/27/51/32/1061275132.db2.gz LBZPPBUXRIUNNC-INIZCTEOSA-N 1 2 458.588 2.528 20 0 JFADLO CC(C)(C)OC(=O)NCCc1ccc2c(c1)CCCN2C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001289668725 1061289095 /nfs/dbraw/zinc/28/90/95/1061289095.db2.gz XOJFWPUBTBKYHG-GGAORHGYSA-N 1 2 473.614 2.913 20 0 JFADLO CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)[C@@H](C)C1 ZINC001286882112 1061308750 /nfs/dbraw/zinc/30/87/50/1061308750.db2.gz AGEMVJJJBZDGJW-HTAPYJJXSA-N 1 2 483.567 2.902 20 0 JFADLO CC(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)[C@@H](C)C1 ZINC001286883762 1061315253 /nfs/dbraw/zinc/31/52/53/1061315253.db2.gz PIZKCRUDLVOUBD-QFIPXVFZSA-N 1 2 497.688 2.557 20 0 JFADLO CC(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[N@H+]2CCN(C)C(C)(C)C2)[C@@H](C)C1 ZINC001286883762 1061315269 /nfs/dbraw/zinc/31/52/69/1061315269.db2.gz PIZKCRUDLVOUBD-QFIPXVFZSA-N 1 2 497.688 2.557 20 0 JFADLO Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CCCc3cccc(C)[nH+]3)CC2=O)cc1 ZINC001289715221 1061323125 /nfs/dbraw/zinc/32/31/25/1061323125.db2.gz UJENSVZUPIDKSU-UHFFFAOYSA-N 1 2 475.597 2.914 20 0 JFADLO Cc1ccc(NC(=O)c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H]2CCSC2)cc1C ZINC001289726160 1061334437 /nfs/dbraw/zinc/33/44/37/1061334437.db2.gz FOJSKICLDGWJSJ-IBGZPJMESA-N 1 2 458.632 2.669 20 0 JFADLO Cc1ccc(NC(=O)c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@](C)(O)c2ccsc2)cc1C ZINC001289726523 1061335341 /nfs/dbraw/zinc/33/53/41/1061335341.db2.gz JLNDCWSZMBVSSN-VWLOTQADSA-N 1 2 498.653 2.885 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N2Cc3cc(Br)ccc3[C@H](C)C2)CC1 ZINC001286888541 1061341983 /nfs/dbraw/zinc/34/19/83/1061341983.db2.gz BOPTXLKKJBOIET-OAHLLOKOSA-N 1 2 461.408 2.637 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Br)s3)nnc2N2CC=CCC2)CC1 ZINC001286888582 1061342131 /nfs/dbraw/zinc/34/21/31/1061342131.db2.gz DGNVTTCAYGTRDM-UHFFFAOYSA-N 1 2 465.421 2.700 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cn3ccc4ccccc43)nnc2N(C)CCC(F)F)CC1 ZINC001286888945 1061344967 /nfs/dbraw/zinc/34/49/67/1061344967.db2.gz DGWPMYIHGQHTKT-UHFFFAOYSA-N 1 2 459.545 2.537 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(N(C)[C@H](C)c3ccccc3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001286889196 1061346273 /nfs/dbraw/zinc/34/62/73/1061346273.db2.gz GBLQBNBBNGFNON-RLWLMLJZSA-N 1 2 484.645 2.680 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3ccccc3F)nnc2N2CC[C@H](C)[C@H]2C)CC1 ZINC001286889302 1061347371 /nfs/dbraw/zinc/34/73/71/1061347371.db2.gz IWRMMXOKJDNWDU-OTWHNJEPSA-N 1 2 458.582 2.956 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3c(F)cccc3F)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001286889390 1061348190 /nfs/dbraw/zinc/34/81/90/1061348190.db2.gz FKMCKULJECTJDU-QFIPXVFZSA-N 1 2 492.640 2.889 20 0 JFADLO CC(=O)N1CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)[C@@H](C)C1 ZINC001286889543 1061349133 /nfs/dbraw/zinc/34/91/33/1061349133.db2.gz UGISJVTZPIXAAI-KRWDZBQOSA-N 1 2 467.549 2.563 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cn3nc(C)cc3C)nnc2N(CC(C)C)C2CCCC2)CC1 ZINC001286889937 1061352765 /nfs/dbraw/zinc/35/27/65/1061352765.db2.gz NTTGJWJSGMARCD-UHFFFAOYSA-N 1 2 470.666 2.709 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C)cc3)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001286890129 1061352899 /nfs/dbraw/zinc/35/28/99/1061352899.db2.gz OLLXDQPEZTZNQX-UHFFFAOYSA-N 1 2 476.572 2.811 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCCOC3)nnc2N(C)CCCOc2ccccc2C)CC1 ZINC001286890361 1061353942 /nfs/dbraw/zinc/35/39/42/1061353942.db2.gz PIOZUIYYPJOYFH-HSZRJFAPSA-N 1 2 484.645 2.550 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3cc(C)ccc3C)nnc2N(C)CCOC(C)(C)C)CC1 ZINC001286890405 1061354417 /nfs/dbraw/zinc/35/44/17/1061354417.db2.gz QRAMWZMHZQUQDC-UHFFFAOYSA-N 1 2 486.661 2.889 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)CC(C)C)CC1 ZINC001286890479 1061354777 /nfs/dbraw/zinc/35/47/77/1061354777.db2.gz QWZLZJXVZHTAHK-UHFFFAOYSA-N 1 2 491.681 2.649 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3cc(C)ccc3C)nnc2N2CCC=C(C)C2)CC1 ZINC001286890494 1061354849 /nfs/dbraw/zinc/35/48/49/1061354849.db2.gz RNPCNVLEPYAKGQ-UHFFFAOYSA-N 1 2 452.603 2.794 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3cccnc3)nnc2N(C)[C@H](C)c2ccccc2C)CC1 ZINC001286890645 1061356074 /nfs/dbraw/zinc/35/60/74/1061356074.db2.gz SBCMVBCTBOHPQS-OAQYLSRUSA-N 1 2 461.614 2.934 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2ccc(Cl)s2)CC1 ZINC001286890941 1061357467 /nfs/dbraw/zinc/35/74/67/1061357467.db2.gz WJEKRXJHMNQQKF-UHFFFAOYSA-N 1 2 491.065 2.655 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCCOC3)nnc2N(C)[C@H](C)c2ccccc2F)CC1 ZINC001286890965 1061357503 /nfs/dbraw/zinc/35/75/03/1061357503.db2.gz VHGBPIZIENWRGY-UYAOXDASSA-N 1 2 458.582 2.673 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(CCc3ccccc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 ZINC001286891079 1061358858 /nfs/dbraw/zinc/35/88/58/1061358858.db2.gz ZQPZGCFZQHYVMF-HHHXNRCGSA-N 1 2 482.673 2.869 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCCO3)nnc2N(C)Cc2cc(C)ccc2F)CC1 ZINC001286892662 1061366345 /nfs/dbraw/zinc/36/63/45/1061366345.db2.gz ZIEAFLPFPCJLKC-JOCHJYFZSA-N 1 2 458.582 2.768 20 0 JFADLO Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCNc2cccc[nH+]2)cc1 ZINC001289754590 1061376879 /nfs/dbraw/zinc/37/68/79/1061376879.db2.gz URORITMJIHZUCN-IBGZPJMESA-N 1 2 462.558 2.510 20 0 JFADLO CC(=O)NC1CCC(N(C)c2nnc(C)n2C[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)CC1 ZINC001286901090 1061393691 /nfs/dbraw/zinc/39/36/91/1061393691.db2.gz ARPJSSVTAPANAD-KXTRFFEISA-N 1 2 454.619 2.852 20 0 JFADLO CC(=O)NC1CCC(N(C)c2nnc(C(C)C)n2Cc2ccc[nH+]c2N2CCOCC2)CC1 ZINC001286902171 1061396129 /nfs/dbraw/zinc/39/61/29/1061396129.db2.gz JVTKJDOSJAFDNY-UHFFFAOYSA-N 1 2 455.607 2.565 20 0 JFADLO Cc1ccc(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2CCC(=O)N2CCCCCC2)cc1 ZINC001289788423 1061414513 /nfs/dbraw/zinc/41/45/13/1061414513.db2.gz WKFJKSQAUISDOZ-UHFFFAOYSA-N 1 2 484.645 2.727 20 0 JFADLO CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001286910260 1061456218 /nfs/dbraw/zinc/45/62/18/1061456218.db2.gz RMKVORWOVQLKAW-UTKZUKDTSA-N 1 2 471.556 2.970 20 0 JFADLO CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001286910258 1061456365 /nfs/dbraw/zinc/45/63/65/1061456365.db2.gz RMKVORWOVQLKAW-DYESRHJHSA-N 1 2 471.556 2.970 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCCOCC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1C ZINC001289819324 1061479022 /nfs/dbraw/zinc/47/90/22/1061479022.db2.gz SERZJYVNPRFYLV-UHFFFAOYSA-N 1 2 456.635 2.727 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCCOCC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1C ZINC001289819324 1061479030 /nfs/dbraw/zinc/47/90/30/1061479030.db2.gz SERZJYVNPRFYLV-UHFFFAOYSA-N 1 2 456.635 2.727 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCN(c4cccc[nH+]4)CC3)n2CCCC(=O)N(C)C)cc1 ZINC001289824191 1061489431 /nfs/dbraw/zinc/48/94/31/1061489431.db2.gz GEGKWXXXEWBOGI-UHFFFAOYSA-N 1 2 463.586 2.756 20 0 JFADLO Cc1ccc(SCc2nnc(N3CCS(=O)CC3)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001289876558 1061559991 /nfs/dbraw/zinc/55/99/91/1061559991.db2.gz BIXRGCMBHQMILR-UHFFFAOYSA-N 1 2 456.641 2.957 20 0 JFADLO Cc1cccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CC2([S@](C)=O)CCC2)n1 ZINC001289913008 1061605750 /nfs/dbraw/zinc/60/57/50/1061605750.db2.gz QBVKWBNDJIBZLV-XIFFEERXSA-N 1 2 474.675 2.744 20 0 JFADLO Cc1cccc(-c2nnc(N(CCS(C)(=O)=O)C3CC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001289938668 1061630033 /nfs/dbraw/zinc/63/00/33/1061630033.db2.gz ZNXPVFIFNFGQKS-KDURUIRLSA-N 1 2 490.674 2.550 20 0 JFADLO Cc1cccc(-c2nnc(N(CCS(C)(=O)=O)C3CC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001289938668 1061630041 /nfs/dbraw/zinc/63/00/41/1061630041.db2.gz ZNXPVFIFNFGQKS-KDURUIRLSA-N 1 2 490.674 2.550 20 0 JFADLO Cc1cccc(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CCC(N)=O)CC2)[nH+]1 ZINC001290003138 1061729548 /nfs/dbraw/zinc/72/95/48/1061729548.db2.gz LULDJVIQLRMHFJ-UHFFFAOYSA-N 1 2 476.585 2.744 20 0 JFADLO CC(=O)NCCN(Cc1ccsc1)c1nnc([C@H]2CCCCO2)n1CC[N@@H+]1CCOCC1(C)C ZINC001286959559 1061729588 /nfs/dbraw/zinc/72/95/88/1061729588.db2.gz WFRPRCXGBJPFSY-OAQYLSRUSA-N 1 2 490.674 2.835 20 0 JFADLO CC(=O)NCCN(Cc1ccsc1)c1nnc([C@H]2CCCCO2)n1CC[N@H+]1CCOCC1(C)C ZINC001286959559 1061729603 /nfs/dbraw/zinc/72/96/03/1061729603.db2.gz WFRPRCXGBJPFSY-OAQYLSRUSA-N 1 2 490.674 2.835 20 0 JFADLO Cc1cccc(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C(F)F)C2)[nH+]1 ZINC001290004208 1061730651 /nfs/dbraw/zinc/73/06/51/1061730651.db2.gz YOIXFLORBNZBQC-HZPDHXFCSA-N 1 2 456.563 2.706 20 0 JFADLO Cc1cccc(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCC(C)(C)C2)[nH+]1 ZINC001290009007 1061733147 /nfs/dbraw/zinc/73/31/47/1061733147.db2.gz GNSOMTZDXIRULY-HXUWFJFHSA-N 1 2 476.647 2.574 20 0 JFADLO Cc1cccc(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCC(C)(C)C2)[nH+]1 ZINC001290009006 1061733412 /nfs/dbraw/zinc/73/34/12/1061733412.db2.gz GNSOMTZDXIRULY-FQEVSTJZSA-N 1 2 476.647 2.574 20 0 JFADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(C(C)(C)C)n2CCc2ccc(O)cc2)CC1 ZINC001286971297 1061748826 /nfs/dbraw/zinc/74/88/26/1061748826.db2.gz HOKGFSDDPIYPML-LJQANCHMSA-N 1 2 454.619 2.657 20 0 JFADLO Cc1nn(C)c(C)c1[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1)C(F)(F)F ZINC001294234824 1061750096 /nfs/dbraw/zinc/75/00/96/1061750096.db2.gz HITAOICXOJYKKZ-WMZOPIPTSA-N 1 2 454.497 2.787 20 0 JFADLO Cc1nn(C)c(C)c1[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1)C(F)(F)F ZINC001294234824 1061750121 /nfs/dbraw/zinc/75/01/21/1061750121.db2.gz HITAOICXOJYKKZ-WMZOPIPTSA-N 1 2 454.497 2.787 20 0 JFADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(O)cc2)CC1 ZINC001286972424 1061754159 /nfs/dbraw/zinc/75/41/59/1061754159.db2.gz RPKZBDSZTRYMQA-LJQANCHMSA-N 1 2 454.619 2.754 20 0 JFADLO Cc1cccc(NC2CCN(c3nnc(C(=O)NC(C)C)n3CC[N@@H+]3CCOC(C)(C)C3)CC2)c1 ZINC001290044301 1061760831 /nfs/dbraw/zinc/76/08/31/1061760831.db2.gz KAJIGZMDAOBPHN-UHFFFAOYSA-N 1 2 483.661 2.916 20 0 JFADLO Cc1cccc(NC2CCN(c3nnc(C(=O)NC(C)C)n3CC[N@H+]3CCOC(C)(C)C3)CC2)c1 ZINC001290044301 1061760857 /nfs/dbraw/zinc/76/08/57/1061760857.db2.gz KAJIGZMDAOBPHN-UHFFFAOYSA-N 1 2 483.661 2.916 20 0 JFADLO Cc1cccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CCCNc2cccc[nH+]2)c1 ZINC001290046248 1061764872 /nfs/dbraw/zinc/76/48/72/1061764872.db2.gz DDSIJEMCOSKGQB-IBGZPJMESA-N 1 2 470.599 2.686 20 0 JFADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001286974132 1061766879 /nfs/dbraw/zinc/76/68/79/1061766879.db2.gz AZLBYKWYGKXSNT-ZHALLVOQSA-N 1 2 476.672 2.886 20 0 JFADLO CCCCn1c(COc2ccccc2OC)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001294290470 1061776560 /nfs/dbraw/zinc/77/65/60/1061776560.db2.gz UJQAHASJVYEGGB-FQEVSTJZSA-N 1 2 470.618 2.799 20 0 JFADLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(F)cc2)n1CC[N@H+]1CC=CCC1 ZINC001286976602 1061785704 /nfs/dbraw/zinc/78/57/04/1061785704.db2.gz JIONEQXJKWQCRE-ROUUACIJSA-N 1 2 465.595 2.516 20 0 JFADLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(F)cc2)n1CC[N@@H+]1CC=CCC1 ZINC001286976602 1061785716 /nfs/dbraw/zinc/78/57/16/1061785716.db2.gz JIONEQXJKWQCRE-ROUUACIJSA-N 1 2 465.595 2.516 20 0 JFADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCOC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001286977804 1061794371 /nfs/dbraw/zinc/79/43/71/1061794371.db2.gz SPNGKGYDRGXXOZ-QRKMNUTDSA-N 1 2 481.638 2.872 20 0 JFADLO C[C@H]([C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(N(C)C)[nH+]c1)S(C)(=O)=O ZINC001286979702 1061808549 /nfs/dbraw/zinc/80/85/49/1061808549.db2.gz ZFQSGINSSYJZHG-DLBZAZTESA-N 1 2 474.606 2.775 20 0 JFADLO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@@H]3CCOC3)n2Cc2c[nH+]ccc2OC)C1 ZINC001294329628 1061849291 /nfs/dbraw/zinc/84/92/91/1061849291.db2.gz LNKPSWDEVATCAH-GUDVDZBRSA-N 1 2 456.591 2.755 20 0 JFADLO Cc1ccccc1-c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCCNC(=O)C(C)C ZINC001290128693 1061861062 /nfs/dbraw/zinc/86/10/62/1061861062.db2.gz GEEQFNSPVIPDTA-QFIPXVFZSA-N 1 2 495.672 2.549 20 0 JFADLO CCCCNC(=O)[C@H]1CCCN(c2nnc(C)n2C[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC001294339356 1061884343 /nfs/dbraw/zinc/88/43/43/1061884343.db2.gz ZLDQABJPHIZASI-XZOQPEGZSA-N 1 2 454.619 2.793 20 0 JFADLO Cc1ccccc1Cc1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001290170933 1061914367 /nfs/dbraw/zinc/91/43/67/1061914367.db2.gz MLOPFYIRXDHGIP-QFIPXVFZSA-N 1 2 468.646 2.593 20 0 JFADLO Cc1ccccc1CN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001290185229 1061930437 /nfs/dbraw/zinc/93/04/37/1061930437.db2.gz BQPBCTMIHGUSEI-UHFFFAOYSA-N 1 2 463.586 2.641 20 0 JFADLO Cc1ccccc1OCCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001290201040 1061943215 /nfs/dbraw/zinc/94/32/15/1061943215.db2.gz DFXLNUYJDWUPOK-FQEVSTJZSA-N 1 2 463.586 2.952 20 0 JFADLO CC(C)OCC[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)CC1 ZINC001294397746 1061967489 /nfs/dbraw/zinc/96/74/89/1061967489.db2.gz PCLYNOHQNZSCMQ-WOJBJXKFSA-N 1 2 451.633 2.536 20 0 JFADLO COCCCn1c(=O)c2ccc(C(=O)NCC[N@H+](C)Cc3ccc(F)cc3)cc2[nH]c1=S ZINC001294406787 1061973554 /nfs/dbraw/zinc/97/35/54/1061973554.db2.gz LLCWUYWTJLFGKY-UHFFFAOYSA-N 1 2 458.559 2.723 20 0 JFADLO COCCCn1c(=O)c2ccc(C(=O)NCC[N@@H+](C)Cc3ccc(F)cc3)cc2[nH]c1=S ZINC001294406787 1061973585 /nfs/dbraw/zinc/97/35/85/1061973585.db2.gz LLCWUYWTJLFGKY-UHFFFAOYSA-N 1 2 458.559 2.723 20 0 JFADLO Cc1cccnc1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001290224827 1061973815 /nfs/dbraw/zinc/97/38/15/1061973815.db2.gz YRJXQZWUJAAKAL-QFIPXVFZSA-N 1 2 469.678 2.850 20 0 JFADLO Cc1cccnc1Cn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001290224824 1061973999 /nfs/dbraw/zinc/97/39/99/1061973999.db2.gz YRJXQZWUJAAKAL-JOCHJYFZSA-N 1 2 469.678 2.850 20 0 JFADLO Cc1cn2c([nH+]1)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCc1cccs1)CCC2 ZINC001290286908 1062015802 /nfs/dbraw/zinc/01/58/02/1062015802.db2.gz FJVYVVHOTKMBEW-SJORKVTESA-N 1 2 477.660 2.711 20 0 JFADLO Cc1cn2c([nH+]1)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OC(C)(C)C)CC1)CCC2 ZINC001290287885 1062018068 /nfs/dbraw/zinc/01/80/68/1062018068.db2.gz UMCCMARTEZGQNC-ZWKOTPCHSA-N 1 2 493.678 2.755 20 0 JFADLO Cc1cn2c([nH+]1)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccoc1C)CCC2 ZINC001290287601 1062018265 /nfs/dbraw/zinc/01/82/65/1062018265.db2.gz PPALHNYJWHNQPM-QAPCUYQASA-N 1 2 461.592 2.509 20 0 JFADLO CC(C)(C)[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOC2CCCCCC2)CC1 ZINC001287044077 1062018379 /nfs/dbraw/zinc/01/83/79/1062018379.db2.gz OSDCSGBWENQONB-IBGZPJMESA-N 1 2 467.680 2.840 20 0 JFADLO CC(C)(C)[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)s2)CC1 ZINC001287044658 1062020188 /nfs/dbraw/zinc/02/01/88/1062020188.db2.gz VPPRMVXMRGAQST-AWEZNQCLSA-N 1 2 458.053 2.864 20 0 JFADLO CC(C)(C)[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 ZINC001287044621 1062020351 /nfs/dbraw/zinc/02/03/51/1062020351.db2.gz VBXXRXFXLAVRCB-UHFFFAOYSA-N 1 2 463.623 2.753 20 0 JFADLO Cc1cn2c([nH+]1)[C@H](Cn1c(Cc3csc(C)n3)nnc1N(C)CC(=O)NC(C)C)CCC2 ZINC001290297797 1062026927 /nfs/dbraw/zinc/02/69/27/1062026927.db2.gz XRCVMDHJEUPNEN-KRWDZBQOSA-N 1 2 456.620 2.677 20 0 JFADLO COc1ccc([C@H]2CCCN2C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(OC)c1 ZINC001290379352 1062081290 /nfs/dbraw/zinc/08/12/90/1062081290.db2.gz NIFLMHLDCLWAMM-OAQYLSRUSA-N 1 2 452.555 2.891 20 0 JFADLO C[N@@H+]1CCN(C(=O)c2cnn3c2N[C@@H](C2CC2)C[C@H]3C(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001294572604 1062085949 /nfs/dbraw/zinc/08/59/49/1062085949.db2.gz KLFRJGSCRFUQPF-OIISXLGYSA-N 1 2 468.549 2.564 20 0 JFADLO C[N@H+]1CCN(C(=O)c2cnn3c2N[C@@H](C2CC2)C[C@H]3C(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001294572604 1062085966 /nfs/dbraw/zinc/08/59/66/1062085966.db2.gz KLFRJGSCRFUQPF-OIISXLGYSA-N 1 2 468.549 2.564 20 0 JFADLO C[N@@H+]1CCN(C(=O)[C@H]2CC(c3cccc(Cl)c3F)=NO2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001294573391 1062087163 /nfs/dbraw/zinc/08/71/63/1062087163.db2.gz PVSUSPRJIHMASS-SUMWQHHRSA-N 1 2 454.930 2.639 20 0 JFADLO C[N@H+]1CCN(C(=O)[C@H]2CC(c3cccc(Cl)c3F)=NO2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001294573391 1062087186 /nfs/dbraw/zinc/08/71/86/1062087186.db2.gz PVSUSPRJIHMASS-SUMWQHHRSA-N 1 2 454.930 2.639 20 0 JFADLO Cc1nc(Cc2nnc(N(C)CCS(C)(=O)=O)n2C[C@@H](c2ccco2)[NH+]2CCCC2)cs1 ZINC001290403689 1062112430 /nfs/dbraw/zinc/11/24/30/1062112430.db2.gz ZCSGNLBQBGXGKD-SFHVURJKSA-N 1 2 478.644 2.545 20 0 JFADLO Cc1nc(Cc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CCCNc2cccc[nH+]2)cs1 ZINC001290426474 1062178602 /nfs/dbraw/zinc/17/86/02/1062178602.db2.gz XEMQIRQUIPJESF-GOSISDBHSA-N 1 2 475.644 2.544 20 0 JFADLO Cc1nc(CCn2c(CC(C)C)nnc2N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)cs1 ZINC001290462608 1062245657 /nfs/dbraw/zinc/24/56/57/1062245657.db2.gz IHAFJNPFSLYULG-GOSISDBHSA-N 1 2 459.664 2.617 20 0 JFADLO C[C@H]1CN(c2ccnc(C(=O)NC3CC[NH+](CC(=O)Nc4ccccc4)CC3)c2)C[C@H](C)O1 ZINC001290462906 1062246202 /nfs/dbraw/zinc/24/62/02/1062246202.db2.gz HLOYOVVDILHZLZ-OALUTQOASA-N 1 2 451.571 2.528 20 0 JFADLO Cc1nc(CCn2c(Cc3c(F)cccc3F)nnc2N(C)CC[NH+]2CCOCC2)cs1 ZINC001290463005 1062246445 /nfs/dbraw/zinc/24/64/45/1062246445.db2.gz MGYCJTNKZRBLJT-UHFFFAOYSA-N 1 2 462.570 2.923 20 0 JFADLO CC(C)(C)S(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001287084572 1062252675 /nfs/dbraw/zinc/25/26/75/1062252675.db2.gz SANQOWRFSLGQQF-HXUWFJFHSA-N 1 2 463.623 2.896 20 0 JFADLO CC(C)(C)S(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001287084572 1062252695 /nfs/dbraw/zinc/25/26/95/1062252695.db2.gz SANQOWRFSLGQQF-HXUWFJFHSA-N 1 2 463.623 2.896 20 0 JFADLO CC(C)(C)[S@](=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001287084763 1062254417 /nfs/dbraw/zinc/25/44/17/1062254417.db2.gz APXJDFLSCDANAI-NAXVNJIRSA-N 1 2 489.686 2.923 20 0 JFADLO CC(C)(C)[S@@](=O)CCn1c(CCOc2ccccc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001287087416 1062267318 /nfs/dbraw/zinc/26/73/18/1062267318.db2.gz LMJBXQLPDDEWCT-TXRXYBTHSA-N 1 2 489.686 2.605 20 0 JFADLO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCCNc1cccc[nH+]1 ZINC001287089593 1062277361 /nfs/dbraw/zinc/27/73/61/1062277361.db2.gz OGZUOWOMFDTKQL-NLWGTHIKSA-N 1 2 455.607 2.796 20 0 JFADLO Cc1ncc(C[NH+]2CCN(c3nnc(C(C)C)n3CC3(NC(=O)OC(C)(C)C)COC3)CC2)s1 ZINC001290497257 1062288969 /nfs/dbraw/zinc/28/89/69/1062288969.db2.gz FSOFLIUKHPREAD-UHFFFAOYSA-N 1 2 491.662 2.782 20 0 JFADLO Cc1nc(N2CCN(c3nnc(Cc4ccsc4)n3CCNC(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC001290502058 1062296800 /nfs/dbraw/zinc/29/68/00/1062296800.db2.gz VTZDTYXGOSYUPD-UHFFFAOYSA-N 1 2 484.630 2.880 20 0 JFADLO CC(C)=CCCn1c(-c2ccccn2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001287104486 1062316181 /nfs/dbraw/zinc/31/61/81/1062316181.db2.gz KZDLTHWQLCJBCC-JOCHJYFZSA-N 1 2 453.635 2.928 20 0 JFADLO CC(C)=CCCn1c(-c2ccccn2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001287104488 1062316699 /nfs/dbraw/zinc/31/66/99/1062316699.db2.gz KZDLTHWQLCJBCC-QFIPXVFZSA-N 1 2 453.635 2.928 20 0 JFADLO Cc1nccnc1CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001290529842 1062330658 /nfs/dbraw/zinc/33/06/58/1062330658.db2.gz VBDNVJWVTSWRRL-UHFFFAOYSA-N 1 2 483.020 2.733 20 0 JFADLO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001287116907 1062348469 /nfs/dbraw/zinc/34/84/69/1062348469.db2.gz CDRCELJYBHUOLR-FYYLOGMGSA-N 1 2 468.646 2.525 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N(CCO)Cc3ccccc3)n2Cc2ccc(N(C)C)[nH+]c2)n1 ZINC001290611251 1062452817 /nfs/dbraw/zinc/45/28/17/1062452817.db2.gz JFROIVAUXJNCFW-UHFFFAOYSA-N 1 2 460.586 2.648 20 0 JFADLO CC(C)[C@@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001287143801 1062506598 /nfs/dbraw/zinc/50/65/98/1062506598.db2.gz AJJUELSQRYKKGG-QFIPXVFZSA-N 1 2 453.534 2.722 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N3CC[NH+](Cc4cnc(C)s4)CC3)n2C[C@@](C)(O)C(C)C)n1 ZINC001290648408 1062545046 /nfs/dbraw/zinc/54/50/46/1062545046.db2.gz UVPAGFYYKANRSQ-HSZRJFAPSA-N 1 2 472.663 2.634 20 0 JFADLO CCCNC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001294855651 1062555511 /nfs/dbraw/zinc/55/55/11/1062555511.db2.gz BKGXIFLPYMHNSH-UHFFFAOYSA-N 1 2 487.555 2.682 20 0 JFADLO CC(C)c1nnc(N(C)C[C@@H](c2cccs2)N2CCOCC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001287175484 1062599423 /nfs/dbraw/zinc/59/94/23/1062599423.db2.gz YMKVJPNZOHGXHB-UXHICEINSA-N 1 2 462.664 2.693 20 0 JFADLO COc1ccc(C(=O)NCc2ccn3cc[nH+]c3c2)cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC001294897628 1062629944 /nfs/dbraw/zinc/62/99/44/1062629944.db2.gz QJAOSYFEFFRFTA-CALCHBBNSA-N 1 2 456.568 2.940 20 0 JFADLO Cc1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1Cc1cccc(C(=O)N(C)C)c1 ZINC001290712796 1062645254 /nfs/dbraw/zinc/64/52/54/1062645254.db2.gz ICQHDSWQJHTWGF-NRFANRHFSA-N 1 2 468.627 2.908 20 0 JFADLO Cc1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1CCn1cc(Br)cn1 ZINC001290714192 1062647582 /nfs/dbraw/zinc/64/75/82/1062647582.db2.gz WJFFTCDKXZCAOE-QGZVFWFLSA-N 1 2 480.436 2.817 20 0 JFADLO CN(CCCn1cc[nH+]c1)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC001294916448 1062677303 /nfs/dbraw/zinc/67/73/03/1062677303.db2.gz TYDGQQJQDUKXKV-UHFFFAOYSA-N 1 2 458.506 2.851 20 0 JFADLO CCCOc1ccc(-c2nnc(N3CCN(C(=O)NC)CC3)n2Cc2c[nH+]ccc2OC)cc1OC ZINC001294938832 1062717747 /nfs/dbraw/zinc/71/77/47/1062717747.db2.gz JLICEAHPYDPRRD-UHFFFAOYSA-N 1 2 495.584 2.656 20 0 JFADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC001290823504 1062717841 /nfs/dbraw/zinc/71/78/41/1062717841.db2.gz OUXFJXGFFAJHTR-UHFFFAOYSA-N 1 2 456.543 2.583 20 0 JFADLO Cc1nnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001290856308 1062739185 /nfs/dbraw/zinc/73/91/85/1062739185.db2.gz DZDPOOPWRMIKSZ-VGOFRKELSA-N 1 2 489.615 2.737 20 0 JFADLO Cc1nnc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001290856307 1062739397 /nfs/dbraw/zinc/73/93/97/1062739397.db2.gz DZDPOOPWRMIKSZ-JTSKRJEESA-N 1 2 489.615 2.737 20 0 JFADLO Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccccc1OCC(F)(F)F ZINC001290857602 1062741663 /nfs/dbraw/zinc/74/16/63/1062741663.db2.gz NWOJDXOVNIPCCN-KRWDZBQOSA-N 1 2 480.535 2.709 20 0 JFADLO Cc1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001290857817 1062742247 /nfs/dbraw/zinc/74/22/47/1062742247.db2.gz QUKRBSDSXMTFTJ-OAQYLSRUSA-N 1 2 456.591 2.717 20 0 JFADLO Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCc1cc(Br)ccc1F ZINC001290858630 1062742848 /nfs/dbraw/zinc/74/28/48/1062742848.db2.gz WJRLARMPOLRMBP-MRXNPFEDSA-N 1 2 493.425 2.864 20 0 JFADLO Cc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCOc1cccc(Cl)c1 ZINC001290876292 1062760832 /nfs/dbraw/zinc/76/08/32/1062760832.db2.gz LVLVJCWUGYDSTM-QFIPXVFZSA-N 1 2 463.026 2.550 20 0 JFADLO CCCS(=O)(=O)NC1CCN(c2nnc([C@@H]3CCCOC3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001295014794 1062805071 /nfs/dbraw/zinc/80/50/71/1062805071.db2.gz FXPUKCFELWCFJZ-HXUWFJFHSA-N 1 2 490.674 2.807 20 0 JFADLO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1nc(-c2c(F)cccc2F)cs1 ZINC001295030335 1062832560 /nfs/dbraw/zinc/83/25/60/1062832560.db2.gz XHWFPQKLMITQCS-QGZVFWFLSA-N 1 2 450.511 2.740 20 0 JFADLO Cc1cc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)CC[NH+]2CCOCC2)on1 ZINC001290964354 1062838292 /nfs/dbraw/zinc/83/82/92/1062838292.db2.gz KSIPIRUIIVXIJZ-UHFFFAOYSA-N 1 2 489.621 2.506 20 0 JFADLO Cc1cc(Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)CC[NH+]2CCOCC2)on1 ZINC001290964990 1062840000 /nfs/dbraw/zinc/84/00/00/1062840000.db2.gz VZAXSFRCFJZPIJ-LJQANCHMSA-N 1 2 489.621 2.506 20 0 JFADLO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(Br)c2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001290976249 1062856160 /nfs/dbraw/zinc/85/61/60/1062856160.db2.gz OUUQYYQQNIAMGY-HNNXBMFYSA-N 1 2 484.402 2.884 20 0 JFADLO C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2ccccn2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001290980734 1062865538 /nfs/dbraw/zinc/86/55/38/1062865538.db2.gz OAQVZSHKUBLOJN-JXFKEZNVSA-N 1 2 469.540 2.512 20 0 JFADLO CC(C)Cc1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCNC(=O)c1cccs1 ZINC001287431758 1062868820 /nfs/dbraw/zinc/86/88/20/1062868820.db2.gz AXFWJMMZOJEPHT-UHFFFAOYSA-N 1 2 453.616 2.992 20 0 JFADLO CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001287443594 1062878375 /nfs/dbraw/zinc/87/83/75/1062878375.db2.gz WUIOPDBYMSIAIJ-UXHICEINSA-N 1 2 464.655 2.938 20 0 JFADLO CC(C)Cc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001287448908 1062885726 /nfs/dbraw/zinc/88/57/26/1062885726.db2.gz HFEKUHCFQCMKOR-PMACEKPBSA-N 1 2 451.612 2.932 20 0 JFADLO CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001287462883 1062903984 /nfs/dbraw/zinc/90/39/84/1062903984.db2.gz UEPUWPDLXUJZIN-SFHVURJKSA-N 1 2 493.027 2.952 20 0 JFADLO CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001287462883 1062904008 /nfs/dbraw/zinc/90/40/08/1062904008.db2.gz UEPUWPDLXUJZIN-SFHVURJKSA-N 1 2 493.027 2.952 20 0 JFADLO CCN(C)C(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC001295080741 1062911974 /nfs/dbraw/zinc/91/19/74/1062911974.db2.gz OSYBMUYMHIKCAI-UHFFFAOYSA-N 1 2 493.660 2.756 20 0 JFADLO CC(C)Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H]1CCO[C@H]1C(C)C ZINC001287465524 1062912318 /nfs/dbraw/zinc/91/23/18/1062912318.db2.gz MFFIZBHHUZFFAT-GIWBLDEGSA-N 1 2 460.667 2.671 20 0 JFADLO CC(C)Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCOc1ncccc1Cl ZINC001287465974 1062914073 /nfs/dbraw/zinc/91/40/73/1062914073.db2.gz QZOFDRJXKWHCLT-LJQANCHMSA-N 1 2 490.052 2.737 20 0 JFADLO CC(C)Cc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1Cc1cccc(F)c1 ZINC001287481549 1062937229 /nfs/dbraw/zinc/93/72/29/1062937229.db2.gz FNTAGTZBMWZAOS-QHCPKHFHSA-N 1 2 458.626 2.895 20 0 JFADLO C[C@@H]1C[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC[NH+]2CCOCC2)CCO1 ZINC001291022793 1062942854 /nfs/dbraw/zinc/94/28/54/1062942854.db2.gz LOYWGZCGLVJSJA-CVEARBPZSA-N 1 2 467.412 2.619 20 0 JFADLO CSC[C@@H](C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001295168644 1062992229 /nfs/dbraw/zinc/99/22/29/1062992229.db2.gz IMRSCWAROBKOEZ-ZCNNSNEGSA-N 1 2 458.628 2.985 20 0 JFADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCC[C@@H](C)C2)n1CCc1cn2ccccc2[nH+]1 ZINC001291069734 1063018473 /nfs/dbraw/zinc/01/84/73/1063018473.db2.gz FEBBECUPCPSFNK-AOIWGVFYSA-N 1 2 459.620 2.794 20 0 JFADLO C[C@@H]1CCC[C@]1(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001291077553 1063030022 /nfs/dbraw/zinc/03/00/22/1063030022.db2.gz CSAFCDRBMFOPHZ-HXOBKFHXSA-N 1 2 465.545 2.866 20 0 JFADLO Cc1nc([C@H](C)NC(=O)[C@H](Cc2cn(Cc3ccccc3)c[nH+]2)NC(=O)OC(C)(C)C)no1 ZINC001295243114 1063062515 /nfs/dbraw/zinc/06/25/15/1063062515.db2.gz FRMCOPKVCZAFKR-KXBFYZLASA-N 1 2 454.531 2.936 20 0 JFADLO CC(C)NC(=O)c1nnc(N2CCC[C@H](C)CC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001291109249 1063103420 /nfs/dbraw/zinc/10/34/20/1063103420.db2.gz IXGVVOLFRAKRHU-OALUTQOASA-N 1 2 455.607 2.711 20 0 JFADLO CC(C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C)CC1)[NH+]1CCOCC1 ZINC001291109639 1063105424 /nfs/dbraw/zinc/10/54/24/1063105424.db2.gz PEOSZKVQQXGUQG-WOJBJXKFSA-N 1 2 455.607 2.909 20 0 JFADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC(C)(C)COc1ncccc1C(F)(F)F ZINC001295279252 1063120564 /nfs/dbraw/zinc/12/05/64/1063120564.db2.gz SXFWVUJGDGBGHH-MRXNPFEDSA-N 1 2 455.481 2.871 20 0 JFADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC(C)(C)COc1ncccc1C(F)(F)F ZINC001295279252 1063120577 /nfs/dbraw/zinc/12/05/77/1063120577.db2.gz SXFWVUJGDGBGHH-MRXNPFEDSA-N 1 2 455.481 2.871 20 0 JFADLO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(Cc2cccnc2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001295292946 1063143006 /nfs/dbraw/zinc/14/30/06/1063143006.db2.gz DRIQBTFFJXMXCU-XUZZJYLKSA-N 1 2 464.614 2.853 20 0 JFADLO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(Cc2cccnc2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001295292946 1063143016 /nfs/dbraw/zinc/14/30/16/1063143016.db2.gz DRIQBTFFJXMXCU-XUZZJYLKSA-N 1 2 464.614 2.853 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2c(C)noc2C)CC1 ZINC001295334935 1063245866 /nfs/dbraw/zinc/24/58/66/1063245866.db2.gz JNMHAAQHWUGBBH-UHFFFAOYSA-N 1 2 481.601 2.597 20 0 JFADLO C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001291164283 1063248257 /nfs/dbraw/zinc/24/82/57/1063248257.db2.gz SLJVWCIOVLOINX-VAMGGRTRSA-N 1 2 462.639 2.960 20 0 JFADLO C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001291164283 1063248277 /nfs/dbraw/zinc/24/82/77/1063248277.db2.gz SLJVWCIOVLOINX-VAMGGRTRSA-N 1 2 462.639 2.960 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2CCc2ccccn2)CC1 ZINC001295335503 1063252680 /nfs/dbraw/zinc/25/26/80/1063252680.db2.gz ZQZKUUJRIDEAIH-UHFFFAOYSA-N 1 2 477.613 2.582 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CCOc2cccc(Cl)c2)CC1 ZINC001295335550 1063253525 /nfs/dbraw/zinc/25/35/25/1063253525.db2.gz BEIOGHNYSGRBHK-UHFFFAOYSA-N 1 2 486.020 2.996 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)c2ncc(C)s2)CC1 ZINC001295335628 1063254231 /nfs/dbraw/zinc/25/42/31/1063254231.db2.gz DERWMCPCCKGHSH-QGZVFWFLSA-N 1 2 470.647 2.832 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC2CCOCC2)CC1 ZINC001295335720 1063254392 /nfs/dbraw/zinc/25/43/92/1063254392.db2.gz FTKDTHBMJLCLJK-UHFFFAOYSA-N 1 2 484.645 2.761 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCSC2)CC1 ZINC001295336206 1063257492 /nfs/dbraw/zinc/25/74/92/1063257492.db2.gz NZYOJNPIAXODAR-FQEVSTJZSA-N 1 2 456.660 2.997 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001295336809 1063260452 /nfs/dbraw/zinc/26/04/52/1063260452.db2.gz WPOBQZCFBXVAKK-IBGZPJMESA-N 1 2 490.052 2.799 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(N(C)C)c2)CC1 ZINC001295336869 1063260929 /nfs/dbraw/zinc/26/09/29/1063260929.db2.gz ZEGPYKUJAFAOMF-UHFFFAOYSA-N 1 2 479.629 2.951 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(Cl)s2)CC1 ZINC001295337828 1063264209 /nfs/dbraw/zinc/26/42/09/1063264209.db2.gz JSVHHZUVUUBTKK-UHFFFAOYSA-N 1 2 489.049 2.683 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(Cl)nc2)CC1 ZINC001295339582 1063267739 /nfs/dbraw/zinc/26/77/39/1063267739.db2.gz SYOCHHZZKCZFME-UHFFFAOYSA-N 1 2 483.020 2.736 20 0 JFADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291186949 1063293190 /nfs/dbraw/zinc/29/31/90/1063293190.db2.gz MKMYJRGYNJYVKT-GVDBMIGSSA-N 1 2 499.081 2.751 20 0 JFADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291186948 1063293229 /nfs/dbraw/zinc/29/32/29/1063293229.db2.gz MKMYJRGYNJYVKT-BRWVUGGUSA-N 1 2 499.081 2.751 20 0 JFADLO CCN(CC)C(=O)N1CCN(c2nnc(-c3cnccn3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001295350792 1063296059 /nfs/dbraw/zinc/29/60/59/1063296059.db2.gz IUTOFYBDSFYRQN-UHFFFAOYSA-N 1 2 463.590 2.655 20 0 JFADLO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCOC[C@H]2C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291202494 1063359494 /nfs/dbraw/zinc/35/94/94/1063359494.db2.gz MZHTWIUANCCQGB-KURKYZTESA-N 1 2 450.628 2.646 20 0 JFADLO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CC[N@H+]2CCOC[C@H]2C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291202494 1063359515 /nfs/dbraw/zinc/35/95/15/1063359515.db2.gz MZHTWIUANCCQGB-KURKYZTESA-N 1 2 450.628 2.646 20 0 JFADLO COc1cccc(OCC[NH+]2CCN(C(=O)c3cc(N4C[C@@H](C)O[C@H](C)C4)ccn3)CC2)c1 ZINC001295384936 1063360362 /nfs/dbraw/zinc/36/03/62/1063360362.db2.gz RVUOXCFGGXTAJZ-WOJBJXKFSA-N 1 2 454.571 2.541 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C)CC2)c[nH+]1 ZINC001295410963 1063405379 /nfs/dbraw/zinc/40/53/79/1063405379.db2.gz PMSWZVSWQVOLEI-MSOLQXFVSA-N 1 2 463.652 2.804 20 0 JFADLO CCN(CC)c1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)O[C@@H](C)C2)c[nH+]1 ZINC001295411179 1063406779 /nfs/dbraw/zinc/40/67/79/1063406779.db2.gz RGYYZOMMRXPVBA-HDICACEKSA-N 1 2 464.574 2.829 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCc3ccccc32)c[nH+]1 ZINC001295411914 1063410119 /nfs/dbraw/zinc/41/01/19/1063410119.db2.gz YTEGMYKNJDSGEH-QGZVFWFLSA-N 1 2 469.615 2.872 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3ccc(Br)cc3)nnc2N2CCNC(=O)C2)c[nH+]1 ZINC001295412933 1063411178 /nfs/dbraw/zinc/41/11/78/1063411178.db2.gz IPWWOKQSHRAMOR-UHFFFAOYSA-N 1 2 484.402 2.933 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3cccc(OC)c3)nnc2N2CC(=O)N(C)[C@@H](C)C2)c[nH+]1 ZINC001295413085 1063412411 /nfs/dbraw/zinc/41/24/11/1063412411.db2.gz KXPQPTCPRKOMDP-SFHVURJKSA-N 1 2 463.586 2.910 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3ccc(OC)cc3)nnc2N2CCN(C(=O)COC)CC2)c[nH+]1 ZINC001295413749 1063413471 /nfs/dbraw/zinc/41/34/71/1063413471.db2.gz QTMPOUVYFLOURU-UHFFFAOYSA-N 1 2 493.612 2.538 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@H](C)CC(N)=O)c[nH+]1 ZINC001295413776 1063414459 /nfs/dbraw/zinc/41/44/59/1063414459.db2.gz RKRYTVSNSNGEAE-OAHLLOKOSA-N 1 2 456.982 2.983 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCC[C@H](C(N)=O)C2)c[nH+]1 ZINC001295414184 1063415757 /nfs/dbraw/zinc/41/57/57/1063415757.db2.gz WWGVBMMFUQVOPQ-FQEVSTJZSA-N 1 2 493.612 2.954 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)c[nH+]1 ZINC001295414192 1063415911 /nfs/dbraw/zinc/41/59/11/1063415911.db2.gz XFHYAEQWYGGNAH-GOSISDBHSA-N 1 2 490.033 2.906 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3n[nH]c(=O)c4ccccc43)nnc2N(C)[C@H](C)CC(N)=O)c[nH+]1 ZINC001295416246 1063420412 /nfs/dbraw/zinc/42/04/12/1063420412.db2.gz XJMDYQDCSAAABM-MRXNPFEDSA-N 1 2 489.584 2.584 20 0 JFADLO CCN(CC)c1ccc(Cn2c(Cc3ccsc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)c[nH+]1 ZINC001295418271 1063424720 /nfs/dbraw/zinc/42/47/20/1063424720.db2.gz DQOOLXHPHWRKKU-LJQANCHMSA-N 1 2 474.656 2.843 20 0 JFADLO CCN(CC)c1ccc(Cn2c(N3CCN([C@H](C)C(=O)NC4CC4)CC3)nnc2C(C)(C)C)c[nH+]1 ZINC001295419072 1063427154 /nfs/dbraw/zinc/42/71/54/1063427154.db2.gz MNEZQZOFDFIJEV-LJQANCHMSA-N 1 2 482.677 2.654 20 0 JFADLO CCN(CC)c1ccc(Cn2c(Cc3ccc(F)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)c[nH+]1 ZINC001295419199 1063428317 /nfs/dbraw/zinc/42/83/17/1063428317.db2.gz GSWOLGPLGGZZKC-GOSISDBHSA-N 1 2 465.577 2.964 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@H](C)C[C@H](C)C2)c[nH+]1 ZINC001295420729 1063435926 /nfs/dbraw/zinc/43/59/26/1063435926.db2.gz XKQPWIMBGLRVMU-WSTZPKSXSA-N 1 2 460.648 2.952 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cnc(C)s2)c[nH+]1 ZINC001295420913 1063435953 /nfs/dbraw/zinc/43/59/53/1063435953.db2.gz ZWLMWLIGGKHSQY-GOSISDBHSA-N 1 2 489.671 2.871 20 0 JFADLO O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001295430549 1063440849 /nfs/dbraw/zinc/44/08/49/1063440849.db2.gz SYAYNMZSLZPFEB-HNNXBMFYSA-N 1 2 454.367 2.999 20 0 JFADLO CCN(CC)c1nnc(COc2ccccc2OC)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001295460696 1063461744 /nfs/dbraw/zinc/46/17/44/1063461744.db2.gz JZVPJEWETWGNCF-UHFFFAOYSA-N 1 2 452.559 2.992 20 0 JFADLO C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001291246420 1063519111 /nfs/dbraw/zinc/51/91/11/1063519111.db2.gz PONBXPKQOVCQCX-WTGUMLROSA-N 1 2 478.638 2.590 20 0 JFADLO C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)Cc2ccc(F)cc2)C[C@H](C)S1 ZINC001291253673 1063537570 /nfs/dbraw/zinc/53/75/70/1063537570.db2.gz KSALCILCIDBZJZ-SCTDSRPQSA-N 1 2 481.663 2.782 20 0 JFADLO C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C[C@H](C)S1 ZINC001291253673 1063537580 /nfs/dbraw/zinc/53/75/80/1063537580.db2.gz KSALCILCIDBZJZ-SCTDSRPQSA-N 1 2 481.663 2.782 20 0 JFADLO C[C@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC(=O)N1C ZINC001291263885 1063562358 /nfs/dbraw/zinc/56/23/58/1063562358.db2.gz SMDAGPILGITCEB-JXFKEZNVSA-N 1 2 469.540 2.512 20 0 JFADLO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@H]2CCCO2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001295584170 1063629483 /nfs/dbraw/zinc/62/94/83/1063629483.db2.gz IDVZNQGNSIUXAD-JOCHJYFZSA-N 1 2 484.645 2.969 20 0 JFADLO C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC[N@@H+]2CCOCC2(C)C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291286987 1063635539 /nfs/dbraw/zinc/63/55/39/1063635539.db2.gz SCQCQDUEXWBHLI-GBESFXJTSA-N 1 2 478.638 2.590 20 0 JFADLO C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC[N@H+]2CCOCC2(C)C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291286987 1063635549 /nfs/dbraw/zinc/63/55/49/1063635549.db2.gz SCQCQDUEXWBHLI-GBESFXJTSA-N 1 2 478.638 2.590 20 0 JFADLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(C)(F)F ZINC001291287688 1063641290 /nfs/dbraw/zinc/64/12/90/1063641290.db2.gz GKXOTKMUNNGLML-HKUYNNGSSA-N 1 2 467.586 2.936 20 0 JFADLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(C)(F)F ZINC001291287688 1063641300 /nfs/dbraw/zinc/64/13/00/1063641300.db2.gz GKXOTKMUNNGLML-HKUYNNGSSA-N 1 2 467.586 2.936 20 0 JFADLO CCN(Cc1ccccc1)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001295610515 1063661354 /nfs/dbraw/zinc/66/13/54/1063661354.db2.gz YQVJVRDOHDSPTJ-AREMUKBSSA-N 1 2 484.645 2.509 20 0 JFADLO CCN(Cc1ccccc1C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001295617136 1063665233 /nfs/dbraw/zinc/66/52/33/1063665233.db2.gz CJFAJVYUERDBJC-HHHXNRCGSA-N 1 2 498.672 2.818 20 0 JFADLO CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001295624809 1063669827 /nfs/dbraw/zinc/66/98/27/1063669827.db2.gz FBISRTMRENZEPT-INIZCTEOSA-N 1 2 475.594 2.563 20 0 JFADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc(Cc2c(F)cccc2F)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291292264 1063675096 /nfs/dbraw/zinc/67/50/96/1063675096.db2.gz BORHPBPPZVBBJD-KURKYZTESA-N 1 2 499.628 2.516 20 0 JFADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc(Cc2c(F)cccc2F)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291292264 1063675102 /nfs/dbraw/zinc/67/51/02/1063675102.db2.gz BORHPBPPZVBBJD-KURKYZTESA-N 1 2 499.628 2.516 20 0 JFADLO C[C@H]1COCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001291301057 1063706920 /nfs/dbraw/zinc/70/69/20/1063706920.db2.gz WFLDZNBVNFXIGN-RBUKOAKNSA-N 1 2 464.010 2.952 20 0 JFADLO C[C@@H]1COCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001291301055 1063707052 /nfs/dbraw/zinc/70/70/52/1063707052.db2.gz WFLDZNBVNFXIGN-MOPGFXCFSA-N 1 2 464.010 2.952 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(C2CCC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001291308208 1063727958 /nfs/dbraw/zinc/72/79/58/1063727958.db2.gz JRNBUEYELRYCCZ-OALUTQOASA-N 1 2 462.639 2.960 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(C2CCC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001291308208 1063727973 /nfs/dbraw/zinc/72/79/73/1063727973.db2.gz JRNBUEYELRYCCZ-OALUTQOASA-N 1 2 462.639 2.960 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCC1 ZINC001291308357 1063728708 /nfs/dbraw/zinc/72/87/08/1063728708.db2.gz MEWNICIBLRECAU-AZUAARDMSA-N 1 2 478.638 2.544 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCC1 ZINC001291308357 1063728721 /nfs/dbraw/zinc/72/87/21/1063728721.db2.gz MEWNICIBLRECAU-AZUAARDMSA-N 1 2 478.638 2.544 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(Cc2ccccc2F)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291308573 1063730374 /nfs/dbraw/zinc/73/03/74/1063730374.db2.gz PIBRFDACUISLDB-QUCCMNQESA-N 1 2 488.608 2.832 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(Cc2ccccc2F)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291308573 1063730386 /nfs/dbraw/zinc/73/03/86/1063730386.db2.gz PIBRFDACUISLDB-QUCCMNQESA-N 1 2 488.608 2.832 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(COc2ccc(Br)cc2)nnc1Nc1cnn(C)c1 ZINC001291309260 1063733970 /nfs/dbraw/zinc/73/39/70/1063733970.db2.gz CDLKNXGNANLKTR-OAHLLOKOSA-N 1 2 476.379 2.817 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(COc2ccc(Br)cc2)nnc1Nc1cnn(C)c1 ZINC001291309260 1063733984 /nfs/dbraw/zinc/73/39/84/1063733984.db2.gz CDLKNXGNANLKTR-OAHLLOKOSA-N 1 2 476.379 2.817 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(CCc2ccccc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001291309628 1063735334 /nfs/dbraw/zinc/73/53/34/1063735334.db2.gz KRWMBKMGHLPUQG-IEBWSBKVSA-N 1 2 453.509 2.552 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(CCc2ccccc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001291309628 1063735347 /nfs/dbraw/zinc/73/53/47/1063735347.db2.gz KRWMBKMGHLPUQG-IEBWSBKVSA-N 1 2 453.509 2.552 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(-c2cccn2C)n1CC(=O)NCC(F)F ZINC001295748564 1063754113 /nfs/dbraw/zinc/75/41/13/1063754113.db2.gz MHEPJNOALXOHNB-UHFFFAOYSA-N 1 2 486.571 2.803 20 0 JFADLO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001291339016 1063810846 /nfs/dbraw/zinc/81/08/46/1063810846.db2.gz FWCTVHPSVNGAQI-HXUWFJFHSA-N 1 2 463.586 2.958 20 0 JFADLO CC[N@H+](CCn1c(Cc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1)CCC(F)(F)F ZINC001295855972 1063886442 /nfs/dbraw/zinc/88/64/42/1063886442.db2.gz VVKWSJPFBVPINU-UHFFFAOYSA-N 1 2 477.528 2.517 20 0 JFADLO CC[N@@H+](CCn1c(Cc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1)CCC(F)(F)F ZINC001295855972 1063886452 /nfs/dbraw/zinc/88/64/52/1063886452.db2.gz VVKWSJPFBVPINU-UHFFFAOYSA-N 1 2 477.528 2.517 20 0 JFADLO CC[C@@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001291368098 1063893190 /nfs/dbraw/zinc/89/31/90/1063893190.db2.gz HOEYVXGYGCZLRM-XMMPIXPASA-N 1 2 452.607 2.993 20 0 JFADLO CC[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001291382301 1063922681 /nfs/dbraw/zinc/92/26/81/1063922681.db2.gz VDZNAYATHDZAKU-PTLVVNQVSA-N 1 2 461.582 2.624 20 0 JFADLO CCN(CCS(C)(=O)=O)c1nnc(Cc2ccc(F)cc2)n1CCc1cn2ccccc2[nH+]1 ZINC001295886353 1063933367 /nfs/dbraw/zinc/93/33/67/1063933367.db2.gz OLNSNXAXDQGSJV-UHFFFAOYSA-N 1 2 470.574 2.769 20 0 JFADLO CC[C@H](C)[C@@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001291397457 1063954212 /nfs/dbraw/zinc/95/42/12/1063954212.db2.gz KPYGRCXARNBYRE-VRUMLPLGSA-N 1 2 478.726 2.895 20 0 JFADLO CCn1cc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)cn1 ZINC001295913627 1063965896 /nfs/dbraw/zinc/96/58/96/1063965896.db2.gz CGPPQHIGFFWLKW-RTBURBONSA-N 1 2 472.544 2.663 20 0 JFADLO CC[C@@H](C)[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001291406920 1063978237 /nfs/dbraw/zinc/97/82/37/1063978237.db2.gz DNYBMLDVFSDDQL-OFYLTFBOSA-N 1 2 492.690 2.886 20 0 JFADLO CC[C@@H](C)[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cccc[nH+]2)CC1)OC ZINC001291427268 1064010262 /nfs/dbraw/zinc/01/02/62/1064010262.db2.gz IKKNPGAQDLLIPU-DYQZNNLLSA-N 1 2 458.607 2.785 20 0 JFADLO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 ZINC001295967584 1064014527 /nfs/dbraw/zinc/01/45/27/1064014527.db2.gz XQEDWXXNBUWURI-UHFFFAOYSA-N 1 2 452.580 2.945 20 0 JFADLO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 ZINC001295967584 1064014537 /nfs/dbraw/zinc/01/45/37/1064014537.db2.gz XQEDWXXNBUWURI-UHFFFAOYSA-N 1 2 452.580 2.945 20 0 JFADLO CC[C@@H](C)c1nnc(N(C)Cc2cnn(C)c2C)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001291438452 1064017908 /nfs/dbraw/zinc/01/79/08/1064017908.db2.gz DIAZMWGMLKSNRV-VQIMIIECSA-N 1 2 452.611 2.971 20 0 JFADLO CC[C@@H](C)c1nnc(N(C)Cc2cnn(C)c2C)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001291438452 1064017913 /nfs/dbraw/zinc/01/79/13/1064017913.db2.gz DIAZMWGMLKSNRV-VQIMIIECSA-N 1 2 452.611 2.971 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCc2nnc(C)[nH]2)C[C@H]1C ZINC001295980062 1064028646 /nfs/dbraw/zinc/02/86/46/1064028646.db2.gz NWPXVNVOAOHETO-KGLIPLIRSA-N 1 2 476.427 2.634 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCc2nnc(C)[nH]2)C[C@H]1C ZINC001295980062 1064028650 /nfs/dbraw/zinc/02/86/50/1064028650.db2.gz NWPXVNVOAOHETO-KGLIPLIRSA-N 1 2 476.427 2.634 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291484333 1064040953 /nfs/dbraw/zinc/04/09/53/1064040953.db2.gz XNCKWEBSQKYTQY-FQEVSTJZSA-N 1 2 496.660 2.514 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC2CCCCC2)C[C@@H]1C ZINC001295993306 1064048283 /nfs/dbraw/zinc/04/82/83/1064048283.db2.gz CSALSKTWDSEXAV-UFYCRDLUSA-N 1 2 467.680 2.839 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC2CCCCC2)C[C@@H]1C ZINC001295993306 1064048289 /nfs/dbraw/zinc/04/82/89/1064048289.db2.gz CSALSKTWDSEXAV-UFYCRDLUSA-N 1 2 467.680 2.839 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC2CCCCC2)C[C@H]1C ZINC001295993302 1064048302 /nfs/dbraw/zinc/04/83/02/1064048302.db2.gz CSALSKTWDSEXAV-HSALFYBXSA-N 1 2 467.680 2.839 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC2CCCCC2)C[C@H]1C ZINC001295993302 1064048309 /nfs/dbraw/zinc/04/83/09/1064048309.db2.gz CSALSKTWDSEXAV-HSALFYBXSA-N 1 2 467.680 2.839 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3ccc4ccccc43)n2CCS(=O)(=O)CC)C[C@H]1C ZINC001296010716 1064069248 /nfs/dbraw/zinc/06/92/48/1064069248.db2.gz RVUFXGWEAYIKLK-MOPGFXCFSA-N 1 2 458.632 2.635 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc(Cn3ccc4ccccc43)n2CCS(=O)(=O)CC)C[C@H]1C ZINC001296010716 1064069257 /nfs/dbraw/zinc/06/92/57/1064069257.db2.gz RVUFXGWEAYIKLK-MOPGFXCFSA-N 1 2 458.632 2.635 20 0 JFADLO CC[C@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1Cc1cccc(OCC(N)=O)c1 ZINC001291524135 1064074706 /nfs/dbraw/zinc/07/47/06/1064074706.db2.gz GUDAGIAUORYMEQ-KRWDZBQOSA-N 1 2 463.586 2.728 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001291541944 1064084782 /nfs/dbraw/zinc/08/47/82/1064084782.db2.gz LCPBEQOQJBMHRI-TZIWHRDSSA-N 1 2 469.634 2.813 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCC[C@@H](OCCOC)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001291544696 1064088681 /nfs/dbraw/zinc/08/86/81/1064088681.db2.gz SUFACJSFZCLVBC-TZIWHRDSSA-N 1 2 458.607 2.703 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCN(C(=O)OC)[C@@H](C)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001291593003 1064127781 /nfs/dbraw/zinc/12/77/81/1064127781.db2.gz OFZJVFJUMVIDIW-URVUXULASA-N 1 2 470.618 2.970 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCN(C(=O)OC)[C@@H](C)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001291593003 1064127787 /nfs/dbraw/zinc/12/77/87/1064127787.db2.gz OFZJVFJUMVIDIW-URVUXULASA-N 1 2 470.618 2.970 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCOc1ccc(S(C)(=O)=O)cc1 ZINC001291609784 1064147415 /nfs/dbraw/zinc/14/74/15/1064147415.db2.gz VKTJZVIJUMWUFF-IBGZPJMESA-N 1 2 484.626 2.996 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001291616467 1064154246 /nfs/dbraw/zinc/15/42/46/1064154246.db2.gz ZOCSHVYKBSBPJO-KRWDZBQOSA-N 1 2 475.663 2.917 20 0 JFADLO CC[C@H](C)c1nnc(N2CC[NH+](Cc3cc(F)ccc3OC)CC2)n1Cc1ccc(C(N)=O)nc1 ZINC001291628646 1064171164 /nfs/dbraw/zinc/17/11/64/1064171164.db2.gz JDKVSSSMJACEPS-KRWDZBQOSA-N 1 2 481.576 2.804 20 0 JFADLO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3cc(F)ccc3OC)CC2)n1Cc1ccc(C(N)=O)nc1 ZINC001291628647 1064171213 /nfs/dbraw/zinc/17/12/13/1064171213.db2.gz JDKVSSSMJACEPS-QGZVFWFLSA-N 1 2 481.576 2.804 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(CC(F)F)CC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001291630552 1064174978 /nfs/dbraw/zinc/17/49/78/1064174978.db2.gz MFIPETFZDPHFCG-ROUUACIJSA-N 1 2 463.577 2.847 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCN(Cc3ccc(OC)c(F)c3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001291630214 1064175341 /nfs/dbraw/zinc/17/53/41/1064175341.db2.gz SLSPYZMAUUJWNE-UXHICEINSA-N 1 2 474.625 2.982 20 0 JFADLO CC[C@H](C)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1CCS(=O)(=O)N(C)C ZINC001291630412 1064175427 /nfs/dbraw/zinc/17/54/27/1064175427.db2.gz SNRFZVXAVGFHQH-KRWDZBQOSA-N 1 2 469.055 2.659 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001291632149 1064180629 /nfs/dbraw/zinc/18/06/29/1064180629.db2.gz SDYAJCFYDLMTRO-DLBZAZTESA-N 1 2 481.571 2.977 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001291632149 1064180634 /nfs/dbraw/zinc/18/06/34/1064180634.db2.gz SDYAJCFYDLMTRO-DLBZAZTESA-N 1 2 481.571 2.977 20 0 JFADLO CC[C@H](C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1Cc1ccc(F)cn1 ZINC001291639561 1064187549 /nfs/dbraw/zinc/18/75/49/1064187549.db2.gz NLSJTUFCMBPNKG-UGKGYDQZSA-N 1 2 459.614 2.605 20 0 JFADLO CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@H]1CCO[C@@H](C)C1 ZINC001291640266 1064189415 /nfs/dbraw/zinc/18/94/15/1064189415.db2.gz QVFANMJFNDOIGH-CWBXHPNXSA-N 1 2 462.683 2.838 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001291666136 1064210353 /nfs/dbraw/zinc/21/03/53/1064210353.db2.gz ACZLXDQPXYPFLN-KNQAVFIVSA-N 1 2 469.634 2.813 20 0 JFADLO CC[C@@H](C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001291733662 1064230957 /nfs/dbraw/zinc/23/09/57/1064230957.db2.gz ZGZWDCJBMJWPOU-RTBURBONSA-N 1 2 469.638 2.887 20 0 JFADLO CC[C@@H](C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001291733662 1064230962 /nfs/dbraw/zinc/23/09/62/1064230962.db2.gz ZGZWDCJBMJWPOU-RTBURBONSA-N 1 2 469.638 2.887 20 0 JFADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001296132635 1064231139 /nfs/dbraw/zinc/23/11/39/1064231139.db2.gz CGIPUOCPSBWRDX-XZOQPEGZSA-N 1 2 497.688 2.557 20 0 JFADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001296133592 1064234069 /nfs/dbraw/zinc/23/40/69/1064234069.db2.gz JKANICGOYDVWGX-QFIPXVFZSA-N 1 2 499.704 2.851 20 0 JFADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001296135207 1064238782 /nfs/dbraw/zinc/23/87/82/1064238782.db2.gz XFPJHMAXPBXRBQ-OAQYLSRUSA-N 1 2 484.645 2.581 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1C ZINC001296143245 1064252071 /nfs/dbraw/zinc/25/20/71/1064252071.db2.gz GWEFPOMCTRUKAG-VQTJNVASSA-N 1 2 488.658 2.502 20 0 JFADLO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1C ZINC001296143245 1064252078 /nfs/dbraw/zinc/25/20/78/1064252078.db2.gz GWEFPOMCTRUKAG-VQTJNVASSA-N 1 2 488.658 2.502 20 0 JFADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(C)(F)F)cc2)C[C@H]1C ZINC001296158850 1064272499 /nfs/dbraw/zinc/27/24/99/1064272499.db2.gz JJBVXPMPIOKOHU-SJLPKXTDSA-N 1 2 467.586 2.871 20 0 JFADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(C)(F)F)cc2)C[C@H]1C ZINC001296158850 1064272510 /nfs/dbraw/zinc/27/25/10/1064272510.db2.gz JJBVXPMPIOKOHU-SJLPKXTDSA-N 1 2 467.586 2.871 20 0 JFADLO CC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(C)(F)F)cc2)C[C@@H]1C ZINC001296158852 1064272535 /nfs/dbraw/zinc/27/25/35/1064272535.db2.gz JJBVXPMPIOKOHU-WMZOPIPTSA-N 1 2 467.586 2.871 20 0 JFADLO CC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(C)(F)F)cc2)C[C@@H]1C ZINC001296158852 1064272541 /nfs/dbraw/zinc/27/25/41/1064272541.db2.gz JJBVXPMPIOKOHU-WMZOPIPTSA-N 1 2 467.586 2.871 20 0 JFADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2csc(C(C)C)n2)C[C@@H]1C ZINC001296160074 1064273798 /nfs/dbraw/zinc/27/37/98/1064273798.db2.gz NSTXRYHVFMVNAI-DLBZAZTESA-N 1 2 466.677 2.533 20 0 JFADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2csc(C(C)C)n2)C[C@@H]1C ZINC001296160074 1064273801 /nfs/dbraw/zinc/27/38/01/1064273801.db2.gz NSTXRYHVFMVNAI-DLBZAZTESA-N 1 2 466.677 2.533 20 0 JFADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C[C@H]1C ZINC001296162137 1064275474 /nfs/dbraw/zinc/27/54/74/1064275474.db2.gz SEQVNCTZVKZGBR-UAFMIMERSA-N 1 2 481.707 2.940 20 0 JFADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)C[C@H]1C ZINC001296162137 1064275482 /nfs/dbraw/zinc/27/54/82/1064275482.db2.gz SEQVNCTZVKZGBR-UAFMIMERSA-N 1 2 481.707 2.940 20 0 JFADLO CC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)c2cccc(OC)c2)C[C@@H]1C ZINC001296162200 1064275552 /nfs/dbraw/zinc/27/55/52/1064275552.db2.gz TZBNMLHLTYUFDO-OALUTQOASA-N 1 2 475.659 2.697 20 0 JFADLO CC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)c2cccc(OC)c2)C[C@@H]1C ZINC001296162200 1064275558 /nfs/dbraw/zinc/27/55/58/1064275558.db2.gz TZBNMLHLTYUFDO-OALUTQOASA-N 1 2 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ZINC001292518518 1065242635 /nfs/dbraw/zinc/24/26/35/1065242635.db2.gz SXPIPJPCNNRPET-SANMLTNESA-N 1 2 470.662 2.905 20 0 JFADLO CCc1ccc(-c2nnc(N3CC[NH+]([C@H](C)C(=O)N4CCCC4)CC3)n2C[C@H](F)COC)cc1 ZINC001292518612 1065243099 /nfs/dbraw/zinc/24/30/99/1065243099.db2.gz QDISRPUYFSKCAK-KNQAVFIVSA-N 1 2 472.609 2.625 20 0 JFADLO CCc1ccc(-c2nnc(N3CC[NH+](CC(=O)N4CCCC[C@H]4C)CC3)n2CCOC)cc1 ZINC001292518558 1065243136 /nfs/dbraw/zinc/24/31/36/1065243136.db2.gz USYCYKSJBPXUDG-HXUWFJFHSA-N 1 2 454.619 2.677 20 0 JFADLO C[C@H]1C[N@H+](CCNC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)CCO1 ZINC001292572622 1065284338 /nfs/dbraw/zinc/28/43/38/1065284338.db2.gz ADMBIJQXUWYJEB-WMLDXEAASA-N 1 2 456.381 2.852 20 0 JFADLO C[C@H]1C[N@@H+](CCNC(=O)[C@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)CCO1 ZINC001292572622 1065284348 /nfs/dbraw/zinc/28/43/48/1065284348.db2.gz ADMBIJQXUWYJEB-WMLDXEAASA-N 1 2 456.381 2.852 20 0 JFADLO CCc1ccccc1OCc1nnc(N2CCCN(CC)C(=O)C2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001292608040 1065334405 /nfs/dbraw/zinc/33/44/05/1065334405.db2.gz AIPFRFPLOWEPPP-JOCHJYFZSA-N 1 2 497.688 2.504 20 0 JFADLO CCc1ccccc1OCc1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001292610439 1065338021 /nfs/dbraw/zinc/33/80/21/1065338021.db2.gz POMRSERBBWATJY-HXUWFJFHSA-N 1 2 475.659 2.775 20 0 JFADLO CCc1ccccc1OCc1nnc(N2CCCN(C(C)=O)CC2)n1Cc1c[nH+]ccc1OC ZINC001292610516 1065338565 /nfs/dbraw/zinc/33/85/65/1065338565.db2.gz TVSHIWKKTOTVJT-UHFFFAOYSA-N 1 2 464.570 2.930 20 0 JFADLO CCc1ccccc1OCc1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1CC(C)(C)O ZINC001292614903 1065346372 /nfs/dbraw/zinc/34/63/72/1065346372.db2.gz LKBWTERHOQZLKE-UHFFFAOYSA-N 1 2 454.575 2.809 20 0 JFADLO Cc1c(NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)cccc1C(=O)N1CCSCC1 ZINC001292668044 1065406762 /nfs/dbraw/zinc/40/67/62/1065406762.db2.gz LKFUVYQNNKUQAB-HXUWFJFHSA-N 1 2 457.600 2.619 20 0 JFADLO Cc1c(NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)cccc1C(=O)N1CCSCC1 ZINC001292668044 1065406768 /nfs/dbraw/zinc/40/67/68/1065406768.db2.gz LKFUVYQNNKUQAB-HXUWFJFHSA-N 1 2 457.600 2.619 20 0 JFADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)CC3CC(OC(C)(C)C)C3)cc2)CC1 ZINC001292707063 1065462728 /nfs/dbraw/zinc/46/27/28/1065462728.db2.gz OQTUIYKDAUDVCN-UHFFFAOYSA-N 1 2 459.631 2.872 20 0 JFADLO CCc1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1CCNC(=O)c1cccs1 ZINC001292825130 1065567588 /nfs/dbraw/zinc/56/75/88/1065567588.db2.gz NLGXBMWMZPLXFR-KRWDZBQOSA-N 1 2 474.656 2.903 20 0 JFADLO CCc1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001292840670 1065572976 /nfs/dbraw/zinc/57/29/76/1065572976.db2.gz ORTSSTMXMLMVBP-OAHLLOKOSA-N 1 2 478.523 2.898 20 0 JFADLO COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)/C=C(\C)C[NH+]2CCOCC2)cc1 ZINC001292976434 1065656093 /nfs/dbraw/zinc/65/60/93/1065656093.db2.gz SRHJCHNDHHOJHB-CZIZESTLSA-N 1 2 451.567 2.909 20 0 JFADLO CCc1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001292977993 1065658431 /nfs/dbraw/zinc/65/84/31/1065658431.db2.gz MKVUCOAKHJHFTO-QHCPKHFHSA-N 1 2 468.646 2.963 20 0 JFADLO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)CC1 ZINC001292988288 1065675550 /nfs/dbraw/zinc/67/55/50/1065675550.db2.gz WLFNVTLSKPZLBF-UHFFFAOYSA-N 1 2 459.978 2.686 20 0 JFADLO CCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001293089891 1065738915 /nfs/dbraw/zinc/73/89/15/1065738915.db2.gz XCZWRXDCGSBRRJ-RBUKOAKNSA-N 1 2 485.633 2.955 20 0 JFADLO CCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 ZINC001293092947 1065740653 /nfs/dbraw/zinc/74/06/53/1065740653.db2.gz DNHBQSQOTSFZOK-NHCUHLMSSA-N 1 2 495.672 2.550 20 0 JFADLO CCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 ZINC001293092949 1065740716 /nfs/dbraw/zinc/74/07/16/1065740716.db2.gz DNHBQSQOTSFZOK-RTWAWAEBSA-N 1 2 495.672 2.550 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 ZINC001293092749 1065740799 /nfs/dbraw/zinc/74/07/99/1065740799.db2.gz FEPLJKZYMAUIOC-YOEHRIQHSA-N 1 2 456.381 2.852 20 0 JFADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 ZINC001293092749 1065740810 /nfs/dbraw/zinc/74/08/10/1065740810.db2.gz FEPLJKZYMAUIOC-YOEHRIQHSA-N 1 2 456.381 2.852 20 0 JFADLO CCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CC1CCC(F)(F)CC1 ZINC001293130282 1065781110 /nfs/dbraw/zinc/78/11/10/1065781110.db2.gz FFZKUXOYSQFLGW-HXUWFJFHSA-N 1 2 454.610 2.897 20 0 JFADLO CCc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1C[C@H]1CCCCC1(F)F ZINC001293132689 1065785239 /nfs/dbraw/zinc/78/52/39/1065785239.db2.gz YNGSWHJNXUGVGO-UXHICEINSA-N 1 2 454.610 2.897 20 0 JFADLO CCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@H]1CCCCC1(F)F ZINC001293132691 1065785650 /nfs/dbraw/zinc/78/56/50/1065785650.db2.gz YNGSWHJNXUGVGO-WOJBJXKFSA-N 1 2 454.610 2.897 20 0 JFADLO CCc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001293161676 1065798851 /nfs/dbraw/zinc/79/88/51/1065798851.db2.gz RYXQQAISHAPQIA-ROUUACIJSA-N 1 2 459.595 2.653 20 0 JFADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cc(S(N)(=O)=O)cc(Cl)c3F)CC2)c1 ZINC001293202449 1065829879 /nfs/dbraw/zinc/82/98/79/1065829879.db2.gz GDSDBWDOZZEEML-CYBMUJFWSA-N 1 2 455.939 2.654 20 0 JFADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)CN3CCc4cc(OC)c(OC)cc4C3)CC2)c1 ZINC001293204784 1065832123 /nfs/dbraw/zinc/83/21/23/1065832123.db2.gz ZPDOPJGNXRPHQM-LJQANCHMSA-N 1 2 453.583 2.976 20 0 JFADLO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(Cl)cc2OC)n1Cc1c[nH+]ccc1OC ZINC001293219635 1065867240 /nfs/dbraw/zinc/86/72/40/1065867240.db2.gz WXTBOSUXMLINGZ-QGZVFWFLSA-N 1 2 456.934 2.774 20 0 JFADLO CC[C@@H]1C[C@@H](C)CN1c1nnc(Cc2ccccc2OC)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001293316278 1065946475 /nfs/dbraw/zinc/94/64/75/1065946475.db2.gz PBTZCYUTTBCUDL-DENIHFKCSA-N 1 2 454.619 2.666 20 0 JFADLO NC(=O)[C@@H]1CC(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)=NN1c1ccccc1 ZINC001293321942 1065948431 /nfs/dbraw/zinc/94/84/31/1065948431.db2.gz ILXRXXDHOOMQGW-UWJYYQICSA-N 1 2 457.937 2.680 20 0 JFADLO NC(=O)[C@@H]1CC(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)=NN1c1ccccc1 ZINC001293321942 1065948441 /nfs/dbraw/zinc/94/84/41/1065948441.db2.gz ILXRXXDHOOMQGW-UWJYYQICSA-N 1 2 457.937 2.680 20 0 JFADLO Cc1ccc(S(=O)(=O)NC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)c2ccccc2)c(C)c1 ZINC001293398889 1065993427 /nfs/dbraw/zinc/99/34/27/1065993427.db2.gz OJCCAWZEPCGSEV-RBBKRZOGSA-N 1 2 452.580 2.898 20 0 JFADLO CC[C@H]1CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001293445295 1066009065 /nfs/dbraw/zinc/00/90/65/1066009065.db2.gz FNQWIKYMSIIGGW-HBMCJLEFSA-N 1 2 489.665 2.592 20 0 JFADLO CCC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2c2cc(NC)[nH+]cn2)CC1 ZINC001293445537 1066009392 /nfs/dbraw/zinc/00/93/92/1066009392.db2.gz IXTJYGOGYUAVQJ-GOSISDBHSA-N 1 2 455.611 2.543 20 0 JFADLO CCC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2c2cc(NC)nc[nH+]2)CC1 ZINC001293445537 1066009402 /nfs/dbraw/zinc/00/94/02/1066009402.db2.gz IXTJYGOGYUAVQJ-GOSISDBHSA-N 1 2 455.611 2.543 20 0 JFADLO CCC1CCN(c2nnc(COc3ccccc3F)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001293505704 1066029059 /nfs/dbraw/zinc/02/90/59/1066029059.db2.gz LDZLQQAXHRGRFT-UHFFFAOYSA-N 1 2 458.582 2.787 20 0 JFADLO CC[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2c[nH+]ccc2OC)CCO1 ZINC001293509311 1066033760 /nfs/dbraw/zinc/03/37/60/1066033760.db2.gz HSXPFPFUFUXQIZ-LJQANCHMSA-N 1 2 470.961 2.929 20 0 JFADLO CC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCc2nnc(C)[nH]2)CC[N@@H+]1CCOC ZINC001293537524 1066054835 /nfs/dbraw/zinc/05/48/35/1066054835.db2.gz NNLCPSAEDYOUEN-LJQANCHMSA-N 1 2 458.998 2.815 20 0 JFADLO CC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCc2nnc(C)[nH]2)CC[N@H+]1CCOC ZINC001293537524 1066054842 /nfs/dbraw/zinc/05/48/42/1066054842.db2.gz NNLCPSAEDYOUEN-LJQANCHMSA-N 1 2 458.998 2.815 20 0 JFADLO CC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CC)CCCC2)CC[N@@H+]1CCOC ZINC001293593488 1066099323 /nfs/dbraw/zinc/09/93/23/1066099323.db2.gz GHYZHAGSHJBTCF-UXHICEINSA-N 1 2 467.680 2.698 20 0 JFADLO CC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CC)CCCC2)CC[N@H+]1CCOC ZINC001293593488 1066099334 /nfs/dbraw/zinc/09/93/34/1066099334.db2.gz GHYZHAGSHJBTCF-UXHICEINSA-N 1 2 467.680 2.698 20 0 JFADLO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccs2)[NH+](C)C)CCS1 ZINC001293596967 1066109083 /nfs/dbraw/zinc/10/90/83/1066109083.db2.gz WYDUUZDAKWWDQA-BRWVUGGUSA-N 1 2 469.702 2.876 20 0 JFADLO CC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C[C@@H](C)O1 ZINC001293630011 1066144928 /nfs/dbraw/zinc/14/49/28/1066144928.db2.gz NDELEUPRQCFSJC-MBOZVWFJSA-N 1 2 476.572 2.985 20 0 JFADLO CC[C@@H]1CN(c2nnc(COc3ccccc3OC)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC001293645529 1066160722 /nfs/dbraw/zinc/16/07/22/1066160722.db2.gz WACTWDXCAYKCSX-SLFFLAALSA-N 1 2 459.591 2.590 20 0 JFADLO CC[C@@H]1CN(c2nnc(COc3ccccc3OC)n2CC[N@H+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC001293645529 1066160727 /nfs/dbraw/zinc/16/07/27/1066160727.db2.gz WACTWDXCAYKCSX-SLFFLAALSA-N 1 2 459.591 2.590 20 0 JFADLO CC[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001293652905 1066165215 /nfs/dbraw/zinc/16/52/15/1066165215.db2.gz PVPPJUVPMXEHHE-ZCNNSNEGSA-N 1 2 478.638 2.686 20 0 JFADLO CCC[C@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001293798547 1066309711 /nfs/dbraw/zinc/30/97/11/1066309711.db2.gz SRWFPLAUHXRAPL-KCWPFWIISA-N 1 2 497.688 2.915 20 0 JFADLO CCC[C@@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001293818811 1066326212 /nfs/dbraw/zinc/32/62/12/1066326212.db2.gz AJCMEDRMCLLGTQ-NTKDMRAZSA-N 1 2 457.623 2.882 20 0 JFADLO CCC[C@@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001293833243 1066336918 /nfs/dbraw/zinc/33/69/18/1066336918.db2.gz CCXLODLJNMEOEW-XMMPIXPASA-N 1 2 483.642 2.844 20 0 JFADLO CCC[C@@H](C)C(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001293857955 1066365770 /nfs/dbraw/zinc/36/57/70/1066365770.db2.gz YKKWXTGGWWCALL-QGZVFWFLSA-N 1 2 450.591 2.849 20 0 JFADLO CCC[C@H](C)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001293884836 1066388933 /nfs/dbraw/zinc/38/89/33/1066388933.db2.gz JXMYOYBTTOOPQZ-BJLQDIEVSA-N 1 2 455.607 2.770 20 0 JFADLO CC(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)NCCCNc1cccc[nH+]1 ZINC001293928537 1066408026 /nfs/dbraw/zinc/40/80/26/1066408026.db2.gz GUDLAUVAUKFECU-IBGZPJMESA-N 1 2 458.360 2.991 20 0 JFADLO CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CC2([NH+]3CCOCC3)CC2)C1 ZINC001293934118 1066415107 /nfs/dbraw/zinc/41/51/07/1066415107.db2.gz WDDMTFBPOMIBBL-WOJBJXKFSA-N 1 2 460.667 2.962 20 0 JFADLO CCC[C@@H](Cn1c(-c2ccccc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)OC ZINC001293961498 1066461173 /nfs/dbraw/zinc/46/11/73/1066461173.db2.gz AJIOULIEEJHPKM-IRLDBZIGSA-N 1 2 454.619 2.893 20 0 JFADLO CCC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)OC ZINC001293972248 1066474846 /nfs/dbraw/zinc/47/48/46/1066474846.db2.gz PQHLQICUOXIPND-OALUTQOASA-N 1 2 470.622 2.593 20 0 JFADLO CCC[C@@H]1CN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(N3CCO[C@H](C)C3)[nH+]c2)CCO1 ZINC001294054960 1066527907 /nfs/dbraw/zinc/52/79/07/1066527907.db2.gz QRKJCOUCVOYXPY-DENIHFKCSA-N 1 2 499.660 2.870 20 0 JFADLO O=S(=O)(c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1)N1CCCC1 ZINC001164673954 719521511 /nfs/dbraw/zinc/52/15/11/719521511.db2.gz VLJAQIWKJORBEE-UHFFFAOYSA-N 1 2 474.602 2.877 20 0 JFADLO O=S(=O)(c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1)N1CCCC1 ZINC001164673954 719521517 /nfs/dbraw/zinc/52/15/17/719521517.db2.gz VLJAQIWKJORBEE-UHFFFAOYSA-N 1 2 474.602 2.877 20 0 JFADLO O=C(NCCc1ccccn1)[C@@H]1C[C@H]2CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]2O1 ZINC001164703024 719818133 /nfs/dbraw/zinc/81/81/33/719818133.db2.gz UESDAYLVYRWPDS-ICTDUYRTSA-N 1 2 498.631 2.773 20 0 JFADLO O=C(NCCc1ccccn1)[C@@H]1C[C@H]2CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]2O1 ZINC001164703024 719818135 /nfs/dbraw/zinc/81/81/35/719818135.db2.gz UESDAYLVYRWPDS-ICTDUYRTSA-N 1 2 498.631 2.773 20 0 JFADLO O=C(NCCc1ccccn1)[C@@H]1C[C@@H]2CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]2O1 ZINC001164703020 719818232 /nfs/dbraw/zinc/81/82/32/719818232.db2.gz UESDAYLVYRWPDS-CAVYSCNFSA-N 1 2 498.631 2.773 20 0 JFADLO O=C(NCCc1ccccn1)[C@@H]1C[C@@H]2CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]2O1 ZINC001164703020 719818234 /nfs/dbraw/zinc/81/82/34/719818234.db2.gz UESDAYLVYRWPDS-CAVYSCNFSA-N 1 2 498.631 2.773 20 0 JFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C(=O)NCc2ccccc2)cc(Cl)n1 ZINC001164699309 719845264 /nfs/dbraw/zinc/84/52/64/719845264.db2.gz HDXHNSVNFBMFPF-CPJSRVTESA-N 1 2 487.000 2.898 20 0 JFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1ncn2Cc1ccccc1 ZINC001164696612 719847587 /nfs/dbraw/zinc/84/75/87/719847587.db2.gz AKKIGOTXRDWNNL-MHECFPHRSA-N 1 2 484.988 2.761 20 0 JFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1CN(Cc1ccccc1)C2 ZINC001164704719 719847867 /nfs/dbraw/zinc/84/78/67/719847867.db2.gz SLUVXCMYWYYEEQ-DFBJGRDBSA-N 1 2 486.016 2.879 20 0 JFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(Cl)ncc1C(=O)OC(C)(C)C ZINC001164706414 719859680 /nfs/dbraw/zinc/85/96/80/719859680.db2.gz XFNHNMSQKHOOHE-NYHFZMIOSA-N 1 2 453.967 2.923 20 0 JFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc(Oc2cccc(F)c2)n1 ZINC001164703552 719861176 /nfs/dbraw/zinc/86/11/76/719861176.db2.gz QDUFDZYLQJBALE-VFNWGFHPSA-N 1 2 465.913 2.689 20 0 JFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C(OC)OC)ccc1NC(=O)C(C)(C)C ZINC001164700966 719863143 /nfs/dbraw/zinc/86/31/43/719863143.db2.gz ITUSDXFBZMFTAC-SSOJOUAXSA-N 1 2 492.617 2.590 20 0 JFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2ccn(C(=O)c3ccccc3)c2n1 ZINC001164705650 719865427 /nfs/dbraw/zinc/86/54/27/719865427.db2.gz NIMVKRPVPBBQDO-LVXARBLLSA-N 1 2 462.550 2.958 20 0 JFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2nc1N1CCCCC1 ZINC001164707190 719866662 /nfs/dbraw/zinc/86/66/62/719866662.db2.gz RARMMKPDBWCUAT-DFBJGRDBSA-N 1 2 453.587 2.853 20 0 JFADLO COc1cccc(-c2nc3ccccc3c(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)n2)c1 ZINC001164708136 719930814 /nfs/dbraw/zinc/93/08/14/719930814.db2.gz DUEYJOVRJKQTHZ-UHFFFAOYSA-N 1 2 497.603 2.989 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(-c3cccc4ccccc43)nn1)CC2 ZINC001164709077 719931675 /nfs/dbraw/zinc/93/16/75/719931675.db2.gz XKGMGLGOFHJQPE-UHFFFAOYSA-N 1 2 467.577 2.981 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1c(Cl)ccc3c(Cl)ncnc31)CC2 ZINC001164713676 720049119 /nfs/dbraw/zinc/04/91/19/720049119.db2.gz ORDZDVJTNJAQJN-UHFFFAOYSA-N 1 2 460.369 2.620 20 0 JFADLO CCO[C@@H]1CN(c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCCO[C@H]12 ZINC001164712209 720061673 /nfs/dbraw/zinc/06/16/73/720061673.db2.gz KMBHZCDQBRKEGY-SMIHKQSGSA-N 1 2 450.583 2.812 20 0 JFADLO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3[n-]cc(C(=O)OC)c31)CC2 ZINC001164718627 720124870 /nfs/dbraw/zinc/12/48/70/720124870.db2.gz TZEJHKVJBKYEGY-SFHVURJKSA-N 1 2 450.543 2.647 20 0 JFADLO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3[n-]cc(C(=O)OC)c31)CC2 ZINC001164718627 720124879 /nfs/dbraw/zinc/12/48/79/720124879.db2.gz TZEJHKVJBKYEGY-SFHVURJKSA-N 1 2 450.543 2.647 20 0 JFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(Cl)c4cc(OC)ccc4n3)C2)C1 ZINC001164720530 720291851 /nfs/dbraw/zinc/29/18/51/720291851.db2.gz AJWPAMRTYWVHTE-OAQYLSRUSA-N 1 2 483.947 2.502 20 0 JFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(Cl)c4cc(OC)ccc4n3)C2)C1 ZINC001164720530 720291856 /nfs/dbraw/zinc/29/18/56/720291856.db2.gz AJWPAMRTYWVHTE-OAQYLSRUSA-N 1 2 483.947 2.502 20 0 JFADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1[C@@](F)(COc1cncc(Cl)n1)C(F)F ZINC001164723378 720316384 /nfs/dbraw/zinc/31/63/84/720316384.db2.gz OJJPJRLNTJMWPA-KUHUBIRLSA-N 1 2 460.888 2.953 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(N5CCCCC5)nn4)CC3)C2=O)cs1 ZINC001164826552 720358580 /nfs/dbraw/zinc/35/85/80/720358580.db2.gz WYSIWMIZNGPDSX-UHFFFAOYSA-N 1 2 455.632 2.545 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(N5CCCCC5)nn4)CC3)C2=O)cs1 ZINC001164826552 720358585 /nfs/dbraw/zinc/35/85/85/720358585.db2.gz WYSIWMIZNGPDSX-UHFFFAOYSA-N 1 2 455.632 2.545 20 0 JFADLO CCOC(=O)/C=C\c1cccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164826599 720359673 /nfs/dbraw/zinc/35/96/73/720359673.db2.gz XKDMAEPGPLPOGT-FPLPWBNLSA-N 1 2 469.611 2.736 20 0 JFADLO CCOC(=O)/C=C\c1cccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164826599 720359677 /nfs/dbraw/zinc/35/96/77/720359677.db2.gz XKDMAEPGPLPOGT-FPLPWBNLSA-N 1 2 469.611 2.736 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nnc(Cl)c5ccncc54)CC3)C2=O)cs1 ZINC001164824089 720361621 /nfs/dbraw/zinc/36/16/21/720361621.db2.gz ITIUVBWIRNMTMW-UHFFFAOYSA-N 1 2 457.991 2.756 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nnc(Cl)c5ccncc54)CC3)C2=O)cs1 ZINC001164824089 720361630 /nfs/dbraw/zinc/36/16/30/720361630.db2.gz ITIUVBWIRNMTMW-UHFFFAOYSA-N 1 2 457.991 2.756 20 0 JFADLO COC(=O)c1cc(Cl)cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164824146 720362831 /nfs/dbraw/zinc/36/28/31/720362831.db2.gz JQTXXKXPVNCOPG-UHFFFAOYSA-N 1 2 463.991 2.600 20 0 JFADLO COC(=O)c1cc(Cl)cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164824146 720362836 /nfs/dbraw/zinc/36/28/36/720362836.db2.gz JQTXXKXPVNCOPG-UHFFFAOYSA-N 1 2 463.991 2.600 20 0 JFADLO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164820222 720376470 /nfs/dbraw/zinc/37/64/70/720376470.db2.gz MIGUTOOBQWUNHM-PLNGDYQASA-N 1 2 494.621 2.827 20 0 JFADLO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164820222 720376477 /nfs/dbraw/zinc/37/64/77/720376477.db2.gz MIGUTOOBQWUNHM-PLNGDYQASA-N 1 2 494.621 2.827 20 0 JFADLO COC(OC)c1cc(C)cnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164820730 720376607 /nfs/dbraw/zinc/37/66/07/720376607.db2.gz RRVJQRCSTZQNEM-UHFFFAOYSA-N 1 2 459.616 2.760 20 0 JFADLO COC(OC)c1cc(C)cnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164820730 720376613 /nfs/dbraw/zinc/37/66/13/720376613.db2.gz RRVJQRCSTZQNEM-UHFFFAOYSA-N 1 2 459.616 2.760 20 0 JFADLO CCOCc1cnc(Cl)nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164820211 720377686 /nfs/dbraw/zinc/37/76/86/720377686.db2.gz MHDJIORQMGAANC-UHFFFAOYSA-N 1 2 465.023 2.745 20 0 JFADLO CCOCc1cnc(Cl)nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164820211 720377692 /nfs/dbraw/zinc/37/76/92/720377692.db2.gz MHDJIORQMGAANC-UHFFFAOYSA-N 1 2 465.023 2.745 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccnc(-c5nccs5)n4)CC3)C2=O)cs1 ZINC001164820783 720385432 /nfs/dbraw/zinc/38/54/32/720385432.db2.gz CGYVELWKRUSVQX-UHFFFAOYSA-N 1 2 455.613 2.678 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccnc(-c5nccs5)n4)CC3)C2=O)cs1 ZINC001164820783 720385436 /nfs/dbraw/zinc/38/54/36/720385436.db2.gz CGYVELWKRUSVQX-UHFFFAOYSA-N 1 2 455.613 2.678 20 0 JFADLO Clc1nc2c(c(N3CCCn4nnc(Cn5cc[nH+]c5)c4C3)n1)CN(Cc1ccccc1)C2 ZINC001164828249 720398500 /nfs/dbraw/zinc/39/85/00/720398500.db2.gz JDTJPEVRPQFTRB-UHFFFAOYSA-N 1 2 461.961 2.892 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(-c3ccnc(Cl)c3)ccn1)C2 ZINC001164824132 720440277 /nfs/dbraw/zinc/44/02/77/720440277.db2.gz MNSGRNAEMWSEMI-FQEVSTJZSA-N 1 2 468.989 2.983 20 0 JFADLO Cc1sc2nc(C)nc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c2c1C ZINC001164826467 720450171 /nfs/dbraw/zinc/45/01/71/720450171.db2.gz XILPCNCZTNVGDZ-GOSISDBHSA-N 1 2 456.616 2.803 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cccc(-c3cccc(Cl)n3)n1)C2 ZINC001164825649 720453179 /nfs/dbraw/zinc/45/31/79/720453179.db2.gz TUYAVKNOGLTINP-GOSISDBHSA-N 1 2 468.989 2.983 20 0 JFADLO CCOC(=O)c1cc2c(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)[nH]c(C)c(C)c-2n1 ZINC001164830180 720461152 /nfs/dbraw/zinc/46/11/52/720461152.db2.gz JFKPWLHWRWJVLQ-LJQANCHMSA-N 1 2 496.612 2.543 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(-c3ccccc3Cl)nn1)C2 ZINC001164832326 720462988 /nfs/dbraw/zinc/46/29/88/720462988.db2.gz UIZVAIRIEJUAAW-SFHVURJKSA-N 1 2 468.989 2.983 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cccc(OCc3ccccc3)n1)C2 ZINC001164831784 720464919 /nfs/dbraw/zinc/46/49/19/720464919.db2.gz QGUZQBXPPMOQIE-QFIPXVFZSA-N 1 2 463.582 2.847 20 0 JFADLO Cc1cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164835062 720477797 /nfs/dbraw/zinc/47/77/97/720477797.db2.gz WEQSWBLHGAARAX-LJQANCHMSA-N 1 2 484.004 2.687 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)C2 ZINC001164833482 720479177 /nfs/dbraw/zinc/47/91/77/720479177.db2.gz OXWIHSFRDKITBW-SFHVURJKSA-N 1 2 492.020 2.876 20 0 JFADLO Cc1cnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1-c1ccccc1F ZINC001164830989 720480811 /nfs/dbraw/zinc/48/08/11/720480811.db2.gz DPGQLQUETMTCLL-IBGZPJMESA-N 1 2 466.561 2.777 20 0 JFADLO Cc1cc(-c2cccc(F)c2)nnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164831410 720481420 /nfs/dbraw/zinc/48/14/20/720481420.db2.gz FLWXCDBFNVKZHQ-FQEVSTJZSA-N 1 2 466.561 2.777 20 0 JFADLO C[Si](C)(C)c1ccc(Cl)nc1OC(F)(F)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001164859360 720895797 /nfs/dbraw/zinc/89/57/97/720895797.db2.gz PAZJBOVSJUOAGO-UHFFFAOYSA-N 1 2 495.006 2.917 20 0 JFADLO O=C(NCc1ccccn1)[C@@H]1CCO[C@H]2CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]12 ZINC001164757645 721018682 /nfs/dbraw/zinc/01/86/82/721018682.db2.gz FNRYNFVXNRBSRS-OASJLCFRSA-N 1 2 498.631 2.978 20 0 JFADLO O=C(NCc1ccccn1)[C@@H]1CCO[C@H]2CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]12 ZINC001164757645 721018686 /nfs/dbraw/zinc/01/86/86/721018686.db2.gz FNRYNFVXNRBSRS-OASJLCFRSA-N 1 2 498.631 2.978 20 0 JFADLO Cn1cccc1C(=O)NCc1cn2c(n1)CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164870134 721199580 /nfs/dbraw/zinc/19/95/80/721199580.db2.gz SYIRDJWJYLFLEX-UHFFFAOYSA-N 1 2 482.592 2.520 20 0 JFADLO Cn1cccc1C(=O)NCc1cn2c(n1)CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164870134 721199584 /nfs/dbraw/zinc/19/95/84/721199584.db2.gz SYIRDJWJYLFLEX-UHFFFAOYSA-N 1 2 482.592 2.520 20 0 JFADLO CCN1CC[C@@]2(CN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)C[C@H]2C)C1=O ZINC001164777896 721319617 /nfs/dbraw/zinc/31/96/17/721319617.db2.gz MLHTZXSVNHDPDN-ZBLYBZFDSA-N 1 2 461.610 2.734 20 0 JFADLO O=C1CO[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]2N1c1cccc(F)c1 ZINC001164885121 721363076 /nfs/dbraw/zinc/36/30/76/721363076.db2.gz WUNTZLHDUXBMIU-ZEQRLZLVSA-N 1 2 459.525 2.795 20 0 JFADLO O=C1CO[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]2N1c1cccc(F)c1 ZINC001164885121 721363077 /nfs/dbraw/zinc/36/30/77/721363077.db2.gz WUNTZLHDUXBMIU-ZEQRLZLVSA-N 1 2 459.525 2.795 20 0 JFADLO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164790013 721397386 /nfs/dbraw/zinc/39/73/86/721397386.db2.gz WBDFKDWEEHQRRT-ZIAGYGMSSA-N 1 2 456.950 2.536 20 0 JFADLO O=C(c1cccnc1N1Cc2nccn2C[C@H](Cn2cccn2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164895920 721486708 /nfs/dbraw/zinc/48/67/08/721486708.db2.gz OHEONSOIMUPMEF-DEOSSOPVSA-N 1 2 496.619 2.769 20 0 JFADLO CN(C)C(=O)[C@H]1CC12CCN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001164908048 721569839 /nfs/dbraw/zinc/56/98/39/721569839.db2.gz POKPKOADGLYLNE-HSZRJFAPSA-N 1 2 461.610 2.734 20 0 JFADLO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)cc1 ZINC001165008986 721696932 /nfs/dbraw/zinc/69/69/32/721696932.db2.gz MYRZPSACGQOHFO-UHFFFAOYSA-N 1 2 494.625 2.819 20 0 JFADLO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)cc1 ZINC001165008986 721696934 /nfs/dbraw/zinc/69/69/34/721696934.db2.gz MYRZPSACGQOHFO-UHFFFAOYSA-N 1 2 494.625 2.819 20 0 JFADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)Oc1ccc(Cl)nc1Cl)CC2 ZINC001165015430 721765866 /nfs/dbraw/zinc/76/58/66/721765866.db2.gz QKXBIYWWTGKRIJ-UHFFFAOYSA-N 1 2 486.310 2.736 20 0 JFADLO CCOC(=O)c1c(Cl)cc(C)nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912444 721770076 /nfs/dbraw/zinc/77/00/76/721770076.db2.gz MASJJYZYTXMAIT-HSZRJFAPSA-N 1 2 460.962 2.723 20 0 JFADLO CCOC(=O)c1c(Cl)cc(C)nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912444 721770083 /nfs/dbraw/zinc/77/00/83/721770083.db2.gz MASJJYZYTXMAIT-HSZRJFAPSA-N 1 2 460.962 2.723 20 0 JFADLO COCc1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(-c2ccccc2)n1 ZINC001164913281 721771048 /nfs/dbraw/zinc/77/10/48/721771048.db2.gz VNTZIFGTONTNPY-SANMLTNESA-N 1 2 461.566 2.793 20 0 JFADLO COCc1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(-c2ccccc2)n1 ZINC001164913281 721771051 /nfs/dbraw/zinc/77/10/51/721771051.db2.gz VNTZIFGTONTNPY-SANMLTNESA-N 1 2 461.566 2.793 20 0 JFADLO COC(=O)c1ccc2nc(Cl)c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2c1 ZINC001164911943 721771060 /nfs/dbraw/zinc/77/10/60/721771060.db2.gz IRHRUTDZKWJHKI-XMMPIXPASA-N 1 2 483.956 2.573 20 0 JFADLO COC(=O)c1ccc2nc(Cl)c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2c1 ZINC001164911943 721771062 /nfs/dbraw/zinc/77/10/62/721771062.db2.gz IRHRUTDZKWJHKI-XMMPIXPASA-N 1 2 483.956 2.573 20 0 JFADLO Fc1cccc(Oc2cncc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)c1 ZINC001164917072 721789988 /nfs/dbraw/zinc/78/99/88/721789988.db2.gz WPJYGFPDZYJXDO-DEOSSOPVSA-N 1 2 451.502 2.911 20 0 JFADLO Fc1cccc(Oc2cncc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)c1 ZINC001164917072 721789993 /nfs/dbraw/zinc/78/99/93/721789993.db2.gz WPJYGFPDZYJXDO-DEOSSOPVSA-N 1 2 451.502 2.911 20 0 JFADLO COc1ccc(CN2C(=O)CO[C@H]3CN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@H]32)cc1 ZINC001165026001 721794931 /nfs/dbraw/zinc/79/49/31/721794931.db2.gz XDNIOAMBURTMRB-FTJBHMTQSA-N 1 2 485.588 2.660 20 0 JFADLO COc1ccc(CN2C(=O)CO[C@H]3CN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@H]32)cc1 ZINC001165026001 721794934 /nfs/dbraw/zinc/79/49/34/721794934.db2.gz XDNIOAMBURTMRB-FTJBHMTQSA-N 1 2 485.588 2.660 20 0 JFADLO COc1ccc(CN2C(=O)CO[C@H]3CN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@@H]32)cc1 ZINC001165026003 721794998 /nfs/dbraw/zinc/79/49/98/721794998.db2.gz XDNIOAMBURTMRB-UIOOFZCWSA-N 1 2 485.588 2.660 20 0 JFADLO COc1ccc(CN2C(=O)CO[C@H]3CN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@@H]32)cc1 ZINC001165026003 721794999 /nfs/dbraw/zinc/79/49/99/721794999.db2.gz XDNIOAMBURTMRB-UIOOFZCWSA-N 1 2 485.588 2.660 20 0 JFADLO FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913690 721796055 /nfs/dbraw/zinc/79/60/55/721796055.db2.gz FZLOUNVCUIRMMK-FQEVSTJZSA-N 1 2 464.904 2.659 20 0 JFADLO FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913690 721796056 /nfs/dbraw/zinc/79/60/56/721796056.db2.gz FZLOUNVCUIRMMK-FQEVSTJZSA-N 1 2 464.904 2.659 20 0 JFADLO Cc1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(NC(=O)c2ccccc2)n1 ZINC001164913254 721798676 /nfs/dbraw/zinc/79/86/76/721798676.db2.gz CGIPMPQHGHDJIV-AREMUKBSSA-N 1 2 474.565 2.540 20 0 JFADLO Cc1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(NC(=O)c2ccccc2)n1 ZINC001164913254 721798677 /nfs/dbraw/zinc/79/86/77/721798677.db2.gz CGIPMPQHGHDJIV-AREMUKBSSA-N 1 2 474.565 2.540 20 0 JFADLO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914705 721801857 /nfs/dbraw/zinc/80/18/57/721801857.db2.gz QPINGLLMJICLPS-HXUWFJFHSA-N 1 2 496.971 2.873 20 0 JFADLO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914705 721801858 /nfs/dbraw/zinc/80/18/58/721801858.db2.gz QPINGLLMJICLPS-HXUWFJFHSA-N 1 2 496.971 2.873 20 0 JFADLO CCOC(=O)c1cnc(C(F)(F)N2CCC3(CC2)c2ncc(C)n2CC[N@H+]3C)nc1Cl ZINC001164917205 721812533 /nfs/dbraw/zinc/81/25/33/721812533.db2.gz LEXNBCZISHHSBL-UHFFFAOYSA-N 1 2 454.909 2.798 20 0 JFADLO CCOC(=O)c1cnc(C(F)(F)N2CCC3(CC2)c2ncc(C)n2CC[N@@H+]3C)nc1Cl ZINC001164917205 721812534 /nfs/dbraw/zinc/81/25/34/721812534.db2.gz LEXNBCZISHHSBL-UHFFFAOYSA-N 1 2 454.909 2.798 20 0 JFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nccc(-c3cnc(N4CCCCC4)nc3)n1)CC2 ZINC001164945039 721975588 /nfs/dbraw/zinc/97/55/88/721975588.db2.gz AZBJQQFYYFYBIV-UHFFFAOYSA-N 1 2 498.635 2.895 20 0 JFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nccc(-c3cnc(N4CCCCC4)nc3)n1)CC2 ZINC001164945039 721975591 /nfs/dbraw/zinc/97/55/91/721975591.db2.gz AZBJQQFYYFYBIV-UHFFFAOYSA-N 1 2 498.635 2.895 20 0 JFADLO CC1CCN(C(=O)c2ccc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nc2)CC1 ZINC001164945053 721977938 /nfs/dbraw/zinc/97/79/38/721977938.db2.gz BEGQYFMKZSSJKZ-UHFFFAOYSA-N 1 2 461.610 2.925 20 0 JFADLO CC1CCN(C(=O)c2ccc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nc2)CC1 ZINC001164945053 721977941 /nfs/dbraw/zinc/97/79/41/721977941.db2.gz BEGQYFMKZSSJKZ-UHFFFAOYSA-N 1 2 461.610 2.925 20 0 JFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc(-c3ccc4c(c3)OCCO4)nn1)CC2 ZINC001164945863 721978947 /nfs/dbraw/zinc/97/89/47/721978947.db2.gz GTBPLWVZHBWTRH-UHFFFAOYSA-N 1 2 471.561 2.886 20 0 JFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc(-c3ccc4c(c3)OCCO4)nn1)CC2 ZINC001164945863 721978950 /nfs/dbraw/zinc/97/89/50/721978950.db2.gz GTBPLWVZHBWTRH-UHFFFAOYSA-N 1 2 471.561 2.886 20 0 JFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN([C@](F)(COc1cncc(Cl)n1)C(F)F)CC2 ZINC001164949322 721979365 /nfs/dbraw/zinc/97/93/65/721979365.db2.gz OQSUEAHISLGJKV-JOCHJYFZSA-N 1 2 483.922 2.906 20 0 JFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN([C@](F)(COc1cncc(Cl)n1)C(F)F)CC2 ZINC001164949322 721979368 /nfs/dbraw/zinc/97/93/68/721979368.db2.gz OQSUEAHISLGJKV-JOCHJYFZSA-N 1 2 483.922 2.906 20 0 JFADLO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@](F)(N2CC[NH+](CCc3ccccn3)CC2)C1=O ZINC001165056578 722016693 /nfs/dbraw/zinc/01/66/93/722016693.db2.gz XCVSGWGIDSXMIH-DEOSSOPVSA-N 1 2 488.011 2.777 20 0 JFADLO O=C(NCc1ccncc1)C1=NO[C@]2(C1)CCCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164994800 722217743 /nfs/dbraw/zinc/21/77/43/722217743.db2.gz DOJAIPQDLCUJLA-NDEPHWFRSA-N 1 2 497.603 2.862 20 0 JFADLO O=C(NCc1ccncc1)C1=NO[C@]2(C1)CCCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164994800 722217744 /nfs/dbraw/zinc/21/77/44/722217744.db2.gz DOJAIPQDLCUJLA-NDEPHWFRSA-N 1 2 497.603 2.862 20 0 JFADLO C[C@@H](C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc2ccccc2c1 ZINC001264557989 1059613323 /nfs/dbraw/zinc/61/33/23/1059613323.db2.gz XEIBOBNQFDMHLU-LJQANCHMSA-N 1 2 452.580 2.607 20 0 JFADLO CCCOc1cc(OC)ccc1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001265018870 1059752117 /nfs/dbraw/zinc/75/21/17/1059752117.db2.gz GZGDNXACYLKALO-GOSISDBHSA-N 1 2 455.559 2.509 20 0 JFADLO CCCOc1cc(OC)ccc1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001265018870 1059752134 /nfs/dbraw/zinc/75/21/34/1059752134.db2.gz GZGDNXACYLKALO-GOSISDBHSA-N 1 2 455.559 2.509 20 0 JFADLO CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001265019306 1059753787 /nfs/dbraw/zinc/75/37/87/1059753787.db2.gz TVLBEAWBJIIGFM-IEBWSBKVSA-N 1 2 459.978 2.909 20 0 JFADLO CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001265019306 1059753801 /nfs/dbraw/zinc/75/38/01/1059753801.db2.gz TVLBEAWBJIIGFM-IEBWSBKVSA-N 1 2 459.978 2.909 20 0 JFADLO C[C@@H](C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccc(I)cc1 ZINC001265166719 1059786889 /nfs/dbraw/zinc/78/68/89/1059786889.db2.gz PKIZLRRUAAGURZ-CQSZACIVSA-N 1 2 454.312 2.562 20 0 JFADLO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cc(C[NH+]4CCOCC4)ccc3C)C2=O)cc1 ZINC001265309644 1059822564 /nfs/dbraw/zinc/82/25/64/1059822564.db2.gz XGFPHMBXASVEJN-VWLOTQADSA-N 1 2 450.539 2.541 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cccn(CC(=O)OC(C)(C)C)c1=O ZINC001265483772 1059870479 /nfs/dbraw/zinc/87/04/79/1059870479.db2.gz IIBRGLBLAJRPPV-UHFFFAOYSA-N 1 2 454.571 2.964 20 0 JFADLO COc1ccc(-n2nnc(C(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c2C)cc1 ZINC001265876438 1059937936 /nfs/dbraw/zinc/93/79/36/1059937936.db2.gz GGGLUSSYYASXSO-UHFFFAOYSA-N 1 2 454.962 2.790 20 0 JFADLO Cc1c[nH+]c2cc(C(=O)N3CCN(CC(=O)Nc4ccc(Br)cc4)CC3)ccn12 ZINC001265877150 1059939280 /nfs/dbraw/zinc/93/92/80/1059939280.db2.gz XFQCXLSMPMDHPK-UHFFFAOYSA-N 1 2 456.344 2.802 20 0 JFADLO C[C@H](CO[C@@H]1CCOC1)NC(=O)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001266103954 1059963238 /nfs/dbraw/zinc/96/32/38/1059963238.db2.gz BOOUHNALXLMGFW-WIYYLYMNSA-N 1 2 458.990 2.981 20 0 JFADLO Cc1ccc(CN(C)c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCOCC3)[nH+]c2)s1 ZINC001289631251 1061265872 /nfs/dbraw/zinc/26/58/72/1061265872.db2.gz UHAOKCJOSRJJQB-UHFFFAOYSA-N 1 2 469.615 2.703 20 0 JFADLO Cc1ccc(Cn2c(CC(C)(C)C)nnc2N(C)CC[NH+]2CCOCC2)c(N2CCOCC2)c1 ZINC001289680608 1061295666 /nfs/dbraw/zinc/29/56/66/1061295666.db2.gz JNUPGEHEGAMXRG-UHFFFAOYSA-N 1 2 470.662 2.828 20 0 JFADLO CC(=O)N1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCOC[C@H]2C)[C@@H](C)C1 ZINC001286882163 1061309109 /nfs/dbraw/zinc/30/91/09/1061309109.db2.gz FADPNIASHXWHTM-LEWJYISDSA-N 1 2 498.672 2.932 20 0 JFADLO CC(=O)N1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCOC[C@H]2C)[C@@H](C)C1 ZINC001286882163 1061309127 /nfs/dbraw/zinc/30/91/27/1061309127.db2.gz FADPNIASHXWHTM-LEWJYISDSA-N 1 2 498.672 2.932 20 0 JFADLO Cc1ccc(NC(=O)c2nnc(N(C)CCn3cccn3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1C ZINC001289726537 1061335431 /nfs/dbraw/zinc/33/54/31/1061335431.db2.gz JMVPLUHMEFNXRX-UHFFFAOYSA-N 1 2 480.617 2.591 20 0 JFADLO Cc1ccc(NC(=O)c2nnc(N(C)CCn3cccn3)n2CC[N@H+]2CCOC(C)(C)C2)cc1C ZINC001289726537 1061335450 /nfs/dbraw/zinc/33/54/50/1061335450.db2.gz JMVPLUHMEFNXRX-UHFFFAOYSA-N 1 2 480.617 2.591 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Br)s3)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001286888523 1061341459 /nfs/dbraw/zinc/34/14/59/1061341459.db2.gz BFDFPORYNQIYLB-OAHLLOKOSA-N 1 2 497.463 2.548 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)CC2CC(F)C2)CC1 ZINC001286888754 1061343753 /nfs/dbraw/zinc/34/37/53/1061343753.db2.gz DKYLKIJEQVWHLE-QHGAOEGBSA-N 1 2 476.572 2.906 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccc(Cl)cc3)nnc2N(C)Cc2nccs2)CC1 ZINC001286889109 1061345411 /nfs/dbraw/zinc/34/54/11/1061345411.db2.gz CXMINUOJSBSCFG-UHFFFAOYSA-N 1 2 474.034 2.779 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(N(C)[C@@H](C)c3ccccc3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001286889194 1061346349 /nfs/dbraw/zinc/34/63/49/1061346349.db2.gz GBLQBNBBNGFNON-LVXARBLLSA-N 1 2 484.645 2.680 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(N(C)[C@H](C)c3ccccc3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001286889195 1061346388 /nfs/dbraw/zinc/34/63/88/1061346388.db2.gz GBLQBNBBNGFNON-QFQXNSOFSA-N 1 2 484.645 2.680 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001286889465 1061348616 /nfs/dbraw/zinc/34/86/16/1061348616.db2.gz IODYHOGIWMEYIR-NRFANRHFSA-N 1 2 484.645 2.642 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001286889472 1061348691 /nfs/dbraw/zinc/34/86/91/1061348691.db2.gz IYHTUGLFOZSOGN-YPAWHYETSA-N 1 2 490.693 2.612 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccc(F)cc3)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001286889736 1061350140 /nfs/dbraw/zinc/35/01/40/1061350140.db2.gz JWOTYFVEHOZZGL-QFIPXVFZSA-N 1 2 474.650 2.750 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3csc(C)n3)nnc2N2CC[C@@H](CC(C)C)C2)CC1 ZINC001286889758 1061350303 /nfs/dbraw/zinc/35/03/03/1061350303.db2.gz KFDHJHUELIFYLN-FQEVSTJZSA-N 1 2 459.664 2.670 20 0 JFADLO Cc1ccc(NC(=O)c2nnc(N3CCCO[C@@H](C)C3)n2CC[N@@H+]2CCOCC2(C)C)cc1C ZINC001289738689 1061351287 /nfs/dbraw/zinc/35/12/87/1061351287.db2.gz CQTKFOXPWXFYQT-FQEVSTJZSA-N 1 2 470.618 2.873 20 0 JFADLO Cc1ccc(NC(=O)c2nnc(N3CCCO[C@@H](C)C3)n2CC[N@H+]2CCOCC2(C)C)cc1C ZINC001289738689 1061351303 /nfs/dbraw/zinc/35/13/03/1061351303.db2.gz CQTKFOXPWXFYQT-FQEVSTJZSA-N 1 2 470.618 2.873 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(CCOc3ccccc3)nnc2N2C[C@H](C)CC[C@@H]2C)CC1 ZINC001286889898 1061352544 /nfs/dbraw/zinc/35/25/44/1061352544.db2.gz MRVPFBBYUBFXPP-RTWAWAEBSA-N 1 2 454.619 2.689 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3cccnc3)nnc2N(C)C/C(C)=C/c2ccccc2)CC1 ZINC001286890377 1061354329 /nfs/dbraw/zinc/35/43/29/1061354329.db2.gz PJNSILIFHRTSBJ-RELWKKBWSA-N 1 2 473.625 2.968 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCO3)nnc2N(C)CCc2ccc(Cl)cc2)CC1 ZINC001286890729 1061356547 /nfs/dbraw/zinc/35/65/47/1061356547.db2.gz VFUCISPLQCOMNQ-OAQYLSRUSA-N 1 2 461.010 2.626 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3cc(C)cc(C)c3)nnc2N2CCSC(C)(C)C2)CC1 ZINC001286890998 1061357714 /nfs/dbraw/zinc/35/77/14/1061357714.db2.gz XXPAKOJDFBNPQH-UHFFFAOYSA-N 1 2 486.686 2.970 20 0 JFADLO CC(=O)Nc1ccc(Cn2c(C)nnc2N2CC[NH+](CCOc3ccccc3Cl)CC2)cn1 ZINC001286894284 1061371950 /nfs/dbraw/zinc/37/19/50/1061371950.db2.gz PRYQZOJYMGLKHE-UHFFFAOYSA-N 1 2 469.977 2.843 20 0 JFADLO CC(=O)Nc1ccc(Cn2c(-c3ccccc3Cl)nnc2N(C)CC[NH+]2CCOCC2)cn1 ZINC001286898995 1061387834 /nfs/dbraw/zinc/38/78/34/1061387834.db2.gz ZVNUVBGNYCHIJF-UHFFFAOYSA-N 1 2 469.977 2.769 20 0 JFADLO Cc1ccc(OCc2nnc(N(C)Cc3cnccn3)n2C[C@H](C)[NH+]2CCOCC2)cc1C ZINC001289782340 1061404675 /nfs/dbraw/zinc/40/46/75/1061404675.db2.gz GZCVUSGOIZQJPL-FQEVSTJZSA-N 1 2 451.575 2.621 20 0 JFADLO Cc1ccc(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2CC2(C(=O)N(C)C)CCCC2)cc1C ZINC001289786666 1061412199 /nfs/dbraw/zinc/41/21/99/1061412199.db2.gz IRIUQFGUHCZBMZ-UHFFFAOYSA-N 1 2 498.672 2.891 20 0 JFADLO Cc1ccc(OCc2nnc(N(C)CCN3CCOCC3)n2Cc2ccc(N(C)C)[nH+]c2)cc1C ZINC001289787160 1061413475 /nfs/dbraw/zinc/41/34/75/1061413475.db2.gz MSIQWWOISQYQRD-UHFFFAOYSA-N 1 2 479.629 2.752 20 0 JFADLO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001286905916 1061422426 /nfs/dbraw/zinc/42/24/26/1061422426.db2.gz BMAQWROTOACOIU-GDBMZVCRSA-N 1 2 497.463 2.595 20 0 JFADLO CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001286911947 1061465892 /nfs/dbraw/zinc/46/58/92/1061465892.db2.gz MCRVJLBBHYTEJG-NRFANRHFSA-N 1 2 463.586 2.780 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[N@H+]2CCOC[C@H]2C)cc1C ZINC001289828987 1061505737 /nfs/dbraw/zinc/50/57/37/1061505737.db2.gz RMLWBRJUQFRYQJ-UYAOXDASSA-N 1 2 483.535 2.962 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[N@@H+]2CCOC[C@H]2C)cc1C ZINC001289828987 1061505748 /nfs/dbraw/zinc/50/57/48/1061505748.db2.gz RMLWBRJUQFRYQJ-UYAOXDASSA-N 1 2 483.535 2.962 20 0 JFADLO CCC[C@H]1CN(c2nnc(COc3ccc(OC)cc3)n2CC[N@@H+]2CCOC[C@H]2C)CCO1 ZINC001294098737 1061578959 /nfs/dbraw/zinc/57/89/59/1061578959.db2.gz JVRVDGRCXVKCQZ-KNQAVFIVSA-N 1 2 459.591 2.592 20 0 JFADLO CCC[C@H]1CN(c2nnc(COc3ccc(OC)cc3)n2CC[N@H+]2CCOC[C@H]2C)CCO1 ZINC001294098737 1061578973 /nfs/dbraw/zinc/57/89/73/1061578973.db2.gz JVRVDGRCXVKCQZ-KNQAVFIVSA-N 1 2 459.591 2.592 20 0 JFADLO Cc1cccc([C@@H](Cn2c(CC(C)C)nnc2N2CC[C@@](C)(C(N)=O)C2)[NH+]2CCOCC2)c1 ZINC001289894871 1061580910 /nfs/dbraw/zinc/58/09/10/1061580910.db2.gz ZNBSWHZTQUTSHT-PXDATVDWSA-N 1 2 454.619 2.560 20 0 JFADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(-c3cccc(C)n3)nnc1N(C)[C@@H](C)CS(C)(=O)=O)CCC2 ZINC001289908321 1061596732 /nfs/dbraw/zinc/59/67/32/1061596732.db2.gz FNMQNADNBPIECH-ZWKOTPCHSA-N 1 2 457.604 2.600 20 0 JFADLO Cc1cccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CC2([S@@](C)=O)CCC2)n1 ZINC001289913006 1061605864 /nfs/dbraw/zinc/60/58/64/1061605864.db2.gz QBVKWBNDJIBZLV-MGBGTMOVSA-N 1 2 474.675 2.744 20 0 JFADLO Cc1cccc(-c2nnc(N(C)CCCNC(=O)C3CCC3)n2Cc2ccc(N(C)C)[nH+]c2)n1 ZINC001289928926 1061618458 /nfs/dbraw/zinc/61/84/58/1061618458.db2.gz LCMXMFDHLGXLQG-UHFFFAOYSA-N 1 2 462.602 2.900 20 0 JFADLO Cc1cccc(-c2nnc(N3CC[NH+]([C@H](C)C(=O)N4CCCC4)CC3)n2C[C@](C)(O)CCC(C)C)n1 ZINC001289981335 1061703132 /nfs/dbraw/zinc/70/31/32/1061703132.db2.gz SJWNHIBOSJLXDW-AJTFRIOCSA-N 1 2 497.688 2.969 20 0 JFADLO Cc1cccc(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](c3ccco3)C2)[nH+]1 ZINC001290004085 1061730235 /nfs/dbraw/zinc/73/02/35/1061730235.db2.gz XSSRFZNTGPASLE-QZTJIDSGSA-N 1 2 458.588 2.811 20 0 JFADLO Cc1cccc(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(F)F)C2)[nH+]1 ZINC001290004204 1061730598 /nfs/dbraw/zinc/73/05/98/1061730598.db2.gz YOIXFLORBNZBQC-CVEARBPZSA-N 1 2 456.563 2.706 20 0 JFADLO Cc1cccc(CCCn2c(C(=O)N3CCCC3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)[nH+]1 ZINC001290004284 1061730908 /nfs/dbraw/zinc/73/09/08/1061730908.db2.gz ZUPGWRUCOWPIIC-GOSISDBHSA-N 1 2 479.551 2.923 20 0 JFADLO Cc1cccc(CCCn2c(COc3ccccc3F)nnc2N2CC(=O)N(C)C[C@@H]2C)[nH+]1 ZINC001290009705 1061733764 /nfs/dbraw/zinc/73/37/64/1061733764.db2.gz RUPXAYNUKLAUBR-SFHVURJKSA-N 1 2 452.534 2.999 20 0 JFADLO Cc1cccc(CCn2c(CC(C)C)nnc2N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1 ZINC001290023559 1061744538 /nfs/dbraw/zinc/74/45/38/1061744538.db2.gz UALLFHRJJABJTB-NRFANRHFSA-N 1 2 453.635 2.556 20 0 JFADLO Cc1cccc(CCn2c(CC(C)C)nnc2N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1 ZINC001290023560 1061744587 /nfs/dbraw/zinc/74/45/87/1061744587.db2.gz UALLFHRJJABJTB-OAQYLSRUSA-N 1 2 453.635 2.556 20 0 JFADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(C(C)(C)C)n2CCOCC(F)(F)C(F)F)CC1 ZINC001286972296 1061753141 /nfs/dbraw/zinc/75/31/41/1061753141.db2.gz QAYJJQMDMMJLMU-MRXNPFEDSA-N 1 2 492.562 2.626 20 0 JFADLO CC[N@@H+]1CCO[C@H](C(=O)Nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2OC)C1 ZINC001290041244 1061756658 /nfs/dbraw/zinc/75/66/58/1061756658.db2.gz WFUGXPYDKFPJPR-IBGZPJMESA-N 1 2 453.948 2.809 20 0 JFADLO CC[N@H+]1CCO[C@H](C(=O)Nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2OC)C1 ZINC001290041244 1061756682 /nfs/dbraw/zinc/75/66/82/1061756682.db2.gz WFUGXPYDKFPJPR-IBGZPJMESA-N 1 2 453.948 2.809 20 0 JFADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001286974133 1061766974 /nfs/dbraw/zinc/76/69/74/1061766974.db2.gz AZLBYKWYGKXSNT-ZIFCJYIRSA-N 1 2 476.672 2.886 20 0 JFADLO C[C@H]([C@H](C)N(C)c1nnc([C@H]2CCCO2)n1CC[N@H+](C)Cc1ccc(F)cc1)S(C)(=O)=O ZINC001286978245 1061797196 /nfs/dbraw/zinc/79/71/96/1061797196.db2.gz PPVRMOLYCPNLFE-SQGPQFPESA-N 1 2 467.611 2.659 20 0 JFADLO C[C@H]([C@H](C)N(C)c1nnc([C@H]2CCCO2)n1CC[N@@H+](C)Cc1ccc(F)cc1)S(C)(=O)=O ZINC001286978245 1061797223 /nfs/dbraw/zinc/79/72/23/1061797223.db2.gz PPVRMOLYCPNLFE-SQGPQFPESA-N 1 2 467.611 2.659 20 0 JFADLO Nc1cc(I)ccc1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001290079340 1061809507 /nfs/dbraw/zinc/80/95/07/1061809507.db2.gz UYHMHIGONXBEKK-UHFFFAOYSA-N 1 2 451.308 2.710 20 0 JFADLO Cc1ccccc1-c1nnc(N(C)CCS(C)(=O)=O)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001290109298 1061836614 /nfs/dbraw/zinc/83/66/14/1061836614.db2.gz DOTZIHNCAAPQBN-RTBURBONSA-N 1 2 463.648 2.622 20 0 JFADLO Cc1ccccc1-c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CC[S@@](=O)C(C)(C)C ZINC001290117676 1061845245 /nfs/dbraw/zinc/84/52/45/1061845245.db2.gz QAQUKQXKZJSZMD-QTYPKTMWSA-N 1 2 459.660 2.959 20 0 JFADLO Cc1ccccc1-c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1CCCNc1cccc[nH+]1 ZINC001290123373 1061852472 /nfs/dbraw/zinc/85/24/72/1061852472.db2.gz BKGHYDISJWPZFW-FQEVSTJZSA-N 1 2 483.642 2.916 20 0 JFADLO CCCCNC(=O)[C@@H]1CCCN(c2nnc(C)n2C[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC001294339350 1061884373 /nfs/dbraw/zinc/88/43/73/1061884373.db2.gz ZLDQABJPHIZASI-DHIUTWEWSA-N 1 2 454.619 2.793 20 0 JFADLO Cc1ccccc1O[C@H](C)Cn1c(Cc2ccncc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001290206167 1061950765 /nfs/dbraw/zinc/95/07/65/1061950765.db2.gz XPPAXJWBUPMCCX-OAQYLSRUSA-N 1 2 450.587 2.808 20 0 JFADLO CC(C)OCC[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)N[C@@H](C)c3ccccc3)c2)CC1 ZINC001294398997 1061967968 /nfs/dbraw/zinc/96/79/68/1061967968.db2.gz YALJCNOHCKWNJC-FQEVSTJZSA-N 1 2 459.612 2.909 20 0 JFADLO CC1=CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC001290231711 1061980174 /nfs/dbraw/zinc/98/01/74/1061980174.db2.gz WWZARUVFSPVLCF-LJQANCHMSA-N 1 2 473.647 2.724 20 0 JFADLO CCN(C[C@H]1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)C1)CC(F)(F)F ZINC001294436039 1061989621 /nfs/dbraw/zinc/98/96/21/1061989621.db2.gz AARBATNQXPGOKN-APWZRJJASA-N 1 2 457.541 2.750 20 0 JFADLO CCN(C[C@H]1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C1)CC(F)(F)F ZINC001294436039 1061989650 /nfs/dbraw/zinc/98/96/50/1061989650.db2.gz AARBATNQXPGOKN-APWZRJJASA-N 1 2 457.541 2.750 20 0 JFADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1 ZINC001290268332 1061999040 /nfs/dbraw/zinc/99/90/40/1061999040.db2.gz ZJGQHIOBBVMVBC-QFIPXVFZSA-N 1 2 453.558 2.878 20 0 JFADLO CC(C)(C)[NH+]1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001287044096 1062018098 /nfs/dbraw/zinc/01/80/98/1062018098.db2.gz PKMHTRWYYFUDFV-GOSISDBHSA-N 1 2 451.662 2.676 20 0 JFADLO Cc1cn2c([nH+]1)[C@H](Cn1c(Cc3ccc(Cl)cc3)nnc1N(C)CCNS(C)(=O)=O)CCC2 ZINC001290293667 1062022159 /nfs/dbraw/zinc/02/21/59/1062022159.db2.gz IAUUBUIHOOWRLN-SFHVURJKSA-N 1 2 492.049 2.590 20 0 JFADLO CC(C)(C)[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSc2ccccc2)CC1 ZINC001287045174 1062022660 /nfs/dbraw/zinc/02/26/60/1062022660.db2.gz ZMWVOJIGZQKCEE-GOSISDBHSA-N 1 2 463.673 2.893 20 0 JFADLO Cc1cn2c([nH+]1)[C@H](Cn1c(N(C)CC(=O)NC(C)(C)C)nnc1[C@@]1(OC(C)C)CCOC1)CCC2 ZINC001290296229 1062026047 /nfs/dbraw/zinc/02/60/47/1062026047.db2.gz RIBGBDGMXOOVPA-UQBPGWFLSA-N 1 2 487.649 2.752 20 0 JFADLO Cc1cc(N2CCN(C(=O)c3ccc(NS(C)(=O)=O)cc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC001290321089 1062046905 /nfs/dbraw/zinc/04/69/05/1062046905.db2.gz VWHQOPNVVFUWHS-UHFFFAOYSA-N 1 2 451.980 2.896 20 0 JFADLO CCCN(Cc1ccc(F)cc1C)c1nnc(CN2CCCC2=O)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001294535621 1062069159 /nfs/dbraw/zinc/06/91/59/1062069159.db2.gz GUARTOGBCQSSLQ-FQEVSTJZSA-N 1 2 472.609 2.985 20 0 JFADLO CCCN(Cc1ccc(F)cc1C)c1nnc(CN2CCCC2=O)n1CC[N@H+]1CCOC[C@@H]1C ZINC001294535621 1062069183 /nfs/dbraw/zinc/06/91/83/1062069183.db2.gz GUARTOGBCQSSLQ-FQEVSTJZSA-N 1 2 472.609 2.985 20 0 JFADLO Cc1nc(C)c(Cn2c(C(C)C)nnc2N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)s1 ZINC001290371928 1062075582 /nfs/dbraw/zinc/07/55/82/1062075582.db2.gz MSWYWSDESCRZKJ-HXUWFJFHSA-N 1 2 461.680 2.754 20 0 JFADLO CCCN(CCC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001294564521 1062081586 /nfs/dbraw/zinc/08/15/86/1062081586.db2.gz LWQOREFQVHLPBB-WOJBJXKFSA-N 1 2 480.654 2.934 20 0 JFADLO CCCN(CCC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001294564521 1062081608 /nfs/dbraw/zinc/08/16/08/1062081608.db2.gz LWQOREFQVHLPBB-WOJBJXKFSA-N 1 2 480.654 2.934 20 0 JFADLO Cc1nc(Cc2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H](C)c2c(C)noc2C)cs1 ZINC001290402507 1062108709 /nfs/dbraw/zinc/10/87/09/1062108709.db2.gz ZDSUMWREKGLCLM-OAHLLOKOSA-N 1 2 459.620 2.811 20 0 JFADLO CCOc1ccc(C[NH+]2CCN(C(=O)c3c(CNC(=O)OC(C)(C)C)cnn3C)CC2)cc1 ZINC001290410114 1062125290 /nfs/dbraw/zinc/12/52/90/1062125290.db2.gz ZIBMVJIXAVUACU-UHFFFAOYSA-N 1 2 457.575 2.802 20 0 JFADLO Cc1nc(Cc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)cs1 ZINC001290411025 1062131028 /nfs/dbraw/zinc/13/10/28/1062131028.db2.gz UXKGWNZUZRWPNI-KBXCAEBGSA-N 1 2 475.569 2.527 20 0 JFADLO Cc1nc(Cc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@H](c2ccsc2)[NH+](C)C)cs1 ZINC001290420889 1062156261 /nfs/dbraw/zinc/15/62/61/1062156261.db2.gz GKEVFOCHBWMQLD-QZTJIDSGSA-N 1 2 480.685 2.622 20 0 JFADLO Cc1nc(Cc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CC[S@@](=O)C(C)(C)C)cs1 ZINC001290435252 1062203783 /nfs/dbraw/zinc/20/37/83/1062203783.db2.gz LCBHOMXCOOWYBB-JGCGQSQUSA-N 1 2 482.720 2.728 20 0 JFADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CCNC(=O)c2cc(F)ccc2Br)C1 ZINC001294660506 1062209559 /nfs/dbraw/zinc/20/95/59/1062209559.db2.gz PKJHIJCYSXSWCV-CQSZACIVSA-N 1 2 451.340 2.923 20 0 JFADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC001294660532 1062209655 /nfs/dbraw/zinc/20/96/55/1062209655.db2.gz QIIVPZNFKIIQIM-MRXNPFEDSA-N 1 2 450.992 2.953 20 0 JFADLO Cc1sc2nc(C)nc(SCC(=O)N3CC[C@@H](OCC[NH+]4CCOCC4)C3)c2c1C ZINC001294690929 1062249981 /nfs/dbraw/zinc/24/99/81/1062249981.db2.gz NRGARTLHNHUKCD-QGZVFWFLSA-N 1 2 450.630 2.658 20 0 JFADLO CCCN1CCCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(N3CCCC3)[nH+]c2)CC1=O ZINC001294712186 1062281711 /nfs/dbraw/zinc/28/17/11/1062281711.db2.gz PXXRBGRKHONISJ-UHFFFAOYSA-N 1 2 496.660 2.689 20 0 JFADLO Cc1ncc(C[NH+]2CCN(c3nnc([C@@H]4CCOC4)n3CCCOC(F)(F)F)CC2)s1 ZINC001290496744 1062286837 /nfs/dbraw/zinc/28/68/37/1062286837.db2.gz ROMMJXVKDIHPIW-OAHLLOKOSA-N 1 2 460.526 2.796 20 0 JFADLO Cc1nc(N2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CCOC(C)C)CC2)cc[nH+]1 ZINC001290500571 1062291916 /nfs/dbraw/zinc/29/19/16/1062291916.db2.gz CAHHIXAARQRHFU-UHFFFAOYSA-N 1 2 475.395 2.886 20 0 JFADLO Cc1nc(N2CCN(c3nnc(Cc4ccccn4)n3CCSC(F)(F)F)CC2)cc[nH+]1 ZINC001290501818 1062295087 /nfs/dbraw/zinc/29/50/87/1062295087.db2.gz SIAXFMFYPXIGPR-UHFFFAOYSA-N 1 2 464.521 2.942 20 0 JFADLO Cc1nc(N2CCN(c3nnc(CC(C)C)n3CC[C@H](N3CCOCC3)C(F)(F)F)CC2)cc[nH+]1 ZINC001290501977 1062296083 /nfs/dbraw/zinc/29/60/83/1062296083.db2.gz USABNLGCRCTSEM-IBGZPJMESA-N 1 2 496.582 2.555 20 0 JFADLO CC(C)(O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001287096179 1062300836 /nfs/dbraw/zinc/30/08/36/1062300836.db2.gz OZOLLNOEEFIKJT-UHFFFAOYSA-N 1 2 461.010 2.504 20 0 JFADLO COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC001294740839 1062325605 /nfs/dbraw/zinc/32/56/05/1062325605.db2.gz LYCOXLATZDOGJW-OXJNMPFZSA-N 1 2 459.568 2.758 20 0 JFADLO COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC001294740839 1062325629 /nfs/dbraw/zinc/32/56/29/1062325629.db2.gz LYCOXLATZDOGJW-OXJNMPFZSA-N 1 2 459.568 2.758 20 0 JFADLO COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC001294740841 1062326083 /nfs/dbraw/zinc/32/60/83/1062326083.db2.gz LYCOXLATZDOGJW-UZLBHIALSA-N 1 2 459.568 2.758 20 0 JFADLO COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC001294740841 1062326109 /nfs/dbraw/zinc/32/61/09/1062326109.db2.gz LYCOXLATZDOGJW-UZLBHIALSA-N 1 2 459.568 2.758 20 0 JFADLO CC(C)C(=O)N1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001287114660 1062338177 /nfs/dbraw/zinc/33/81/77/1062338177.db2.gz NJTCWSIXEQXTCQ-UHFFFAOYSA-N 1 2 453.616 2.744 20 0 JFADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)cc2)C1=O ZINC001290554282 1062356769 /nfs/dbraw/zinc/35/67/69/1062356769.db2.gz YDJPKVFVOHATNU-GMLBEDANSA-N 1 2 462.478 2.978 20 0 JFADLO CC(C)C(=O)NCCN(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001287133147 1062439814 /nfs/dbraw/zinc/43/98/14/1062439814.db2.gz QFNMWQYIKHJSBN-NRFANRHFSA-N 1 2 451.575 2.962 20 0 JFADLO CC(C)C(C)(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001287138044 1062481722 /nfs/dbraw/zinc/48/17/22/1062481722.db2.gz FSOWZTKTUXNMTE-UHFFFAOYSA-N 1 2 477.679 2.689 20 0 JFADLO CCCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2ccc[nH+]c2N2CCOCC2)CC1 ZINC001294816786 1062495386 /nfs/dbraw/zinc/49/53/86/1062495386.db2.gz SBRCBXZVKLZIHV-LJQANCHMSA-N 1 2 469.634 2.814 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CC[N@H+]2CCOC[C@@H]2C)n1 ZINC001290650159 1062548999 /nfs/dbraw/zinc/54/89/99/1062548999.db2.gz XWCBHVVLBZVAPV-GBXCKJPGSA-N 1 2 459.639 2.502 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)n1 ZINC001290650159 1062549013 /nfs/dbraw/zinc/54/90/13/1062549013.db2.gz XWCBHVVLBZVAPV-GBXCKJPGSA-N 1 2 459.639 2.502 20 0 JFADLO CC(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001287158550 1062551524 /nfs/dbraw/zinc/55/15/24/1062551524.db2.gz TVRAFSMXOCWWMJ-RTWAWAEBSA-N 1 2 476.666 2.655 20 0 JFADLO Cc1nnc(CCCn2c(Cc3c(F)cccc3F)nnc2N(C)CC[NH+]2CCOCC2)s1 ZINC001290680178 1062592359 /nfs/dbraw/zinc/59/23/59/1062592359.db2.gz SHEOMXWRFSDUTD-UHFFFAOYSA-N 1 2 477.585 2.708 20 0 JFADLO CC(C)c1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1C[C@H]1CCCCS1(=O)=O ZINC001287185308 1062611036 /nfs/dbraw/zinc/61/10/36/1062611036.db2.gz HLQKTYKKPCVQSR-CEWLAPEOSA-N 1 2 477.679 2.622 20 0 JFADLO CC(C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@H]1CCCCS1(=O)=O ZINC001287185308 1062611045 /nfs/dbraw/zinc/61/10/45/1062611045.db2.gz HLQKTYKKPCVQSR-CEWLAPEOSA-N 1 2 477.679 2.622 20 0 JFADLO CC(C)c1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1C[C@@H]1CCCCS1(=O)=O ZINC001287185309 1062611250 /nfs/dbraw/zinc/61/12/50/1062611250.db2.gz HLQKTYKKPCVQSR-SESVDKBCSA-N 1 2 477.679 2.622 20 0 JFADLO CC(C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C[C@@H]1CCCCS1(=O)=O ZINC001287185309 1062611261 /nfs/dbraw/zinc/61/12/61/1062611261.db2.gz HLQKTYKKPCVQSR-SESVDKBCSA-N 1 2 477.679 2.622 20 0 JFADLO Cc1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1CC(=O)N(C)C1CCCCC1 ZINC001290712372 1062644117 /nfs/dbraw/zinc/64/41/17/1062644117.db2.gz GJQDQHGQVLNDDD-HXUWFJFHSA-N 1 2 460.648 2.949 20 0 JFADLO Cc1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1CCNC(=O)Cc1cccc(F)c1 ZINC001290713566 1062645177 /nfs/dbraw/zinc/64/51/77/1062645177.db2.gz PFHZSKSRQCODBH-NRFANRHFSA-N 1 2 486.617 2.656 20 0 JFADLO CC(C)c1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001287213847 1062672718 /nfs/dbraw/zinc/67/27/18/1062672718.db2.gz FJFUAIKIDPETOK-GOSISDBHSA-N 1 2 461.010 2.738 20 0 JFADLO CC(C)c1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001287213847 1062672741 /nfs/dbraw/zinc/67/27/41/1062672741.db2.gz FJFUAIKIDPETOK-GOSISDBHSA-N 1 2 461.010 2.738 20 0 JFADLO CC(C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1cccc(N(C)C)c1 ZINC001287215480 1062685031 /nfs/dbraw/zinc/68/50/31/1062685031.db2.gz FMLWGTXVPSHSBY-FQEVSTJZSA-N 1 2 453.635 2.649 20 0 JFADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc(NC(=O)[C@@H](C)n2cccn2)c1 ZINC001290811815 1062711958 /nfs/dbraw/zinc/71/19/58/1062711958.db2.gz RIAQZITZLJPITA-UZLBHIALSA-N 1 2 451.531 2.518 20 0 JFADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(NC(=O)[C@@H](C)n2cccn2)c1 ZINC001290811815 1062711980 /nfs/dbraw/zinc/71/19/80/1062711980.db2.gz RIAQZITZLJPITA-UZLBHIALSA-N 1 2 451.531 2.518 20 0 JFADLO CC[C@H](CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)[N@@H+]1CCc2ccccc2C1 ZINC001290814012 1062712646 /nfs/dbraw/zinc/71/26/46/1062712646.db2.gz HNCURHODXDUYEQ-HXUWFJFHSA-N 1 2 457.596 2.743 20 0 JFADLO CC[C@H](CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)[N@H+]1CCc2ccccc2C1 ZINC001290814012 1062712662 /nfs/dbraw/zinc/71/26/62/1062712662.db2.gz HNCURHODXDUYEQ-HXUWFJFHSA-N 1 2 457.596 2.743 20 0 JFADLO Cc1nnc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001290824264 1062718773 /nfs/dbraw/zinc/71/87/73/1062718773.db2.gz UPGFTMQAUXUWSY-ICSRJNTNSA-N 1 2 485.633 2.996 20 0 JFADLO CC(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001287299090 1062772411 /nfs/dbraw/zinc/77/24/11/1062772411.db2.gz MQGQCPHYXLBWTC-XLIONFOSSA-N 1 2 495.466 2.876 20 0 JFADLO CCCO[C@@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001294999663 1062786166 /nfs/dbraw/zinc/78/61/66/1062786166.db2.gz YXKAPGPMVZEYQO-TZBSWOFLSA-N 1 2 479.666 2.825 20 0 JFADLO CCCO[C@@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001294999663 1062786180 /nfs/dbraw/zinc/78/61/80/1062786180.db2.gz YXKAPGPMVZEYQO-TZBSWOFLSA-N 1 2 479.666 2.825 20 0 JFADLO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1nc(-c2c(F)cccc2F)cs1 ZINC001295030334 1062832497 /nfs/dbraw/zinc/83/24/97/1062832497.db2.gz XHWFPQKLMITQCS-KRWDZBQOSA-N 1 2 450.511 2.740 20 0 JFADLO CC(C)Cc1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001287374955 1062833279 /nfs/dbraw/zinc/83/32/79/1062833279.db2.gz QHURUIZOGMILDW-HXUWFJFHSA-N 1 2 464.655 2.892 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc([C@@H]4CCCOC4)n3CCCOC(F)(F)F)CC2)on1 ZINC001290969391 1062842642 /nfs/dbraw/zinc/84/26/42/1062842642.db2.gz CWCABOBGRRHZEU-MRXNPFEDSA-N 1 2 458.485 2.717 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc(COc4ccccc4F)n3CCC(=O)NC(C)C)CC2)on1 ZINC001290969502 1062842861 /nfs/dbraw/zinc/84/28/61/1062842861.db2.gz FIAXSVPPKIZDTE-UHFFFAOYSA-N 1 2 485.564 2.530 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc(C(C)C)n3CCn3cc(Br)cn3)CC2)on1 ZINC001290969868 1062843479 /nfs/dbraw/zinc/84/34/79/1062843479.db2.gz LYUVNPJHJOLOGM-UHFFFAOYSA-N 1 2 463.384 2.679 20 0 JFADLO C[C@H](C(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001295049760 1062853874 /nfs/dbraw/zinc/85/38/74/1062853874.db2.gz LJCKOYGCOFXQJB-GOSISDBHSA-N 1 2 458.965 2.861 20 0 JFADLO CCN(C)C(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001295055009 1062858487 /nfs/dbraw/zinc/85/84/87/1062858487.db2.gz FATYLDJLZOQAPW-GOSISDBHSA-N 1 2 485.564 2.654 20 0 JFADLO CC(C)Cc1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001287422235 1062862431 /nfs/dbraw/zinc/86/24/31/1062862431.db2.gz VRKVGJWJUXVFLV-LJQANCHMSA-N 1 2 472.609 2.735 20 0 JFADLO CC(C)Cc1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001287422235 1062862453 /nfs/dbraw/zinc/86/24/53/1062862453.db2.gz VRKVGJWJUXVFLV-LJQANCHMSA-N 1 2 472.609 2.735 20 0 JFADLO CC(C)Cc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001287448914 1062885566 /nfs/dbraw/zinc/88/55/66/1062885566.db2.gz HFEKUHCFQCMKOR-VQTJNVASSA-N 1 2 451.612 2.932 20 0 JFADLO CC(C)Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1cccc(C(C)(C)O)c1 ZINC001287466053 1062914263 /nfs/dbraw/zinc/91/42/63/1062914263.db2.gz URQALNQITAFYOQ-NRFANRHFSA-N 1 2 482.673 2.885 20 0 JFADLO CC(C)Cc1nnc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1CCCCOC(C)C ZINC001287469989 1062917822 /nfs/dbraw/zinc/91/78/22/1062917822.db2.gz XWWFNMZPWHUYSP-UHFFFAOYSA-N 1 2 455.611 2.685 20 0 JFADLO CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001295091091 1062926427 /nfs/dbraw/zinc/92/64/27/1062926427.db2.gz YIRJMLTUVVOWNG-QFIPXVFZSA-N 1 2 479.050 2.526 20 0 JFADLO CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001287532569 1062967459 /nfs/dbraw/zinc/96/74/59/1062967459.db2.gz CRKUSKGFGPIGTD-JOCHJYFZSA-N 1 2 451.015 2.949 20 0 JFADLO CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001287532570 1062967948 /nfs/dbraw/zinc/96/79/48/1062967948.db2.gz CRKUSKGFGPIGTD-QFIPXVFZSA-N 1 2 451.015 2.949 20 0 JFADLO CC(C)NC(=O)c1nnc(N2C[C@@H](C)CC[C@@H]2C)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001291042714 1062971319 /nfs/dbraw/zinc/97/13/19/1062971319.db2.gz SOBTYQHFNIMWLV-PMACEKPBSA-N 1 2 454.619 2.922 20 0 JFADLO CC(C)NC(=O)c1nnc(N2C[C@@H](C)CC[C@H]2C)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001291042716 1062971660 /nfs/dbraw/zinc/97/16/60/1062971660.db2.gz SOBTYQHFNIMWLV-VQTJNVASSA-N 1 2 454.619 2.922 20 0 JFADLO CC(C)CCCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001287567546 1062988735 /nfs/dbraw/zinc/98/87/35/1062988735.db2.gz RDGBFLVQOGGQCY-PKTZIBPZSA-N 1 2 462.683 2.840 20 0 JFADLO CCN(c1nnc(-c2ccccc2F)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295180996 1063004928 /nfs/dbraw/zinc/00/49/28/1063004928.db2.gz UXGODDUKSSCYRE-OTWHNJEPSA-N 1 2 479.622 2.597 20 0 JFADLO CCN(c1nnc(-c2ccccc2F)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295180996 1063004951 /nfs/dbraw/zinc/00/49/51/1063004951.db2.gz UXGODDUKSSCYRE-OTWHNJEPSA-N 1 2 479.622 2.597 20 0 JFADLO C[C@@H]1CCC[C@@]1(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001291077555 1063029777 /nfs/dbraw/zinc/02/97/77/1063029777.db2.gz CSAFCDRBMFOPHZ-UZUQRXQVSA-N 1 2 465.545 2.866 20 0 JFADLO C[C@H]1CCC[C@]1(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001291077554 1063029890 /nfs/dbraw/zinc/02/98/90/1063029890.db2.gz CSAFCDRBMFOPHZ-SBUREZEXSA-N 1 2 465.545 2.866 20 0 JFADLO CC(C)CN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1)C(C)C ZINC001287706083 1063043574 /nfs/dbraw/zinc/04/35/74/1063043574.db2.gz GGIXNXJCCKDSFS-TZIWHRDSSA-N 1 2 490.674 2.719 20 0 JFADLO C[C@@H]1CCCCN1C(=O)CN1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001291095123 1063054317 /nfs/dbraw/zinc/05/43/17/1063054317.db2.gz GGMLBDBXTDKZCW-OAQYLSRUSA-N 1 2 496.704 2.899 20 0 JFADLO CC(C)C[NH+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCS(C)(=O)=O)CC1 ZINC001287778095 1063100903 /nfs/dbraw/zinc/10/09/03/1063100903.db2.gz RVCRQTVLUOHKRP-UHFFFAOYSA-N 1 2 477.675 2.977 20 0 JFADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C)C2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001291110781 1063109466 /nfs/dbraw/zinc/10/94/66/1063109466.db2.gz JXYBOZUUFPGEQF-VKJFTORMSA-N 1 2 470.590 2.706 20 0 JFADLO CCN(CC(C)C)c1nnc([C@H]2CCC(=O)N2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001295283708 1063126773 /nfs/dbraw/zinc/12/67/73/1063126773.db2.gz NERQCKOFXOFAJB-JOCHJYFZSA-N 1 2 453.635 2.529 20 0 JFADLO CCN(CC(C)C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001295291324 1063135061 /nfs/dbraw/zinc/13/50/61/1063135061.db2.gz AQVZTDJTTUKKSL-OYRHEFFESA-N 1 2 491.681 2.695 20 0 JFADLO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001291139596 1063204204 /nfs/dbraw/zinc/20/42/04/1063204204.db2.gz HBFNODHITPUMNC-TZIWHRDSSA-N 1 2 485.633 2.754 20 0 JFADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001291145726 1063229768 /nfs/dbraw/zinc/22/97/68/1063229768.db2.gz OYIZJFXVQZDNBC-HXUWFJFHSA-N 1 2 497.669 2.813 20 0 JFADLO C[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001291164280 1063248333 /nfs/dbraw/zinc/24/83/33/1063248333.db2.gz SLJVWCIOVLOINX-AABGKKOBSA-N 1 2 462.639 2.960 20 0 JFADLO C[C@@H]1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001291164280 1063248357 /nfs/dbraw/zinc/24/83/57/1063248357.db2.gz SLJVWCIOVLOINX-AABGKKOBSA-N 1 2 462.639 2.960 20 0 JFADLO C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001291164282 1063248404 /nfs/dbraw/zinc/24/84/04/1063248404.db2.gz SLJVWCIOVLOINX-HSALFYBXSA-N 1 2 462.639 2.960 20 0 JFADLO C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001291164282 1063248422 /nfs/dbraw/zinc/24/84/22/1063248422.db2.gz SLJVWCIOVLOINX-HSALFYBXSA-N 1 2 462.639 2.960 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(OC)c(F)c2)CC1 ZINC001295335525 1063252720 /nfs/dbraw/zinc/25/27/20/1063252720.db2.gz APFCSSMZLHBTDC-UHFFFAOYSA-N 1 2 497.619 2.664 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)c2ncc(C)s2)CC1 ZINC001295335627 1063254138 /nfs/dbraw/zinc/25/41/38/1063254138.db2.gz DERWMCPCCKGHSH-KRWDZBQOSA-N 1 2 470.647 2.832 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC2(OC)CCC2)CC1 ZINC001295335805 1063254355 /nfs/dbraw/zinc/25/43/55/1063254355.db2.gz HJAFUINBZUUQGY-UHFFFAOYSA-N 1 2 490.052 2.943 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OC(F)F)cc2)CC1 ZINC001295336496 1063258781 /nfs/dbraw/zinc/25/87/81/1063258781.db2.gz RWYSEQTYMHAWDO-UHFFFAOYSA-N 1 2 499.566 2.980 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CSCCS2)CC1 ZINC001295336632 1063258951 /nfs/dbraw/zinc/25/89/51/1063258951.db2.gz TZJKVUNPSGUPBW-SFHVURJKSA-N 1 2 478.688 2.686 20 0 JFADLO CCN(CC)C(=O)N1CCN(c2nnc(C)n2C[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)CC1 ZINC001295343852 1063275224 /nfs/dbraw/zinc/27/52/24/1063275224.db2.gz PKXLOACPAQJGKJ-QHCPKHFHSA-N 1 2 469.634 2.552 20 0 JFADLO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCCS(C)(=O)=O)C[C@H](C)O1 ZINC001291186156 1063289650 /nfs/dbraw/zinc/28/96/50/1063289650.db2.gz AQKWVZMABSZQTP-CALCHBBNSA-N 1 2 499.081 2.752 20 0 JFADLO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCCS(C)(=O)=O)C[C@H](C)O1 ZINC001291186156 1063289668 /nfs/dbraw/zinc/28/96/68/1063289668.db2.gz AQKWVZMABSZQTP-CALCHBBNSA-N 1 2 499.081 2.752 20 0 JFADLO C[C@@H]1C[N@H+](C(C)(C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCS(=O)CC2)C[C@H](C)O1 ZINC001291188439 1063303097 /nfs/dbraw/zinc/30/30/97/1063303097.db2.gz KDQFHMWDGILWCS-HDICACEKSA-N 1 2 496.077 2.967 20 0 JFADLO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCS(=O)CC2)C[C@H](C)O1 ZINC001291188439 1063303113 /nfs/dbraw/zinc/30/31/13/1063303113.db2.gz KDQFHMWDGILWCS-HDICACEKSA-N 1 2 496.077 2.967 20 0 JFADLO C[C@H]1CN(c2ccc(Cn3c(CC(C)(C)C)nnc3N(C)CC(=O)NC(C)(C)C)c[nH+]2)CCO1 ZINC001291194797 1063329005 /nfs/dbraw/zinc/32/90/05/1063329005.db2.gz DVFVMUGTIFGCET-SFHVURJKSA-N 1 2 471.650 2.886 20 0 JFADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001291195405 1063333570 /nfs/dbraw/zinc/33/35/70/1063333570.db2.gz QMNHLGYKZJBWIA-RTBURBONSA-N 1 2 490.674 2.549 20 0 JFADLO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291202496 1063359332 /nfs/dbraw/zinc/35/93/32/1063359332.db2.gz MZHTWIUANCCQGB-SQNIBIBYSA-N 1 2 450.628 2.646 20 0 JFADLO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CC[N@H+]2CCOC[C@@H]2C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291202496 1063359356 /nfs/dbraw/zinc/35/93/56/1063359356.db2.gz MZHTWIUANCCQGB-SQNIBIBYSA-N 1 2 450.628 2.646 20 0 JFADLO CC[NH+](CC)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC(S(C)(=O)=O)CC1)c1ccco1 ZINC001295403831 1063388933 /nfs/dbraw/zinc/38/89/33/1063388933.db2.gz AUUSEWBKARDSCP-NRFANRHFSA-N 1 2 486.642 2.953 20 0 JFADLO CCN(CC)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H]([C@@H]3CCOC3)C2)c[nH+]1 ZINC001295411166 1063406705 /nfs/dbraw/zinc/40/67/05/1063406705.db2.gz RCEDCJUDGOPJLE-VQTJNVASSA-N 1 2 455.607 2.569 20 0 JFADLO CCN(CC)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@H](C)O[C@@H](C3CC3)C2)c[nH+]1 ZINC001295411809 1063408947 /nfs/dbraw/zinc/40/89/47/1063408947.db2.gz WUAJLTWECVINSL-FXAWDEMLSA-N 1 2 455.607 2.710 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@](C)(C(N)=O)C2)c[nH+]1 ZINC001295412658 1063411251 /nfs/dbraw/zinc/41/12/51/1063411251.db2.gz DUCDSBAGACYECK-SANMLTNESA-N 1 2 493.612 2.954 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3ccccc3OC)nnc2N2CCN(C(=O)COC)CC2)c[nH+]1 ZINC001295414268 1063416641 /nfs/dbraw/zinc/41/66/41/1063416641.db2.gz YHRZPNCODYBZPC-UHFFFAOYSA-N 1 2 493.612 2.538 20 0 JFADLO CCN(CC)c1ccc(Cn2c(Cc3ccsc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)c[nH+]1 ZINC001295418039 1063423868 /nfs/dbraw/zinc/42/38/68/1063423868.db2.gz DAMXAEJUVCBGCV-KRWDZBQOSA-N 1 2 453.616 2.887 20 0 JFADLO CCN(CC)c1ccc(Cn2c(Cc3ccccn3)nnc2N2CC[C@@](C)(C(=O)NC)C2)c[nH+]1 ZINC001295418701 1063426079 /nfs/dbraw/zinc/42/60/79/1063426079.db2.gz FIWQFENPWYYXCG-RUZDIDTESA-N 1 2 462.602 2.516 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](C(C)C)C2)c[nH+]1 ZINC001295418773 1063426114 /nfs/dbraw/zinc/42/61/14/1063426114.db2.gz FZQRTUSDFCVHTD-PMACEKPBSA-N 1 2 460.648 2.952 20 0 JFADLO CCN(CC)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(CC(=O)N3CCCC3)CC2)c[nH+]1 ZINC001295420496 1063433799 /nfs/dbraw/zinc/43/37/99/1063433799.db2.gz QTCCSEVPAXBCMI-UHFFFAOYSA-N 1 2 496.704 2.901 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cnc(C)s2)c[nH+]1 ZINC001295420914 1063435879 /nfs/dbraw/zinc/43/58/79/1063435879.db2.gz ZWLMWLIGGKHSQY-SFHVURJKSA-N 1 2 489.671 2.871 20 0 JFADLO CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001295431098 1063441571 /nfs/dbraw/zinc/44/15/71/1063441571.db2.gz XOWSMSANVCUVHO-GOSISDBHSA-N 1 2 484.630 2.696 20 0 JFADLO CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001295431098 1063441580 /nfs/dbraw/zinc/44/15/80/1063441580.db2.gz XOWSMSANVCUVHO-GOSISDBHSA-N 1 2 484.630 2.696 20 0 JFADLO C[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001291246419 1063519058 /nfs/dbraw/zinc/51/90/58/1063519058.db2.gz PONBXPKQOVCQCX-WCIQWLHISA-N 1 2 478.638 2.590 20 0 JFADLO C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)CC(C)(C)C1)[NH+]1CCOCC1 ZINC001291277793 1063592902 /nfs/dbraw/zinc/59/29/02/1063592902.db2.gz KDIQIRXXHZQXMR-MSOLQXFVSA-N 1 2 460.648 2.863 20 0 JFADLO CN(C)c1cc[nH+]c(NC(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)c1 ZINC001295560449 1063593925 /nfs/dbraw/zinc/59/39/25/1063593925.db2.gz RQHOWGYXBMCIGP-UHFFFAOYSA-N 1 2 454.508 2.607 20 0 JFADLO CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cn2ccccc2[nH+]1 ZINC001295625130 1063670588 /nfs/dbraw/zinc/67/05/88/1063670588.db2.gz IVFGMXUQRFCEOP-QGZVFWFLSA-N 1 2 485.589 2.944 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001291307982 1063726671 /nfs/dbraw/zinc/72/66/71/1063726671.db2.gz DVRAIAOPOHZMOD-WBVHZDCISA-N 1 2 471.528 2.629 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001291307982 1063726684 /nfs/dbraw/zinc/72/66/84/1063726684.db2.gz DVRAIAOPOHZMOD-WBVHZDCISA-N 1 2 471.528 2.629 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCC1 ZINC001291308358 1063728569 /nfs/dbraw/zinc/72/85/69/1063728569.db2.gz MEWNICIBLRECAU-ICSRJNTNSA-N 1 2 478.638 2.544 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCC1 ZINC001291308358 1063728584 /nfs/dbraw/zinc/72/85/84/1063728584.db2.gz MEWNICIBLRECAU-ICSRJNTNSA-N 1 2 478.638 2.544 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCC1 ZINC001291308360 1063728933 /nfs/dbraw/zinc/72/89/33/1063728933.db2.gz MEWNICIBLRECAU-UYAOXDASSA-N 1 2 478.638 2.544 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCC1 ZINC001291308360 1063728945 /nfs/dbraw/zinc/72/89/45/1063728945.db2.gz MEWNICIBLRECAU-UYAOXDASSA-N 1 2 478.638 2.544 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N1CCn2cc(C(F)(F)F)nc2C1 ZINC001291308666 1063731252 /nfs/dbraw/zinc/73/12/52/1063731252.db2.gz QPBZPFHHZCXDFW-OAHLLOKOSA-N 1 2 455.529 2.823 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CCn2cc(C(F)(F)F)nc2C1 ZINC001291308666 1063731269 /nfs/dbraw/zinc/73/12/69/1063731269.db2.gz QPBZPFHHZCXDFW-OAHLLOKOSA-N 1 2 455.529 2.823 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CCC(F)(F)F ZINC001291308939 1063731874 /nfs/dbraw/zinc/73/18/74/1063731874.db2.gz VSCVBMBTTUSQEB-AWEZNQCLSA-N 1 2 465.480 2.703 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CCC(F)(F)F ZINC001291308939 1063731889 /nfs/dbraw/zinc/73/18/89/1063731889.db2.gz VSCVBMBTTUSQEB-AWEZNQCLSA-N 1 2 465.480 2.703 20 0 JFADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(Cc2ccccn2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001291308959 1063732052 /nfs/dbraw/zinc/73/20/52/1063732052.db2.gz WDZWNZZQJDFMRR-PMACEKPBSA-N 1 2 498.653 2.586 20 0 JFADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(Cc2ccccn2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001291308959 1063732061 /nfs/dbraw/zinc/73/20/61/1063732061.db2.gz WDZWNZZQJDFMRR-PMACEKPBSA-N 1 2 498.653 2.586 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001291308986 1063732448 /nfs/dbraw/zinc/73/24/48/1063732448.db2.gz WPXHBGRJYYNQRY-MRXNPFEDSA-N 1 2 464.552 2.610 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001291308986 1063732465 /nfs/dbraw/zinc/73/24/65/1063732465.db2.gz WPXHBGRJYYNQRY-MRXNPFEDSA-N 1 2 464.552 2.610 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001291309210 1063733514 /nfs/dbraw/zinc/73/35/14/1063733514.db2.gz BAUNDFRCIJBPJM-SFHVURJKSA-N 1 2 491.036 2.713 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001291309210 1063733522 /nfs/dbraw/zinc/73/35/22/1063733522.db2.gz BAUNDFRCIJBPJM-SFHVURJKSA-N 1 2 491.036 2.713 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(CCc2ccccc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001291309627 1063735174 /nfs/dbraw/zinc/73/51/74/1063735174.db2.gz KRWMBKMGHLPUQG-HKUYNNGSSA-N 1 2 453.509 2.552 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(CCc2ccccc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001291309627 1063735189 /nfs/dbraw/zinc/73/51/89/1063735189.db2.gz KRWMBKMGHLPUQG-HKUYNNGSSA-N 1 2 453.509 2.552 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCO1 ZINC001291310123 1063738922 /nfs/dbraw/zinc/73/89/22/1063738922.db2.gz UHJHLJJYFFHVMQ-AQNXPRMDSA-N 1 2 478.638 2.686 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCO1 ZINC001291310123 1063738930 /nfs/dbraw/zinc/73/89/30/1063738930.db2.gz UHJHLJJYFFHVMQ-AQNXPRMDSA-N 1 2 478.638 2.686 20 0 JFADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)C[C@H]1C ZINC001295741227 1063748930 /nfs/dbraw/zinc/74/89/30/1063748930.db2.gz YEADVSNRAVCOSJ-GOSISDBHSA-N 1 2 459.568 2.505 20 0 JFADLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)C[C@H]1C ZINC001295741227 1063748947 /nfs/dbraw/zinc/74/89/47/1063748947.db2.gz YEADVSNRAVCOSJ-GOSISDBHSA-N 1 2 459.568 2.505 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc([C@@H]2CCOC2)n1CC[S@](=O)CC ZINC001295747401 1063752502 /nfs/dbraw/zinc/75/25/02/1063752502.db2.gz ARGQDSHQLXJJEV-QTYPKTMWSA-N 1 2 460.648 2.689 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1C[C@H]1C ZINC001295749554 1063756337 /nfs/dbraw/zinc/75/63/37/1063756337.db2.gz RUJMAEHNCGTOOI-WSTZPKSXSA-N 1 2 475.663 2.682 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1C[C@@H]1C ZINC001295749552 1063756507 /nfs/dbraw/zinc/75/65/07/1063756507.db2.gz RUJMAEHNCGTOOI-CMKODMSKSA-N 1 2 475.663 2.682 20 0 JFADLO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001291340863 1063818850 /nfs/dbraw/zinc/81/88/50/1063818850.db2.gz SDGVAXUGLPRIJW-JXFKEZNVSA-N 1 2 484.555 2.811 20 0 JFADLO CCC(=O)N[C@H]1CCCN(c2nnc(COc3ccccc3CC)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001291348058 1063852059 /nfs/dbraw/zinc/85/20/59/1063852059.db2.gz ZJHYFVCZXJHWEJ-IRLDBZIGSA-N 1 2 484.645 2.635 20 0 JFADLO CC[N@H+](CCn1c(-c2cccc(C)n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)CCC(F)(F)F ZINC001295841483 1063860510 /nfs/dbraw/zinc/86/05/10/1063860510.db2.gz HGNKSMPSVNFWPQ-INIZCTEOSA-N 1 2 474.553 2.546 20 0 JFADLO CC[N@@H+](CCn1c(-c2cccc(C)n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)CCC(F)(F)F ZINC001295841483 1063860515 /nfs/dbraw/zinc/86/05/15/1063860515.db2.gz HGNKSMPSVNFWPQ-INIZCTEOSA-N 1 2 474.553 2.546 20 0 JFADLO CC[C@@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001291358399 1063865334 /nfs/dbraw/zinc/86/53/34/1063865334.db2.gz KXWWIZVDHYIRKM-RUZDIDTESA-N 1 2 478.601 2.733 20 0 JFADLO CCN(c1nnc([C@@H]2CCCCO2)n1CC[N@H+](CC)CCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC001295848016 1063870951 /nfs/dbraw/zinc/87/09/51/1063870951.db2.gz GDSXFJRZCGMFFW-IRXDYDNUSA-N 1 2 481.585 2.807 20 0 JFADLO CCN(c1nnc([C@@H]2CCCCO2)n1CC[N@@H+](CC)CCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC001295848016 1063870960 /nfs/dbraw/zinc/87/09/60/1063870960.db2.gz GDSXFJRZCGMFFW-IRXDYDNUSA-N 1 2 481.585 2.807 20 0 JFADLO CC[N@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1[C@@H]1CCCO1)CCC(F)(F)F ZINC001295853757 1063881445 /nfs/dbraw/zinc/88/14/45/1063881445.db2.gz RHIFJZZXUADWHC-SQNIBIBYSA-N 1 2 493.596 2.602 20 0 JFADLO CC[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1[C@@H]1CCCO1)CCC(F)(F)F ZINC001295853757 1063881454 /nfs/dbraw/zinc/88/14/54/1063881454.db2.gz RHIFJZZXUADWHC-SQNIBIBYSA-N 1 2 493.596 2.602 20 0 JFADLO CC[N@H+](CCn1c(Cc2cccnc2)nnc1N1CCC(S(C)(=O)=O)CC1)CCC(F)(F)F ZINC001295859371 1063890103 /nfs/dbraw/zinc/89/01/03/1063890103.db2.gz ONOZBPUKNWBLEN-UHFFFAOYSA-N 1 2 488.580 2.552 20 0 JFADLO CC[N@@H+](CCn1c(Cc2cccnc2)nnc1N1CCC(S(C)(=O)=O)CC1)CCC(F)(F)F ZINC001295859371 1063890113 /nfs/dbraw/zinc/89/01/13/1063890113.db2.gz ONOZBPUKNWBLEN-UHFFFAOYSA-N 1 2 488.580 2.552 20 0 JFADLO CC[C@](C)(O)Cn1c(CCCc2ccccc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001291376997 1063908034 /nfs/dbraw/zinc/90/80/34/1063908034.db2.gz FXAUGJMLXCNOBN-CUNXSJBXSA-N 1 2 482.673 2.747 20 0 JFADLO CCN(CCS(C)(=O)=O)c1nnc(-c2ccccc2F)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001295876760 1063916146 /nfs/dbraw/zinc/91/61/46/1063916146.db2.gz CMKVPHAKSURVRX-ROUUACIJSA-N 1 2 481.638 2.843 20 0 JFADLO CCN(CCS(C)(=O)=O)c1nnc(-c2ccccc2F)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001295876756 1063916176 /nfs/dbraw/zinc/91/61/76/1063916176.db2.gz CMKVPHAKSURVRX-HDICACEKSA-N 1 2 481.638 2.843 20 0 JFADLO CCN(CCS(C)(=O)=O)c1nnc(-c2ccccc2F)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001295876756 1063916190 /nfs/dbraw/zinc/91/61/90/1063916190.db2.gz CMKVPHAKSURVRX-HDICACEKSA-N 1 2 481.638 2.843 20 0 JFADLO CC[C@@](C)(O)Cn1c(N2CCc3c(cc[nH+]c3N(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001291380300 1063916558 /nfs/dbraw/zinc/91/65/58/1063916558.db2.gz OIQVZKYYKGQBOE-DNQXCXABSA-N 1 2 458.607 2.503 20 0 JFADLO CC[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001291382327 1063923009 /nfs/dbraw/zinc/92/30/09/1063923009.db2.gz VKQMVLAZCSANEZ-OWHZGTRUSA-N 1 2 487.649 2.712 20 0 JFADLO CCN(CCS(C)(=O)=O)c1nnc(-c2c[nH]c3ccccc32)n1Cc1c[nH+]ccc1OC ZINC001295880041 1063923617 /nfs/dbraw/zinc/92/36/17/1063923617.db2.gz AMOQXZBJJLVAMQ-UHFFFAOYSA-N 1 2 454.556 2.749 20 0 JFADLO CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccnc2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC001291391823 1063942834 /nfs/dbraw/zinc/94/28/34/1063942834.db2.gz OWUQEIAPKDCMKZ-UZINWLIJSA-N 1 2 483.661 2.660 20 0 JFADLO CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001291394847 1063949706 /nfs/dbraw/zinc/94/97/06/1063949706.db2.gz CNUORASYYDNVHW-FXJWSJNKSA-N 1 2 484.649 2.575 20 0 JFADLO CC[C@H](C)[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001291394848 1063949726 /nfs/dbraw/zinc/94/97/26/1063949726.db2.gz CNUORASYYDNVHW-KMEZTADASA-N 1 2 484.649 2.575 20 0 JFADLO CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001291394850 1063949759 /nfs/dbraw/zinc/94/97/59/1063949759.db2.gz CNUORASYYDNVHW-SXMMONRFSA-N 1 2 484.649 2.575 20 0 JFADLO CC[C@@H](C)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1)OC ZINC001291410111 1063985328 /nfs/dbraw/zinc/98/53/28/1063985328.db2.gz SVTTXVGZMOIKRL-NFBKMPQASA-N 1 2 484.645 2.759 20 0 JFADLO CC[C@H](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2[nH+]cnc3c2cnn3C)CC1)OC ZINC001291420576 1064001785 /nfs/dbraw/zinc/00/17/85/1064001785.db2.gz ZAXSZTHVZZMEOM-PKOBYXMFSA-N 1 2 469.638 2.931 20 0 JFADLO CC[C@@H](C)c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001291434745 1064015477 /nfs/dbraw/zinc/01/54/77/1064015477.db2.gz SLJLSZDKZRMBCD-GOSISDBHSA-N 1 2 471.631 2.886 20 0 JFADLO CC[C@H](C)c1nnc(N(C)Cc2cnn(C)c2C)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001291438451 1064017945 /nfs/dbraw/zinc/01/79/45/1064017945.db2.gz DIAZMWGMLKSNRV-QFBILLFUSA-N 1 2 452.611 2.971 20 0 JFADLO CC[C@H](C)c1nnc(N(C)Cc2cnn(C)c2C)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001291438451 1064017956 /nfs/dbraw/zinc/01/79/56/1064017956.db2.gz DIAZMWGMLKSNRV-QFBILLFUSA-N 1 2 452.611 2.971 20 0 JFADLO CC[C@H](C)c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1ccc(-n2nc(C)cc2C)nc1 ZINC001291457682 1064023852 /nfs/dbraw/zinc/02/38/52/1064023852.db2.gz QVFHHBNYTARQBD-SFHVURJKSA-N 1 2 452.607 2.806 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCC(c3cnn(CC)c3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291495712 1064048275 /nfs/dbraw/zinc/04/82/75/1064048275.db2.gz YECNCQYNFDGYLN-LJQANCHMSA-N 1 2 456.639 2.556 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC(c3cnn(CC)c3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291495711 1064048290 /nfs/dbraw/zinc/04/82/90/1064048290.db2.gz YECNCQYNFDGYLN-IBGZPJMESA-N 1 2 456.639 2.556 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2ccc(C)cc2)C[C@@H]1C ZINC001295995333 1064051457 /nfs/dbraw/zinc/05/14/57/1064051457.db2.gz IHKJMSLGVPCXMB-XSDIEEQYSA-N 1 2 475.659 2.875 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2ccc(C)cc2)C[C@@H]1C ZINC001295995333 1064051464 /nfs/dbraw/zinc/05/14/64/1064051464.db2.gz IHKJMSLGVPCXMB-XSDIEEQYSA-N 1 2 475.659 2.875 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC(F)F)cc2)C[C@@H]1C ZINC001295996461 1064052740 /nfs/dbraw/zinc/05/27/40/1064052740.db2.gz LCOZGRAQWUVJKV-XYJFISCASA-N 1 2 483.585 2.749 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC(F)F)cc2)C[C@@H]1C ZINC001295996461 1064052746 /nfs/dbraw/zinc/05/27/46/1064052746.db2.gz LCOZGRAQWUVJKV-XYJFISCASA-N 1 2 483.585 2.749 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CCc1cn2ccccc2[nH+]1 ZINC001291507240 1064058026 /nfs/dbraw/zinc/05/80/26/1064058026.db2.gz OTDKKFMDDRDXNP-QGZVFWFLSA-N 1 2 459.620 2.542 20 0 JFADLO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CC2(S(C)(=O)=O)CC2)C[C@H]1C ZINC001296008310 1064061822 /nfs/dbraw/zinc/06/18/22/1064061822.db2.gz AXVDVVZJQBDPIH-WOJBJXKFSA-N 1 2 475.659 2.970 20 0 JFADLO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CC2(S(C)(=O)=O)CC2)C[C@H]1C ZINC001296008310 1064061832 /nfs/dbraw/zinc/06/18/32/1064061832.db2.gz AXVDVVZJQBDPIH-WOJBJXKFSA-N 1 2 475.659 2.970 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CC2(CS(C)(=O)=O)CC2)C[C@@H]1C ZINC001296012946 1064073649 /nfs/dbraw/zinc/07/36/49/1064073649.db2.gz ZXMRKMGRXCJOCQ-PMACEKPBSA-N 1 2 475.659 2.643 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CC2(CS(C)(=O)=O)CC2)C[C@@H]1C ZINC001296012946 1064073659 /nfs/dbraw/zinc/07/36/59/1064073659.db2.gz ZXMRKMGRXCJOCQ-PMACEKPBSA-N 1 2 475.659 2.643 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001296012949 1064073678 /nfs/dbraw/zinc/07/36/78/1064073678.db2.gz ZXMRKMGRXCJOCQ-UXHICEINSA-N 1 2 475.659 2.643 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001296012949 1064073689 /nfs/dbraw/zinc/07/36/89/1064073689.db2.gz ZXMRKMGRXCJOCQ-UXHICEINSA-N 1 2 475.659 2.643 20 0 JFADLO CC[C@H](C)c1nnc(N2CCCO[C@@H](c3ccccc3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291572288 1064098691 /nfs/dbraw/zinc/09/86/91/1064098691.db2.gz KCNZTGYCPRZMCZ-NZQKXSOJSA-N 1 2 454.619 2.924 20 0 JFADLO COCc1c(C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cnn1-c1ccccc1 ZINC001291576090 1064099415 /nfs/dbraw/zinc/09/94/15/1064099415.db2.gz FAPDGZQUHLPWGW-UHFFFAOYSA-N 1 2 457.575 2.691 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001291592049 1064126876 /nfs/dbraw/zinc/12/68/76/1064126876.db2.gz KBJIDRZOFVVLDM-FQEVSTJZSA-N 1 2 485.633 2.986 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001291616468 1064154236 /nfs/dbraw/zinc/15/42/36/1064154236.db2.gz ZOCSHVYKBSBPJO-QGZVFWFLSA-N 1 2 475.663 2.917 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001291628783 1064171694 /nfs/dbraw/zinc/17/16/94/1064171694.db2.gz OZASKOGMNYKALS-IRLDBZIGSA-N 1 2 497.688 2.890 20 0 JFADLO CCN1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[N@@H+]2CCOCC2(C)C)CC1=O ZINC001296100576 1064174256 /nfs/dbraw/zinc/17/42/56/1064174256.db2.gz JTBFPEVQNREOQU-LJQANCHMSA-N 1 2 488.608 2.727 20 0 JFADLO CCN1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[N@H+]2CCOCC2(C)C)CC1=O ZINC001296100576 1064174259 /nfs/dbraw/zinc/17/42/59/1064174259.db2.gz JTBFPEVQNREOQU-LJQANCHMSA-N 1 2 488.608 2.727 20 0 JFADLO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001291630881 1064177297 /nfs/dbraw/zinc/17/72/97/1064177297.db2.gz VPLIHFCCEGUJSB-APWZRJJASA-N 1 2 474.009 2.755 20 0 JFADLO CCN1CCCN(c2nnc(-c3cccn3C)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1=O ZINC001296105916 1064184559 /nfs/dbraw/zinc/18/45/59/1064184559.db2.gz OIKPFTZDBLLAGU-FQEVSTJZSA-N 1 2 471.556 2.923 20 0 JFADLO CC[C@H](C)c1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1Cc1ccc(C)n(C)c1=O ZINC001291637941 1064185133 /nfs/dbraw/zinc/18/51/33/1064185133.db2.gz KPVSTIUSQMHADK-INIZCTEOSA-N 1 2 455.632 2.934 20 0 JFADLO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CC1(C)CCOCC1 ZINC001291640262 1064188537 /nfs/dbraw/zinc/18/85/37/1064188537.db2.gz QSCDNXQVLADJOF-FGZHOGPDSA-N 1 2 462.683 2.840 20 0 JFADLO CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@@H]1CCO[C@@H](C)C1 ZINC001291640270 1064189562 /nfs/dbraw/zinc/18/95/62/1064189562.db2.gz QVFANMJFNDOIGH-MYDTUXCISA-N 1 2 462.683 2.838 20 0 JFADLO CC[C@H](C)c1nnc(N2CCNC(=O)[C@@H]2CC)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001291650824 1064203963 /nfs/dbraw/zinc/20/39/63/1064203963.db2.gz USEKAYMEIQCKKL-BVSLBCMMSA-N 1 2 454.619 2.888 20 0 JFADLO CC[C@H](C)c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001291673997 1064215336 /nfs/dbraw/zinc/21/53/36/1064215336.db2.gz YOOUULJAMGVHRO-ZTCOLXNVSA-N 1 2 484.645 2.515 20 0 JFADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2CCO[C@](C)(CC)C2)CC1 ZINC001296132245 1064229446 /nfs/dbraw/zinc/22/94/46/1064229446.db2.gz AAQWDLWRWQZXBR-QFQXNSOFSA-N 1 2 486.661 2.897 20 0 JFADLO CC[C@@H](C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@@H+]1CCOC[C@H]1C ZINC001291743718 1064232863 /nfs/dbraw/zinc/23/28/63/1064232863.db2.gz HZCNPSPBGSJWCJ-RTBURBONSA-N 1 2 467.618 2.785 20 0 JFADLO CC[C@@H](C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@H+]1CCOC[C@H]1C ZINC001291743718 1064232872 /nfs/dbraw/zinc/23/28/72/1064232872.db2.gz HZCNPSPBGSJWCJ-RTBURBONSA-N 1 2 467.618 2.785 20 0 JFADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(C)(F)F)cc2)C[C@@H]1C ZINC001296158849 1064272467 /nfs/dbraw/zinc/27/24/67/1064272467.db2.gz JJBVXPMPIOKOHU-FUHWJXTLSA-N 1 2 467.586 2.871 20 0 JFADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(C)(F)F)cc2)C[C@@H]1C ZINC001296158849 1064272480 /nfs/dbraw/zinc/27/24/80/1064272480.db2.gz JJBVXPMPIOKOHU-FUHWJXTLSA-N 1 2 467.586 2.871 20 0 JFADLO CC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2csc(C(C)C)n2)C[C@@H]1C ZINC001296160077 1064273752 /nfs/dbraw/zinc/27/37/52/1064273752.db2.gz NSTXRYHVFMVNAI-IRXDYDNUSA-N 1 2 466.677 2.533 20 0 JFADLO CC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2csc(C(C)C)n2)C[C@@H]1C ZINC001296160077 1064273761 /nfs/dbraw/zinc/27/37/61/1064273761.db2.gz NSTXRYHVFMVNAI-IRXDYDNUSA-N 1 2 466.677 2.533 20 0 JFADLO CC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccccc2C(F)(F)F)C[C@H]1C ZINC001296163498 1064278205 /nfs/dbraw/zinc/27/82/05/1064278205.db2.gz XIBHVMPJLAANGQ-AEFFLSMTSA-N 1 2 485.576 2.972 20 0 JFADLO CC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccccc2C(F)(F)F)C[C@H]1C ZINC001296163498 1064278211 /nfs/dbraw/zinc/27/82/11/1064278211.db2.gz XIBHVMPJLAANGQ-AEFFLSMTSA-N 1 2 485.576 2.972 20 0 JFADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccccc2C(F)(F)F)C[C@@H]1C ZINC001296163499 1064278222 /nfs/dbraw/zinc/27/82/22/1064278222.db2.gz XIBHVMPJLAANGQ-FUHWJXTLSA-N 1 2 485.576 2.972 20 0 JFADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccccc2C(F)(F)F)C[C@@H]1C ZINC001296163499 1064278228 /nfs/dbraw/zinc/27/82/28/1064278228.db2.gz XIBHVMPJLAANGQ-FUHWJXTLSA-N 1 2 485.576 2.972 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CCS(=O)(=O)c2ccccc2)C[C@@H]1C ZINC001296171351 1064294009 /nfs/dbraw/zinc/29/40/09/1064294009.db2.gz RRCGGHNZACFYQV-KRWDZBQOSA-N 1 2 474.656 2.638 20 0 JFADLO CC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CCS(=O)(=O)c2ccccc2)C[C@@H]1C ZINC001296171351 1064294027 /nfs/dbraw/zinc/29/40/27/1064294027.db2.gz RRCGGHNZACFYQV-KRWDZBQOSA-N 1 2 474.656 2.638 20 0 JFADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3Cc3cscc3C(F)(F)F)C2)CC1 ZINC001296173885 1064299472 /nfs/dbraw/zinc/29/94/72/1064299472.db2.gz MRJFGPYCFDTHRP-KRWDZBQOSA-N 1 2 499.607 2.761 20 0 JFADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)N4CCCC4)n3CCCSCC(C)C)C2)CC1 ZINC001296174125 1064301281 /nfs/dbraw/zinc/30/12/81/1064301281.db2.gz NXHMYPTWRAVYBN-OAQYLSRUSA-N 1 2 477.723 2.510 20 0 JFADLO CC[C@@H](C)NC(=O)CCn1c(C2CC2)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC001291810250 1064336060 /nfs/dbraw/zinc/33/60/60/1064336060.db2.gz XMNJOKQJEIKOLF-QGZVFWFLSA-N 1 2 458.582 2.930 20 0 JFADLO CC[C@@H](C)NC(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001291821351 1064359021 /nfs/dbraw/zinc/35/90/21/1064359021.db2.gz BXEBCVGOXKMRNI-GOSISDBHSA-N 1 2 453.616 2.957 20 0 JFADLO CCNC(=O)C(C)(C)Cn1c(Cc2ccccc2OC)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001296241526 1064496973 /nfs/dbraw/zinc/49/69/73/1064496973.db2.gz BZUDQCWRIIFBCQ-UHFFFAOYSA-N 1 2 495.628 2.658 20 0 JFADLO Cc1nnc(CNC(=O)[C@H](Cc2cn(Cc3ccccc3)c[nH+]2)NC(=O)OC(C)(C)C)s1 ZINC001296266135 1064533482 /nfs/dbraw/zinc/53/34/82/1064533482.db2.gz XNXCVCAPQCVKSO-SFHVURJKSA-N 1 2 456.572 2.844 20 0 JFADLO CCC(CC)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC(C)C)CC1)SC ZINC001291932720 1064550945 /nfs/dbraw/zinc/55/09/45/1064550945.db2.gz JNIGVCRCHZJXRI-SFHVURJKSA-N 1 2 457.710 2.880 20 0 JFADLO CCC(CC)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC2)CC1)SC ZINC001291934547 1064553493 /nfs/dbraw/zinc/55/34/93/1064553493.db2.gz YGXDGXVXTNLXGL-KRWDZBQOSA-N 1 2 455.694 2.777 20 0 JFADLO CCNC(=O)N1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001296301677 1064580610 /nfs/dbraw/zinc/58/06/10/1064580610.db2.gz HCVBKDJTNWPRFQ-IFMALSPDSA-N 1 2 499.660 2.607 20 0 JFADLO CCC(CC)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(C)(C)C)[NH+]1CCOCC1 ZINC001291969674 1064585574 /nfs/dbraw/zinc/58/55/74/1064585574.db2.gz XMSGNHNHRVYRQN-WOJBJXKFSA-N 1 2 469.696 2.800 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccco2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001292000517 1064619168 /nfs/dbraw/zinc/61/91/68/1064619168.db2.gz UNTSNPOHJNRFAZ-HSZRJFAPSA-N 1 2 476.647 2.634 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N(CC)C2CC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001292009819 1064634380 /nfs/dbraw/zinc/63/43/80/1064634380.db2.gz ZWPBGHZSJTVGJM-QGZVFWFLSA-N 1 2 455.607 2.854 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[C@@H](C2)C3O)n1CCCNc1cccc[nH+]1 ZINC001292030267 1064687507 /nfs/dbraw/zinc/68/75/07/1064687507.db2.gz PVTOFHOPWFXHRJ-HTZLVSCSSA-N 1 2 455.607 2.691 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C(C)C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001292034908 1064693449 /nfs/dbraw/zinc/69/34/49/1064693449.db2.gz DZFWQEZEPUNDGO-FQEVSTJZSA-N 1 2 469.634 2.959 20 0 JFADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccc(OC(F)F)c(Br)c1 ZINC001292059896 1064728736 /nfs/dbraw/zinc/72/87/36/1064728736.db2.gz YMPBACAMDODNQP-QGZVFWFLSA-N 1 2 451.333 2.988 20 0 JFADLO Cc1cccc(CNC(=O)c2ccc(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)cc2)c1 ZINC001292059906 1064728798 /nfs/dbraw/zinc/72/87/98/1064728798.db2.gz YZVGMFWWBLEAGP-VWLOTQADSA-N 1 2 453.608 2.863 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@@](C)(O)[C@@H](C)CC ZINC001292116232 1064836955 /nfs/dbraw/zinc/83/69/55/1064836955.db2.gz PFFNGJNMHBSQMX-MHECFPHRSA-N 1 2 457.623 2.715 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3nc(C)cs3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001292121842 1064853662 /nfs/dbraw/zinc/85/36/62/1064853662.db2.gz HLPMPQQWYBVXDB-UHFFFAOYSA-N 1 2 497.673 2.797 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CCC1(F)CCC1 ZINC001292122295 1064856678 /nfs/dbraw/zinc/85/66/78/1064856678.db2.gz PNCVRCCINGIPNR-UHFFFAOYSA-N 1 2 458.586 2.904 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)n1CC(F)(F)F ZINC001292125402 1064869227 /nfs/dbraw/zinc/86/92/27/1064869227.db2.gz SCPNXSXOCRLZJL-UHFFFAOYSA-N 1 2 496.534 2.852 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001292138149 1064905831 /nfs/dbraw/zinc/90/58/31/1064905831.db2.gz XAJGOOBDOMNDBJ-LJQANCHMSA-N 1 2 464.655 2.559 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001292138149 1064905838 /nfs/dbraw/zinc/90/58/38/1064905838.db2.gz XAJGOOBDOMNDBJ-LJQANCHMSA-N 1 2 464.655 2.559 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](C)[C@H]2C)n1CC[N@@H+]1CCOCC1(C)C ZINC001292147108 1064925609 /nfs/dbraw/zinc/92/56/09/1064925609.db2.gz KBKQQXUXADYZGI-SJORKVTESA-N 1 2 452.669 2.638 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](C)[C@H]2C)n1CC[N@H+]1CCOCC1(C)C ZINC001292147108 1064925620 /nfs/dbraw/zinc/92/56/20/1064925620.db2.gz KBKQQXUXADYZGI-SJORKVTESA-N 1 2 452.669 2.638 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCSCC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001292151540 1064929774 /nfs/dbraw/zinc/92/97/74/1064929774.db2.gz PTFBNNWJEOQATL-NRFANRHFSA-N 1 2 472.659 2.651 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCSCC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001292151540 1064929787 /nfs/dbraw/zinc/92/97/87/1064929787.db2.gz PTFBNNWJEOQATL-NRFANRHFSA-N 1 2 472.659 2.651 20 0 JFADLO CC[C@H](Cn1c(-c2cnccn2)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1)OC ZINC001292207800 1064995948 /nfs/dbraw/zinc/99/59/48/1064995948.db2.gz LPVILYCSPJQLLQ-IEBWSBKVSA-N 1 2 457.604 2.731 20 0 JFADLO CCC(O)(CC)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC001292268869 1065048853 /nfs/dbraw/zinc/04/88/53/1065048853.db2.gz XTLULSOLTFWIED-UHFFFAOYSA-N 1 2 488.608 2.535 20 0 JFADLO CCC(O)(CC)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001292292784 1065064732 /nfs/dbraw/zinc/06/47/32/1065064732.db2.gz BOTYKJIJOQSZFV-UHFFFAOYSA-N 1 2 469.565 2.972 20 0 JFADLO CC[C@]1(C)CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CCO1 ZINC001292366237 1065107758 /nfs/dbraw/zinc/10/77/58/1065107758.db2.gz WXVNOKILDXPDIF-IEGUWTFLSA-N 1 2 462.545 2.816 20 0 JFADLO CC[C@]1(C)CN(c2nnc(COc3ccccc3OC)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001292378606 1065122027 /nfs/dbraw/zinc/12/20/27/1065122027.db2.gz GIMWURLYVUPBGY-NTKDMRAZSA-N 1 2 459.591 2.592 20 0 JFADLO CCc1ccc(-c2nnc(N3CC[C@H]([NH+]4CCN(C(C)C)CC4)C3)n2C[C@H](COC)OC)cc1 ZINC001292497260 1065215919 /nfs/dbraw/zinc/21/59/19/1065215919.db2.gz DNSKLASUSRQTEF-BJKOFHAPSA-N 1 2 470.662 2.774 20 0 JFADLO CCc1ccc(-c2nnc(N3CC[C@H]([NH+]4CCN(C(C)C)CC4)C3)n2C[C@@H](COC)OC)cc1 ZINC001292497270 1065216426 /nfs/dbraw/zinc/21/64/26/1065216426.db2.gz DNSKLASUSRQTEF-ZEQRLZLVSA-N 1 2 470.662 2.774 20 0 JFADLO CCc1ccc(-c2nnc(N3CC[NH+](CC(=O)N4CCCC[C@@H]4C)CC3)n2CCOC)cc1 ZINC001292518557 1065242709 /nfs/dbraw/zinc/24/27/09/1065242709.db2.gz USYCYKSJBPXUDG-FQEVSTJZSA-N 1 2 454.619 2.677 20 0 JFADLO CCc1ccc(-c2nnc(N3CC[NH+]([C@@H](C)C(=O)N4CCCC4)CC3)n2C[C@@H](F)COC)cc1 ZINC001292518613 1065242987 /nfs/dbraw/zinc/24/29/87/1065242987.db2.gz QDISRPUYFSKCAK-SIKLNZKXSA-N 1 2 472.609 2.625 20 0 JFADLO CCc1ccccc1OCc1nnc(N(C)Cc2cnc(C)s2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001292583565 1065299336 /nfs/dbraw/zinc/29/93/36/1065299336.db2.gz GXBTUVATQASTMR-UHFFFAOYSA-N 1 2 497.669 2.985 20 0 JFADLO CCc1ccccc1OCc1nnc(N2CCO[C@](C)(CC)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001292620174 1065357304 /nfs/dbraw/zinc/35/73/04/1065357304.db2.gz ZDMPUBSFUAHQNK-AREMUKBSSA-N 1 2 484.645 2.589 20 0 JFADLO CCc1ccccc1OCc1nnc(Nc2cnn(C)c2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001292623870 1065359776 /nfs/dbraw/zinc/35/97/76/1065359776.db2.gz GKGLZLRSTDKBIC-LJQANCHMSA-N 1 2 452.607 2.923 20 0 JFADLO CCc1cnc(CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)[NH+]2CCOCC2)s1 ZINC001292647099 1065382546 /nfs/dbraw/zinc/38/25/46/1065382546.db2.gz NJOANMVAVVAPKJ-GOSISDBHSA-N 1 2 458.636 2.516 20 0 JFADLO CCc1nc(C)c([C@H](C)N(C)c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)s1 ZINC001292673447 1065413298 /nfs/dbraw/zinc/41/32/98/1065413298.db2.gz KWWHRPGLBQNWFE-AZUAARDMSA-N 1 2 489.690 2.861 20 0 JFADLO CCc1nnc(Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)CC[NH+]2CCOCC2)s1 ZINC001292785642 1065547481 /nfs/dbraw/zinc/54/74/81/1065547481.db2.gz IOEPYTWWWPAFQZ-INIZCTEOSA-N 1 2 475.594 2.788 20 0 JFADLO CCc1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1Cc1ccc(OC)nc1OC ZINC001292824802 1065567498 /nfs/dbraw/zinc/56/74/98/1065567498.db2.gz KZXSTLSOEJKDTR-SFHVURJKSA-N 1 2 472.615 2.872 20 0 JFADLO CCc1nnc(N(C)CCN2C(=O)c3ccccc3C2=O)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001292865335 1065579853 /nfs/dbraw/zinc/57/98/53/1065579853.db2.gz XAIKTROWEYLLNP-UHFFFAOYSA-N 1 2 461.570 2.862 20 0 JFADLO CCc1nnc(N2C[C@@H](C(=O)NCCOC)CC[C@H]2C)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001292891964 1065588419 /nfs/dbraw/zinc/58/84/19/1065588419.db2.gz BZAVORXYXSUHHH-CTNGQTDRSA-N 1 2 469.634 2.642 20 0 JFADLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)c(OCCOC(C)C)c1 ZINC001292946716 1065629089 /nfs/dbraw/zinc/62/90/89/1065629089.db2.gz KCCSEFNAPKPZOT-UHFFFAOYSA-N 1 2 455.555 2.556 20 0 JFADLO CCc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001292959584 1065637905 /nfs/dbraw/zinc/63/79/05/1065637905.db2.gz AXXBLBAPJXUWLJ-LJQANCHMSA-N 1 2 485.633 2.814 20 0 JFADLO CCc1nnc(N2CCN(C(=O)N(CC)CC)CC2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001293085489 1065735810 /nfs/dbraw/zinc/73/58/10/1065735810.db2.gz DZKZXFUMUFQAJR-HSZRJFAPSA-N 1 2 483.661 2.806 20 0 JFADLO CCc1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001293096318 1065746190 /nfs/dbraw/zinc/74/61/90/1065746190.db2.gz WWHXQHWGQPZBAW-SJORKVTESA-N 1 2 467.540 2.582 20 0 JFADLO CCc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001293122453 1065775324 /nfs/dbraw/zinc/77/53/24/1065775324.db2.gz SLDRNLSZIYSHRG-IBGZPJMESA-N 1 2 484.542 2.764 20 0 JFADLO CCc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001293122453 1065775340 /nfs/dbraw/zinc/77/53/40/1065775340.db2.gz SLDRNLSZIYSHRG-IBGZPJMESA-N 1 2 484.542 2.764 20 0 JFADLO CCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001293130525 1065781567 /nfs/dbraw/zinc/78/15/67/1065781567.db2.gz HVUFDGQTPUQYEI-WMTXJRDZSA-N 1 2 476.710 2.913 20 0 JFADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CN(C(=O)C(C)(C)C)CCO1 ZINC001293136222 1065786788 /nfs/dbraw/zinc/78/67/88/1065786788.db2.gz DMGXVFADSDCTNA-QFIPXVFZSA-N 1 2 456.587 2.974 20 0 JFADLO Cc1c(C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)nnn1-c1cccc(Cl)c1 ZINC001293136837 1065787644 /nfs/dbraw/zinc/78/76/44/1065787644.db2.gz JRKUBRYEANMWKV-UHFFFAOYSA-N 1 2 454.962 2.989 20 0 JFADLO CCc1nc(C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)nn1-c1ccccc1F ZINC001293137716 1065788109 /nfs/dbraw/zinc/78/81/09/1065788109.db2.gz PHBTVSRBPJGSEJ-UHFFFAOYSA-N 1 2 452.534 2.729 20 0 JFADLO Cc1c(C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)nnn1Cc1ccc(F)cc1 ZINC001293138462 1065788843 /nfs/dbraw/zinc/78/88/43/1065788843.db2.gz WJYHQBQRBARGRQ-UHFFFAOYSA-N 1 2 452.534 2.534 20 0 JFADLO CCc1noc([C@H](C)N2CCN(c3nnc(CC(C)C)n3Cc3c[nH+]ccc3OC)CC2)n1 ZINC001293188036 1065812949 /nfs/dbraw/zinc/81/29/49/1065812949.db2.gz JUZZFLITBSGZMY-KRWDZBQOSA-N 1 2 454.579 2.757 20 0 JFADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)CNS(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC001293202909 1065830566 /nfs/dbraw/zinc/83/05/66/1065830566.db2.gz JQKQGPCSDGUKRA-INIZCTEOSA-N 1 2 451.976 2.532 20 0 JFADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001293215260 1065850687 /nfs/dbraw/zinc/85/06/87/1065850687.db2.gz FXTGLLRITOXATH-ABSDTBQOSA-N 1 2 477.009 2.507 20 0 JFADLO NC(=O)[C@@H]1CC(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)=NN1c1ccccc1 ZINC001293321939 1065948245 /nfs/dbraw/zinc/94/82/45/1065948245.db2.gz ILXRXXDHOOMQGW-UTKZUKDTSA-N 1 2 457.937 2.680 20 0 JFADLO NC(=O)[C@@H]1CC(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)=NN1c1ccccc1 ZINC001293321939 1065948257 /nfs/dbraw/zinc/94/82/57/1065948257.db2.gz ILXRXXDHOOMQGW-UTKZUKDTSA-N 1 2 457.937 2.680 20 0 JFADLO NC(=O)[C@H]1CC(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)=NN1c1ccccc1 ZINC001293321937 1065948305 /nfs/dbraw/zinc/94/83/05/1065948305.db2.gz ILXRXXDHOOMQGW-LAUBAEHRSA-N 1 2 457.937 2.680 20 0 JFADLO NC(=O)[C@H]1CC(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)=NN1c1ccccc1 ZINC001293321937 1065948310 /nfs/dbraw/zinc/94/83/10/1065948310.db2.gz ILXRXXDHOOMQGW-LAUBAEHRSA-N 1 2 457.937 2.680 20 0 JFADLO CN(CCC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001293350003 1065960157 /nfs/dbraw/zinc/96/01/57/1065960157.db2.gz LGHOFYOIVFVSCM-IBGZPJMESA-N 1 2 450.583 2.619 20 0 JFADLO CN(CCC(=O)NC[C@H]1CN(C)CC[N@H+]1C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001293350003 1065960172 /nfs/dbraw/zinc/96/01/72/1065960172.db2.gz LGHOFYOIVFVSCM-IBGZPJMESA-N 1 2 450.583 2.619 20 0 JFADLO Cc1ccc(S(=O)(=O)NC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)c2ccccc2)c(C)c1 ZINC001293398890 1065993312 /nfs/dbraw/zinc/99/33/12/1065993312.db2.gz OJCCAWZEPCGSEV-UNMCSNQZSA-N 1 2 452.580 2.898 20 0 JFADLO CC[C@@H]1CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001293419391 1066001588 /nfs/dbraw/zinc/00/15/88/1066001588.db2.gz YFTNLYSFYOZPCA-NNWRFLSQSA-N 1 2 490.674 2.649 20 0 JFADLO CC[C@@H]1CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001293436085 1066006518 /nfs/dbraw/zinc/00/65/18/1066006518.db2.gz ONYHIKYMXGWCBC-VAMGGRTRSA-N 1 2 478.638 2.686 20 0 JFADLO CC[C@@H]1CCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001293436085 1066006531 /nfs/dbraw/zinc/00/65/31/1066006531.db2.gz ONYHIKYMXGWCBC-VAMGGRTRSA-N 1 2 478.638 2.686 20 0 JFADLO CC[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001293452429 1066011371 /nfs/dbraw/zinc/01/13/71/1066011371.db2.gz OFPQHYWILGELCM-UYAOXDASSA-N 1 2 458.582 2.958 20 0 JFADLO CC[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001293506420 1066030026 /nfs/dbraw/zinc/03/00/26/1066030026.db2.gz QTIZVOZOKOXJHL-RTWAWAEBSA-N 1 2 489.665 2.751 20 0 JFADLO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCS(C)(=O)=O)CC[N@@H+]1CCOC ZINC001293554352 1066068936 /nfs/dbraw/zinc/06/89/36/1066068936.db2.gz UFNMEMGMCOSEJC-INIZCTEOSA-N 1 2 490.457 2.844 20 0 JFADLO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCS(C)(=O)=O)CC[N@H+]1CCOC ZINC001293554352 1066068947 /nfs/dbraw/zinc/06/89/47/1066068947.db2.gz UFNMEMGMCOSEJC-INIZCTEOSA-N 1 2 490.457 2.844 20 0 JFADLO CC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCS(=O)(=O)CC)CC[N@@H+]1CCOC ZINC001293565685 1066077596 /nfs/dbraw/zinc/07/75/96/1066077596.db2.gz OMUCYJITHOBKGU-KRWDZBQOSA-N 1 2 470.039 2.580 20 0 JFADLO CC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCS(=O)(=O)CC)CC[N@H+]1CCOC ZINC001293565685 1066077609 /nfs/dbraw/zinc/07/76/09/1066077609.db2.gz OMUCYJITHOBKGU-KRWDZBQOSA-N 1 2 470.039 2.580 20 0 JFADLO CC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(C)(C)C)CC[N@@H+]1CCOC ZINC001293597835 1066111076 /nfs/dbraw/zinc/11/10/76/1066111076.db2.gz IIKHIRFNVFPXMH-OALUTQOASA-N 1 2 455.669 2.554 20 0 JFADLO CC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(C)(C)C)CC[N@H+]1CCOC ZINC001293597835 1066111078 /nfs/dbraw/zinc/11/10/78/1066111078.db2.gz IIKHIRFNVFPXMH-OALUTQOASA-N 1 2 455.669 2.554 20 0 JFADLO CC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC[S@@](=O)CC)C[C@H]1[NH+]1CCOCC1 ZINC001293613458 1066130942 /nfs/dbraw/zinc/13/09/42/1066130942.db2.gz SAZCDKFLVQIBKA-OLXQUKBGSA-N 1 2 480.078 2.838 20 0 JFADLO CC[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@@H](C)O1 ZINC001293635619 1066151397 /nfs/dbraw/zinc/15/13/97/1066151397.db2.gz NYRUIUJEUKTSFD-AEFFLSMTSA-N 1 2 469.615 2.783 20 0 JFADLO CC[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@H](C)O1 ZINC001293635620 1066151786 /nfs/dbraw/zinc/15/17/86/1066151786.db2.gz NYRUIUJEUKTSFD-FUHWJXTLSA-N 1 2 469.615 2.783 20 0 JFADLO CC[C@@H]1CN(c2nnc(COc3ccccc3OC)n2CC[N@@H+]2CCOC[C@H]2C)C[C@H](C)O1 ZINC001293645528 1066160746 /nfs/dbraw/zinc/16/07/46/1066160746.db2.gz WACTWDXCAYKCSX-HSALFYBXSA-N 1 2 459.591 2.590 20 0 JFADLO CC[C@@H]1CN(c2nnc(COc3ccccc3OC)n2CC[N@H+]2CCOC[C@H]2C)C[C@H](C)O1 ZINC001293645528 1066160747 /nfs/dbraw/zinc/16/07/47/1066160747.db2.gz WACTWDXCAYKCSX-HSALFYBXSA-N 1 2 459.591 2.590 20 0 JFADLO CC[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001293647069 1066162056 /nfs/dbraw/zinc/16/20/56/1066162056.db2.gz BJIPMIYEUPZHRB-OAQYLSRUSA-N 1 2 472.659 2.658 20 0 JFADLO CCCC(=O)N[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001293763611 1066250962 /nfs/dbraw/zinc/25/09/62/1066250962.db2.gz XFYMKCUXKCWKRI-NRFANRHFSA-N 1 2 479.633 2.534 20 0 JFADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 ZINC001293776358 1066269537 /nfs/dbraw/zinc/26/95/37/1066269537.db2.gz JQTWONDJWYXASZ-IBGZPJMESA-N 1 2 455.534 2.879 20 0 JFADLO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001293785226 1066283932 /nfs/dbraw/zinc/28/39/32/1066283932.db2.gz MEUGITGRROCQLS-QUCCMNQESA-N 1 2 458.607 2.700 20 0 JFADLO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001293785226 1066283943 /nfs/dbraw/zinc/28/39/43/1066283943.db2.gz MEUGITGRROCQLS-QUCCMNQESA-N 1 2 458.607 2.700 20 0 JFADLO CCC[C@@H](C)C(=O)NCCn1c(CC2CCCC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001293866690 1066378920 /nfs/dbraw/zinc/37/89/20/1066378920.db2.gz FDCHLRKHVDFSCJ-LJQANCHMSA-N 1 2 468.650 2.988 20 0 JFADLO CCC[C@H](Cn1c(-c2ccccc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)OC ZINC001293961497 1066461091 /nfs/dbraw/zinc/46/10/91/1066461091.db2.gz AJIOULIEEJHPKM-IFMALSPDSA-N 1 2 454.619 2.893 20 0 JFADLO CCC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1)OC ZINC001293968287 1066468517 /nfs/dbraw/zinc/46/85/17/1066468517.db2.gz CDVHQFCMZZAENS-QUCCMNQESA-N 1 2 457.623 2.658 20 0 JFADLO CCCC1(Cn2c(-c3cnn(C)c3)nnc2N2CC[NH+](CC(=O)N(CC)CC)CC2)CCC1 ZINC001294023392 1066512574 /nfs/dbraw/zinc/51/25/74/1066512574.db2.gz UYJSGYJLCLLKPM-UHFFFAOYSA-N 1 2 456.639 2.639 20 0 JFADLO CCC[C@H]1CN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(N3CCO[C@H](C)C3)[nH+]c2)CCO1 ZINC001294054961 1066528014 /nfs/dbraw/zinc/52/80/14/1066528014.db2.gz QRKJCOUCVOYXPY-KNQAVFIVSA-N 1 2 499.660 2.870 20 0 JFADLO CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCCCS2(=O)=O)CC[N@@H+]1CCOC ZINC001294072062 1066541048 /nfs/dbraw/zinc/54/10/48/1066541048.db2.gz CYKSCKZMNJWJAC-PMACEKPBSA-N 1 2 493.649 2.989 20 0 JFADLO CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCCCS2(=O)=O)CC[N@H+]1CCOC ZINC001294072062 1066541057 /nfs/dbraw/zinc/54/10/57/1066541057.db2.gz CYKSCKZMNJWJAC-PMACEKPBSA-N 1 2 493.649 2.989 20 0 JFADLO CCC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC(F)(F)C2)CC[N@@H+]1CCOC ZINC001294085068 1066554753 /nfs/dbraw/zinc/55/47/53/1066554753.db2.gz CXLRJJVQFCMVCG-GBESFXJTSA-N 1 2 489.633 2.553 20 0 JFADLO CCC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC(F)(F)C2)CC[N@H+]1CCOC ZINC001294085068 1066554757 /nfs/dbraw/zinc/55/47/57/1066554757.db2.gz CXLRJJVQFCMVCG-GBESFXJTSA-N 1 2 489.633 2.553 20 0 JFADLO CCC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C)CCCC2)CC[N@@H+]1CCOC ZINC001294085075 1066554799 /nfs/dbraw/zinc/55/47/99/1066554799.db2.gz DAGOBMWHOKPQJK-VQTJNVASSA-N 1 2 467.680 2.698 20 0 JFADLO CCC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C)CCCC2)CC[N@H+]1CCOC ZINC001294085075 1066554803 /nfs/dbraw/zinc/55/48/03/1066554803.db2.gz DAGOBMWHOKPQJK-VQTJNVASSA-N 1 2 467.680 2.698 20 0 JFADLO CCC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC(F)(F)C2)CC[N@@H+]1CCOC ZINC001294085067 1066554838 /nfs/dbraw/zinc/55/48/38/1066554838.db2.gz CXLRJJVQFCMVCG-CEXWTWQISA-N 1 2 489.633 2.553 20 0 JFADLO CCC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC(F)(F)C2)CC[N@H+]1CCOC ZINC001294085067 1066554845 /nfs/dbraw/zinc/55/48/45/1066554845.db2.gz CXLRJJVQFCMVCG-CEXWTWQISA-N 1 2 489.633 2.553 20 0 JFADLO COCCN1CC[N@H+](C)C2(CCN(c3c(Cl)nnc(Cl)c3N3CCCCC3)CC2)C1=O ZINC001164644649 719285439 /nfs/dbraw/zinc/28/54/39/719285439.db2.gz ODXUNHQZCWJIFH-UHFFFAOYSA-N 1 2 471.433 2.533 20 0 JFADLO COCCN1CC[N@@H+](C)C2(CCN(c3c(Cl)nnc(Cl)c3N3CCCCC3)CC2)C1=O ZINC001164644649 719285443 /nfs/dbraw/zinc/28/54/43/719285443.db2.gz ODXUNHQZCWJIFH-UHFFFAOYSA-N 1 2 471.433 2.533 20 0 JFADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)cc3c1C(=O)NC3=O)CC2 ZINC001164658048 719353439 /nfs/dbraw/zinc/35/34/39/719353439.db2.gz CDHQBXKIZIIBOZ-UHFFFAOYSA-N 1 2 456.550 2.968 20 0 JFADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)cc3c1C(=O)NC3=O)CC2 ZINC001164658048 719353442 /nfs/dbraw/zinc/35/34/42/719353442.db2.gz CDHQBXKIZIIBOZ-UHFFFAOYSA-N 1 2 456.550 2.968 20 0 JFADLO CCOC(=O)c1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1C(=O)OCC ZINC001164671431 719500979 /nfs/dbraw/zinc/50/09/79/719500979.db2.gz FKIGXZLQBXXMAS-UHFFFAOYSA-N 1 2 486.544 2.841 20 0 JFADLO CCOC(=O)c1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1C(=O)OCC ZINC001164671431 719500992 /nfs/dbraw/zinc/50/09/92/719500992.db2.gz FKIGXZLQBXXMAS-UHFFFAOYSA-N 1 2 486.544 2.841 20 0 JFADLO O=C([C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CC12CCOCC2)N1CC=CC1 ZINC001164676644 719557174 /nfs/dbraw/zinc/55/71/74/719557174.db2.gz DLOWDAYXPLJLHC-QHCPKHFHSA-N 1 2 459.594 2.666 20 0 JFADLO O=C([C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CC12CCOCC2)N1CC=CC1 ZINC001164676644 719557183 /nfs/dbraw/zinc/55/71/83/719557183.db2.gz DLOWDAYXPLJLHC-QHCPKHFHSA-N 1 2 459.594 2.666 20 0 JFADLO O=C(c1cccnc1N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164690639 719770284 /nfs/dbraw/zinc/77/02/84/719770284.db2.gz GLIZILQHXUUGNC-IZZNHLLZSA-N 1 2 496.615 2.814 20 0 JFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C(=O)NCc2ccccc2)cc(Cl)n1 ZINC001164699308 719845086 /nfs/dbraw/zinc/84/50/86/719845086.db2.gz HDXHNSVNFBMFPF-CJFMBICVSA-N 1 2 487.000 2.898 20 0 JFADLO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164698385 719852412 /nfs/dbraw/zinc/85/24/12/719852412.db2.gz BWAGAUAKBPHJHB-WNSKOXEYSA-N 1 2 476.961 2.693 20 0 JFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)ncc1OCc1ccccc1 ZINC001164706993 719855856 /nfs/dbraw/zinc/85/58/56/719855856.db2.gz ZVLGRRSDLMOMDB-JPYJTQIMSA-N 1 2 460.962 2.942 20 0 JFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2nc1N1CCCCC1 ZINC001164707191 719866437 /nfs/dbraw/zinc/86/64/37/719866437.db2.gz RARMMKPDBWCUAT-KBMIEXCESA-N 1 2 453.587 2.853 20 0 JFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncccc1C(=O)N1CCc2ccccc21 ZINC001164706197 719867799 /nfs/dbraw/zinc/86/77/99/719867799.db2.gz PCGPTIJIDIXKEL-FNZWTVRRSA-N 1 2 464.566 2.517 20 0 JFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2oc(-c3ccc(C)cc3)nc21 ZINC001164707814 719869802 /nfs/dbraw/zinc/86/98/02/719869802.db2.gz VPLHTBQPDXWFDJ-UUOWRZLLSA-N 1 2 451.527 2.826 20 0 JFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2oc(-c3ccc(C)cc3)nc21 ZINC001164707813 719869821 /nfs/dbraw/zinc/86/98/21/719869821.db2.gz VPLHTBQPDXWFDJ-MHECFPHRSA-N 1 2 451.527 2.826 20 0 JFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)COC(=O)Nc1ccc(Cl)nc1 ZINC001164705358 719879031 /nfs/dbraw/zinc/87/90/31/719879031.db2.gz YGOAOBDPGSFVTP-HNAYVOBHSA-N 1 2 476.908 2.605 20 0 JFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)COC(=O)Nc1ccc(Cl)nc1 ZINC001164704976 719879332 /nfs/dbraw/zinc/87/93/32/719879332.db2.gz YGOAOBDPGSFVTP-BEFAXECRSA-N 1 2 476.908 2.605 20 0 JFADLO Cc1ccc(Oc2nc(Cl)ncc2N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)cc1 ZINC001164708771 719935926 /nfs/dbraw/zinc/93/59/26/719935926.db2.gz PSESWGBHTAFDIP-UHFFFAOYSA-N 1 2 481.988 2.915 20 0 JFADLO COc1ccc(Oc2nc(Cl)ncc2N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)cc1 ZINC001164708548 719937899 /nfs/dbraw/zinc/93/78/99/719937899.db2.gz KXAZDAPONUUDKT-UHFFFAOYSA-N 1 2 497.987 2.615 20 0 JFADLO CCO[C@@H]1CN(c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCCO[C@@H]12 ZINC001164712213 720061819 /nfs/dbraw/zinc/06/18/19/720061819.db2.gz KMBHZCDQBRKEGY-WXFUMESZSA-N 1 2 450.583 2.812 20 0 JFADLO CCO[C@@H]1CN(c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H]2CCCO[C@H]12 ZINC001164712211 720062006 /nfs/dbraw/zinc/06/20/06/720062006.db2.gz KMBHZCDQBRKEGY-VXNXHJTFSA-N 1 2 450.583 2.812 20 0 JFADLO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCC[C@@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164721257 720282964 /nfs/dbraw/zinc/28/29/64/720282964.db2.gz IPXJUBFHFZDKGT-XMMPIXPASA-N 1 2 474.989 2.730 20 0 JFADLO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCC[C@@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164721257 720282976 /nfs/dbraw/zinc/28/29/76/720282976.db2.gz IPXJUBFHFZDKGT-XMMPIXPASA-N 1 2 474.989 2.730 20 0 JFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3ccc(C)cc3)C2)C1 ZINC001164723374 720306238 /nfs/dbraw/zinc/30/62/38/720306238.db2.gz OIOFKUHOHXGDIE-HSZRJFAPSA-N 1 2 459.978 2.896 20 0 JFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3ccc(C)cc3)C2)C1 ZINC001164723374 720306244 /nfs/dbraw/zinc/30/62/44/720306244.db2.gz OIOFKUHOHXGDIE-HSZRJFAPSA-N 1 2 459.978 2.896 20 0 JFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3ccccc3C)C2)C1 ZINC001164721519 720306934 /nfs/dbraw/zinc/30/69/34/720306934.db2.gz HJNQDANWKLLMNP-HSZRJFAPSA-N 1 2 459.978 2.896 20 0 JFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3ccccc3C)C2)C1 ZINC001164721519 720306940 /nfs/dbraw/zinc/30/69/40/720306940.db2.gz HJNQDANWKLLMNP-HSZRJFAPSA-N 1 2 459.978 2.896 20 0 JFADLO CCOC(=O)c1cnc(C(F)(F)N2CCc3c([nH+]cn3C(C)C)[C@@H]2CNC(C)=O)nc1Cl ZINC001164723763 720311198 /nfs/dbraw/zinc/31/11/98/720311198.db2.gz PASHWFSRRAJRMQ-HNNXBMFYSA-N 1 2 470.908 2.869 20 0 JFADLO CCOC(=O)c1cnc(C(F)(F)N2CCc3c([nH+]cn3C(C)C)[C@H]2CNC(C)=O)nc1Cl ZINC001164723766 720311492 /nfs/dbraw/zinc/31/14/92/720311492.db2.gz PASHWFSRRAJRMQ-OAHLLOKOSA-N 1 2 470.908 2.869 20 0 JFADLO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c1 ZINC001164826647 720356635 /nfs/dbraw/zinc/35/66/35/720356635.db2.gz YCQGYGSOPKJMLS-UHFFFAOYSA-N 1 2 478.018 2.990 20 0 JFADLO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c1 ZINC001164826647 720356643 /nfs/dbraw/zinc/35/66/43/720356643.db2.gz YCQGYGSOPKJMLS-UHFFFAOYSA-N 1 2 478.018 2.990 20 0 JFADLO CCOC(=O)c1cnc(Cl)cc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164826845 720358136 /nfs/dbraw/zinc/35/81/36/720358136.db2.gz ZQNUWYQITIHHKV-UHFFFAOYSA-N 1 2 478.018 2.990 20 0 JFADLO CCOC(=O)c1cnc(Cl)cc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164826845 720358148 /nfs/dbraw/zinc/35/81/48/720358148.db2.gz ZQNUWYQITIHHKV-UHFFFAOYSA-N 1 2 478.018 2.990 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5c4ccn5C)CC3)C2=O)cs1 ZINC001164824804 720365935 /nfs/dbraw/zinc/36/59/35/720365935.db2.gz MJTZRRPIMOBNLO-UHFFFAOYSA-N 1 2 460.007 2.700 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5c4ccn5C)CC3)C2=O)cs1 ZINC001164824804 720365943 /nfs/dbraw/zinc/36/59/43/720365943.db2.gz MJTZRRPIMOBNLO-UHFFFAOYSA-N 1 2 460.007 2.700 20 0 JFADLO COc1nc(Cl)nc(C)c1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164821039 720369177 /nfs/dbraw/zinc/36/91/77/720369177.db2.gz WDXHMROKQRLVML-UHFFFAOYSA-N 1 2 450.996 2.525 20 0 JFADLO COc1nc(Cl)nc(C)c1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164821039 720369188 /nfs/dbraw/zinc/36/91/88/720369188.db2.gz WDXHMROKQRLVML-UHFFFAOYSA-N 1 2 450.996 2.525 20 0 JFADLO CCOC(=O)c1ccc(C(F)(F)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)c(Cl)n1 ZINC001164830084 720398920 /nfs/dbraw/zinc/39/89/20/720398920.db2.gz PRNDSQNDUMEAEB-UHFFFAOYSA-N 1 2 451.865 2.703 20 0 JFADLO CSc1nc(Cl)cc(C(F)(F)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164827056 720433840 /nfs/dbraw/zinc/43/38/40/720433840.db2.gz YUKMRWFGALAJNW-AWEZNQCLSA-N 1 2 488.992 2.583 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3ccc(F)cc31)C2 ZINC001164827017 720434450 /nfs/dbraw/zinc/43/44/50/720434450.db2.gz YKLFSRILPFGUGP-HNNXBMFYSA-N 1 2 460.941 2.608 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1ccc(F)c(Cl)n1)C2 ZINC001164823377 720436297 /nfs/dbraw/zinc/43/62/97/720436297.db2.gz IONOLBDVFUFHOY-AWEZNQCLSA-N 1 2 459.900 2.605 20 0 JFADLO Cc1cccc2c1nc(Cl)nc2N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164822068 720444207 /nfs/dbraw/zinc/44/42/07/720444207.db2.gz CHTIXGAASRYFBL-QGZVFWFLSA-N 1 2 456.978 2.778 20 0 JFADLO Cc1cc2c(nc(Cl)nc2N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)s1 ZINC001164822794 720444245 /nfs/dbraw/zinc/44/42/45/720444245.db2.gz HWDYHRCRAPAEFN-OAHLLOKOSA-N 1 2 463.007 2.839 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3c1CCCCC3)C2 ZINC001164825161 720448182 /nfs/dbraw/zinc/44/81/82/720448182.db2.gz QJDSPJBPFVVNND-KRWDZBQOSA-N 1 2 461.010 2.585 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)ncc1-c1ccccc1)C2 ZINC001164824164 720454910 /nfs/dbraw/zinc/45/49/10/720454910.db2.gz NDPRJRUHOXELLX-IBGZPJMESA-N 1 2 468.989 2.983 20 0 JFADLO CSc1nc2ccccc2c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164828841 720457616 /nfs/dbraw/zinc/45/76/16/720457616.db2.gz BBKNFYFHYZTGSV-QGZVFWFLSA-N 1 2 454.600 2.538 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(F)cc3ncnc(Cl)c31)C2 ZINC001164832312 720466946 /nfs/dbraw/zinc/46/69/46/720466946.db2.gz TXHNFDGENBESAP-OAHLLOKOSA-N 1 2 460.941 2.608 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncnc3[nH]c4ccc(Cl)cc4c31)C2 ZINC001164830720 720467985 /nfs/dbraw/zinc/46/79/85/720467985.db2.gz LHRRMXBHMZUSJV-INIZCTEOSA-N 1 2 481.988 2.951 20 0 JFADLO CC(C)c1ccc2ncnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c2c1 ZINC001164828753 720471922 /nfs/dbraw/zinc/47/19/22/720471922.db2.gz AKFCWMRQNYBFAI-FQEVSTJZSA-N 1 2 450.587 2.939 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(-c3cccc(Cl)c3)ncn1)C2 ZINC001164832253 720474064 /nfs/dbraw/zinc/47/40/64/720474064.db2.gz RWAXCRVTISTXQJ-IBGZPJMESA-N 1 2 468.989 2.983 20 0 JFADLO Cc1ccc(C)c(-c2ccc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nn2)c1 ZINC001164829209 720474089 /nfs/dbraw/zinc/47/40/89/720474089.db2.gz DNDYOEBTTJCHSG-NRFANRHFSA-N 1 2 462.598 2.947 20 0 JFADLO Cc1cc(OCc2ccccc2)nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164831889 720478619 /nfs/dbraw/zinc/47/86/19/720478619.db2.gz HVSIOYOVTFLZMD-JOCHJYFZSA-N 1 2 478.597 2.550 20 0 JFADLO Cc1c(Cl)nc(CC(C)C)nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164834497 720479601 /nfs/dbraw/zinc/47/96/01/720479601.db2.gz SROYPVMNEQNHAK-GOSISDBHSA-N 1 2 463.026 2.823 20 0 JFADLO Cc1c(Cl)nc(C2CCC2)nc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164835692 720480694 /nfs/dbraw/zinc/48/06/94/720480694.db2.gz ZTABBSNVESDWJN-SFHVURJKSA-N 1 2 461.010 2.892 20 0 JFADLO CCc1nc(Cl)nc(Cl)c1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164835083 720480778 /nfs/dbraw/zinc/48/07/78/720480778.db2.gz WNKVEODNHICIHH-AWEZNQCLSA-N 1 2 455.390 2.532 20 0 JFADLO CCc1nc(Cl)nc(Cl)c1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164835084 720480853 /nfs/dbraw/zinc/48/08/53/720480853.db2.gz WNKVEODNHICIHH-CQSZACIVSA-N 1 2 455.390 2.532 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)Oc1ccc(Cl)nc1Cl)C2 ZINC001164830686 720480930 /nfs/dbraw/zinc/48/09/30/720480930.db2.gz CJPKNTTUMHGFIN-CQSZACIVSA-N 1 2 492.354 2.999 20 0 JFADLO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001164859329 720896750 /nfs/dbraw/zinc/89/67/50/720896750.db2.gz OZRZCOQCFYIBJF-UHFFFAOYSA-N 1 2 479.875 2.584 20 0 JFADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(Cl)(Cl)Oc1ccc(Cl)nc1)C2 ZINC001164859398 720896878 /nfs/dbraw/zinc/89/68/78/720896878.db2.gz PUJXNQPPZLUXCX-UHFFFAOYSA-N 1 2 455.733 2.910 20 0 JFADLO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164755833 720973869 /nfs/dbraw/zinc/97/38/69/720973869.db2.gz CFAUMNSQTUOJCX-MRXNPFEDSA-N 1 2 468.936 2.771 20 0 JFADLO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164755832 720974781 /nfs/dbraw/zinc/97/47/81/720974781.db2.gz CFAUMNSQTUOJCX-INIZCTEOSA-N 1 2 468.936 2.771 20 0 JFADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871048 721164148 /nfs/dbraw/zinc/16/41/48/721164148.db2.gz DBAZUSOWXDOFOI-FCHUYYIVSA-N 1 2 483.569 2.896 20 0 JFADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871048 721164152 /nfs/dbraw/zinc/16/41/52/721164152.db2.gz DBAZUSOWXDOFOI-FCHUYYIVSA-N 1 2 483.569 2.896 20 0 JFADLO CS(=O)(=O)c1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)cnc1Cl ZINC001164768079 721278394 /nfs/dbraw/zinc/27/83/94/721278394.db2.gz JLPAVADBPMGXEX-AWEZNQCLSA-N 1 2 483.928 2.990 20 0 JFADLO O=C1CO[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]2N1c1cccc(F)c1 ZINC001164885119 721363056 /nfs/dbraw/zinc/36/30/56/721363056.db2.gz WUNTZLHDUXBMIU-RPWUZVMVSA-N 1 2 459.525 2.795 20 0 JFADLO O=C1CO[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]2N1c1cccc(F)c1 ZINC001164885119 721363060 /nfs/dbraw/zinc/36/30/60/721363060.db2.gz WUNTZLHDUXBMIU-RPWUZVMVSA-N 1 2 459.525 2.795 20 0 JFADLO O=C1CO[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]2N1c1cccc(F)c1 ZINC001164885102 721363366 /nfs/dbraw/zinc/36/33/66/721363366.db2.gz WUNTZLHDUXBMIU-BJKOFHAPSA-N 1 2 459.525 2.795 20 0 JFADLO O=C1CO[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]2N1c1cccc(F)c1 ZINC001164885102 721363368 /nfs/dbraw/zinc/36/33/68/721363368.db2.gz WUNTZLHDUXBMIU-BJKOFHAPSA-N 1 2 459.525 2.795 20 0 JFADLO CC[C@@H]1C(=O)N(C)c2cnc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)nc2N1C1CCCC1 ZINC001165011474 721703975 /nfs/dbraw/zinc/70/39/75/721703975.db2.gz UAGJPGNHTVTBFC-LJQANCHMSA-N 1 2 481.649 2.823 20 0 JFADLO CC[C@@H]1C(=O)N(C)c2cnc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)nc2N1C1CCCC1 ZINC001165011474 721703979 /nfs/dbraw/zinc/70/39/79/721703979.db2.gz UAGJPGNHTVTBFC-LJQANCHMSA-N 1 2 481.649 2.823 20 0 JFADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1cc(Cl)ncc1Cl)CC2 ZINC001165014778 721765377 /nfs/dbraw/zinc/76/53/77/721765377.db2.gz IUGVMJMBDGHGLF-UHFFFAOYSA-N 1 2 470.311 2.856 20 0 JFADLO COc1ccc(C(F)(F)N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)n1 ZINC001164916371 721782139 /nfs/dbraw/zinc/78/21/39/721782139.db2.gz QDHVZVBIYMQUMF-HXUWFJFHSA-N 1 2 454.905 2.791 20 0 JFADLO COc1ccc(C(F)(F)N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)n1 ZINC001164916371 721782143 /nfs/dbraw/zinc/78/21/43/721782143.db2.gz QDHVZVBIYMQUMF-HXUWFJFHSA-N 1 2 454.905 2.791 20 0 JFADLO Fc1cccc(Oc2nc(Cl)nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)c1 ZINC001164917059 721788400 /nfs/dbraw/zinc/78/84/00/721788400.db2.gz WHFZJWPYBGNLPW-HSZRJFAPSA-N 1 2 486.935 2.959 20 0 JFADLO Fc1cccc(Oc2nc(Cl)nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)c1 ZINC001164917059 721788407 /nfs/dbraw/zinc/78/84/07/721788407.db2.gz WHFZJWPYBGNLPW-HSZRJFAPSA-N 1 2 486.935 2.959 20 0 JFADLO COC(=O)C[C@@H](c1ccnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1)C1CC1 ZINC001164913789 721793162 /nfs/dbraw/zinc/79/31/62/721793162.db2.gz HKBLJEGWMHFIAT-BVAGGSTKSA-N 1 2 466.582 2.641 20 0 JFADLO COC(=O)C[C@@H](c1ccnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1)C1CC1 ZINC001164913789 721793164 /nfs/dbraw/zinc/79/31/64/721793164.db2.gz HKBLJEGWMHFIAT-BVAGGSTKSA-N 1 2 466.582 2.641 20 0 JFADLO O=C(c1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)c1)N1CCCCC1 ZINC001164913702 721795197 /nfs/dbraw/zinc/79/51/97/721795197.db2.gz GFPUSUWXLZMMOG-RUZDIDTESA-N 1 2 486.016 2.864 20 0 JFADLO O=C(c1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)c1)N1CCCCC1 ZINC001164913702 721795201 /nfs/dbraw/zinc/79/52/01/721795201.db2.gz GFPUSUWXLZMMOG-RUZDIDTESA-N 1 2 486.016 2.864 20 0 JFADLO CC[C@H]1C(=O)N(C)c2cnc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)nc2N1C1CCCC1 ZINC001164916834 721815939 /nfs/dbraw/zinc/81/59/39/721815939.db2.gz IDORFYRKXFLECQ-FQEVSTJZSA-N 1 2 478.645 2.927 20 0 JFADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncc(C(=O)Nc3nncs3)cc2Cl)CC1 ZINC001164917833 721819965 /nfs/dbraw/zinc/81/99/65/721819965.db2.gz IXQBVFYLKHFSNO-UHFFFAOYSA-N 1 2 458.979 2.785 20 0 JFADLO CCOC(=O)c1c(C)cc(N2CCO[C@]3(C2)COCCN(Cc2csc(C)n2)C3)[nH+]c1C ZINC001164921851 721829285 /nfs/dbraw/zinc/82/92/85/721829285.db2.gz MLHONUPRYSAURC-HSZRJFAPSA-N 1 2 460.600 2.748 20 0 JFADLO O=C(c1cccnc1N1CCCn2cnc(Cn3cccn3)c2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164937335 721915541 /nfs/dbraw/zinc/91/55/41/721915541.db2.gz CDKYRSFDACGMMB-UHFFFAOYSA-N 1 2 496.619 2.891 20 0 JFADLO O=C(NCc1ccccc1)c1cccnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164946718 721970052 /nfs/dbraw/zinc/97/00/52/721970052.db2.gz VMILKINLHCUMKF-UHFFFAOYSA-N 1 2 469.589 2.983 20 0 JFADLO O=C(NCc1ccccc1)c1cccnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164946718 721970056 /nfs/dbraw/zinc/97/00/56/721970056.db2.gz VMILKINLHCUMKF-UHFFFAOYSA-N 1 2 469.589 2.983 20 0 JFADLO Cc1cc(NC(=O)c2cccnc2N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)no1 ZINC001164946796 721978335 /nfs/dbraw/zinc/97/83/35/721978335.db2.gz KZNHSKZYOSSXEQ-UHFFFAOYSA-N 1 2 460.538 2.601 20 0 JFADLO Cc1cc(NC(=O)c2cccnc2N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)no1 ZINC001164946796 721978337 /nfs/dbraw/zinc/97/83/37/721978337.db2.gz KZNHSKZYOSSXEQ-UHFFFAOYSA-N 1 2 460.538 2.601 20 0 JFADLO CCC(CC)NS(=O)(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1 ZINC001164948810 721978890 /nfs/dbraw/zinc/97/88/90/721978890.db2.gz LNOQCGQBFGEZKX-UHFFFAOYSA-N 1 2 485.654 2.520 20 0 JFADLO CCC(CC)NS(=O)(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1 ZINC001164948810 721978891 /nfs/dbraw/zinc/97/88/91/721978891.db2.gz LNOQCGQBFGEZKX-UHFFFAOYSA-N 1 2 485.654 2.520 20 0 JFADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@@H]2CCCO[C@@H]12)c1cscn1 ZINC001164949688 721999521 /nfs/dbraw/zinc/99/95/21/721999521.db2.gz FFVDVZNDODIWRN-MZYLBHOOSA-N 1 2 476.606 2.658 20 0 JFADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@@H]2CCCO[C@@H]12)c1cscn1 ZINC001164949688 721999523 /nfs/dbraw/zinc/99/95/23/721999523.db2.gz FFVDVZNDODIWRN-MZYLBHOOSA-N 1 2 476.606 2.658 20 0 JFADLO CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@@](F)(N2CC[NH+](CCc3ccccn3)CC2)C1=O ZINC001165056579 722016439 /nfs/dbraw/zinc/01/64/39/722016439.db2.gz XCVSGWGIDSXMIH-XMMPIXPASA-N 1 2 488.011 2.777 20 0 JFADLO CC(=O)N1[C@@H]2CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164969635 722080121 /nfs/dbraw/zinc/08/01/21/722080121.db2.gz LUJNOAYNYDUWLJ-JCYRPKCISA-N 1 2 471.609 2.747 20 0 JFADLO CC(=O)N1[C@@H]2CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164969635 722080122 /nfs/dbraw/zinc/08/01/22/722080122.db2.gz LUJNOAYNYDUWLJ-JCYRPKCISA-N 1 2 471.609 2.747 20 0 JFADLO COCCO[C@@H]1CCN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@H]1Cc1cnn(C)c1 ZINC001164999310 722222610 /nfs/dbraw/zinc/22/26/10/722222610.db2.gz QISNJUQSBDSWGQ-LOSJGSFVSA-N 1 2 462.598 2.621 20 0 JFADLO COCCO[C@@H]1CCN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@H]1Cc1cnn(C)c1 ZINC001164999310 722222611 /nfs/dbraw/zinc/22/26/11/722222611.db2.gz QISNJUQSBDSWGQ-LOSJGSFVSA-N 1 2 462.598 2.621 20 0 JFADLO Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)cc2)cc1 ZINC001264190556 1059534805 /nfs/dbraw/zinc/53/48/05/1059534805.db2.gz MTUSMNCWIRPHAO-GGAORHGYSA-N 1 2 474.579 2.605 20 0 JFADLO C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1=O ZINC001264343617 1059577634 /nfs/dbraw/zinc/57/76/34/1059577634.db2.gz HXLOGBOFLXLFGB-JOCHJYFZSA-N 1 2 459.909 2.558 20 0 JFADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)Nc1ccc(-n2nccn2)nc1)Cc1ccccc1 ZINC001264359966 1059585615 /nfs/dbraw/zinc/58/56/15/1059585615.db2.gz DDQLBRVDQOAQJN-UHFFFAOYSA-N 1 2 451.531 2.628 20 0 JFADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)Nc1ccc(-n2nccn2)nc1)Cc1ccccc1 ZINC001264359966 1059585637 /nfs/dbraw/zinc/58/56/37/1059585637.db2.gz DDQLBRVDQOAQJN-UHFFFAOYSA-N 1 2 451.531 2.628 20 0 JFADLO O=C(Nc1cccc(Br)c1)C1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001264886059 1059716625 /nfs/dbraw/zinc/71/66/25/1059716625.db2.gz LNBPRTPTLCOURH-UXHICEINSA-N 1 2 480.403 2.506 20 0 JFADLO CCN(C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001265367465 1059835935 /nfs/dbraw/zinc/83/59/35/1059835935.db2.gz RQSCDWRGKXAYHY-YADHBBJMSA-N 1 2 459.635 2.606 20 0 JFADLO CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CCOC[C@@H]2C)[C@H](C)C1 ZINC001286870315 1061266178 /nfs/dbraw/zinc/26/61/78/1061266178.db2.gz AIWXHDNQTSHCDT-URVUXULASA-N 1 2 484.645 2.813 20 0 JFADLO CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CCOC[C@@H]2C)[C@H](C)C1 ZINC001286870315 1061266195 /nfs/dbraw/zinc/26/61/95/1061266195.db2.gz AIWXHDNQTSHCDT-URVUXULASA-N 1 2 484.645 2.813 20 0 JFADLO CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)[C@H](C)C1 ZINC001286882114 1061308715 /nfs/dbraw/zinc/30/87/15/1061308715.db2.gz AGEMVJJJBZDGJW-VGOFRKELSA-N 1 2 483.567 2.902 20 0 JFADLO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)O[C@H](C)C3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1C ZINC001289729087 1061339296 /nfs/dbraw/zinc/33/92/96/1061339296.db2.gz LUIPAOZSLFBYPT-WOJBJXKFSA-N 1 2 470.618 2.872 20 0 JFADLO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)O[C@H](C)C3)n2CC[N@H+]2CCOC(C)(C)C2)cc1C ZINC001289729087 1061339312 /nfs/dbraw/zinc/33/93/12/1061339312.db2.gz LUIPAOZSLFBYPT-WOJBJXKFSA-N 1 2 470.618 2.872 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(C(C)C)nnc2N(C)[C@@H]2CCCN(c3ccccc3)C2)CC1 ZINC001286888779 1061343795 /nfs/dbraw/zinc/34/37/95/1061343795.db2.gz FNLXFLBADBJCRA-HSZRJFAPSA-N 1 2 453.635 2.671 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCS[C@H](C)[C@@H]2C)CC1 ZINC001286889232 1061346696 /nfs/dbraw/zinc/34/66/96/1061346696.db2.gz HIYGYDVVRYRJDS-UYWIDEMCSA-N 1 2 478.707 2.691 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3cc(C)cc(C)c3)nnc2N(C)CCC(F)F)CC1 ZINC001286889499 1061348653 /nfs/dbraw/zinc/34/86/53/1061348653.db2.gz KAABZTZCOQYVIZ-UHFFFAOYSA-N 1 2 464.561 2.729 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccc3F)nnc2N2CCS[C@H](C)[C@@H]2C)CC1 ZINC001286889938 1061350844 /nfs/dbraw/zinc/35/08/44/1061350844.db2.gz KJOSOUFWAATGJF-ZWKOTPCHSA-N 1 2 460.623 2.502 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccc3F)nnc2N2CCS[C@@H](C)[C@@H]2C)CC1 ZINC001286889773 1061350885 /nfs/dbraw/zinc/35/08/85/1061350885.db2.gz KJOSOUFWAATGJF-ROUUACIJSA-N 1 2 460.623 2.502 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(-c3ccc(C)o3)nnc2N(C)CCOc2ccccc2)CC1 ZINC001286890088 1061351777 /nfs/dbraw/zinc/35/17/77/1061351777.db2.gz NGJFQCURLSNATD-UHFFFAOYSA-N 1 2 452.559 2.526 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccc3F)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001286890477 1061354892 /nfs/dbraw/zinc/35/48/92/1061354892.db2.gz QVOFRRHVNOVPSN-UHFFFAOYSA-N 1 2 464.536 2.654 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccsc3)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001286890896 1061357059 /nfs/dbraw/zinc/35/70/59/1061357059.db2.gz UTLLNZUCFOWTIF-FQEVSTJZSA-N 1 2 462.689 2.672 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCOC3)nnc2N(C)[C@H](C)c2ccccc2F)CC1 ZINC001286890964 1061357786 /nfs/dbraw/zinc/35/77/86/1061357786.db2.gz VHGBPIZIENWRGY-QUCCMNQESA-N 1 2 458.582 2.673 20 0 JFADLO Cc1ccc(NC(=O)c2nnc(N3CCOC[C@@H]3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1C ZINC001289748119 1061367946 /nfs/dbraw/zinc/36/79/46/1061367946.db2.gz XHELZAPYKBZNSB-RBBKRZOGSA-N 1 2 470.618 2.729 20 0 JFADLO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC(C)(C)[NH+]2CCOCC2)cc1 ZINC001289755572 1061378603 /nfs/dbraw/zinc/37/86/03/1061378603.db2.gz DRNMTJHVSGMCDB-HXUWFJFHSA-N 1 2 456.591 2.624 20 0 JFADLO CC(=O)NC1CCC(N(C)c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001286904147 1061408461 /nfs/dbraw/zinc/40/84/61/1061408461.db2.gz RMOFRBLOAKSVRL-RDABAPPSSA-N 1 2 484.645 2.504 20 0 JFADLO CC(=O)NC1CCC(N(C)c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001286904147 1061408470 /nfs/dbraw/zinc/40/84/70/1061408470.db2.gz RMOFRBLOAKSVRL-RDABAPPSSA-N 1 2 484.645 2.504 20 0 JFADLO Cc1ccc(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2CCc2ccncc2)cc1C ZINC001289786630 1061412129 /nfs/dbraw/zinc/41/21/29/1061412129.db2.gz INAZEUBWQAKCBX-UHFFFAOYSA-N 1 2 450.587 2.880 20 0 JFADLO Cc1ccc(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2CCc2cccc(C)n2)cc1 ZINC001289787776 1061413559 /nfs/dbraw/zinc/41/35/59/1061413559.db2.gz PDYVVGADMZJXEQ-UHFFFAOYSA-N 1 2 450.587 2.880 20 0 JFADLO CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001286911949 1061465922 /nfs/dbraw/zinc/46/59/22/1061465922.db2.gz MCRVJLBBHYTEJG-OAQYLSRUSA-N 1 2 463.586 2.780 20 0 JFADLO Cc1ccc(OCc2nnc(N3CC[NH+]([C@@H](C)C(=O)N4CCCC4)CC3)n2C[C@@](C)(O)C(C)C)cc1 ZINC001289821883 1061484918 /nfs/dbraw/zinc/48/49/18/1061484918.db2.gz VSYSLSKAETWBED-WXVAWEFUSA-N 1 2 498.672 2.705 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)n2CC(=O)N(C)C)cc1 ZINC001289823959 1061488548 /nfs/dbraw/zinc/48/85/48/1061488548.db2.gz DLYINAAUFMNQOP-UHFFFAOYSA-N 1 2 492.628 2.802 20 0 JFADLO Cc1ccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H]2CCCCS2(=O)=O)cc1C ZINC001289825305 1061495763 /nfs/dbraw/zinc/49/57/63/1061495763.db2.gz YXNVXLQTTDJHRS-QFIPXVFZSA-N 1 2 475.659 2.972 20 0 JFADLO Cc1ccc(OCCN(C)c2nnc(Cc3ccccn3)n2C[C@H](C)[NH+]2CCOCC2)cc1 ZINC001289849713 1061522816 /nfs/dbraw/zinc/52/28/16/1061522816.db2.gz SMMGUOHZRVDVBY-NRFANRHFSA-N 1 2 450.587 2.808 20 0 JFADLO Cc1ccc(S(=O)(=O)NCCn2c(N3CCN(c4cccc[nH+]4)CC3)nnc2C(C)(C)C)s1 ZINC001289856288 1061534670 /nfs/dbraw/zinc/53/46/70/1061534670.db2.gz QAZIWSNHWBMHPL-UHFFFAOYSA-N 1 2 489.671 2.646 20 0 JFADLO CC(=O)NCC1CCN(c2nnc(CC(C)C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001286933918 1061566911 /nfs/dbraw/zinc/56/69/11/1061566911.db2.gz CYABNOWPZHKFED-DEOSSOPVSA-N 1 2 468.646 2.730 20 0 JFADLO CC(=O)NCC1CCN(c2nnc(CC(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001286933918 1061566938 /nfs/dbraw/zinc/56/69/38/1061566938.db2.gz CYABNOWPZHKFED-DEOSSOPVSA-N 1 2 468.646 2.730 20 0 JFADLO CCC[C@H]1CN(c2nnc(CC3CCCC3)n2C[C@@H]2CCCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC001294095989 1061574593 /nfs/dbraw/zinc/57/45/93/1061574593.db2.gz QBWHWERWLCYLBC-VXKWHMMOSA-N 1 2 481.707 2.773 20 0 JFADLO CCC[C@H]1CN(c2nnc(CC3CCCC3)n2C[C@@H]2CCCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC001294095989 1061574615 /nfs/dbraw/zinc/57/46/15/1061574615.db2.gz QBWHWERWLCYLBC-VXKWHMMOSA-N 1 2 481.707 2.773 20 0 JFADLO CCCCCCNC(=O)[C@H]1CCCN(c2nnc(C)n2Cc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC001294107120 1061591155 /nfs/dbraw/zinc/59/11/55/1061591155.db2.gz DMCGCIIWDUGDKV-QFIPXVFZSA-N 1 2 469.634 2.779 20 0 JFADLO O=C(CCc1nc(-c2cc(Br)cs2)no1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC001294155988 1061639954 /nfs/dbraw/zinc/63/99/54/1061639954.db2.gz JNMYSADBFRPAET-CQSZACIVSA-N 1 2 455.378 2.816 20 0 JFADLO CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C[C@H]1[C@H]1CCCO1 ZINC001294156970 1061642129 /nfs/dbraw/zinc/64/21/29/1061642129.db2.gz MIEYWWGIKXFRRD-JSXRDJHFSA-N 1 2 451.608 2.504 20 0 JFADLO Cc1cccc(-c2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2Cc2ccc(N(C)C)[nH+]c2)n1 ZINC001289978880 1061698122 /nfs/dbraw/zinc/69/81/22/1061698122.db2.gz HJAOFYWJPRQNGO-UHFFFAOYSA-N 1 2 477.617 2.788 20 0 JFADLO Cc1cccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CCS(=O)(=O)Cc2ccccc2)n1 ZINC001289981403 1061703533 /nfs/dbraw/zinc/70/35/33/1061703533.db2.gz UIVAUUUGBVJYNF-UHFFFAOYSA-N 1 2 468.627 2.794 20 0 JFADLO Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2C[C@H](C)O[C@]3(CCCOC3)C2)[nH+]1 ZINC001290002256 1061726431 /nfs/dbraw/zinc/72/64/31/1061726431.db2.gz DEWMTAXTDIXLLI-YADARESESA-N 1 2 456.591 2.527 20 0 JFADLO Cc1cccc(CCCn2c(C(=O)N3CCCC3)nnc2N2CCC(NC(=O)C(C)C)CC2)[nH+]1 ZINC001290002440 1061726501 /nfs/dbraw/zinc/72/65/01/1061726501.db2.gz DTJKPWGLAGXRSH-UHFFFAOYSA-N 1 2 467.618 2.591 20 0 JFADLO Cc1cccc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCc3ccccc3CC2)[nH+]1 ZINC001290002734 1061727856 /nfs/dbraw/zinc/72/78/56/1061727856.db2.gz IFJQNKZIZZJLON-IBGZPJMESA-N 1 2 468.627 2.830 20 0 JFADLO Cc1cccc(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)[nH+]1 ZINC001290009700 1061733817 /nfs/dbraw/zinc/73/38/17/1061733817.db2.gz PKKBPIYYZZCOJB-BHYGNILZSA-N 1 2 452.481 2.721 20 0 JFADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(C3CCC3)n2CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001286971964 1061751265 /nfs/dbraw/zinc/75/12/65/1061751265.db2.gz MHFMTSHYRKLDOP-IBGZPJMESA-N 1 2 489.665 2.545 20 0 JFADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CC(F)(F)F)CC1 ZINC001286972017 1061751524 /nfs/dbraw/zinc/75/15/24/1061751524.db2.gz DDAMXPJAARAEAO-CYBMUJFWSA-N 1 2 456.900 2.950 20 0 JFADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C(C)(C)O)cc2)CC1 ZINC001286972149 1061752342 /nfs/dbraw/zinc/75/23/42/1061752342.db2.gz OSGHORWJFZENMN-FQEVSTJZSA-N 1 2 482.673 2.984 20 0 JFADLO CCCCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@@H+]1CCOC[C@H]1C ZINC001294242772 1061752586 /nfs/dbraw/zinc/75/25/86/1061752586.db2.gz OMVQZCBPSVNHSR-GOSISDBHSA-N 1 2 453.591 2.539 20 0 JFADLO CCCCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@H+]1CCOC[C@H]1C ZINC001294242772 1061752609 /nfs/dbraw/zinc/75/26/09/1061752609.db2.gz OMVQZCBPSVNHSR-GOSISDBHSA-N 1 2 453.591 2.539 20 0 JFADLO C[NH+](C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1)c1ccc(Cl)cc1 ZINC001294243227 1061753166 /nfs/dbraw/zinc/75/31/66/1061753166.db2.gz DJHYUGQOCGZFTE-NRFANRHFSA-N 1 2 458.971 2.990 20 0 JFADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(CC3CC3)n2CC(C)(C)C(F)(F)F)CC1 ZINC001286972991 1061757828 /nfs/dbraw/zinc/75/78/28/1061757828.db2.gz YAAQLCVEVRWJOM-MRXNPFEDSA-N 1 2 456.557 2.952 20 0 JFADLO CCCCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001294254783 1061759593 /nfs/dbraw/zinc/75/95/93/1061759593.db2.gz TTXRUTIIALPKEJ-RBUKOAKNSA-N 1 2 464.636 2.516 20 0 JFADLO CCCCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001294254780 1061759628 /nfs/dbraw/zinc/75/96/28/1061759628.db2.gz TTXRUTIIALPKEJ-OALUTQOASA-N 1 2 464.636 2.516 20 0 JFADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001286974130 1061766238 /nfs/dbraw/zinc/76/62/38/1061766238.db2.gz AZLBYKWYGKXSNT-AOIWGVFYSA-N 1 2 476.672 2.886 20 0 JFADLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC001294275782 1061768620 /nfs/dbraw/zinc/76/86/20/1061768620.db2.gz FDCYDQSQGUOERI-GOSISDBHSA-N 1 2 450.967 2.551 20 0 JFADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001286974590 1061769733 /nfs/dbraw/zinc/76/97/33/1061769733.db2.gz HNIXURFQQZVNTE-MOPGFXCFSA-N 1 2 483.642 2.565 20 0 JFADLO CCCCn1c(CCOc2ccccc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001294286229 1061774560 /nfs/dbraw/zinc/77/45/60/1061774560.db2.gz AKZRPNKZJAZMIC-OAQYLSRUSA-N 1 2 454.619 2.833 20 0 JFADLO Cc1cccc(OCc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CC[N@H+]2CC=CCC2)c1 ZINC001290069185 1061793269 /nfs/dbraw/zinc/79/32/69/1061793269.db2.gz ARVCGLKMSBKLSV-JOCHJYFZSA-N 1 2 473.643 2.831 20 0 JFADLO Cc1cccc(OCc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CC[N@@H+]2CC=CCC2)c1 ZINC001290069185 1061793291 /nfs/dbraw/zinc/79/32/91/1061793291.db2.gz ARVCGLKMSBKLSV-JOCHJYFZSA-N 1 2 473.643 2.831 20 0 JFADLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001286979706 1061808785 /nfs/dbraw/zinc/80/87/85/1061808785.db2.gz ZFQSGINSSYJZHG-IRXDYDNUSA-N 1 2 474.606 2.775 20 0 JFADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001286979708 1061809277 /nfs/dbraw/zinc/80/92/77/1061809277.db2.gz ZFQSGINSSYJZHG-SJORKVTESA-N 1 2 474.606 2.775 20 0 JFADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCCO2)n1CCc1cn2ccccc2[nH+]1 ZINC001286980699 1061815412 /nfs/dbraw/zinc/81/54/12/1061815412.db2.gz LNZGBEMJWLNSLT-AOIWGVFYSA-N 1 2 460.604 2.668 20 0 JFADLO Cc1ccccc1-c1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1CCCNc1cccc[nH+]1 ZINC001290123374 1061852638 /nfs/dbraw/zinc/85/26/38/1061852638.db2.gz BKGHYDISJWPZFW-HXUWFJFHSA-N 1 2 483.642 2.916 20 0 JFADLO Cc1ccccc1-c1nnc(N2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)n1CCC(=O)NC(C)C ZINC001290128707 1061860829 /nfs/dbraw/zinc/86/08/29/1061860829.db2.gz GGXJPJZZHXBLEC-NRFANRHFSA-N 1 2 495.672 2.738 20 0 JFADLO Cc1ccccc1[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CCO1 ZINC001290145063 1061882843 /nfs/dbraw/zinc/88/28/43/1061882843.db2.gz JVEUNEROIQKUIP-GOTSBHOMSA-N 1 2 484.645 2.659 20 0 JFADLO CC(C)(C)Cc1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1CCCNc1cccc[nH+]1 ZINC001287030776 1061982082 /nfs/dbraw/zinc/98/20/82/1061982082.db2.gz VBHXFQDMDKTPBB-SFHVURJKSA-N 1 2 463.652 2.530 20 0 JFADLO CCN(C[C@@H]1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)C1)CC(F)(F)F ZINC001294436041 1061989727 /nfs/dbraw/zinc/98/97/27/1061989727.db2.gz AARBATNQXPGOKN-LPHOPBHVSA-N 1 2 457.541 2.750 20 0 JFADLO CCN(C[C@@H]1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C1)CC(F)(F)F ZINC001294436041 1061989754 /nfs/dbraw/zinc/98/97/54/1061989754.db2.gz AARBATNQXPGOKN-LPHOPBHVSA-N 1 2 457.541 2.750 20 0 JFADLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)CC1 ZINC001290267804 1061998369 /nfs/dbraw/zinc/99/83/69/1061998369.db2.gz SEZXGFNTMKPELT-RUZDIDTESA-N 1 2 456.587 2.539 20 0 JFADLO CC(C)(C)Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001287036880 1062003356 /nfs/dbraw/zinc/00/33/56/1062003356.db2.gz YLYMJIVMTQWJHV-UHFFFAOYSA-N 1 2 489.690 2.772 20 0 JFADLO CC(C)(C)[NH+]1CCN(c2nnc(Cc3ccsc3)n2CCS(=O)(=O)CC2CC2)CC1 ZINC001287043492 1062015212 /nfs/dbraw/zinc/01/52/12/1062015212.db2.gz FMAIKBMOYLJXAE-UHFFFAOYSA-N 1 2 451.662 2.676 20 0 JFADLO CCCN(CCC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001294564517 1062081703 /nfs/dbraw/zinc/08/17/03/1062081703.db2.gz LWQOREFQVHLPBB-VQTJNVASSA-N 1 2 480.654 2.934 20 0 JFADLO CCCN(CCC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001294564517 1062081726 /nfs/dbraw/zinc/08/17/26/1062081726.db2.gz LWQOREFQVHLPBB-VQTJNVASSA-N 1 2 480.654 2.934 20 0 JFADLO CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNc2cccc[nH+]2)C1 ZINC001287057802 1062082990 /nfs/dbraw/zinc/08/29/90/1062082990.db2.gz RHPVJFNFNMGVPW-ZWKOTPCHSA-N 1 2 484.605 2.620 20 0 JFADLO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNc2cccc[nH+]2)C1 ZINC001287057799 1062083063 /nfs/dbraw/zinc/08/30/63/1062083063.db2.gz RHPVJFNFNMGVPW-MSOLQXFVSA-N 1 2 484.605 2.620 20 0 JFADLO C[N@@H+]1CCN(C(=O)[C@@H]2CC(c3cccc(Cl)c3F)=NO2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001294573390 1062086907 /nfs/dbraw/zinc/08/69/07/1062086907.db2.gz PVSUSPRJIHMASS-GUYCJALGSA-N 1 2 454.930 2.639 20 0 JFADLO C[N@H+]1CCN(C(=O)[C@@H]2CC(c3cccc(Cl)c3F)=NO2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001294573390 1062086934 /nfs/dbraw/zinc/08/69/34/1062086934.db2.gz PVSUSPRJIHMASS-GUYCJALGSA-N 1 2 454.930 2.639 20 0 JFADLO Cc1nc(SC(F)F)sc1CC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001294573372 1062087068 /nfs/dbraw/zinc/08/70/68/1062087068.db2.gz PKODFUMBXUXUHI-LBPRGKRZSA-N 1 2 450.577 2.976 20 0 JFADLO Cc1nc(SC(F)F)sc1CC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001294573372 1062087089 /nfs/dbraw/zinc/08/70/89/1062087089.db2.gz PKODFUMBXUXUHI-LBPRGKRZSA-N 1 2 450.577 2.976 20 0 JFADLO C[N@@H+]1CCN(C(=O)C2(c3cncc(Br)c3)CC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001294573993 1062087578 /nfs/dbraw/zinc/08/75/78/1062087578.db2.gz UQISFHLOSRTZFQ-INIZCTEOSA-N 1 2 453.381 2.543 20 0 JFADLO C[N@H+]1CCN(C(=O)C2(c3cncc(Br)c3)CC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001294573993 1062087597 /nfs/dbraw/zinc/08/75/97/1062087597.db2.gz UQISFHLOSRTZFQ-INIZCTEOSA-N 1 2 453.381 2.543 20 0 JFADLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H](C)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1 ZINC001290408411 1062121118 /nfs/dbraw/zinc/12/11/18/1062121118.db2.gz LTPDKUTVVABGPB-IBGZPJMESA-N 1 2 459.612 2.784 20 0 JFADLO Cc1nc(Cc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)cs1 ZINC001290425523 1062174136 /nfs/dbraw/zinc/17/41/36/1062174136.db2.gz YWPUUPPFRAZSGK-BEFAXECRSA-N 1 2 489.596 2.917 20 0 JFADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)CCCC3)C1 ZINC001294661165 1062211759 /nfs/dbraw/zinc/21/17/59/1062211759.db2.gz XJJGGNLDYPDANT-IBGZPJMESA-N 1 2 458.628 2.839 20 0 JFADLO Cc1nc(Cc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CC[N@@H+]2CCOC[C@@H]2C)cs1 ZINC001290442162 1062215635 /nfs/dbraw/zinc/21/56/35/1062215635.db2.gz TWAMQBOZDLVYAA-JKIFEVAISA-N 1 2 458.554 2.989 20 0 JFADLO Cc1nc(Cc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CC[N@H+]2CCOC[C@@H]2C)cs1 ZINC001290442162 1062215656 /nfs/dbraw/zinc/21/56/56/1062215656.db2.gz TWAMQBOZDLVYAA-JKIFEVAISA-N 1 2 458.554 2.989 20 0 JFADLO Cc1nc(CCn2c(C(C)C)nnc2N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)cs1 ZINC001290447863 1062224572 /nfs/dbraw/zinc/22/45/72/1062224572.db2.gz LVUIWUCYGLHHEF-NRFANRHFSA-N 1 2 461.680 2.640 20 0 JFADLO CC(C)(C)Oc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)(C)C)CC2)cn1 ZINC001287076682 1062228245 /nfs/dbraw/zinc/22/82/45/1062228245.db2.gz WPFXPRMYGZNIOR-IBGZPJMESA-N 1 2 490.674 2.721 20 0 JFADLO CC(C)(C)S(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001287084477 1062251719 /nfs/dbraw/zinc/25/17/19/1062251719.db2.gz QEQZANXOPYZCAE-GOSISDBHSA-N 1 2 479.622 2.884 20 0 JFADLO CC(C)(C)S(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001287084477 1062251722 /nfs/dbraw/zinc/25/17/22/1062251722.db2.gz QEQZANXOPYZCAE-GOSISDBHSA-N 1 2 479.622 2.884 20 0 JFADLO CC(C)(C)[S@](=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001287084764 1062254372 /nfs/dbraw/zinc/25/43/72/1062254372.db2.gz APXJDFLSCDANAI-RDIOQJBUSA-N 1 2 489.686 2.923 20 0 JFADLO CC(C)(C)[S@](=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001287086343 1062262737 /nfs/dbraw/zinc/26/27/37/1062262737.db2.gz JJJPDURFIACLQP-FZYZMVIOSA-N 1 2 465.689 2.636 20 0 JFADLO CC(C)(C)[S@](=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001287087997 1062268299 /nfs/dbraw/zinc/26/82/99/1062268299.db2.gz MXPCNEDGMBXDRY-JGCGQSQUSA-N 1 2 453.616 2.533 20 0 JFADLO CC(C)(C)[S@](=O)CCn1c(C2CCC2)nnc1N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC001287090540 1062282669 /nfs/dbraw/zinc/28/26/69/1062282669.db2.gz XUNLEPNNGBNSHC-ZCWHBTPQSA-N 1 2 489.686 2.655 20 0 JFADLO Cc1nc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)c3ccc(F)cc3)CC2)cc[nH+]1 ZINC001290497046 1062288258 /nfs/dbraw/zinc/28/82/58/1062288258.db2.gz UAQHWWAGPCXEMU-QGZVFWFLSA-N 1 2 466.565 2.784 20 0 JFADLO Cc1ncc(CN2CCN(c3nnc(C(C)(C)C)n3CC[N@@H+]3CCOCC3(C)C)CC2)s1 ZINC001290497480 1062288774 /nfs/dbraw/zinc/28/87/74/1062288774.db2.gz HNXZXPQIHWPYAF-UHFFFAOYSA-N 1 2 461.680 2.774 20 0 JFADLO Cc1ncc(CN2CCN(c3nnc(C(C)(C)C)n3CC[N@H+]3CCOCC3(C)C)CC2)s1 ZINC001290497480 1062288791 /nfs/dbraw/zinc/28/87/91/1062288791.db2.gz HNXZXPQIHWPYAF-UHFFFAOYSA-N 1 2 461.680 2.774 20 0 JFADLO Cc1ncc(C[NH+]2CCN(c3nnc([C@]4(OC(C)C)CCOC4)n3C[C@](C)(O)C(C)C)CC2)s1 ZINC001290497850 1062289792 /nfs/dbraw/zinc/28/97/92/1062289792.db2.gz OBUMEPNBKBHSBV-ZEQRLZLVSA-N 1 2 492.690 2.813 20 0 JFADLO Cc1nc(N2CCN(c3nnc(CNC(=O)c4cccs4)n3CCC(C)C)CC2)cc[nH+]1 ZINC001290500674 1062291946 /nfs/dbraw/zinc/29/19/46/1062291946.db2.gz DLPOZYCRZZPSBJ-UHFFFAOYSA-N 1 2 454.604 2.741 20 0 JFADLO Cc1nc(N2CCN(c3nnc([C@@H]4CCCOC4)n3CCSCC(F)(F)F)CC2)cc[nH+]1 ZINC001290502089 1062297356 /nfs/dbraw/zinc/29/73/56/1062297356.db2.gz WVJQRMIDABMEGA-MRXNPFEDSA-N 1 2 471.553 2.893 20 0 JFADLO Cc1ccccc1-c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CCCNC(=O)C(C)C ZINC001290502235 1062297400 /nfs/dbraw/zinc/29/74/00/1062297400.db2.gz ZBHMKBIUVAGRFA-UHFFFAOYSA-N 1 2 462.602 2.841 20 0 JFADLO CC(C)C(=O)N[C@H]1CCCN(c2nnc(CCCc3ccccc3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001287119393 1062358846 /nfs/dbraw/zinc/35/88/46/1062358846.db2.gz JOALAFNKLGIIAL-UPVQGACJSA-N 1 2 482.673 2.915 20 0 JFADLO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(CCCc3ccccc3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001287119392 1062359078 /nfs/dbraw/zinc/35/90/78/1062359078.db2.gz JOALAFNKLGIIAL-LADGPHEKSA-N 1 2 482.673 2.915 20 0 JFADLO CC(C)C(=O)NC1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC001287120898 1062365283 /nfs/dbraw/zinc/36/52/83/1062365283.db2.gz SFKZEYYPOBNRBQ-UHFFFAOYSA-N 1 2 469.634 2.597 20 0 JFADLO CC(C)C(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001287126523 1062392394 /nfs/dbraw/zinc/39/23/94/1062392394.db2.gz ULKHFXHTSXMFFE-CTNGQTDRSA-N 1 2 469.634 2.670 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)NC(C)(C)C)n2Cc2ccccc2-n2cc[nH+]c2)n1 ZINC001290589609 1062401440 /nfs/dbraw/zinc/40/14/40/1062401440.db2.gz GYYZKDFDWQPVCP-UHFFFAOYSA-N 1 2 475.601 2.725 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N(C)CC[NH+]3CCOCC3)n2Cc2ccc(OC(C)(C)C)nc2)n1 ZINC001290612569 1062457834 /nfs/dbraw/zinc/45/78/34/1062457834.db2.gz NTXVTIZTSABSMB-UHFFFAOYSA-N 1 2 482.633 2.529 20 0 JFADLO CCCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCNc2cccc[nH+]2)CC1 ZINC001294828417 1062515272 /nfs/dbraw/zinc/51/52/72/1062515272.db2.gz KZONHIKTLFDVMT-HXUWFJFHSA-N 1 2 455.607 2.812 20 0 JFADLO CCCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001294835048 1062526482 /nfs/dbraw/zinc/52/64/82/1062526482.db2.gz XJDYFCHLZYJXSI-QFIPXVFZSA-N 1 2 498.672 2.937 20 0 JFADLO CCCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001294835048 1062526499 /nfs/dbraw/zinc/52/64/99/1062526499.db2.gz XJDYFCHLZYJXSI-QFIPXVFZSA-N 1 2 498.672 2.937 20 0 JFADLO CCCNC(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC001294861443 1062568191 /nfs/dbraw/zinc/56/81/91/1062568191.db2.gz LHGDCVRKDACHMP-JOCHJYFZSA-N 1 2 488.608 2.906 20 0 JFADLO CCCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001294875999 1062587556 /nfs/dbraw/zinc/58/75/56/1062587556.db2.gz KZLPYXPKXUWSJK-HXUWFJFHSA-N 1 2 492.628 2.986 20 0 JFADLO CC(C)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001287202161 1062643864 /nfs/dbraw/zinc/64/38/64/1062643864.db2.gz RHZQLBTUMXHGAE-UHFFFAOYSA-N 1 2 454.497 2.575 20 0 JFADLO Cc1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001290714071 1062646385 /nfs/dbraw/zinc/64/63/85/1062646385.db2.gz SSRGTIYARYLEQA-OALUTQOASA-N 1 2 484.617 2.514 20 0 JFADLO CN(CCCn1cc[nH+]c1)C(=O)[C@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 ZINC001294916789 1062678120 /nfs/dbraw/zinc/67/81/20/1062678120.db2.gz XTSCTWPINGAHFJ-QGZVFWFLSA-N 1 2 456.406 2.788 20 0 JFADLO CC(C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@](C)(O)c1cccs1 ZINC001287215654 1062686168 /nfs/dbraw/zinc/68/61/68/1062686168.db2.gz IKLUZWTYZUESNB-JPYJTQIMSA-N 1 2 460.648 2.504 20 0 JFADLO Cc1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001290770453 1062687415 /nfs/dbraw/zinc/68/74/15/1062687415.db2.gz PDEAOEXUMQATJJ-UHFFFAOYSA-N 1 2 461.492 2.775 20 0 JFADLO CCOCCn1cc(C(=O)N2CC[NH+](CCCc3nc(-c4ccc(C)cc4)no3)CC2)cn1 ZINC001290777025 1062690940 /nfs/dbraw/zinc/69/09/40/1062690940.db2.gz DJPMGXANTPJUPX-UHFFFAOYSA-N 1 2 452.559 2.669 20 0 JFADLO CC(C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001287216163 1062691611 /nfs/dbraw/zinc/69/16/11/1062691611.db2.gz NUOSVDKWTHMSJJ-HXUWFJFHSA-N 1 2 496.660 2.676 20 0 JFADLO CC(C)c1nnc(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001287219943 1062702794 /nfs/dbraw/zinc/70/27/94/1062702794.db2.gz PJOPHFRHIZYAAN-UHFFFAOYSA-N 1 2 482.677 2.824 20 0 JFADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc(NC(=O)[C@H](C)n2cccn2)c1 ZINC001290811808 1062711790 /nfs/dbraw/zinc/71/17/90/1062711790.db2.gz RIAQZITZLJPITA-JXFKEZNVSA-N 1 2 451.531 2.518 20 0 JFADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(NC(=O)[C@H](C)n2cccn2)c1 ZINC001290811808 1062711813 /nfs/dbraw/zinc/71/18/13/1062711813.db2.gz RIAQZITZLJPITA-JXFKEZNVSA-N 1 2 451.531 2.518 20 0 JFADLO Cc1nnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001290856309 1062739431 /nfs/dbraw/zinc/73/94/31/1062739431.db2.gz DZDPOOPWRMIKSZ-VGSWGCGISA-N 1 2 489.615 2.737 20 0 JFADLO Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCc1ccccc1OC(F)F ZINC001290858940 1062742925 /nfs/dbraw/zinc/74/29/25/1062742925.db2.gz XRBVZKZUJQOXRK-KRWDZBQOSA-N 1 2 462.545 2.564 20 0 JFADLO CC(C)NC(=O)Nc1ccc(CNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)cc1 ZINC001290936676 1062812206 /nfs/dbraw/zinc/81/22/06/1062812206.db2.gz RIZYRTDQNSMANX-NRFANRHFSA-N 1 2 454.575 2.864 20 0 JFADLO CC(C)NC(=O)Nc1ccc(CNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)cc1 ZINC001290936676 1062812227 /nfs/dbraw/zinc/81/22/27/1062812227.db2.gz RIZYRTDQNSMANX-NRFANRHFSA-N 1 2 454.575 2.864 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc(-c4ccccc4)n3CCC(=O)NC(C)(C)C)CC2)on1 ZINC001290969350 1062842006 /nfs/dbraw/zinc/84/20/06/1062842006.db2.gz BLMUCVOMZGKFRH-UHFFFAOYSA-N 1 2 451.575 2.869 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc([C@H]4CCCOC4)n3CCCOC(F)(F)F)CC2)on1 ZINC001290969390 1062842685 /nfs/dbraw/zinc/84/26/85/1062842685.db2.gz CWCABOBGRRHZEU-INIZCTEOSA-N 1 2 458.485 2.717 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc(CC4CCCC4)n3CCCNC(=O)C(C)C)CC2)on1 ZINC001290969541 1062842763 /nfs/dbraw/zinc/84/27/63/1062842763.db2.gz GPQUTFUHVGRQFX-UHFFFAOYSA-N 1 2 457.623 2.792 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3CC(=O)NC3CCCCC3)CC2)on1 ZINC001290970466 1062845339 /nfs/dbraw/zinc/84/53/39/1062845339.db2.gz SEPLOXMNCLMGKW-UHFFFAOYSA-N 1 2 457.623 2.934 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc(CC4CC4)n3CCN(C)C(=O)OC(C)(C)C)CC2)on1 ZINC001290970835 1062845941 /nfs/dbraw/zinc/84/59/41/1062845941.db2.gz WNXSGZWGGIMRKO-UHFFFAOYSA-N 1 2 459.595 2.716 20 0 JFADLO CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC001287403289 1062846085 /nfs/dbraw/zinc/84/60/85/1062846085.db2.gz FXPKVZITXJGAHN-HXUWFJFHSA-N 1 2 454.596 2.955 20 0 JFADLO C[C@@H](C(=O)N1CCN(Cc2cccc(Cl)c2)C(=O)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001295049761 1062853740 /nfs/dbraw/zinc/85/37/40/1062853740.db2.gz LJCKOYGCOFXQJB-SFHVURJKSA-N 1 2 458.965 2.861 20 0 JFADLO CC(C)Cc1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001287464659 1062909154 /nfs/dbraw/zinc/90/91/54/1062909154.db2.gz ROGXCNXQXQINIG-NRFANRHFSA-N 1 2 460.667 2.816 20 0 JFADLO CC(C)Cc1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1CCCNc1cccc[nH+]1 ZINC001287465332 1062910949 /nfs/dbraw/zinc/91/09/49/1062910949.db2.gz KXBZBHWZJDUBBY-NRFANRHFSA-N 1 2 468.650 2.507 20 0 JFADLO CC(C)Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@H]1CCO[C@@H]1C(C)C ZINC001287465525 1062912101 /nfs/dbraw/zinc/91/21/01/1062912101.db2.gz MFFIZBHHUZFFAT-MQSCRBSSSA-N 1 2 460.667 2.671 20 0 JFADLO CC(C)Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@](C)(O)c1ccccc1 ZINC001287465819 1062913361 /nfs/dbraw/zinc/91/33/61/1062913361.db2.gz PRSKWRSENSETBT-LVXARBLLSA-N 1 2 468.646 2.517 20 0 JFADLO CC(C)Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1cccc(C(C)(C)O)c1 ZINC001287466054 1062914333 /nfs/dbraw/zinc/91/43/33/1062914333.db2.gz URQALNQITAFYOQ-OAQYLSRUSA-N 1 2 482.673 2.885 20 0 JFADLO CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CC[N@@H+]1CCOCC1(C)C ZINC001295110796 1062934878 /nfs/dbraw/zinc/93/48/78/1062934878.db2.gz OPMQVKRPHJCPHI-UHFFFAOYSA-N 1 2 453.591 2.803 20 0 JFADLO CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CC[N@H+]1CCOCC1(C)C ZINC001295110796 1062934895 /nfs/dbraw/zinc/93/48/95/1062934895.db2.gz OPMQVKRPHJCPHI-UHFFFAOYSA-N 1 2 453.591 2.803 20 0 JFADLO CC(C)NC(=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001291041886 1062970348 /nfs/dbraw/zinc/97/03/48/1062970348.db2.gz HOFGVJZIFGVDCG-SJBKTWHCSA-N 1 2 454.619 2.942 20 0 JFADLO CC(C)NC(=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001291041886 1062970376 /nfs/dbraw/zinc/97/03/76/1062970376.db2.gz HOFGVJZIFGVDCG-SJBKTWHCSA-N 1 2 454.619 2.942 20 0 JFADLO CC(C)CCCn1c(Cc2ccncc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001287565608 1062987111 /nfs/dbraw/zinc/98/71/11/1062987111.db2.gz LJYJSPJSYBNBNP-OAQYLSRUSA-N 1 2 453.635 2.833 20 0 JFADLO CC(C)CCCn1c(Cc2ccncc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001287565606 1062987259 /nfs/dbraw/zinc/98/72/59/1062987259.db2.gz LJYJSPJSYBNBNP-NRFANRHFSA-N 1 2 453.635 2.833 20 0 JFADLO CC(C)CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001287586936 1062996419 /nfs/dbraw/zinc/99/64/19/1062996419.db2.gz MBBWHUQPMZCCFZ-VQTJNVASSA-N 1 2 480.654 2.790 20 0 JFADLO CCN(c1nnc(-c2ccccc2F)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295180993 1063004286 /nfs/dbraw/zinc/00/42/86/1063004286.db2.gz UXGODDUKSSCYRE-CEXWTWQISA-N 1 2 479.622 2.597 20 0 JFADLO CCN(c1nnc(-c2ccccc2F)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295180993 1063004310 /nfs/dbraw/zinc/00/43/10/1063004310.db2.gz UXGODDUKSSCYRE-CEXWTWQISA-N 1 2 479.622 2.597 20 0 JFADLO CCN(c1nnc(-c2cccn2C)n1C[C@@H](c1ccsc1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295185443 1063008952 /nfs/dbraw/zinc/00/89/52/1063008952.db2.gz UJGMEIUHRGFDLV-MJGOQNOKSA-N 1 2 462.645 2.661 20 0 JFADLO CC(C)C(=O)NCCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CC[NH+]1CCOCC1 ZINC001291065350 1063009927 /nfs/dbraw/zinc/00/99/27/1063009927.db2.gz ZTWMRVORUAJANL-GOSISDBHSA-N 1 2 474.675 2.672 20 0 JFADLO CC(C)CCOCCCn1c(C(C)C)nnc1N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001287646705 1063021427 /nfs/dbraw/zinc/02/14/27/1063021427.db2.gz QFPJDRSWSPWESS-UHFFFAOYSA-N 1 2 455.611 2.858 20 0 JFADLO CC(C)NC(=O)c1nnc(N2CCCC[C@@H](C)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001291090511 1063049660 /nfs/dbraw/zinc/04/96/60/1063049660.db2.gz XNMBMAIJCGXJSU-IRLDBZIGSA-N 1 2 454.619 2.944 20 0 JFADLO CC(C)NC(=O)c1nnc(N2CCCC[C@@H](C)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001291090511 1063049679 /nfs/dbraw/zinc/04/96/79/1063049679.db2.gz XNMBMAIJCGXJSU-IRLDBZIGSA-N 1 2 454.619 2.944 20 0 JFADLO C[C@@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC001291093652 1063051654 /nfs/dbraw/zinc/05/16/54/1063051654.db2.gz BWBAZTXRXOKRSP-HKBOAZHASA-N 1 2 492.665 2.934 20 0 JFADLO CC(C)C[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC(C)C)cc2)CC1 ZINC001287768785 1063094489 /nfs/dbraw/zinc/09/44/89/1063094489.db2.gz KHENQKRTDLSUGT-NRFANRHFSA-N 1 2 475.659 2.794 20 0 JFADLO CC(C)C[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CCS(=O)(=O)c2ccccc2)CC1 ZINC001287771093 1063098889 /nfs/dbraw/zinc/09/88/89/1063098889.db2.gz SZBFHSQCIWWICG-OAQYLSRUSA-N 1 2 461.632 2.772 20 0 JFADLO CCN(CC(C)C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001295275801 1063117926 /nfs/dbraw/zinc/11/79/26/1063117926.db2.gz GXIFIXKLNZETRN-UHFFFAOYSA-N 1 2 464.574 2.688 20 0 JFADLO CCN(CC)C(=O)CCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001295326185 1063213356 /nfs/dbraw/zinc/21/33/56/1063213356.db2.gz YUFHMIKBBQCHPS-UHFFFAOYSA-N 1 2 497.673 2.707 20 0 JFADLO CC(C)NC(=O)CN(C)c1nnc(-c2cccnc2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001291146154 1063230411 /nfs/dbraw/zinc/23/04/11/1063230411.db2.gz YDOUEVFQISYEIS-UHFFFAOYSA-N 1 2 462.602 2.981 20 0 JFADLO C[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccc(N(C)C)[nH+]c2)[C@H]1C ZINC001291151146 1063239577 /nfs/dbraw/zinc/23/95/77/1063239577.db2.gz PCBHUDYWVGLKOG-ROUUACIJSA-N 1 2 483.642 2.939 20 0 JFADLO C[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccc(N(C)C)[nH+]c2)[C@H]1C ZINC001291151144 1063239707 /nfs/dbraw/zinc/23/97/07/1063239707.db2.gz PCBHUDYWVGLKOG-MSOLQXFVSA-N 1 2 483.642 2.939 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCOC2)CC1 ZINC001295335160 1063250444 /nfs/dbraw/zinc/25/04/44/1063250444.db2.gz MTHXZBBXJOGHNQ-SFHVURJKSA-N 1 2 461.010 2.625 20 0 JFADLO C[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001291165704 1063250471 /nfs/dbraw/zinc/25/04/71/1063250471.db2.gz PAZRAGSTSGYKLZ-RBUKOAKNSA-N 1 2 462.639 2.960 20 0 JFADLO C[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001291165704 1063250497 /nfs/dbraw/zinc/25/04/97/1063250497.db2.gz PAZRAGSTSGYKLZ-RBUKOAKNSA-N 1 2 462.639 2.960 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CC[C@@](C)(O)c2ccccc2)CC1 ZINC001295336708 1063260383 /nfs/dbraw/zinc/26/03/83/1063260383.db2.gz WMNWDCXOOYWUQX-AREMUKBSSA-N 1 2 479.629 2.561 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(OC)cc2F)CC1 ZINC001295337164 1063262366 /nfs/dbraw/zinc/26/23/66/1063262366.db2.gz DCQRSECOQNLQQF-UHFFFAOYSA-N 1 2 495.603 2.835 20 0 JFADLO C[C@H]1CN(c2ccc(Cn3c(N(C)CC(=O)NC(C)(C)C)nnc3C(C)(C)C)c[nH+]2)CCO1 ZINC001291194852 1063330222 /nfs/dbraw/zinc/33/02/22/1063330222.db2.gz GFZWSUCGDRWTHA-KRWDZBQOSA-N 1 2 457.623 2.595 20 0 JFADLO CC(C)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001291194953 1063331374 /nfs/dbraw/zinc/33/13/74/1063331374.db2.gz HQBNFKGDLRLPNC-LJQANCHMSA-N 1 2 469.634 2.765 20 0 JFADLO C[C@H]1CN(c2ccc(Cn3c(C(=O)N4CCCC4)nnc3N(C)CC(C)(C)C)c[nH+]2)CCO1 ZINC001291195029 1063331917 /nfs/dbraw/zinc/33/19/17/1063331917.db2.gz IRJJPTYCKZBGFK-SFHVURJKSA-N 1 2 455.607 2.665 20 0 JFADLO CC(C)NC(=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001291196382 1063338530 /nfs/dbraw/zinc/33/85/30/1063338530.db2.gz KNIQMBVKAXGWKX-GOSISDBHSA-N 1 2 455.607 2.569 20 0 JFADLO COC(=O)Cc1c2ccccc2[nH]c1C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC001295387654 1063364840 /nfs/dbraw/zinc/36/48/40/1063364840.db2.gz ZDXPIBKTBJLLAL-UHFFFAOYSA-N 1 2 451.523 2.729 20 0 JFADLO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1CCc1cn2ccccc2[nH+]1 ZINC001291207560 1063376290 /nfs/dbraw/zinc/37/62/90/1063376290.db2.gz LYOJOOFLTVXNAT-IRXDYDNUSA-N 1 2 459.620 2.651 20 0 JFADLO CCN(CC)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CC2CCOCC2)c[nH+]1 ZINC001295406463 1063396403 /nfs/dbraw/zinc/39/64/03/1063396403.db2.gz XHYZINMAJSWGSP-UHFFFAOYSA-N 1 2 455.607 2.666 20 0 JFADLO CCN(CC)c1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCCO[C@@H](C)C2)c[nH+]1 ZINC001295409577 1063404207 /nfs/dbraw/zinc/40/42/07/1063404207.db2.gz FGXIGOPXMNLCMU-SFHVURJKSA-N 1 2 464.574 2.830 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C)CC2)c[nH+]1 ZINC001295410964 1063405410 /nfs/dbraw/zinc/40/54/10/1063405410.db2.gz PMSWZVSWQVOLEI-QZTJIDSGSA-N 1 2 463.652 2.804 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCNC(=O)C2)c[nH+]1 ZINC001295411625 1063409014 /nfs/dbraw/zinc/40/90/14/1063409014.db2.gz VZBWSMXYODDDTI-QGZVFWFLSA-N 1 2 467.549 2.783 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCc3ccccc32)c[nH+]1 ZINC001295411913 1063410311 /nfs/dbraw/zinc/41/03/11/1063410311.db2.gz YTEGMYKNJDSGEH-KRWDZBQOSA-N 1 2 469.615 2.872 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3cccnc3)nnc2N(C)CC(=O)NC(C)(C)C)c[nH+]1 ZINC001295412956 1063411203 /nfs/dbraw/zinc/41/12/03/1063411203.db2.gz IXEBGOOCXFVOEZ-UHFFFAOYSA-N 1 2 450.591 2.981 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3cccc(OC)c3)nnc2N2CCN(C)C(=O)[C@@H]2C)c[nH+]1 ZINC001295412977 1063411351 /nfs/dbraw/zinc/41/13/51/1063411351.db2.gz JDHWXGCHPKDJOI-SFHVURJKSA-N 1 2 463.586 2.910 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3ccccc3OC)nnc2N2CC[C@@](C)(C(N)=O)C2)c[nH+]1 ZINC001295412983 1063412294 /nfs/dbraw/zinc/41/22/94/1063412294.db2.gz JGGNKZYYLWPLQK-RUZDIDTESA-N 1 2 463.586 2.945 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCC[C@@H](C(N)=O)C2)c[nH+]1 ZINC001295414185 1063415932 /nfs/dbraw/zinc/41/59/32/1063415932.db2.gz WWGVBMMFUQVOPQ-HXUWFJFHSA-N 1 2 493.612 2.954 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)c[nH+]1 ZINC001295414193 1063416671 /nfs/dbraw/zinc/41/66/71/1063416671.db2.gz XFHYAEQWYGGNAH-SFHVURJKSA-N 1 2 490.033 2.906 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCN(C)C(=O)[C@@H]2C)c[nH+]1 ZINC001295414199 1063416855 /nfs/dbraw/zinc/41/68/55/1063416855.db2.gz XKTIJNFJNRVHAF-SFHVURJKSA-N 1 2 493.612 2.919 20 0 JFADLO CCN(CC)c1ccc(Cn2c(C3CCCC3)nnc2N2CCC(CNS(C)(=O)=O)CC2)c[nH+]1 ZINC001295414564 1063418059 /nfs/dbraw/zinc/41/80/59/1063418059.db2.gz JIXQFCZLGNSZRU-UHFFFAOYSA-N 1 2 489.690 2.991 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](C(C)C)C2)c[nH+]1 ZINC001295418778 1063427222 /nfs/dbraw/zinc/42/72/22/1063427222.db2.gz FZQRTUSDFCVHTD-VQTJNVASSA-N 1 2 460.648 2.952 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](C(C)C)C2)c[nH+]1 ZINC001295418775 1063427311 /nfs/dbraw/zinc/42/73/11/1063427311.db2.gz FZQRTUSDFCVHTD-UXHICEINSA-N 1 2 460.648 2.952 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)S[C@@H](C)C2)c[nH+]1 ZINC001295419839 1063430520 /nfs/dbraw/zinc/43/05/20/1063430520.db2.gz JUVWYBGSYBMZHK-ZIFCJYIRSA-N 1 2 478.688 2.800 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@H](C)C[C@@H](C)C2)c[nH+]1 ZINC001295420728 1063435784 /nfs/dbraw/zinc/43/57/84/1063435784.db2.gz XKQPWIMBGLRVMU-QWFCFKBJSA-N 1 2 460.648 2.952 20 0 JFADLO CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001295421405 1063436821 /nfs/dbraw/zinc/43/68/21/1063436821.db2.gz UJTIJMSIXFZONL-UHFFFAOYSA-N 1 2 484.004 2.988 20 0 JFADLO CCCOc1c(Br)cc(C(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)cc1OC ZINC001295426390 1063439561 /nfs/dbraw/zinc/43/95/61/1063439561.db2.gz CAWYDEOQTFZOBD-MRXNPFEDSA-N 1 2 455.349 2.756 20 0 JFADLO O=C(CN1CCN(C(=O)OCc2ccccc2)CC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC001295500509 1063533799 /nfs/dbraw/zinc/53/37/99/1063533799.db2.gz ANGIPCJCVIGYMJ-UHFFFAOYSA-N 1 2 453.587 2.856 20 0 JFADLO C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC001291277411 1063590521 /nfs/dbraw/zinc/59/05/21/1063590521.db2.gz CIVXVHPTGONKNN-OKZBNKHCSA-N 1 2 494.434 2.954 20 0 JFADLO C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC001291277411 1063590527 /nfs/dbraw/zinc/59/05/27/1063590527.db2.gz CIVXVHPTGONKNN-OKZBNKHCSA-N 1 2 494.434 2.954 20 0 JFADLO C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC[N@@H+]2CCOCC2(C)C)C[C@H]1NC(=O)OC(C)(C)C ZINC001291286988 1063635567 /nfs/dbraw/zinc/63/55/67/1063635567.db2.gz SCQCQDUEXWBHLI-GUDVDZBRSA-N 1 2 478.638 2.590 20 0 JFADLO C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC[N@H+]2CCOCC2(C)C)C[C@H]1NC(=O)OC(C)(C)C ZINC001291286988 1063635575 /nfs/dbraw/zinc/63/55/75/1063635575.db2.gz SCQCQDUEXWBHLI-GUDVDZBRSA-N 1 2 478.638 2.590 20 0 JFADLO CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001295595756 1063640150 /nfs/dbraw/zinc/64/01/50/1063640150.db2.gz ULQIJOVOELJLRF-NRFANRHFSA-N 1 2 458.582 2.502 20 0 JFADLO CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1CC[N@@H+]1CCOCC1(C)C ZINC001295598810 1063643076 /nfs/dbraw/zinc/64/30/76/1063643076.db2.gz QELTVRIUQJGDOF-UHFFFAOYSA-N 1 2 458.607 2.562 20 0 JFADLO CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1CC[N@H+]1CCOCC1(C)C ZINC001295598810 1063643087 /nfs/dbraw/zinc/64/30/87/1063643087.db2.gz QELTVRIUQJGDOF-UHFFFAOYSA-N 1 2 458.607 2.562 20 0 JFADLO C[C@@H]1C[N@@H+](CCCn2c(-c3ccccc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C[C@H](C)O1 ZINC001291289887 1063660485 /nfs/dbraw/zinc/66/04/85/1063660485.db2.gz RHYZUYNMEKOEIU-VWPQPMDRSA-N 1 2 475.659 2.848 20 0 JFADLO C[C@@H]1C[N@H+](CCCn2c(-c3ccccc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C[C@H](C)O1 ZINC001291289887 1063660493 /nfs/dbraw/zinc/66/04/93/1063660493.db2.gz RHYZUYNMEKOEIU-VWPQPMDRSA-N 1 2 475.659 2.848 20 0 JFADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291293223 1063683810 /nfs/dbraw/zinc/68/38/10/1063683810.db2.gz QXYZGZLSKPOOIB-MKXGPGLRSA-N 1 2 483.704 2.688 20 0 JFADLO CCN(CC1CC1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001295694274 1063723269 /nfs/dbraw/zinc/72/32/69/1063723269.db2.gz QHUYLRAXSXYIAK-UYAOXDASSA-N 1 2 478.638 2.544 20 0 JFADLO CCN(CC1CC1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001295694274 1063723282 /nfs/dbraw/zinc/72/32/82/1063723282.db2.gz QHUYLRAXSXYIAK-UYAOXDASSA-N 1 2 478.638 2.544 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(Cc2cn3ccccc3n2)nnc1N(C)CCC(F)(F)F ZINC001291308236 1063727858 /nfs/dbraw/zinc/72/78/58/1063727858.db2.gz KJKFCVGZKLLLGB-MRXNPFEDSA-N 1 2 451.497 2.626 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(Cc2cn3ccccc3n2)nnc1N(C)CCC(F)(F)F ZINC001291308236 1063727869 /nfs/dbraw/zinc/72/78/69/1063727869.db2.gz KJKFCVGZKLLLGB-MRXNPFEDSA-N 1 2 451.497 2.626 20 0 JFADLO C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CC[N@@H+]2CCOC[C@@H]2C)CCN1C(=O)OC(C)(C)C ZINC001291308777 1063731950 /nfs/dbraw/zinc/73/19/50/1063731950.db2.gz SKVWLSJVMBSAFE-HSALFYBXSA-N 1 2 478.638 2.686 20 0 JFADLO C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CC[N@H+]2CCOC[C@@H]2C)CCN1C(=O)OC(C)(C)C ZINC001291308777 1063731959 /nfs/dbraw/zinc/73/19/59/1063731959.db2.gz SKVWLSJVMBSAFE-HSALFYBXSA-N 1 2 478.638 2.686 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001291309348 1063734696 /nfs/dbraw/zinc/73/46/96/1063734696.db2.gz FAAQOQFQDNWWBE-SFHVURJKSA-N 1 2 490.674 2.774 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001291309348 1063734706 /nfs/dbraw/zinc/73/47/06/1063734706.db2.gz FAAQOQFQDNWWBE-SFHVURJKSA-N 1 2 490.674 2.774 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CCCO)CC1 ZINC001291309335 1063734871 /nfs/dbraw/zinc/73/48/71/1063734871.db2.gz DOAQNMGMBFXGKU-CEMLEFRQSA-N 1 2 463.667 2.906 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CCCO)CC1 ZINC001291309335 1063734881 /nfs/dbraw/zinc/73/48/81/1063734881.db2.gz DOAQNMGMBFXGKU-CEMLEFRQSA-N 1 2 463.667 2.906 20 0 JFADLO C[C@@H]1CSCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001291309652 1063735299 /nfs/dbraw/zinc/73/52/99/1063735299.db2.gz KYRSUXAHGRHMJU-QGZVFWFLSA-N 1 2 493.077 2.914 20 0 JFADLO C[C@@H]1CSCCN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001291309652 1063735306 /nfs/dbraw/zinc/73/53/06/1063735306.db2.gz KYRSUXAHGRHMJU-QGZVFWFLSA-N 1 2 493.077 2.914 20 0 JFADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001291310112 1063737876 /nfs/dbraw/zinc/73/78/76/1063737876.db2.gz UAPDTBNASADAPM-QZTJIDSGSA-N 1 2 463.648 2.897 20 0 JFADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001291310112 1063737893 /nfs/dbraw/zinc/73/78/93/1063737893.db2.gz UAPDTBNASADAPM-QZTJIDSGSA-N 1 2 463.648 2.897 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001291310107 1063738007 /nfs/dbraw/zinc/73/80/07/1063738007.db2.gz TZVZFSLRIYKJLQ-PMACEKPBSA-N 1 2 484.645 2.577 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001291310107 1063738012 /nfs/dbraw/zinc/73/80/12/1063738012.db2.gz TZVZFSLRIYKJLQ-PMACEKPBSA-N 1 2 484.645 2.577 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCO1 ZINC001291310124 1063738600 /nfs/dbraw/zinc/73/86/00/1063738600.db2.gz UHJHLJJYFFHVMQ-ZCNNSNEGSA-N 1 2 478.638 2.686 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCO1 ZINC001291310124 1063738618 /nfs/dbraw/zinc/73/86/18/1063738618.db2.gz UHJHLJJYFFHVMQ-ZCNNSNEGSA-N 1 2 478.638 2.686 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001291310193 1063738886 /nfs/dbraw/zinc/73/88/86/1063738886.db2.gz WBAMGXTUURVPJK-CVEARBPZSA-N 1 2 497.427 2.586 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001291310193 1063738899 /nfs/dbraw/zinc/73/88/99/1063738899.db2.gz WBAMGXTUURVPJK-CVEARBPZSA-N 1 2 497.427 2.586 20 0 JFADLO C[C@@H]1CSCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001291312824 1063744170 /nfs/dbraw/zinc/74/41/70/1063744170.db2.gz XKXSXGCAJCNIJG-KBRIMQKVSA-N 1 2 450.559 2.752 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(-c2cnn(C)c2)n1CCC(=O)NC(C)C ZINC001295747394 1063752148 /nfs/dbraw/zinc/75/21/48/1063752148.db2.gz AJNOUWJBRLMBTB-UHFFFAOYSA-N 1 2 479.633 2.731 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(Cc2ccncc2)n1CC(=O)NC(C)C ZINC001295750248 1063757475 /nfs/dbraw/zinc/75/74/75/1063757475.db2.gz VPIJHRDLGANUHJ-UHFFFAOYSA-N 1 2 476.629 2.926 20 0 JFADLO O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NCc1ccccc1-n1cc[nH+]c1 ZINC001295780249 1063785994 /nfs/dbraw/zinc/78/59/94/1063785994.db2.gz ISEKCLCOCJGJHY-UHFFFAOYSA-N 1 2 453.296 2.937 20 0 JFADLO C[C@@H]1SCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)[C@H]1C ZINC001291331406 1063787012 /nfs/dbraw/zinc/78/70/12/1063787012.db2.gz ITIIRNSTXVUDHR-YTXYEVPYSA-N 1 2 481.663 2.952 20 0 JFADLO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)CC)n2Cc2ccc[nH+]c2N2CCOCC2)C1 ZINC001291334632 1063792542 /nfs/dbraw/zinc/79/25/42/1063792542.db2.gz BYAZBCWMJPUZSA-UYAOXDASSA-N 1 2 455.607 2.567 20 0 JFADLO CCC(=O)N[C@@H]1CCCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccccc2-n2cc[nH+]c2)C1 ZINC001291335386 1063796286 /nfs/dbraw/zinc/79/62/86/1063796286.db2.gz PIYRTNRPDRVSCV-OAQYLSRUSA-N 1 2 492.628 2.926 20 0 JFADLO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2Cc2c[nH+]ccc2OC)C1 ZINC001291345267 1063838297 /nfs/dbraw/zinc/83/82/97/1063838297.db2.gz SSDRYMUYYNRQDE-FQEVSTJZSA-N 1 2 452.534 2.955 20 0 JFADLO CC[N@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1[C@H]1CCCO1)CCC(F)(F)F ZINC001295853756 1063881547 /nfs/dbraw/zinc/88/15/47/1063881547.db2.gz RHIFJZZXUADWHC-KZNAEPCWSA-N 1 2 493.596 2.602 20 0 JFADLO CC[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1[C@H]1CCCO1)CCC(F)(F)F ZINC001295853756 1063881559 /nfs/dbraw/zinc/88/15/59/1063881559.db2.gz RHIFJZZXUADWHC-KZNAEPCWSA-N 1 2 493.596 2.602 20 0 JFADLO CC[C@](C)(O)Cn1c(-c2ccccc2F)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC001291366441 1063890001 /nfs/dbraw/zinc/89/00/01/1063890001.db2.gz APALGKGVBFCOHT-CLOONOSVSA-N 1 2 472.609 2.768 20 0 JFADLO CC[C@@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001291372354 1063900653 /nfs/dbraw/zinc/90/06/53/1063900653.db2.gz ZQOQBTCQWFUBPS-YADARESESA-N 1 2 457.623 2.882 20 0 JFADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)CNC(=O)N2CCc3ccccc3C2)c2ccc(Cl)cc2)C1 ZINC001295868368 1063905240 /nfs/dbraw/zinc/90/52/40/1063905240.db2.gz ZPDOHFMTARQJIU-JTHBVZDNSA-N 1 2 456.974 2.596 20 0 JFADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)CNC(=O)N2CCc3ccccc3C2)c2ccc(Cl)cc2)C1 ZINC001295868368 1063905254 /nfs/dbraw/zinc/90/52/54/1063905254.db2.gz ZPDOHFMTARQJIU-JTHBVZDNSA-N 1 2 456.974 2.596 20 0 JFADLO CC[C@](C)(O)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001291380267 1063916269 /nfs/dbraw/zinc/91/62/69/1063916269.db2.gz NSOKMVRIOSJLOO-CEYNDMKZSA-N 1 2 485.633 2.931 20 0 JFADLO CC[C@](C)(O)Cn1c(N2CCc3c(cc[nH+]c3N(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001291380299 1063916526 /nfs/dbraw/zinc/91/65/26/1063916526.db2.gz OIQVZKYYKGQBOE-BJKOFHAPSA-N 1 2 458.607 2.503 20 0 JFADLO CCn1cc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)cn1 ZINC001295913324 1063965873 /nfs/dbraw/zinc/96/58/73/1063965873.db2.gz CGPPQHIGFFWLKW-MOPGFXCFSA-N 1 2 472.544 2.663 20 0 JFADLO CC[C@@H](C)[C@@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001291406919 1063978252 /nfs/dbraw/zinc/97/82/52/1063978252.db2.gz DNYBMLDVFSDDQL-OEEWACLQSA-N 1 2 492.690 2.886 20 0 JFADLO CC[C@H](C)c1nnc(N(C)CC(=O)NC(C)(C)C)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001291436229 1064017107 /nfs/dbraw/zinc/01/71/07/1064017107.db2.gz QOSJCAGAHUWGIX-ROUUACIJSA-N 1 2 457.623 2.811 20 0 JFADLO CC[C@H](C)c1nnc(N(C)CC(=O)NC(C)(C)C)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001291436230 1064017115 /nfs/dbraw/zinc/01/71/15/1064017115.db2.gz QOSJCAGAHUWGIX-ZWKOTPCHSA-N 1 2 457.623 2.811 20 0 JFADLO CC[C@@H](C)c1nnc(N(C)C[C@@H]2CN(CC)c3ccccc3O2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291453363 1064021021 /nfs/dbraw/zinc/02/10/21/1064021021.db2.gz HTGKQWNRWLYJLD-IFMALSPDSA-N 1 2 483.661 2.679 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCc2nnc(C)[nH]2)C[C@@H]1C ZINC001295980060 1064028607 /nfs/dbraw/zinc/02/86/07/1064028607.db2.gz NWPXVNVOAOHETO-KBPBESRZSA-N 1 2 476.427 2.634 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCc2nnc(C)[nH]2)C[C@@H]1C ZINC001295980060 1064028614 /nfs/dbraw/zinc/02/86/14/1064028614.db2.gz NWPXVNVOAOHETO-KBPBESRZSA-N 1 2 476.427 2.634 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCC(C(=O)OC)CC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001291484734 1064041358 /nfs/dbraw/zinc/04/13/58/1064041358.db2.gz DKDHWDNDVQLCAA-QZTJIDSGSA-N 1 2 456.591 2.849 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC(C(=O)NCCOC)CC2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001291485801 1064042781 /nfs/dbraw/zinc/04/27/81/1064042781.db2.gz VTVRZJKUFZBAJY-FXAWDEMLSA-N 1 2 457.623 2.853 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2ccc(C)cc2)C[C@@H]1C ZINC001295995330 1064051541 /nfs/dbraw/zinc/05/15/41/1064051541.db2.gz IHKJMSLGVPCXMB-UWHLTILDSA-N 1 2 475.659 2.875 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2ccc(C)cc2)C[C@@H]1C ZINC001295995330 1064051544 /nfs/dbraw/zinc/05/15/44/1064051544.db2.gz IHKJMSLGVPCXMB-UWHLTILDSA-N 1 2 475.659 2.875 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC(F)F)cc2)C[C@H]1C ZINC001295996459 1064052666 /nfs/dbraw/zinc/05/26/66/1064052666.db2.gz LCOZGRAQWUVJKV-RYRKJORJSA-N 1 2 483.585 2.749 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC(F)F)cc2)C[C@H]1C ZINC001295996459 1064052668 /nfs/dbraw/zinc/05/26/68/1064052668.db2.gz LCOZGRAQWUVJKV-RYRKJORJSA-N 1 2 483.585 2.749 20 0 JFADLO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3csc(C)n3)n2CC2(S(C)(=O)=O)CCCC2)C[C@H]1C ZINC001296006289 1064060758 /nfs/dbraw/zinc/06/07/58/1064060758.db2.gz AIGONYFCKIPIDV-IAGOWNOFSA-N 1 2 480.704 2.910 20 0 JFADLO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3csc(C)n3)n2CC2(S(C)(=O)=O)CCCC2)C[C@H]1C ZINC001296006289 1064060767 /nfs/dbraw/zinc/06/07/67/1064060767.db2.gz AIGONYFCKIPIDV-IAGOWNOFSA-N 1 2 480.704 2.910 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001296011421 1064071154 /nfs/dbraw/zinc/07/11/54/1064071154.db2.gz OQWOMABVSQUUNP-HKBOAZHASA-N 1 2 475.659 2.828 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001296011421 1064071162 /nfs/dbraw/zinc/07/11/62/1064071162.db2.gz OQWOMABVSQUUNP-HKBOAZHASA-N 1 2 475.659 2.828 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCS(=O)(=O)C2)C[C@@H]1C ZINC001296011422 1064071214 /nfs/dbraw/zinc/07/12/14/1064071214.db2.gz OQWOMABVSQUUNP-PCCBWWKXSA-N 1 2 475.659 2.828 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCS(=O)(=O)C2)C[C@@H]1C ZINC001296011422 1064071222 /nfs/dbraw/zinc/07/12/22/1064071222.db2.gz OQWOMABVSQUUNP-PCCBWWKXSA-N 1 2 475.659 2.828 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3ccc4ccccc43)n2CCCS(C)(=O)=O)C[C@@H]1C ZINC001296012553 1064073183 /nfs/dbraw/zinc/07/31/83/1064073183.db2.gz YWZMSCRXEAFCHJ-OALUTQOASA-N 1 2 458.632 2.635 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc(Cn3ccc4ccccc43)n2CCCS(C)(=O)=O)C[C@@H]1C ZINC001296012553 1064073189 /nfs/dbraw/zinc/07/31/89/1064073189.db2.gz YWZMSCRXEAFCHJ-OALUTQOASA-N 1 2 458.632 2.635 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001291593033 1064127859 /nfs/dbraw/zinc/12/78/59/1064127859.db2.gz OQYXLVCPJUMNGM-XXBNENTESA-N 1 2 476.629 2.650 20 0 JFADLO CC[C@H](C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001291599268 1064134394 /nfs/dbraw/zinc/13/43/94/1064134394.db2.gz YGFPEPWJPCABIR-UNVFRBQDSA-N 1 2 486.636 2.971 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(c3cc(C)ccc3C)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291601246 1064136553 /nfs/dbraw/zinc/13/65/53/1064136553.db2.gz DQLGQJLDOSSMHF-NRFANRHFSA-N 1 2 467.662 2.899 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CCNC(=O)C1CC1 ZINC001291616014 1064153168 /nfs/dbraw/zinc/15/31/68/1064153168.db2.gz VZQXQWSLGHLORJ-QGZVFWFLSA-N 1 2 454.623 2.866 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001291628784 1064171654 /nfs/dbraw/zinc/17/16/54/1064171654.db2.gz OZASKOGMNYKALS-RBBKRZOGSA-N 1 2 497.688 2.890 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(CC(F)F)CC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001291630553 1064174905 /nfs/dbraw/zinc/17/49/05/1064174905.db2.gz MFIPETFZDPHFCG-ZWKOTPCHSA-N 1 2 463.577 2.847 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(Cc3ccc(OC)c(F)c3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001291630213 1064175354 /nfs/dbraw/zinc/17/53/54/1064175354.db2.gz SLSPYZMAUUJWNE-PMACEKPBSA-N 1 2 474.625 2.982 20 0 JFADLO CCN1CCCN(c2nnc(-c3ccccn3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1=O ZINC001296105276 1064183724 /nfs/dbraw/zinc/18/37/24/1064183724.db2.gz JEFDYQXCFXZWPC-HXUWFJFHSA-N 1 2 469.540 2.980 20 0 JFADLO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCCOC(F)(F)F ZINC001291639698 1064188074 /nfs/dbraw/zinc/18/80/74/1064188074.db2.gz OCCZRUCMYACDPO-RTBURBONSA-N 1 2 476.588 2.949 20 0 JFADLO CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@H]1CCC[C@@H](O)C1 ZINC001291640391 1064189504 /nfs/dbraw/zinc/18/95/04/1064189504.db2.gz RQAIQXONCQUIHG-MYDTUXCISA-N 1 2 462.683 2.574 20 0 JFADLO CC[C@@H](C)c1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1CC1(CS(C)(=O)=O)CC1 ZINC001291643762 1064196100 /nfs/dbraw/zinc/19/61/00/1064196100.db2.gz QZVWPUMVBKUEFL-HXUWFJFHSA-N 1 2 459.660 2.981 20 0 JFADLO CC[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(OC)c3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291661776 1064209226 /nfs/dbraw/zinc/20/92/26/1064209226.db2.gz ISKOCTISYWBIPL-WMZHIEFXSA-N 1 2 470.618 2.542 20 0 JFADLO CC[C@@H](C)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001291715730 1064225242 /nfs/dbraw/zinc/22/52/42/1064225242.db2.gz ARJBGGLRASJNPJ-FGZHOGPDSA-N 1 2 488.702 2.875 20 0 JFADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2CCO[C@@](C)(CC)C2)CC1 ZINC001296132246 1064229424 /nfs/dbraw/zinc/22/94/24/1064229424.db2.gz AAQWDLWRWQZXBR-RLWLMLJZSA-N 1 2 486.661 2.897 20 0 JFADLO CC[C@H](C)CN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291727536 1064229714 /nfs/dbraw/zinc/22/97/14/1064229714.db2.gz ZMGXRGHSHNRHET-IBGZPJMESA-N 1 2 451.619 2.997 20 0 JFADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001296133579 1064233966 /nfs/dbraw/zinc/23/39/66/1064233966.db2.gz JBPJPTNZABPUDU-MOPGFXCFSA-N 1 2 463.026 2.762 20 0 JFADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001296133591 1064234053 /nfs/dbraw/zinc/23/40/53/1064234053.db2.gz JKANICGOYDVWGX-JOCHJYFZSA-N 1 2 499.704 2.851 20 0 JFADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001296133600 1064234395 /nfs/dbraw/zinc/23/43/95/1064234395.db2.gz JNXNFROKTUWPKE-YADHBBJMSA-N 1 2 456.635 2.725 20 0 JFADLO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001296142479 1064249998 /nfs/dbraw/zinc/24/99/98/1064249998.db2.gz LXPKQGOBXMRTLG-CEXWTWQISA-N 1 2 479.622 2.912 20 0 JFADLO CC[N@H+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001296142479 1064250009 /nfs/dbraw/zinc/25/00/09/1064250009.db2.gz LXPKQGOBXMRTLG-CEXWTWQISA-N 1 2 479.622 2.912 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCc2nnc(C)[nH]2)C[C@H]1C ZINC001296144998 1064255045 /nfs/dbraw/zinc/25/50/45/1064255045.db2.gz CABPVSSDPSHJRG-CQSZACIVSA-N 1 2 459.396 2.907 20 0 JFADLO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCc2nnc(C)[nH]2)C[C@H]1C ZINC001296144998 1064255053 /nfs/dbraw/zinc/25/50/53/1064255053.db2.gz CABPVSSDPSHJRG-CQSZACIVSA-N 1 2 459.396 2.907 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCS(C)(=O)=O)C[C@@H]1C ZINC001296150581 1064261953 /nfs/dbraw/zinc/26/19/53/1064261953.db2.gz OLBGQULBDPSTLL-HNNXBMFYSA-N 1 2 456.012 2.572 20 0 JFADLO CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCS(C)(=O)=O)C[C@@H]1C ZINC001296150581 1064261960 /nfs/dbraw/zinc/26/19/60/1064261960.db2.gz OLBGQULBDPSTLL-HNNXBMFYSA-N 1 2 456.012 2.572 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCS(C)(=O)=O)C[C@H]1C ZINC001296150582 1064262333 /nfs/dbraw/zinc/26/23/33/1064262333.db2.gz OLBGQULBDPSTLL-OAHLLOKOSA-N 1 2 456.012 2.572 20 0 JFADLO CC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCS(C)(=O)=O)C[C@H]1C ZINC001296150582 1064262340 /nfs/dbraw/zinc/26/23/40/1064262340.db2.gz OLBGQULBDPSTLL-OAHLLOKOSA-N 1 2 456.012 2.572 20 0 JFADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)Cc2cccs2)C[C@@H]1C ZINC001296158842 1064272434 /nfs/dbraw/zinc/27/24/34/1064272434.db2.gz JJBHOIPFWFCMEU-FGTMMUONSA-N 1 2 451.662 2.651 20 0 JFADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)Cc2cccs2)C[C@@H]1C ZINC001296158842 1064272445 /nfs/dbraw/zinc/27/24/45/1064272445.db2.gz JJBHOIPFWFCMEU-FGTMMUONSA-N 1 2 451.662 2.651 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001296160448 1064274084 /nfs/dbraw/zinc/27/40/84/1064274084.db2.gz GFPFQULLCMLWCU-MJGOQNOKSA-N 1 2 466.051 2.878 20 0 JFADLO CC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001296160448 1064274097 /nfs/dbraw/zinc/27/40/97/1064274097.db2.gz GFPFQULLCMLWCU-MJGOQNOKSA-N 1 2 466.051 2.878 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(CSc3ccccc3OC)n2CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001296173571 1064297239 /nfs/dbraw/zinc/29/72/39/1064297239.db2.gz JYFODPBXTAIHDS-GOSISDBHSA-N 1 2 493.699 2.934 20 0 JFADLO CC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001296173571 1064297262 /nfs/dbraw/zinc/29/72/62/1064297262.db2.gz JYFODPBXTAIHDS-GOSISDBHSA-N 1 2 493.699 2.934 20 0 JFADLO Cc1cc(Br)cn2cc(CCNC(=O)[C@@H]3CC(C(=O)OC(C)(C)C)=NO3)[nH+]c12 ZINC001296199694 1064374640 /nfs/dbraw/zinc/37/46/40/1064374640.db2.gz GGERHIFOOONNIL-HNNXBMFYSA-N 1 2 451.321 2.551 20 0 JFADLO CC[C@H](c1nnc(N2CCCN(C(C)=O)CC2)n1C[C@@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC001291881151 1064503404 /nfs/dbraw/zinc/50/34/04/1064503404.db2.gz LYFSMVUUDIRLOK-OFNKIYASSA-N 1 2 454.619 2.599 20 0 JFADLO Cc1c[nH+]c2cc(C(=O)N3CCC[C@H](C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)C3)ccn12 ZINC001291885647 1064506614 /nfs/dbraw/zinc/50/66/14/1064506614.db2.gz KNQLNDTYBSEMKC-IBGZPJMESA-N 1 2 455.559 2.574 20 0 JFADLO CC[C@H](c1nnc(N2CCN(CCOC)C(=O)C2)n1Cc1c[nH+]ccc1OC)c1ccccc1 ZINC001291895127 1064525545 /nfs/dbraw/zinc/52/55/45/1064525545.db2.gz SLQVAEKLDFDEAJ-NRFANRHFSA-N 1 2 464.570 2.567 20 0 JFADLO CCC(CC)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc[nH+]2)CC1)SC ZINC001291931681 1064549201 /nfs/dbraw/zinc/54/92/01/1064549201.db2.gz BZWKDFDCQUTPGX-GOSISDBHSA-N 1 2 478.688 2.824 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N(C)Cc2scnc2C)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001291993184 1064609046 /nfs/dbraw/zinc/60/90/46/1064609046.db2.gz FVEOQDJWCAOYRD-UHFFFAOYSA-N 1 2 498.657 2.878 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1ccc2ncccc2c1 ZINC001292006373 1064625520 /nfs/dbraw/zinc/62/55/20/1064625520.db2.gz FBWULCCAHFBJKZ-UHFFFAOYSA-N 1 2 465.602 2.561 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001292046682 1064711193 /nfs/dbraw/zinc/71/11/93/1064711193.db2.gz VBYUOAQLCPBIET-AEFFLSMTSA-N 1 2 455.611 2.543 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001292046682 1064711212 /nfs/dbraw/zinc/71/12/12/1064711212.db2.gz VBYUOAQLCPBIET-AEFFLSMTSA-N 1 2 455.611 2.543 20 0 JFADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccc(OC(F)F)c(Br)c1 ZINC001292059895 1064728646 /nfs/dbraw/zinc/72/86/46/1064728646.db2.gz YMPBACAMDODNQP-KRWDZBQOSA-N 1 2 451.333 2.988 20 0 JFADLO CCOC(=O)N1[C@H](C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC[C@H]1c1ccc(C)o1 ZINC001292059212 1064728767 /nfs/dbraw/zinc/72/87/67/1064728767.db2.gz UAGCDLAHQVKLKZ-SPEDKVCISA-N 1 2 451.589 2.574 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1C[C@@H](C)c1nccs1 ZINC001292062921 1064734813 /nfs/dbraw/zinc/73/48/13/1064734813.db2.gz IPFBWBUPNFGKRS-QUCCMNQESA-N 1 2 488.706 2.673 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3cc(C)cn3)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001292088137 1064771568 /nfs/dbraw/zinc/77/15/68/1064771568.db2.gz COJGAHINASPIQR-NRFANRHFSA-N 1 2 486.665 2.654 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3cc(C)cn3)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001292088137 1064771584 /nfs/dbraw/zinc/77/15/84/1064771584.db2.gz COJGAHINASPIQR-NRFANRHFSA-N 1 2 486.665 2.654 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3ccnn3C)C2)n1Cc1c[nH+]ccc1OC ZINC001292093970 1064783302 /nfs/dbraw/zinc/78/33/02/1064783302.db2.gz HMHKSUHTUNJVRQ-KRWDZBQOSA-N 1 2 466.590 2.766 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCCC3(CCOCC3)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001292100205 1064791078 /nfs/dbraw/zinc/79/10/78/1064791078.db2.gz BXAPGTQZVJVKSV-QFIPXVFZSA-N 1 2 490.693 2.950 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCCO[C@@H](C)C2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001292105949 1064801172 /nfs/dbraw/zinc/80/11/72/1064801172.db2.gz QKMSTDBUPVVRKC-SFHVURJKSA-N 1 2 455.607 2.855 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1Cc1ccccc1C ZINC001292121566 1064850242 /nfs/dbraw/zinc/85/02/42/1064850242.db2.gz ADOZNTWFVPDWNA-UHFFFAOYSA-N 1 2 462.602 2.978 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccco3)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001292135913 1064902650 /nfs/dbraw/zinc/90/26/50/1064902650.db2.gz DSITVWKMRZSKAY-IFMALSPDSA-N 1 2 488.633 2.724 20 0 JFADLO CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1)OC ZINC001292162414 1064947431 /nfs/dbraw/zinc/94/74/31/1064947431.db2.gz IVUMNDJJSRNJGH-LJQANCHMSA-N 1 2 497.575 2.820 20 0 JFADLO CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1)OC ZINC001292183035 1064973291 /nfs/dbraw/zinc/97/32/91/1064973291.db2.gz CHZHSCLQNPXPRV-UYAOXDASSA-N 1 2 458.607 2.795 20 0 JFADLO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC001292183801 1064974698 /nfs/dbraw/zinc/97/46/98/1064974698.db2.gz XBEKTROSGZWBLN-TUNNFDKTSA-N 1 2 459.587 2.517 20 0 JFADLO CC[C@@H](Cn1c(-c2cnccn2)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1)OC ZINC001292207799 1064995886 /nfs/dbraw/zinc/99/58/86/1064995886.db2.gz LPVILYCSPJQLLQ-HKUYNNGSSA-N 1 2 457.604 2.731 20 0 JFADLO CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc[nH+]2)CC1)NC(=O)OC(C)(C)C ZINC001292226462 1065013906 /nfs/dbraw/zinc/01/39/06/1065013906.db2.gz SZJZBFXEAKNQJK-RTBURBONSA-N 1 2 471.606 2.807 20 0 JFADLO CC[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)OC ZINC001292230818 1065018094 /nfs/dbraw/zinc/01/80/94/1065018094.db2.gz PKMGNEAHVGKZPM-KRWDZBQOSA-N 1 2 457.529 2.997 20 0 JFADLO CC[C@H](Cn1c(CC2CC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)NC(=O)OC(C)(C)C ZINC001292242554 1065024792 /nfs/dbraw/zinc/02/47/92/1065024792.db2.gz WCHFTDFQTMZYJD-LJQANCHMSA-N 1 2 470.622 2.959 20 0 JFADLO CC[C@]1(C)CCN(c2nnc([C@H](C)OCCOC)n2C[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC001292318144 1065083481 /nfs/dbraw/zinc/08/34/81/1065083481.db2.gz KRHPJYVBKCLQKJ-PMOQBDJRSA-N 1 2 467.680 2.836 20 0 JFADLO CC[C@@]1(C)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCC3)[nH+]c2)C1 ZINC001292319722 1065083964 /nfs/dbraw/zinc/08/39/64/1065083964.db2.gz SQGNITRMHFAMQW-VGSWGCGISA-N 1 2 461.636 2.558 20 0 JFADLO CC[C@]1(C)CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CCO1 ZINC001292366241 1065108411 /nfs/dbraw/zinc/10/84/11/1065108411.db2.gz WXVNOKILDXPDIF-IUKKYPGJSA-N 1 2 462.545 2.816 20 0 JFADLO CCc1ccc(-c2nnc(N3CC[C@@H]([NH+]4CCN(C(C)C)CC4)C3)n2CC(C)(C)C(=O)NC)cc1 ZINC001292499836 1065220243 /nfs/dbraw/zinc/22/02/43/1065220243.db2.gz ZBGQFFXKBWGWHJ-HSZRJFAPSA-N 1 2 481.689 2.884 20 0 JFADLO CCc1ccc([C@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)[nH+]c2)o1 ZINC001292538086 1065262176 /nfs/dbraw/zinc/26/21/76/1065262176.db2.gz OJUQJYWXWIIXCC-QFBILLFUSA-N 1 2 487.630 2.895 20 0 JFADLO CCc1ccccc1NC(=O)CN1CCN(c2nnc([C@H](C)CC)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001292579482 1065294252 /nfs/dbraw/zinc/29/42/52/1065294252.db2.gz SDBMNQIXQAHSOK-FGZHOGPDSA-N 1 2 497.688 2.835 20 0 JFADLO CCc1ccccc1NC(=O)CN1CCN(c2nnc([C@H](C)CC)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001292579482 1065294268 /nfs/dbraw/zinc/29/42/68/1065294268.db2.gz SDBMNQIXQAHSOK-FGZHOGPDSA-N 1 2 497.688 2.835 20 0 JFADLO CCc1ccccc1OCc1nnc(N2CCC[C@@H]2CC)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001292607764 1065333951 /nfs/dbraw/zinc/33/39/51/1065333951.db2.gz YXZUCYLAUOYUGL-QFIPXVFZSA-N 1 2 454.619 2.962 20 0 JFADLO CCc1ccccc1OCc1nnc(N2CCO[C@@](C)(CC)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001292620175 1065357242 /nfs/dbraw/zinc/35/72/42/1065357242.db2.gz ZDMPUBSFUAHQNK-SANMLTNESA-N 1 2 484.645 2.589 20 0 JFADLO CCc1cnc(CCn2c(-c3cccc(OC)c3)nnc2N(C)CC[NH+]2CCOCC2)s1 ZINC001292623414 1065358757 /nfs/dbraw/zinc/35/87/57/1065358757.db2.gz MTAKBRNUKAMACN-UHFFFAOYSA-N 1 2 456.616 2.984 20 0 JFADLO CCc1nc(C)c(Cn2c(CC(C)C)nnc2N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)o1 ZINC001292688923 1065434782 /nfs/dbraw/zinc/43/47/82/1065434782.db2.gz VKGZRMCLGKTUID-LJQANCHMSA-N 1 2 457.623 2.517 20 0 JFADLO CCc1nc(CCn2c(C(C)C)nnc2N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)cs1 ZINC001292696730 1065447209 /nfs/dbraw/zinc/44/72/09/1065447209.db2.gz ZLRLBMPBVLPHNB-OAQYLSRUSA-N 1 2 475.707 2.894 20 0 JFADLO CCc1nc(CCn2c(CC(C)C)nnc2N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)cs1 ZINC001292711774 1065467816 /nfs/dbraw/zinc/46/78/16/1065467816.db2.gz SSLXOSCARHHHLR-IBGZPJMESA-N 1 2 473.691 2.871 20 0 JFADLO CCc1nc(Cn2c(COc3ccc(F)cc3)nnc2N(C)CC[NH+]2CCOCC2)cs1 ZINC001292748796 1065506203 /nfs/dbraw/zinc/50/62/03/1065506203.db2.gz ADKAICHZBGXJOE-UHFFFAOYSA-N 1 2 460.579 2.832 20 0 JFADLO CCc1nc(CN2CCN(c3nnc(C(C)(C)C)n3CC[N@@H+]3CCOC[C@@H]3C)CC2)cs1 ZINC001292753294 1065509173 /nfs/dbraw/zinc/50/91/73/1065509173.db2.gz KJULTVCLFOXNPV-SFHVURJKSA-N 1 2 461.680 2.637 20 0 JFADLO CCc1nc(CN2CCN(c3nnc(C(C)(C)C)n3CC[N@H+]3CCOC[C@@H]3C)CC2)cs1 ZINC001292753294 1065509185 /nfs/dbraw/zinc/50/91/85/1065509185.db2.gz KJULTVCLFOXNPV-SFHVURJKSA-N 1 2 461.680 2.637 20 0 JFADLO CCc1nnc(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001292801913 1065560055 /nfs/dbraw/zinc/56/00/55/1065560055.db2.gz IFUDJUCWRUEXTP-QGZVFWFLSA-N 1 2 471.631 2.975 20 0 JFADLO CCc1nnc(N(Cc2cnn(C)c2)Cc2ccc(Cl)cc2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001292880258 1065584083 /nfs/dbraw/zinc/58/40/83/1065584083.db2.gz YSCVHAZDPFHYRA-UHFFFAOYSA-N 1 2 485.036 2.598 20 0 JFADLO CCc1nnc(N2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001292892581 1065590369 /nfs/dbraw/zinc/59/03/69/1065590369.db2.gz HYBVWSHREPLJQE-UGKGYDQZSA-N 1 2 465.602 2.501 20 0 JFADLO CCc1nnc(N2CCC(C(=O)c3ccc(O)cc3)CC2)n1CCC[NH+]1CCN(CC)CC1 ZINC001292918440 1065605088 /nfs/dbraw/zinc/60/50/88/1065605088.db2.gz HENMWAKTTVXJJU-UHFFFAOYSA-N 1 2 454.619 2.673 20 0 JFADLO CC(C)(C)OC(=O)N1CCC[C@H](/C=C/C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)C1 ZINC001292946096 1065629100 /nfs/dbraw/zinc/62/91/00/1065629100.db2.gz GNCFURBWGCZUPV-UFUQCMIWSA-N 1 2 456.587 2.633 20 0 JFADLO CC[NH+]1CCN([C@@H](C)CNC(=O)c2sccc2S(=O)(=O)Nc2ccc(C)cc2)CC1 ZINC001292985178 1065669509 /nfs/dbraw/zinc/66/95/09/1065669509.db2.gz DBYDKQXEJCIHCR-KRWDZBQOSA-N 1 2 450.630 2.613 20 0 JFADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)CC1 ZINC001293021323 1065695359 /nfs/dbraw/zinc/69/53/59/1065695359.db2.gz FQVKFRXDSQBDOW-UHFFFAOYSA-N 1 2 450.586 2.631 20 0 JFADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cc3sc(Br)cc3s2)CC1 ZINC001293022814 1065696293 /nfs/dbraw/zinc/69/62/93/1065696293.db2.gz MKCZFLKBVFTELM-UHFFFAOYSA-N 1 2 451.433 2.964 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 ZINC001293092746 1065740223 /nfs/dbraw/zinc/74/02/23/1065740223.db2.gz FEPLJKZYMAUIOC-PBHICJAKSA-N 1 2 456.381 2.852 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 ZINC001293092746 1065740238 /nfs/dbraw/zinc/74/02/38/1065740238.db2.gz FEPLJKZYMAUIOC-PBHICJAKSA-N 1 2 456.381 2.852 20 0 JFADLO CCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCc1ccc(Cl)c(OC)c1 ZINC001293093658 1065742097 /nfs/dbraw/zinc/74/20/97/1065742097.db2.gz IDQPKVSXUXZJLE-GOSISDBHSA-N 1 2 475.037 2.878 20 0 JFADLO CCOCC[NH+]1CCN(C(=O)CSCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC001293099583 1065749206 /nfs/dbraw/zinc/74/92/06/1065749206.db2.gz PIWWGZIGPVLGKT-UHFFFAOYSA-N 1 2 450.630 2.690 20 0 JFADLO CCc1nnc(N2CCN(c3nc(C)cc(OC)n3)CC2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001293111206 1065756619 /nfs/dbraw/zinc/75/66/19/1065756619.db2.gz MWXLXPKBNHCVFV-IBGZPJMESA-N 1 2 486.571 2.855 20 0 JFADLO Cc1oc(C(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)cc1S(N)(=O)=O ZINC001293122328 1065775187 /nfs/dbraw/zinc/77/51/87/1065775187.db2.gz CLLLTQJJLLPOAY-UHFFFAOYSA-N 1 2 454.911 2.957 20 0 JFADLO CCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001293129965 1065780483 /nfs/dbraw/zinc/78/04/83/1065780483.db2.gz CROFBXMZBZEPBH-CJFMBICVSA-N 1 2 491.080 2.633 20 0 JFADLO CCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@H](C)Oc1ccccc1OC ZINC001293132384 1065785026 /nfs/dbraw/zinc/78/50/26/1065785026.db2.gz VZMOOWKFZGNSJT-FCHUYYIVSA-N 1 2 486.661 2.548 20 0 JFADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CN(C(=O)C(C)(C)C)CCO1 ZINC001293136220 1065786762 /nfs/dbraw/zinc/78/67/62/1065786762.db2.gz DMGXVFADSDCTNA-JOCHJYFZSA-N 1 2 456.587 2.974 20 0 JFADLO CCc1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1Cc1cccn(CC)c1=O ZINC001293139046 1065789782 /nfs/dbraw/zinc/78/97/82/1065789782.db2.gz XRVXLGDKAYFERO-UHFFFAOYSA-N 1 2 471.005 2.925 20 0 JFADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@]34CN(C(=O)OC(C)(C)C)C[C@@H]3CCO4)CC2)c1 ZINC001293202843 1065830420 /nfs/dbraw/zinc/83/04/20/1065830420.db2.gz ZPPQTOPHFBSEJC-KNOQFWTLSA-N 1 2 459.587 2.926 20 0 JFADLO CC[C@@H]1C(=O)NCCN1c1nnc(C(C)(C)C)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001293220796 1065872795 /nfs/dbraw/zinc/87/27/95/1065872795.db2.gz VCQJFNNUWGPUSK-RTWAWAEBSA-N 1 2 454.619 2.672 20 0 JFADLO CC[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC001293455130 1066011830 /nfs/dbraw/zinc/01/18/30/1066011830.db2.gz LKRVWRGUYWXLGX-MSOLQXFVSA-N 1 2 461.636 2.558 20 0 JFADLO CC[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC001293482084 1066020692 /nfs/dbraw/zinc/02/06/92/1066020692.db2.gz CHTSRMLLYMBMLZ-LMNJBCLMSA-N 1 2 461.632 2.728 20 0 JFADLO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCCCCC3)[nH+]c2)CCO1 ZINC001293511124 1066037170 /nfs/dbraw/zinc/03/71/70/1066037170.db2.gz VUGRFDQTEPLKGI-FQEVSTJZSA-N 1 2 455.607 2.855 20 0 JFADLO CC[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001293520619 1066042482 /nfs/dbraw/zinc/04/24/82/1066042482.db2.gz ZFQSJRYJUVVZNJ-HXUWFJFHSA-N 1 2 491.036 2.588 20 0 JFADLO CC[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001293520619 1066042492 /nfs/dbraw/zinc/04/24/92/1066042492.db2.gz ZFQSJRYJUVVZNJ-HXUWFJFHSA-N 1 2 491.036 2.588 20 0 JFADLO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[S@](=O)CC)C[C@H]1[NH+]1CCOCC1 ZINC001293552471 1066067619 /nfs/dbraw/zinc/06/76/19/1066067619.db2.gz OVMQXDISITXECS-CBZUPHNRSA-N 1 2 466.051 2.914 20 0 JFADLO CC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CC2(S(C)(=O)=O)CC2)CC[N@@H+]1CCOC ZINC001293563873 1066076599 /nfs/dbraw/zinc/07/65/99/1066076599.db2.gz DEDYFEGKVGZMGM-QGZVFWFLSA-N 1 2 482.050 2.723 20 0 JFADLO CC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CC2(S(C)(=O)=O)CC2)CC[N@H+]1CCOC ZINC001293563873 1066076607 /nfs/dbraw/zinc/07/66/07/1066076607.db2.gz DEDYFEGKVGZMGM-QGZVFWFLSA-N 1 2 482.050 2.723 20 0 JFADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC001293625897 1066140605 /nfs/dbraw/zinc/14/06/05/1066140605.db2.gz DXIDZMYZLROUQL-UHFFFAOYSA-N 1 2 454.918 2.530 20 0 JFADLO CC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C[C@H](C)O1 ZINC001293630015 1066145180 /nfs/dbraw/zinc/14/51/80/1066145180.db2.gz NDELEUPRQCFSJC-SQGPQFPESA-N 1 2 476.572 2.985 20 0 JFADLO CC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[S@@](=O)CC)C[C@@H]1[NH+]1CCOCC1 ZINC001293654052 1066166720 /nfs/dbraw/zinc/16/67/20/1066166720.db2.gz WDIIOYGRQKCYML-LPTMQTJYSA-N 1 2 481.707 2.512 20 0 JFADLO CCCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001293754222 1066229578 /nfs/dbraw/zinc/22/95/78/1066229578.db2.gz CLKCPSZAVKMNIT-OAQYLSRUSA-N 1 2 462.602 2.658 20 0 JFADLO CCCC(=O)N[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCCc2cccc(C)[nH+]2)C1 ZINC001293755284 1066232697 /nfs/dbraw/zinc/23/26/97/1066232697.db2.gz KWYYVFZFAQATEN-NRFANRHFSA-N 1 2 467.618 2.622 20 0 JFADLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Cc2csc(NC(=O)c3cccc(O)c3)n2)CC1 ZINC001293773556 1066263690 /nfs/dbraw/zinc/26/36/90/1066263690.db2.gz UJIMAUQGUVATSQ-MRXNPFEDSA-N 1 2 451.552 2.944 20 0 JFADLO CCCC(=O)NC[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2-n2cc[nH+]c2)C1 ZINC001293782206 1066278955 /nfs/dbraw/zinc/27/89/55/1066278955.db2.gz XCRITFWESBUWIR-FQEVSTJZSA-N 1 2 492.628 2.783 20 0 JFADLO CCCC(=O)NC[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2-n2cc[nH+]c2)C1 ZINC001293782207 1066279072 /nfs/dbraw/zinc/27/90/72/1066279072.db2.gz XCRITFWESBUWIR-HXUWFJFHSA-N 1 2 492.628 2.783 20 0 JFADLO CCN(C(=O)CNC(=O)Cc1ccc(O)cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001293783449 1066280534 /nfs/dbraw/zinc/28/05/34/1066280534.db2.gz GNHHGQULSSCWEL-UHFFFAOYSA-N 1 2 453.587 2.790 20 0 JFADLO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001293785227 1066283836 /nfs/dbraw/zinc/28/38/36/1066283836.db2.gz MEUGITGRROCQLS-UYAOXDASSA-N 1 2 458.607 2.700 20 0 JFADLO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001293785227 1066283852 /nfs/dbraw/zinc/28/38/52/1066283852.db2.gz MEUGITGRROCQLS-UYAOXDASSA-N 1 2 458.607 2.700 20 0 JFADLO CCC[C@@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001293845900 1066348710 /nfs/dbraw/zinc/34/87/10/1066348710.db2.gz CNKQUGLAZSLRHB-GREBRCKQSA-N 1 2 478.663 2.640 20 0 JFADLO CCC[C@@H](C)C(=O)NCCn1c(-c2ccccn2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001293855217 1066362512 /nfs/dbraw/zinc/36/25/12/1066362512.db2.gz FTHOUJUEEHUDBD-GOSISDBHSA-N 1 2 482.658 2.980 20 0 JFADLO CCC[C@@H](Cn1c(-c2ccccc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)OC ZINC001293961500 1066461597 /nfs/dbraw/zinc/46/15/97/1066461597.db2.gz AJIOULIEEJHPKM-UNMCSNQZSA-N 1 2 454.619 2.893 20 0 JFADLO CCC[C@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1)OC ZINC001293969029 1066470780 /nfs/dbraw/zinc/47/07/80/1066470780.db2.gz PJCLVGQHHDGUJF-PZJWPPBQSA-N 1 2 471.650 2.668 20 0 JFADLO C[N@H+](CC(F)F)C1CCN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC001294042609 1066519135 /nfs/dbraw/zinc/51/91/35/1066519135.db2.gz WTGYGVNNRWAPNV-UHFFFAOYSA-N 1 2 458.358 2.850 20 0 JFADLO C[N@@H+](CC(F)F)C1CCN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC001294042609 1066519142 /nfs/dbraw/zinc/51/91/42/1066519142.db2.gz WTGYGVNNRWAPNV-UHFFFAOYSA-N 1 2 458.358 2.850 20 0 JFADLO CCC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C)CCCC2)CC[N@@H+]1CCOC ZINC001294085074 1066554738 /nfs/dbraw/zinc/55/47/38/1066554738.db2.gz DAGOBMWHOKPQJK-UXHICEINSA-N 1 2 467.680 2.698 20 0 JFADLO CCC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C)CCCC2)CC[N@H+]1CCOC ZINC001294085074 1066554743 /nfs/dbraw/zinc/55/47/43/1066554743.db2.gz DAGOBMWHOKPQJK-UXHICEINSA-N 1 2 467.680 2.698 20 0 JFADLO CCC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccsc2)[NH+](C)C)CCO1 ZINC001294086276 1066556853 /nfs/dbraw/zinc/55/68/53/1066556853.db2.gz KQSXNPXQBSFCDL-GUDVDZBRSA-N 1 2 467.661 2.550 20 0 JFADLO COc1ccc(N2C(=O)CC[C@@H](C(=O)NCC[NH+]3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000033362366 563110494 /nfs/dbraw/zinc/11/04/94/563110494.db2.gz UOUXYBGEACAVNO-GJZUVCINSA-N 1 2 497.592 2.645 20 0 JFADLO O=C(CC1CC1)N[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C[C@@H]2CCCO[C@@H]12 ZINC001164654897 719324158 /nfs/dbraw/zinc/32/41/58/719324158.db2.gz NQCWUERXAWZUDW-BBVWWWHTSA-N 1 2 461.610 2.935 20 0 JFADLO O=C(CC1CC1)N[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C[C@@H]2CCCO[C@@H]12 ZINC001164654897 719324159 /nfs/dbraw/zinc/32/41/59/719324159.db2.gz NQCWUERXAWZUDW-BBVWWWHTSA-N 1 2 461.610 2.935 20 0 JFADLO Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CCn4c(CN5CCOCC5)nnc4C3)c12 ZINC001164680926 719585801 /nfs/dbraw/zinc/58/58/01/719585801.db2.gz SVABBJYTDDHREH-UHFFFAOYSA-N 1 2 458.570 2.540 20 0 JFADLO O=C(NCCc1ccccn1)[C@@H]1C[C@H]2CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]2O1 ZINC001164703029 719818154 /nfs/dbraw/zinc/81/81/54/719818154.db2.gz UESDAYLVYRWPDS-VYCLJVNGSA-N 1 2 498.631 2.773 20 0 JFADLO O=C(NCCc1ccccn1)[C@@H]1C[C@H]2CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]2O1 ZINC001164703029 719818156 /nfs/dbraw/zinc/81/81/56/719818156.db2.gz UESDAYLVYRWPDS-VYCLJVNGSA-N 1 2 498.631 2.773 20 0 JFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c(Cl)nc(Cl)nc21 ZINC001164697300 719846771 /nfs/dbraw/zinc/84/67/71/719846771.db2.gz CJVGXKQGJGBRQH-XTZNXHDOSA-N 1 2 475.764 2.613 20 0 JFADLO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164698382 719852406 /nfs/dbraw/zinc/85/24/06/719852406.db2.gz BWAGAUAKBPHJHB-CMJOXMDJSA-N 1 2 476.961 2.693 20 0 JFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)ncc1OCc1ccccc1 ZINC001164706990 719855955 /nfs/dbraw/zinc/85/59/55/719855955.db2.gz ZVLGRRSDLMOMDB-FDDCHVKYSA-N 1 2 460.962 2.942 20 0 JFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2cc(OC)c(OC)cc2nc1Cl ZINC001164700106 719855995 /nfs/dbraw/zinc/85/59/95/719855995.db2.gz GKIKLRKGHXOKBG-RCDICMHDSA-N 1 2 464.950 2.533 20 0 JFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2cc(OC)c(OC)cc2nc1Cl ZINC001164700105 719856080 /nfs/dbraw/zinc/85/60/80/719856080.db2.gz GKIKLRKGHXOKBG-PEBXRYMYSA-N 1 2 464.950 2.533 20 0 JFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(C(=O)NC2CCCC2)cc1Cl ZINC001164700441 719869929 /nfs/dbraw/zinc/86/99/29/719869929.db2.gz DMNDPUFEENJYIR-JPYJTQIMSA-N 1 2 464.994 2.640 20 0 JFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)OCc2ccccc2)cn1 ZINC001164700533 719871306 /nfs/dbraw/zinc/87/13/06/719871306.db2.gz DVDBWUDQHZGKFG-BWKNWUBXSA-N 1 2 453.539 2.671 20 0 JFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc3c(c2)OCCCO3)nn1 ZINC001164700625 719872220 /nfs/dbraw/zinc/87/22/20/719872220.db2.gz FDUNFOLRBKUDSU-CLOONOSVSA-N 1 2 468.554 2.538 20 0 JFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cncc(OCc2cccc(Cl)c2)n1 ZINC001164700489 719877085 /nfs/dbraw/zinc/87/70/85/719877085.db2.gz DQECRHVLCKYGAL-XXBNENTESA-N 1 2 460.962 2.942 20 0 JFADLO Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(N3CCc4c(C(=O)N5CCN(C)CC5)nn(C)c4C3)c12 ZINC001164708259 719925287 /nfs/dbraw/zinc/92/52/87/719925287.db2.gz GNODUQDNPXGNCG-UHFFFAOYSA-N 1 2 498.635 2.780 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1cnc(Cl)c(Cl)c1)CC2 ZINC001164704796 719932665 /nfs/dbraw/zinc/93/26/65/719932665.db2.gz SAGIZSCNXQYHDI-UHFFFAOYSA-N 1 2 459.328 2.617 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)Sc1ccc(Cl)nc1)CC2 ZINC001164708131 719936526 /nfs/dbraw/zinc/93/65/26/719936526.db2.gz DMEVRFKVPCMKJI-UHFFFAOYSA-N 1 2 456.950 2.557 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc3cc(OCc4ccccc4)ccc31)CC2 ZINC001164708298 719938014 /nfs/dbraw/zinc/93/80/14/719938014.db2.gz HZBYKQQUJJXBPO-UHFFFAOYSA-N 1 2 497.603 2.893 20 0 JFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3ccc(F)cc3)C2)C1 ZINC001164721254 720290134 /nfs/dbraw/zinc/29/01/34/720290134.db2.gz IPGHIKOCRYCCQC-JOCHJYFZSA-N 1 2 463.941 2.726 20 0 JFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3ccc(F)cc3)C2)C1 ZINC001164721254 720290140 /nfs/dbraw/zinc/29/01/40/720290140.db2.gz IPGHIKOCRYCCQC-JOCHJYFZSA-N 1 2 463.941 2.726 20 0 JFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3cccc(C)c3)C2)C1 ZINC001164723348 720306117 /nfs/dbraw/zinc/30/61/17/720306117.db2.gz NTXGYRRQLXIWJB-HSZRJFAPSA-N 1 2 459.978 2.896 20 0 JFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3cccc(C)c3)C2)C1 ZINC001164723348 720306123 /nfs/dbraw/zinc/30/61/23/720306123.db2.gz NTXGYRRQLXIWJB-HSZRJFAPSA-N 1 2 459.978 2.896 20 0 JFADLO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCc2c([nH+]cn2C(C)C)[C@H]1CNC(C)=O ZINC001164724065 720310657 /nfs/dbraw/zinc/31/06/57/720310657.db2.gz QITQLSSJEGBJQJ-OAHLLOKOSA-N 1 2 470.908 2.869 20 0 JFADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1nc(Cl)cc(N2CCOCC2)n1 ZINC001164721374 720312674 /nfs/dbraw/zinc/31/26/74/720312674.db2.gz GQNKZQJJZQCUHW-INIZCTEOSA-N 1 2 483.951 2.529 20 0 JFADLO Cc1nc(CN2CCN(C)C3(CCN(c4nc(NCC5CC5)c(C)c[nH+]4)CC3)C2=O)cs1 ZINC001164830714 720357172 /nfs/dbraw/zinc/35/71/72/720357172.db2.gz WRLJCQYCXCOAFT-UHFFFAOYSA-N 1 2 455.632 2.685 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5nc(Cl)ccc54)CC3)C2=O)cs1 ZINC001164826480 720360929 /nfs/dbraw/zinc/36/09/29/720360929.db2.gz VRRJQGQIXLBKGV-UHFFFAOYSA-N 1 2 457.991 2.756 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5nc(Cl)ccc54)CC3)C2=O)cs1 ZINC001164826480 720360937 /nfs/dbraw/zinc/36/09/37/720360937.db2.gz VRRJQGQIXLBKGV-UHFFFAOYSA-N 1 2 457.991 2.756 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5c4SCC5)CC3)C2=O)cs1 ZINC001164826866 720366884 /nfs/dbraw/zinc/36/68/84/720366884.db2.gz ZVUOVYYNPOIHPQ-UHFFFAOYSA-N 1 2 465.048 2.856 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5c4SCC5)CC3)C2=O)cs1 ZINC001164826866 720366893 /nfs/dbraw/zinc/36/68/93/720366893.db2.gz ZVUOVYYNPOIHPQ-UHFFFAOYSA-N 1 2 465.048 2.856 20 0 JFADLO COc1nnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c2ccccc21 ZINC001164819692 720379014 /nfs/dbraw/zinc/37/90/14/720379014.db2.gz GCSPWVWTHXCTKK-UHFFFAOYSA-N 1 2 452.584 2.717 20 0 JFADLO COc1nnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c2ccccc21 ZINC001164819692 720379019 /nfs/dbraw/zinc/37/90/19/720379019.db2.gz GCSPWVWTHXCTKK-UHFFFAOYSA-N 1 2 452.584 2.717 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc(-c5cccc(F)c5)n4)CC3)C2=O)cs1 ZINC001164819969 720381693 /nfs/dbraw/zinc/38/16/93/720381693.db2.gz KAHILTNUEAIUMW-UHFFFAOYSA-N 1 2 467.574 2.756 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc(-c5cccc(F)c5)n4)CC3)C2=O)cs1 ZINC001164819969 720381698 /nfs/dbraw/zinc/38/16/98/720381698.db2.gz KAHILTNUEAIUMW-UHFFFAOYSA-N 1 2 467.574 2.756 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)nc(Cc3ccccc3)n1)C2 ZINC001164825255 720445995 /nfs/dbraw/zinc/44/59/95/720445995.db2.gz QWNIUIPTQSBTOZ-FQEVSTJZSA-N 1 2 483.016 2.907 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)C2 ZINC001164823483 720452780 /nfs/dbraw/zinc/45/27/80/720452780.db2.gz KECRQSICLKSFMC-OAHLLOKOSA-N 1 2 480.947 2.947 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)ncc1-c1ccccc1)C2 ZINC001164824165 720454442 /nfs/dbraw/zinc/45/44/42/720454442.db2.gz NDPRJRUHOXELLX-LJQANCHMSA-N 1 2 468.989 2.983 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncnc3[nH]c4ccc(Cl)cc4c31)C2 ZINC001164830722 720468778 /nfs/dbraw/zinc/46/87/78/720468778.db2.gz LHRRMXBHMZUSJV-MRXNPFEDSA-N 1 2 481.988 2.951 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc3ccccc3nc1N1CCCCC1)C2 ZINC001164830773 720469444 /nfs/dbraw/zinc/46/94/44/720469444.db2.gz LVORZZIBEJIJNL-OAQYLSRUSA-N 1 2 491.640 2.806 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc(SCc3ccccc3)n1)C2 ZINC001164835085 720478235 /nfs/dbraw/zinc/47/82/35/720478235.db2.gz WOVZKEVGJNUPGA-NRFANRHFSA-N 1 2 480.638 2.955 20 0 JFADLO CSc1ccc2ncnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c2c1 ZINC001164831021 720480878 /nfs/dbraw/zinc/48/08/78/720480878.db2.gz DSVAHAPFCRTPBB-KRWDZBQOSA-N 1 2 454.600 2.538 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)Oc1ccc(Cl)nc1Cl)C2 ZINC001164830683 720481288 /nfs/dbraw/zinc/48/12/88/720481288.db2.gz CJPKNTTUMHGFIN-AWEZNQCLSA-N 1 2 492.354 2.999 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccnc(CSc3ccccc3)n1)C2 ZINC001164834548 720481485 /nfs/dbraw/zinc/48/14/85/720481485.db2.gz UINGFFBMUWEXJT-HXUWFJFHSA-N 1 2 480.638 2.955 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cncc(OCc3cccc(Cl)c3)n1)C2 ZINC001164831875 720481525 /nfs/dbraw/zinc/48/15/25/720481525.db2.gz HTUYHCWAQDAYQB-FQEVSTJZSA-N 1 2 499.015 2.895 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)Oc1cc(Cl)nc(Cl)c1)C2 ZINC001164830958 720482016 /nfs/dbraw/zinc/48/20/16/720482016.db2.gz CZRXXMNACDSTSZ-CQSZACIVSA-N 1 2 492.354 2.999 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1c(F)ccc3c(Cl)ncnc31)C2 ZINC001164835485 720483986 /nfs/dbraw/zinc/48/39/86/720483986.db2.gz YNACIEQNFLDDRQ-HNNXBMFYSA-N 1 2 460.941 2.608 20 0 JFADLO O=C(c1cccnc1N1C[C@@H]2CN(Cc3ccncc3)C(=O)[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164853117 720812181 /nfs/dbraw/zinc/81/21/81/720812181.db2.gz POFUYEIHFAPWIJ-RSXGOPAZSA-N 1 2 496.615 2.529 20 0 JFADLO O=C(NCCc1ccccc1)[C@@]12COC[C@H]1CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164852045 720815413 /nfs/dbraw/zinc/81/54/13/720815413.db2.gz MOJWKOBWDQRKHX-GIGWZHCTSA-N 1 2 483.616 2.847 20 0 JFADLO O=C(NCCc1ccccc1)[C@@]12COC[C@H]1CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164852045 720815415 /nfs/dbraw/zinc/81/54/15/720815415.db2.gz MOJWKOBWDQRKHX-GIGWZHCTSA-N 1 2 483.616 2.847 20 0 JFADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)C2 ZINC001164860104 720895982 /nfs/dbraw/zinc/89/59/82/720895982.db2.gz SIAMLSMIPNCMEV-UHFFFAOYSA-N 1 2 484.898 2.949 20 0 JFADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cc(Cl)nc(-c3ccccn3)n1)C2 ZINC001164857656 720896522 /nfs/dbraw/zinc/89/65/22/720896522.db2.gz IZALPZPAJDTHHQ-UHFFFAOYSA-N 1 2 484.898 2.949 20 0 JFADLO O=C(NCc1ccccn1)[C@@H]1CCO[C@@H]2CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]21 ZINC001164757646 721018492 /nfs/dbraw/zinc/01/84/92/721018492.db2.gz FNRYNFVXNRBSRS-ONBPZOJHSA-N 1 2 498.631 2.978 20 0 JFADLO O=C(NCc1ccccn1)[C@@H]1CCO[C@@H]2CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]21 ZINC001164757646 721018500 /nfs/dbraw/zinc/01/85/00/721018500.db2.gz FNRYNFVXNRBSRS-ONBPZOJHSA-N 1 2 498.631 2.978 20 0 JFADLO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncccc4S(=O)(=O)Nc4cccc(F)c4)C[C@H]3C2)cn1 ZINC001164770119 721220470 /nfs/dbraw/zinc/22/04/70/721220470.db2.gz NETRKSFKRZOQSF-RTBURBONSA-N 1 2 470.574 2.713 20 0 JFADLO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncccc4S(=O)(=O)Nc4cccc(F)c4)C[C@H]3C2)cn1 ZINC001164770119 721220509 /nfs/dbraw/zinc/22/05/09/721220509.db2.gz NETRKSFKRZOQSF-RTBURBONSA-N 1 2 470.574 2.713 20 0 JFADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C[C@@H]2CCCO[C@H]12)c1cccnc1 ZINC001164787945 721378341 /nfs/dbraw/zinc/37/83/41/721378341.db2.gz YPPMBSNCBXGFGA-DFCKQENNSA-N 1 2 484.604 2.844 20 0 JFADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C[C@@H]2CCCO[C@H]12)c1cccnc1 ZINC001164787945 721378345 /nfs/dbraw/zinc/37/83/45/721378345.db2.gz YPPMBSNCBXGFGA-DFCKQENNSA-N 1 2 484.604 2.844 20 0 JFADLO CCOC[C@@H]1CN(c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)Cc2cnn(C)c21 ZINC001164793725 721477069 /nfs/dbraw/zinc/47/70/69/721477069.db2.gz YDCXHLMWHONDIA-QHCPKHFHSA-N 1 2 474.609 2.913 20 0 JFADLO CN(C)C(=O)[C@@H]1CC12CCN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001164908049 721569714 /nfs/dbraw/zinc/56/97/14/721569714.db2.gz POKPKOADGLYLNE-QHCPKHFHSA-N 1 2 461.610 2.734 20 0 JFADLO Cc1cc2nc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)nc(N3CCOCC3)c2s1 ZINC001165010036 721707071 /nfs/dbraw/zinc/70/70/71/721707071.db2.gz YBLSDAYJYJUWFP-UHFFFAOYSA-N 1 2 456.620 2.678 20 0 JFADLO Cc1cc2nc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)nc(N3CCOCC3)c2s1 ZINC001165010036 721707073 /nfs/dbraw/zinc/70/70/73/721707073.db2.gz YBLSDAYJYJUWFP-UHFFFAOYSA-N 1 2 456.620 2.678 20 0 JFADLO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165008558 721710544 /nfs/dbraw/zinc/71/05/44/721710544.db2.gz HEPCKLFEJLRKDX-UHFFFAOYSA-N 1 2 450.591 2.858 20 0 JFADLO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165008558 721710547 /nfs/dbraw/zinc/71/05/47/721710547.db2.gz HEPCKLFEJLRKDX-UHFFFAOYSA-N 1 2 450.591 2.858 20 0 JFADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1ccc3ncnc(Cl)c3c1)CC2 ZINC001165015573 721765591 /nfs/dbraw/zinc/76/55/91/721765591.db2.gz RUGLQNDVOMURIF-UHFFFAOYSA-N 1 2 486.914 2.751 20 0 JFADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)CC2 ZINC001165015374 721765851 /nfs/dbraw/zinc/76/58/51/721765851.db2.gz PFYHBJFDMYMFIL-UHFFFAOYSA-N 1 2 474.903 2.684 20 0 JFADLO Clc1nc(-c2ccccc2)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912433 721778034 /nfs/dbraw/zinc/77/80/34/721778034.db2.gz LWROPCMGVIDSMP-QHCPKHFHSA-N 1 2 452.946 2.695 20 0 JFADLO Clc1nc(-c2ccccc2)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912433 721778036 /nfs/dbraw/zinc/77/80/36/721778036.db2.gz LWROPCMGVIDSMP-QHCPKHFHSA-N 1 2 452.946 2.695 20 0 JFADLO COc1ccc2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c(Cl)nc2c1 ZINC001164910434 721779255 /nfs/dbraw/zinc/77/92/55/721779255.db2.gz BSGFZAAWWHOFJZ-HSZRJFAPSA-N 1 2 455.946 2.795 20 0 JFADLO COc1ccc2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c(Cl)nc2c1 ZINC001164910434 721779259 /nfs/dbraw/zinc/77/92/59/721779259.db2.gz BSGFZAAWWHOFJZ-HSZRJFAPSA-N 1 2 455.946 2.795 20 0 JFADLO FC(F)(COc1cccc(Cl)n1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916420 721787872 /nfs/dbraw/zinc/78/78/72/721787872.db2.gz QSAHSTJIEZFWOP-HXUWFJFHSA-N 1 2 454.905 2.705 20 0 JFADLO FC(F)(COc1cccc(Cl)n1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916420 721787874 /nfs/dbraw/zinc/78/78/74/721787874.db2.gz QSAHSTJIEZFWOP-HXUWFJFHSA-N 1 2 454.905 2.705 20 0 JFADLO Fc1ccc(Oc2nc(Cl)nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164916665 721788036 /nfs/dbraw/zinc/78/80/36/721788036.db2.gz RXXJPZKJOBXMIV-QHCPKHFHSA-N 1 2 486.935 2.959 20 0 JFADLO Fc1ccc(Oc2nc(Cl)nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164916665 721788037 /nfs/dbraw/zinc/78/80/37/721788037.db2.gz RXXJPZKJOBXMIV-QHCPKHFHSA-N 1 2 486.935 2.959 20 0 JFADLO Fc1cccc(Oc2cncc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)c1 ZINC001164917074 721790401 /nfs/dbraw/zinc/79/04/01/721790401.db2.gz WPJYGFPDZYJXDO-XMMPIXPASA-N 1 2 451.502 2.911 20 0 JFADLO Fc1cccc(Oc2cncc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)c1 ZINC001164917074 721790406 /nfs/dbraw/zinc/79/04/06/721790406.db2.gz WPJYGFPDZYJXDO-XMMPIXPASA-N 1 2 451.502 2.911 20 0 JFADLO CC(C)(C)OC(=O)Nc1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164915257 721792247 /nfs/dbraw/zinc/79/22/47/721792247.db2.gz UXCMSOFGLLSZFV-XMMPIXPASA-N 1 2 455.559 2.931 20 0 JFADLO CC(C)(C)OC(=O)Nc1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164915257 721792248 /nfs/dbraw/zinc/79/22/48/721792248.db2.gz UXCMSOFGLLSZFV-XMMPIXPASA-N 1 2 455.559 2.931 20 0 JFADLO COC(=O)C[C@H](c1ccnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1)C1CC1 ZINC001164913792 721793087 /nfs/dbraw/zinc/79/30/87/721793087.db2.gz HKBLJEGWMHFIAT-OZXSUGGESA-N 1 2 466.582 2.641 20 0 JFADLO COC(=O)C[C@H](c1ccnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1)C1CC1 ZINC001164913792 721793089 /nfs/dbraw/zinc/79/30/89/721793089.db2.gz HKBLJEGWMHFIAT-OZXSUGGESA-N 1 2 466.582 2.641 20 0 JFADLO Fc1ccc(Oc2ccnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164914713 721796790 /nfs/dbraw/zinc/79/67/90/721796790.db2.gz QVMZQHBNFJXWSF-XMMPIXPASA-N 1 2 451.502 2.911 20 0 JFADLO Fc1ccc(Oc2ccnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164914713 721796794 /nfs/dbraw/zinc/79/67/94/721796794.db2.gz QVMZQHBNFJXWSF-XMMPIXPASA-N 1 2 451.502 2.911 20 0 JFADLO Fc1ccc(Oc2ccnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164914712 721797078 /nfs/dbraw/zinc/79/70/78/721797078.db2.gz QVMZQHBNFJXWSF-DEOSSOPVSA-N 1 2 451.502 2.911 20 0 JFADLO Fc1ccc(Oc2ccnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164914712 721797081 /nfs/dbraw/zinc/79/70/81/721797081.db2.gz QVMZQHBNFJXWSF-DEOSSOPVSA-N 1 2 451.502 2.911 20 0 JFADLO O=S(=O)(Nc1ccc(F)c(N2CC[NH+](C[C@@H]3CCCO3)CC2)c1)c1ccc(Cl)nc1 ZINC001165044913 721921480 /nfs/dbraw/zinc/92/14/80/721921480.db2.gz XCTYNLXUIVNHFO-INIZCTEOSA-N 1 2 454.955 2.976 20 0 JFADLO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]21 ZINC001164943125 721938186 /nfs/dbraw/zinc/93/81/86/721938186.db2.gz OCWJGERJJVBCRR-JWQCQUIFSA-N 1 2 460.582 2.729 20 0 JFADLO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]21 ZINC001164943125 721938188 /nfs/dbraw/zinc/93/81/88/721938188.db2.gz OCWJGERJJVBCRR-JWQCQUIFSA-N 1 2 460.582 2.729 20 0 JFADLO Cc1noc(C)c1CN1CCO[C@H]2CN(c3cc(N4CCN(c5ccccc5F)CC4)[nH+]cn3)C[C@@H]21 ZINC001164950953 721958275 /nfs/dbraw/zinc/95/82/75/721958275.db2.gz YGOICFISXLTLBN-ZEQRLZLVSA-N 1 2 493.587 2.637 20 0 JFADLO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164948399 721974989 /nfs/dbraw/zinc/97/49/89/721974989.db2.gz YTJITZMNHSDPOB-UHFFFAOYSA-N 1 2 478.380 2.931 20 0 JFADLO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164948399 721974991 /nfs/dbraw/zinc/97/49/91/721974991.db2.gz YTJITZMNHSDPOB-UHFFFAOYSA-N 1 2 478.380 2.931 20 0 JFADLO Cc1noc(C[C@@H]2C[C@H]3CN(c4ncccc4C(=O)N4CC[NH+](Cc5ccccc5)CC4)C[C@@H]3O2)n1 ZINC001164963508 722041455 /nfs/dbraw/zinc/04/14/55/722041455.db2.gz ROGOYSZLDIWLEN-FIXSFTCYSA-N 1 2 488.592 2.567 20 0 JFADLO Cc1nc(CN2CCO[C@H]3CCN(c4cc(-c5cc6c([nH]5)CCNC6=O)cc[nH+]4)CC[C@H]32)cs1 ZINC001164989213 722180970 /nfs/dbraw/zinc/18/09/70/722180970.db2.gz LMBZGIFZPOOVFA-PKTZIBPZSA-N 1 2 478.622 2.997 20 0 JFADLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(-c5cc6c([nH]5)CCNC6=O)cc[nH+]4)CC[C@H]32)cs1 ZINC001164989211 722181056 /nfs/dbraw/zinc/18/10/56/722181056.db2.gz LMBZGIFZPOOVFA-DHIUTWEWSA-N 1 2 478.622 2.997 20 0 JFADLO Cc1nc(CN2CCO[C@@H]3CCN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[C@@H]32)cs1 ZINC001164986258 722185001 /nfs/dbraw/zinc/18/50/01/722185001.db2.gz DXGKOGDTXVMWOO-LEWJYISDSA-N 1 2 484.674 2.707 20 0 JFADLO Cc1nc(CN2CCO[C@@H]3CCN(c4nc(N5CCCC5)nc(N5CCCC5)[nH+]4)CC[C@@H]32)cs1 ZINC001164986258 722185002 /nfs/dbraw/zinc/18/50/02/722185002.db2.gz DXGKOGDTXVMWOO-LEWJYISDSA-N 1 2 484.674 2.707 20 0 JFADLO COc1ccc(N(CCC(=O)NCCc2[nH+]ccn2C)S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC001263973827 1059503976 /nfs/dbraw/zinc/50/39/76/1059503976.db2.gz MKJNEYKWBKLAML-UHFFFAOYSA-N 1 2 470.595 2.990 20 0 JFADLO O=C(CCCS(=O)(=O)c1cccc(Br)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC001264153385 1059529667 /nfs/dbraw/zinc/52/96/67/1059529667.db2.gz IBYBHDAJJZKVDW-UHFFFAOYSA-N 1 2 452.374 2.747 20 0 JFADLO O=C(C[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N(c3cccc(F)c3)C2)CC1)Nc1ccccc1 ZINC001264342111 1059576329 /nfs/dbraw/zinc/57/63/29/1059576329.db2.gz PBOZAEZKVRTICO-GOSISDBHSA-N 1 2 452.530 2.788 20 0 JFADLO CC(C)(C)OC(=O)CC[C@H]1C[C@H](C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CO1 ZINC001264342121 1059576889 /nfs/dbraw/zinc/57/68/89/1059576889.db2.gz PHAIFQGSNJPYJO-RXVVDRJESA-N 1 2 459.587 2.733 20 0 JFADLO CC(C)(C)OC(=O)Nc1cnc(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)cn1 ZINC001264342200 1059577104 /nfs/dbraw/zinc/57/71/04/1059577104.db2.gz SGEIQVMMJKFNCK-UHFFFAOYSA-N 1 2 454.531 2.657 20 0 JFADLO CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CO1 ZINC001264342122 1059577180 /nfs/dbraw/zinc/57/71/80/1059577180.db2.gz PHAIFQGSNJPYJO-WIYYLYMNSA-N 1 2 459.587 2.733 20 0 JFADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)Nc1ccc(-n2cncn2)nc1)Cc1ccccc1 ZINC001264353060 1059583143 /nfs/dbraw/zinc/58/31/43/1059583143.db2.gz PQQYWIMLVNXGBD-UHFFFAOYSA-N 1 2 451.531 2.628 20 0 JFADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)Nc1ccc(-n2cncn2)nc1)Cc1ccccc1 ZINC001264353060 1059583165 /nfs/dbraw/zinc/58/31/65/1059583165.db2.gz PQQYWIMLVNXGBD-UHFFFAOYSA-N 1 2 451.531 2.628 20 0 JFADLO O=C(Cn1nnnc1-c1ccsc1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001264401830 1059590875 /nfs/dbraw/zinc/59/08/75/1059590875.db2.gz YNYPCSMDBKBFNK-UHFFFAOYSA-N 1 2 452.462 2.645 20 0 JFADLO CN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H](c3cccc(Cl)c3)[NH+](C)C)c2)CC1 ZINC001264778548 1059673702 /nfs/dbraw/zinc/67/37/02/1059673702.db2.gz GQSTUJNEWPILFB-FQEVSTJZSA-N 1 2 450.992 2.518 20 0 JFADLO C[C@H](C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccc(I)cc1 ZINC001265166718 1059786825 /nfs/dbraw/zinc/78/68/25/1059786825.db2.gz PKIZLRRUAAGURZ-AWEZNQCLSA-N 1 2 454.312 2.562 20 0 JFADLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)N2CCN(Cc3ccc(Cl)nc3)CC2)c1 ZINC001265200436 1059792979 /nfs/dbraw/zinc/79/29/79/1059792979.db2.gz SQBPBTXXYQDOSE-UHFFFAOYSA-N 1 2 452.946 2.918 20 0 JFADLO CCCCN(CC)c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1 ZINC001265420448 1059852393 /nfs/dbraw/zinc/85/23/93/1059852393.db2.gz WEZSGYQEGPEOGG-UHFFFAOYSA-N 1 2 452.603 2.902 20 0 JFADLO CCCCN(CC)c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1 ZINC001265420448 1059852422 /nfs/dbraw/zinc/85/24/22/1059852422.db2.gz WEZSGYQEGPEOGG-UHFFFAOYSA-N 1 2 452.603 2.902 20 0 JFADLO COc1cc(CN2CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)CC2)cc(OC)c1OC ZINC001265540703 1059882663 /nfs/dbraw/zinc/88/26/63/1059882663.db2.gz AWMRIOLGYBTTCR-UHFFFAOYSA-N 1 2 450.539 2.915 20 0 JFADLO C[C@H](CO[C@H]1CCOC1)NC(=O)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001266103952 1059963128 /nfs/dbraw/zinc/96/31/28/1059963128.db2.gz BOOUHNALXLMGFW-NQIIRXRSSA-N 1 2 458.990 2.981 20 0 JFADLO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)c2ccccc2O1 ZINC001266160947 1059968884 /nfs/dbraw/zinc/96/88/84/1059968884.db2.gz XXIHOOXIPZBJLS-CYBMUJFWSA-N 1 2 453.358 2.822 20 0 JFADLO Cn1cc[nH+]c1C[C@@H](NC(=O)CCc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1 ZINC001280395440 1060004828 /nfs/dbraw/zinc/00/48/28/1060004828.db2.gz VECDTGORSAVJNY-JOCHJYFZSA-N 1 2 452.580 2.993 20 0 JFADLO C/C(=C\c1ccccc1)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001286837412 1061092360 /nfs/dbraw/zinc/09/23/60/1061092360.db2.gz DUZVBRXFFIXCKV-YMQJMOIJSA-N 1 2 455.628 2.982 20 0 JFADLO C/C(=C\c1ccccc1)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CC=CCC1 ZINC001286837412 1061092381 /nfs/dbraw/zinc/09/23/81/1061092381.db2.gz DUZVBRXFFIXCKV-YMQJMOIJSA-N 1 2 455.628 2.982 20 0 JFADLO CC(=O)N1CCC[C@@H](Cn2c(COc3ccc(Cl)cc3)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001286859781 1061224820 /nfs/dbraw/zinc/22/48/20/1061224820.db2.gz KLPVFXDAUHTGMH-HXUWFJFHSA-N 1 2 491.036 2.537 20 0 JFADLO Cc1ccc([C@H]2CCCN2c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)[nH+]c2)o1 ZINC001289620043 1061259073 /nfs/dbraw/zinc/25/90/73/1061259073.db2.gz XENPDWQPIUJYKT-SJLPKXTDSA-N 1 2 473.603 2.641 20 0 JFADLO Cc1ccc(Cn2c(CC(C)C)nnc2N(C)CC[NH+]2CCOCC2)c(O[C@H]2CCOC2)c1 ZINC001289682943 1061298454 /nfs/dbraw/zinc/29/84/54/1061298454.db2.gz BIPXFPBTEGEUKU-QFIPXVFZSA-N 1 2 457.619 2.769 20 0 JFADLO CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2CCCNc2cccc[nH+]2)[C@@H](C)C1 ZINC001286882660 1061309752 /nfs/dbraw/zinc/30/97/52/1061309752.db2.gz CXVOCXXUTAXUOR-INIZCTEOSA-N 1 2 454.604 2.588 20 0 JFADLO CC(=O)N1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001286882807 1061311928 /nfs/dbraw/zinc/31/19/28/1061311928.db2.gz JLEHFTCGRLKVAU-FQEVSTJZSA-N 1 2 484.645 2.544 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3csc(C)n3)nnc2N2CCC(OC(C)(C)C)CC2)CC1 ZINC001286890033 1061352725 /nfs/dbraw/zinc/35/27/25/1061352725.db2.gz NKLUBYDHYWDNKW-UHFFFAOYSA-N 1 2 489.690 2.582 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCOC3)nnc2N(C)CCCOc2ccccc2C)CC1 ZINC001286890362 1061354495 /nfs/dbraw/zinc/35/44/95/1061354495.db2.gz PIOZUIYYPJOYFH-QHCPKHFHSA-N 1 2 484.645 2.550 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3ccccc3F)nnc2N2C[C@@H](C)CC[C@H]2C)CC1 ZINC001286890569 1061355439 /nfs/dbraw/zinc/35/54/39/1061355439.db2.gz SMQZCXRXCVYVBT-RBUKOAKNSA-N 1 2 458.582 2.785 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)CCC(F)F)CC1 ZINC001286890701 1061356470 /nfs/dbraw/zinc/35/64/70/1061356470.db2.gz VEZVDEJCERJWAO-SFHVURJKSA-N 1 2 499.607 2.606 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001286891286 1061359096 /nfs/dbraw/zinc/35/90/96/1061359096.db2.gz WZRXDZYMULZRHP-OALUTQOASA-N 1 2 488.608 2.725 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001286891287 1061359179 /nfs/dbraw/zinc/35/91/79/1061359179.db2.gz WZRXDZYMULZRHP-RBUKOAKNSA-N 1 2 488.608 2.725 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(-c3ccc(C)o3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001286891422 1061359700 /nfs/dbraw/zinc/35/97/00/1061359700.db2.gz XCCVIGZOCGWUBZ-SFHVURJKSA-N 1 2 484.523 2.558 20 0 JFADLO Cc1ccc(O[C@H](C)Cn2c(Cc3cccnc3)nnc2N(C)CC[NH+]2CCOCC2)cc1 ZINC001289761977 1061384489 /nfs/dbraw/zinc/38/44/89/1061384489.db2.gz DHPWUVCUIQDRLK-OAQYLSRUSA-N 1 2 450.587 2.808 20 0 JFADLO Cc1ccc(OC(F)F)c(Cn2c([C@@H]3CCOC3)nnc2N(C)CC[NH+]2CCOCC2)c1 ZINC001289768841 1061389500 /nfs/dbraw/zinc/38/95/00/1061389500.db2.gz UWASAPXNRGZBDF-QGZVFWFLSA-N 1 2 451.518 2.509 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001289818149 1061474287 /nfs/dbraw/zinc/47/42/87/1061474287.db2.gz KNLSFBOEJOCKHW-NRFANRHFSA-N 1 2 484.626 2.688 20 0 JFADLO CC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001286914588 1061484786 /nfs/dbraw/zinc/48/47/86/1061484786.db2.gz KSJBPTLHVBCVJO-FQEVSTJZSA-N 1 2 451.550 2.622 20 0 JFADLO Cc1ccc(SCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CC[N@@H+]2CCOCC2(C)C)cc1 ZINC001289868781 1061551123 /nfs/dbraw/zinc/55/11/23/1061551123.db2.gz WFKDNSVEPBWBMJ-XMMPIXPASA-N 1 2 472.659 2.691 20 0 JFADLO Cc1ccc(SCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CC[N@H+]2CCOCC2(C)C)cc1 ZINC001289868781 1061551143 /nfs/dbraw/zinc/55/11/43/1061551143.db2.gz WFKDNSVEPBWBMJ-XMMPIXPASA-N 1 2 472.659 2.691 20 0 JFADLO CC(=O)NCC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001286932248 1061560770 /nfs/dbraw/zinc/56/07/70/1061560770.db2.gz PNSDVCDBQKWEEE-RBUKOAKNSA-N 1 2 488.608 2.630 20 0 JFADLO CC(=O)NCC1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001286932248 1061560785 /nfs/dbraw/zinc/56/07/85/1061560785.db2.gz PNSDVCDBQKWEEE-RBUKOAKNSA-N 1 2 488.608 2.630 20 0 JFADLO CCC[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@@H]2CCCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC001294095987 1061574531 /nfs/dbraw/zinc/57/45/31/1061574531.db2.gz QBWHWERWLCYLBC-FCHUYYIVSA-N 1 2 481.707 2.773 20 0 JFADLO CCC[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@@H]2CCCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC001294095987 1061574551 /nfs/dbraw/zinc/57/45/51/1061574551.db2.gz QBWHWERWLCYLBC-FCHUYYIVSA-N 1 2 481.707 2.773 20 0 JFADLO Cc1cccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC(F)(F)F)[NH+]2CCOCC2)c1 ZINC001289893304 1061578004 /nfs/dbraw/zinc/57/80/04/1061578004.db2.gz HEEPBDMXBUVAEK-ROUUACIJSA-N 1 2 466.508 2.610 20 0 JFADLO CCC[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001294098384 1061578476 /nfs/dbraw/zinc/57/84/76/1061578476.db2.gz VVHOBHMQZVCHOW-GOSISDBHSA-N 1 2 469.615 2.784 20 0 JFADLO Cc1cccc([C@@H](Cn2c(N3CCC[C@H](C(N)=O)C3)nnc2C(C)(C)C)[NH+]2CCOCC2)c1 ZINC001289894881 1061580867 /nfs/dbraw/zinc/58/08/67/1061580867.db2.gz ZTODIFOQJNNUSB-LEWJYISDSA-N 1 2 454.619 2.659 20 0 JFADLO Cc1nnc(N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)n1CCCNc1cccc[nH+]1 ZINC001289901091 1061586634 /nfs/dbraw/zinc/58/66/34/1061586634.db2.gz BIVURFLKHNYAAO-UHFFFAOYSA-N 1 2 462.602 2.861 20 0 JFADLO COc1cc(CN2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccc3O)CC2)cc(OC)c1OC ZINC001294122956 1061605661 /nfs/dbraw/zinc/60/56/61/1061605661.db2.gz CQRRMMHBUZUQSE-UHFFFAOYSA-N 1 2 452.511 2.562 20 0 JFADLO O=C(CCc1nc(-c2cc(Br)cs2)no1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC001294155986 1061640096 /nfs/dbraw/zinc/64/00/96/1061640096.db2.gz JNMYSADBFRPAET-AWEZNQCLSA-N 1 2 455.378 2.816 20 0 JFADLO CC(=O)NC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CCO1 ZINC001286948684 1061661645 /nfs/dbraw/zinc/66/16/45/1061661645.db2.gz USVJTPUGJNEVAL-YLJYHZDGSA-N 1 2 478.588 2.789 20 0 JFADLO CC(=O)NC[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CCO1 ZINC001286948681 1061661682 /nfs/dbraw/zinc/66/16/82/1061661682.db2.gz USVJTPUGJNEVAL-FXAWDEMLSA-N 1 2 478.588 2.789 20 0 JFADLO Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC001289973232 1061683978 /nfs/dbraw/zinc/68/39/78/1061683978.db2.gz RMDLJSRPMUYHJA-JXFKEZNVSA-N 1 2 469.540 2.931 20 0 JFADLO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(C(C)(C)C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001286954398 1061705141 /nfs/dbraw/zinc/70/51/41/1061705141.db2.gz BFFYMZBEZLZHON-KRWDZBQOSA-N 1 2 462.664 2.809 20 0 JFADLO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(C(C)(C)C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001286954398 1061705163 /nfs/dbraw/zinc/70/51/63/1061705163.db2.gz BFFYMZBEZLZHON-KRWDZBQOSA-N 1 2 462.664 2.809 20 0 JFADLO Cc1cccc(-c2nnc(N3CC[NH+](CC(=O)N4CCCC[C@H]4C)CC3)n2CC(F)(F)F)n1 ZINC001289984021 1061707603 /nfs/dbraw/zinc/70/76/03/1061707603.db2.gz XIJBSQTWDWCPEY-QGZVFWFLSA-N 1 2 465.524 2.734 20 0 JFADLO Cc1ncc(C[NH+]2CCN(c3nnc(-c4cccc(C)n4)n3CCNC(=O)C(C)(C)C)CC2)s1 ZINC001289985643 1061711189 /nfs/dbraw/zinc/71/11/89/1061711189.db2.gz PGQOVOHAHNYTEY-UHFFFAOYSA-N 1 2 482.658 2.898 20 0 JFADLO Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C)O[C@@]3(CCCOC3)C2)[nH+]1 ZINC001290002253 1061726385 /nfs/dbraw/zinc/72/63/85/1061726385.db2.gz DEWMTAXTDIXLLI-DVECYGJZSA-N 1 2 456.591 2.527 20 0 JFADLO Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C)O[C@]3(CCCOC3)C2)[nH+]1 ZINC001290002255 1061726671 /nfs/dbraw/zinc/72/66/71/1061726671.db2.gz DEWMTAXTDIXLLI-NTKDMRAZSA-N 1 2 456.591 2.527 20 0 JFADLO Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)c3ccsc3)CC2)[nH+]1 ZINC001290003519 1061729765 /nfs/dbraw/zinc/72/97/65/1061729765.db2.gz QKLNYMCHBZAUKF-UHFFFAOYSA-N 1 2 481.626 2.776 20 0 JFADLO Cc1cccc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](c3ccco3)C2)[nH+]1 ZINC001290004090 1061730560 /nfs/dbraw/zinc/73/05/60/1061730560.db2.gz XSSRFZNTGPASLE-ZWKOTPCHSA-N 1 2 458.588 2.811 20 0 JFADLO Cc1cccc(CCCn2c(Cc3ccccc3C)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)[nH+]1 ZINC001290010924 1061734995 /nfs/dbraw/zinc/73/49/95/1061734995.db2.gz ZGTMEKFFYKPZOW-NRFANRHFSA-N 1 2 482.654 2.984 20 0 JFADLO CCOc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)cc1S(=O)(=O)N1CCCC1 ZINC001290012750 1061735660 /nfs/dbraw/zinc/73/56/60/1061735660.db2.gz CTOLBBCWUBCINP-HXUWFJFHSA-N 1 2 458.584 2.868 20 0 JFADLO CCOc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)cc1S(=O)(=O)N1CCCC1 ZINC001290012750 1061735685 /nfs/dbraw/zinc/73/56/85/1061735685.db2.gz CTOLBBCWUBCINP-HXUWFJFHSA-N 1 2 458.584 2.868 20 0 JFADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(F)(F)F)CC1 ZINC001286971910 1061751051 /nfs/dbraw/zinc/75/10/51/1061751051.db2.gz MCQMTGOCCRRJNF-INIZCTEOSA-N 1 2 468.499 2.703 20 0 JFADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(CC3CCCC3)n2CCOC(C)(C)C)CC1 ZINC001286972685 1061755304 /nfs/dbraw/zinc/75/53/04/1061755304.db2.gz UUSLXYKXTOHSBE-FQEVSTJZSA-N 1 2 460.667 2.959 20 0 JFADLO Cc1cccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CCCNc2cccc[nH+]2)c1 ZINC001290046252 1061764756 /nfs/dbraw/zinc/76/47/56/1061764756.db2.gz DDSIJEMCOSKGQB-LJQANCHMSA-N 1 2 470.599 2.686 20 0 JFADLO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC001294275783 1061768927 /nfs/dbraw/zinc/76/89/27/1061768927.db2.gz FDCYDQSQGUOERI-SFHVURJKSA-N 1 2 450.967 2.551 20 0 JFADLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001286974591 1061769800 /nfs/dbraw/zinc/76/98/00/1061769800.db2.gz HNIXURFQQZVNTE-OALUTQOASA-N 1 2 483.642 2.565 20 0 JFADLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001286975948 1061780096 /nfs/dbraw/zinc/78/00/96/1061780096.db2.gz DULCYLFNSRTHLQ-ROUUACIJSA-N 1 2 471.631 2.585 20 0 JFADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCO2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001286978243 1061796367 /nfs/dbraw/zinc/79/63/67/1061796367.db2.gz PPVRMOLYCPNLFE-MBOZVWFJSA-N 1 2 467.611 2.659 20 0 JFADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCO2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001286978243 1061796388 /nfs/dbraw/zinc/79/63/88/1061796388.db2.gz PPVRMOLYCPNLFE-MBOZVWFJSA-N 1 2 467.611 2.659 20 0 JFADLO CC(C)(C)C(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCNc2cccc[nH+]2)CC1 ZINC001286978670 1061800806 /nfs/dbraw/zinc/80/08/06/1061800806.db2.gz QQJWAZLGFKTUPY-UHFFFAOYSA-N 1 2 491.600 2.517 20 0 JFADLO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCOC3)n2Cc2c[nH+]ccc2OC)C1 ZINC001294329629 1061849480 /nfs/dbraw/zinc/84/94/80/1061849480.db2.gz LNKPSWDEVATCAH-IPMKNSEASA-N 1 2 456.591 2.755 20 0 JFADLO Cc1ccccc1Cc1nnc(N(C)CC(=O)NC(C)(C)C)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001290146901 1061889309 /nfs/dbraw/zinc/88/93/09/1061889309.db2.gz DLRMXFLOOJVTRQ-UHFFFAOYSA-N 1 2 491.640 2.808 20 0 JFADLO CCCCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2c[nH+]ccc2OC)CC1 ZINC001294358244 1061928786 /nfs/dbraw/zinc/92/87/86/1061928786.db2.gz NQWLIPADYUCEPM-UHFFFAOYSA-N 1 2 451.575 2.868 20 0 JFADLO Cc1ccccc1OCCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001290211196 1061954902 /nfs/dbraw/zinc/95/49/02/1061954902.db2.gz NSGBMSGTDUSAIJ-UHFFFAOYSA-N 1 2 493.612 2.520 20 0 JFADLO CCCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001294393309 1061963146 /nfs/dbraw/zinc/96/31/46/1061963146.db2.gz INNZPFDLKSNDPZ-UHFFFAOYSA-N 1 2 484.649 2.879 20 0 JFADLO CC1=CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC001290231710 1061979484 /nfs/dbraw/zinc/97/94/84/1061979484.db2.gz WWZARUVFSPVLCF-IBGZPJMESA-N 1 2 473.647 2.724 20 0 JFADLO CCCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001294442592 1061993039 /nfs/dbraw/zinc/99/30/39/1061993039.db2.gz PTJUPPUIIUBEKN-GOSISDBHSA-N 1 2 459.595 2.942 20 0 JFADLO O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001290267646 1061998425 /nfs/dbraw/zinc/99/84/25/1061998425.db2.gz PPSONRZMNWMXCB-SFHVURJKSA-N 1 2 456.490 2.915 20 0 JFADLO O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001290267646 1061998433 /nfs/dbraw/zinc/99/84/33/1061998433.db2.gz PPSONRZMNWMXCB-SFHVURJKSA-N 1 2 456.490 2.915 20 0 JFADLO Cc1cn2c([nH+]1)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)CCC2 ZINC001290286871 1062015597 /nfs/dbraw/zinc/01/55/97/1062015597.db2.gz DGYGBCOSOVUFOF-ZWKOTPCHSA-N 1 2 486.621 2.602 20 0 JFADLO CC(C)(C)[NH+]1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001287043561 1062015796 /nfs/dbraw/zinc/01/57/96/1062015796.db2.gz HRGWEWHYUWRXHH-OAQYLSRUSA-N 1 2 459.660 2.809 20 0 JFADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)CCC2 ZINC001290286868 1062015845 /nfs/dbraw/zinc/01/58/45/1062015845.db2.gz DGYGBCOSOVUFOF-MSOLQXFVSA-N 1 2 486.621 2.602 20 0 JFADLO Cc1cn2c([nH+]1)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1ccco1)CCC2 ZINC001290287331 1062016964 /nfs/dbraw/zinc/01/69/64/1062016964.db2.gz LLFCLYVONUVWPN-ULQDDVLXSA-N 1 2 461.592 2.761 20 0 JFADLO CC(C)(C)[NH+]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001287044097 1062018509 /nfs/dbraw/zinc/01/85/09/1062018509.db2.gz PKMHTRWYYFUDFV-SFHVURJKSA-N 1 2 451.662 2.676 20 0 JFADLO CCCN(Cc1ccc(F)cc1C)c1nnc(CN2CCCC2=O)n1CC[N@@H+]1CCOC[C@H]1C ZINC001294535622 1062069228 /nfs/dbraw/zinc/06/92/28/1062069228.db2.gz GUARTOGBCQSSLQ-HXUWFJFHSA-N 1 2 472.609 2.985 20 0 JFADLO CCCN(Cc1ccc(F)cc1C)c1nnc(CN2CCCC2=O)n1CC[N@H+]1CCOC[C@H]1C ZINC001294535622 1062069238 /nfs/dbraw/zinc/06/92/38/1062069238.db2.gz GUARTOGBCQSSLQ-HXUWFJFHSA-N 1 2 472.609 2.985 20 0 JFADLO C[N@@H+]1CCN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001294574173 1062087973 /nfs/dbraw/zinc/08/79/73/1062087973.db2.gz XXNBGUVQEIPPLW-GOSISDBHSA-N 1 2 457.550 2.781 20 0 JFADLO C[N@H+]1CCN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001294574173 1062087997 /nfs/dbraw/zinc/08/79/97/1062087997.db2.gz XXNBGUVQEIPPLW-GOSISDBHSA-N 1 2 457.550 2.781 20 0 JFADLO Cc1nc(Cc2nnc(N(C)CC[NH+]3CCOCC3)n2CC(=O)Nc2c(C)cccc2C)cs1 ZINC001290401613 1062105394 /nfs/dbraw/zinc/10/53/94/1062105394.db2.gz RCAMQCKUFKSTGD-UHFFFAOYSA-N 1 2 483.642 2.658 20 0 JFADLO Cc1nc(CCn2c(C(C)C)nnc2N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)cs1 ZINC001290447864 1062224758 /nfs/dbraw/zinc/22/47/58/1062224758.db2.gz LVUIWUCYGLHHEF-OAQYLSRUSA-N 1 2 461.680 2.640 20 0 JFADLO CCCc1c(C(=O)N2CCC[N@H+](CC(=O)NCC)CC2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001290449233 1062227370 /nfs/dbraw/zinc/22/73/70/1062227370.db2.gz GNDZDTWXHBSDLJ-UHFFFAOYSA-N 1 2 454.619 2.801 20 0 JFADLO CCCc1c(C(=O)N2CCC[N@@H+](CC(=O)NCC)CC2)nnn1-c1ccc(C(C)(C)C)cc1 ZINC001290449233 1062227382 /nfs/dbraw/zinc/22/73/82/1062227382.db2.gz GNDZDTWXHBSDLJ-UHFFFAOYSA-N 1 2 454.619 2.801 20 0 JFADLO Cc1sc2nc(C)nc(SCC(=O)N3CC[C@H](OCC[NH+]4CCOCC4)C3)c2c1C ZINC001294690928 1062250122 /nfs/dbraw/zinc/25/01/22/1062250122.db2.gz NRGARTLHNHUKCD-KRWDZBQOSA-N 1 2 450.630 2.658 20 0 JFADLO Cc1cccc2c1C[C@@H](C(=O)N1CC[C@H](OCC[NH+]3CCOCC3)C1)N2C(=O)OC(C)(C)C ZINC001294691670 1062251123 /nfs/dbraw/zinc/25/11/23/1062251123.db2.gz YHIMFLNXXIKTMO-UGKGYDQZSA-N 1 2 459.587 2.611 20 0 JFADLO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC1(CS(C)(=O)=O)CC1 ZINC001287089309 1062275699 /nfs/dbraw/zinc/27/56/99/1062275699.db2.gz MQTFMIOODCKWFT-RTBURBONSA-N 1 2 481.707 2.942 20 0 JFADLO CC(C)(C)[S@@](=O)CCn1c(C2CCC2)nnc1N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC001287090539 1062282758 /nfs/dbraw/zinc/28/27/58/1062282758.db2.gz XUNLEPNNGBNSHC-TXRXYBTHSA-N 1 2 489.686 2.655 20 0 JFADLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC001290493634 1062283030 /nfs/dbraw/zinc/28/30/30/1062283030.db2.gz RRAHLUVKFLEMAN-HSZRJFAPSA-N 1 2 457.596 2.547 20 0 JFADLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC001290493634 1062283056 /nfs/dbraw/zinc/28/30/56/1062283056.db2.gz RRAHLUVKFLEMAN-HSZRJFAPSA-N 1 2 457.596 2.547 20 0 JFADLO Cc1nc(N2CCN(c3nnc(-c4ccc(Cl)cc4Cl)n3CC(=O)N(C)C)CC2)cc[nH+]1 ZINC001290500985 1062292572 /nfs/dbraw/zinc/29/25/72/1062292572.db2.gz HAPAJMZBPSABTH-UHFFFAOYSA-N 1 2 475.384 2.765 20 0 JFADLO Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001290547235 1062347843 /nfs/dbraw/zinc/34/78/43/1062347843.db2.gz MYJDHRWKBZGIAC-MRXNPFEDSA-N 1 2 473.572 2.855 20 0 JFADLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)cc2)C1=O ZINC001290554283 1062356884 /nfs/dbraw/zinc/35/68/84/1062356884.db2.gz YDJPKVFVOHATNU-IQYKXVSTSA-N 1 2 462.478 2.978 20 0 JFADLO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001287124534 1062382578 /nfs/dbraw/zinc/38/25/78/1062382578.db2.gz IPNCVVODHIAQNI-TZIWHRDSSA-N 1 2 474.675 2.640 20 0 JFADLO CCCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001294835047 1062525822 /nfs/dbraw/zinc/52/58/22/1062525822.db2.gz XJDYFCHLZYJXSI-JOCHJYFZSA-N 1 2 498.672 2.937 20 0 JFADLO CCCNC(=O)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001294835047 1062525847 /nfs/dbraw/zinc/52/58/47/1062525847.db2.gz XJDYFCHLZYJXSI-JOCHJYFZSA-N 1 2 498.672 2.937 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CC[N@H+]2CCOC[C@H]2C)n1 ZINC001290650160 1062549144 /nfs/dbraw/zinc/54/91/44/1062549144.db2.gz XWCBHVVLBZVAPV-HYBUGGRVSA-N 1 2 459.639 2.502 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N3CCO[C@@](C)(C(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@H]2C)n1 ZINC001290650160 1062549163 /nfs/dbraw/zinc/54/91/63/1062549163.db2.gz XWCBHVVLBZVAPV-HYBUGGRVSA-N 1 2 459.639 2.502 20 0 JFADLO CCCNC(=O)CCn1c(-c2ccccn2)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC001294849207 1062549015 /nfs/dbraw/zinc/54/90/15/1062549015.db2.gz JUSNMMDERQRPHP-UHFFFAOYSA-N 1 2 481.576 2.726 20 0 JFADLO CC(C)c1nnc(N(C)C[C@@H](c2cccs2)N2CCOCC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001287175481 1062599295 /nfs/dbraw/zinc/59/92/95/1062599295.db2.gz YMKVJPNZOHGXHB-PMACEKPBSA-N 1 2 462.664 2.693 20 0 JFADLO CC(C)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1C[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001287201541 1062641441 /nfs/dbraw/zinc/64/14/41/1062641441.db2.gz HSWASGCKLYTXKW-HXUWFJFHSA-N 1 2 474.675 2.626 20 0 JFADLO Cc1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1CC(=O)N(C)C1CCCCC1 ZINC001290712369 1062644019 /nfs/dbraw/zinc/64/40/19/1062644019.db2.gz GJQDQHGQVLNDDD-FQEVSTJZSA-N 1 2 460.648 2.949 20 0 JFADLO Cc1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1Cc1cccc(C(=O)N(C)C)c1 ZINC001290712797 1062645220 /nfs/dbraw/zinc/64/52/20/1062645220.db2.gz ICQHDSWQJHTWGF-OAQYLSRUSA-N 1 2 468.627 2.908 20 0 JFADLO Cc1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1CC[C@H](C(F)F)N1CCOCC1 ZINC001290713870 1062646556 /nfs/dbraw/zinc/64/65/56/1062646556.db2.gz SSRGTIYARYLEQA-MOPGFXCFSA-N 1 2 484.617 2.514 20 0 JFADLO Cc1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1CCn1cc(Br)cn1 ZINC001290714188 1062647607 /nfs/dbraw/zinc/64/76/07/1062647607.db2.gz WJFFTCDKXZCAOE-KRWDZBQOSA-N 1 2 480.436 2.817 20 0 JFADLO CC(C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CC[C@H](C(F)F)N1CCOCC1 ZINC001287204358 1062649583 /nfs/dbraw/zinc/64/95/83/1062649583.db2.gz VZFSOKSJGOPSOP-LJQANCHMSA-N 1 2 463.577 2.781 20 0 JFADLO CC(C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1cccc(N(C)C)c1 ZINC001287215481 1062685064 /nfs/dbraw/zinc/68/50/64/1062685064.db2.gz FMLWGTXVPSHSBY-HXUWFJFHSA-N 1 2 453.635 2.649 20 0 JFADLO CC[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)[N@@H+]1CCc2ccccc2C1 ZINC001290814010 1062712487 /nfs/dbraw/zinc/71/24/87/1062712487.db2.gz HNCURHODXDUYEQ-FQEVSTJZSA-N 1 2 457.596 2.743 20 0 JFADLO CC[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)[N@H+]1CCc2ccccc2C1 ZINC001290814010 1062712504 /nfs/dbraw/zinc/71/25/04/1062712504.db2.gz HNCURHODXDUYEQ-FQEVSTJZSA-N 1 2 457.596 2.743 20 0 JFADLO CC(C)[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCOCC2(C)C)CCS1 ZINC001287274592 1062750551 /nfs/dbraw/zinc/75/05/51/1062750551.db2.gz SFRSSOKXYKYYGM-SFHVURJKSA-N 1 2 473.647 2.614 20 0 JFADLO CC(C)[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCOCC2(C)C)CCS1 ZINC001287274592 1062750570 /nfs/dbraw/zinc/75/05/70/1062750570.db2.gz SFRSSOKXYKYYGM-SFHVURJKSA-N 1 2 473.647 2.614 20 0 JFADLO CCCO[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001294986767 1062774466 /nfs/dbraw/zinc/77/44/66/1062774466.db2.gz JHNRKBBTZKTJOR-FQEVSTJZSA-N 1 2 485.633 2.822 20 0 JFADLO CCCO[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001294986767 1062774488 /nfs/dbraw/zinc/77/44/88/1062774488.db2.gz JHNRKBBTZKTJOR-FQEVSTJZSA-N 1 2 485.633 2.822 20 0 JFADLO Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NCC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001294990957 1062779212 /nfs/dbraw/zinc/77/92/12/1062779212.db2.gz INHHVYRDSIJPQB-UHFFFAOYSA-N 1 2 451.614 2.822 20 0 JFADLO CCCS(=O)(=O)NC1CCN(c2nnc(CC)n2Cc2ccc(N3CCC(C)CC3)[nH+]c2)CC1 ZINC001295021412 1062823134 /nfs/dbraw/zinc/82/31/34/1062823134.db2.gz JCOSZCGHGTWWAA-UHFFFAOYSA-N 1 2 489.690 2.818 20 0 JFADLO CC(C)Cc1nnc(N(C)CC(=O)NC(C)(C)C)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001287355223 1062825630 /nfs/dbraw/zinc/82/56/30/1062825630.db2.gz DFMDZVIKMJKVBO-OAQYLSRUSA-N 1 2 456.635 2.729 20 0 JFADLO CC(C)Cc1nnc(N(C)CC(=O)NC(C)(C)C)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001287355223 1062825657 /nfs/dbraw/zinc/82/56/57/1062825657.db2.gz DFMDZVIKMJKVBO-OAQYLSRUSA-N 1 2 456.635 2.729 20 0 JFADLO CC(C)Cc1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1C[C@@]1(C)CN(C)C1=O ZINC001287359092 1062828074 /nfs/dbraw/zinc/82/80/74/1062828074.db2.gz DHOYQHRETQHKFD-FDDCHVKYSA-N 1 2 460.648 2.526 20 0 JFADLO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c2ccccc2O1 ZINC001295027044 1062831261 /nfs/dbraw/zinc/83/12/61/1062831261.db2.gz AMYYSVQTKALZOI-INIZCTEOSA-N 1 2 458.565 2.913 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc([C@@H](C)Oc4ccc(F)cc4)n3CC(C)(C)O)CC2)on1 ZINC001290970436 1062844808 /nfs/dbraw/zinc/84/48/08/1062844808.db2.gz RBLRLUBJAGAVNQ-QGZVFWFLSA-N 1 2 458.538 2.947 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc(CC(C)C)n3CC[C@H](N3CCOCC3)C(F)(F)F)CC2)on1 ZINC001290970455 1062845532 /nfs/dbraw/zinc/84/55/32/1062845532.db2.gz RXUIHFBURAIMFA-FQEVSTJZSA-N 1 2 499.582 2.748 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc(C)n3CC[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)on1 ZINC001290970825 1062846040 /nfs/dbraw/zinc/84/60/40/1062846040.db2.gz VZFDHZZIMJHICZ-IBGZPJMESA-N 1 2 459.595 2.852 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3CC(=O)NCCc3ccccc3)CC2)on1 ZINC001290971372 1062847468 /nfs/dbraw/zinc/84/74/68/1062847468.db2.gz SWYBEYPZWNTQJZ-UHFFFAOYSA-N 1 2 465.602 2.553 20 0 JFADLO COc1ccc([C@@H]2[C@H](C(=O)N3CC[NH+](Cc4cccc(OC)c4)CC3)CCC(=O)N2C)cc1 ZINC001287441259 1062872576 /nfs/dbraw/zinc/87/25/76/1062872576.db2.gz RACAXWVBOGABSH-ILBGXUMGSA-N 1 2 451.567 2.958 20 0 JFADLO CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001287457215 1062896334 /nfs/dbraw/zinc/89/63/34/1062896334.db2.gz SIIZTEZNHFQRPS-LJQANCHMSA-N 1 2 462.639 2.835 20 0 JFADLO CC(C)CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001287586935 1062996466 /nfs/dbraw/zinc/99/64/66/1062996466.db2.gz MBBWHUQPMZCCFZ-UXHICEINSA-N 1 2 480.654 2.790 20 0 JFADLO O=C(NCCOc1ncccc1C(F)(F)F)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC001295225172 1063043649 /nfs/dbraw/zinc/04/36/49/1063043649.db2.gz QJVSSBJDWJHNEJ-KRWDZBQOSA-N 1 2 453.465 2.626 20 0 JFADLO O=C(NCCOc1ncccc1C(F)(F)F)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC001295225172 1063043670 /nfs/dbraw/zinc/04/36/70/1063043670.db2.gz QJVSSBJDWJHNEJ-KRWDZBQOSA-N 1 2 453.465 2.626 20 0 JFADLO CCN(c1nnc(COc2ccc(Br)cc2)n1CC[NH+]1CCN(C(C)=O)CC1)C1CC1 ZINC001295250508 1063069083 /nfs/dbraw/zinc/06/90/83/1063069083.db2.gz OMEJHMUSFJNNSB-UHFFFAOYSA-N 1 2 491.434 2.772 20 0 JFADLO CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC(C)C)cc2)CC1 ZINC001287768786 1063094393 /nfs/dbraw/zinc/09/43/93/1063094393.db2.gz KHENQKRTDLSUGT-OAQYLSRUSA-N 1 2 475.659 2.794 20 0 JFADLO CC(C)CN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1=O ZINC001287768813 1063095049 /nfs/dbraw/zinc/09/50/49/1063095049.db2.gz KQDSJAOBXJZWPO-XLIONFOSSA-N 1 2 476.572 2.668 20 0 JFADLO CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)C(F)(F)F)CC1 ZINC001287770617 1063098365 /nfs/dbraw/zinc/09/83/65/1063098365.db2.gz RBUIKACOCQWJQT-OAHLLOKOSA-N 1 2 451.559 2.547 20 0 JFADLO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C)CC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001291109251 1063104374 /nfs/dbraw/zinc/10/43/74/1063104374.db2.gz IXGVVOLFRAKRHU-RTBURBONSA-N 1 2 455.607 2.711 20 0 JFADLO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001295291365 1063135020 /nfs/dbraw/zinc/13/50/20/1063135020.db2.gz BMKWPQLSCMPPNN-NRFANRHFSA-N 1 2 465.602 2.794 20 0 JFADLO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(Cc2cccnc2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001295292947 1063143191 /nfs/dbraw/zinc/14/31/91/1063143191.db2.gz DRIQBTFFJXMXCU-ZJSXRUAMSA-N 1 2 464.614 2.853 20 0 JFADLO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(Cc2cccnc2)n1CC[N@H+]1CCOC[C@H]1C ZINC001295292947 1063143204 /nfs/dbraw/zinc/14/32/04/1063143204.db2.gz DRIQBTFFJXMXCU-ZJSXRUAMSA-N 1 2 464.614 2.853 20 0 JFADLO CCN(CC)C(=O)CCCn1c(-c2cccn2C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001295319094 1063200325 /nfs/dbraw/zinc/20/03/25/1063200325.db2.gz SUWRFKBGVOGCNV-UHFFFAOYSA-N 1 2 450.591 2.654 20 0 JFADLO C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1Cn1c(-c2ccccn2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001291139594 1063204154 /nfs/dbraw/zinc/20/41/54/1063204154.db2.gz HBFNODHITPUMNC-FPOVZHCZSA-N 1 2 485.633 2.754 20 0 JFADLO C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1(C)C ZINC001291147473 1063233251 /nfs/dbraw/zinc/23/32/51/1063233251.db2.gz YXVJLMWHFDUENR-SFHVURJKSA-N 1 2 455.607 2.909 20 0 JFADLO C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCOC(C)(C)C2)CC1(C)C ZINC001291147473 1063233271 /nfs/dbraw/zinc/23/32/71/1063233271.db2.gz YXVJLMWHFDUENR-SFHVURJKSA-N 1 2 455.607 2.909 20 0 JFADLO C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001291165702 1063250316 /nfs/dbraw/zinc/25/03/16/1063250316.db2.gz PAZRAGSTSGYKLZ-MOPGFXCFSA-N 1 2 462.639 2.960 20 0 JFADLO C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001291165702 1063250340 /nfs/dbraw/zinc/25/03/40/1063250340.db2.gz PAZRAGSTSGYKLZ-MOPGFXCFSA-N 1 2 462.639 2.960 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3F)n2CC2(O)CCCCC2)CC1 ZINC001295335526 1063252886 /nfs/dbraw/zinc/25/28/86/1063252886.db2.gz APOVIAZXLNODAF-UHFFFAOYSA-N 1 2 472.609 2.770 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3OC)n2Cc2c(C)noc2C)CC1 ZINC001295335951 1063254982 /nfs/dbraw/zinc/25/49/82/1063254982.db2.gz JIEPZAWDJQMFBX-UHFFFAOYSA-N 1 2 481.601 2.597 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CSCCS2)CC1 ZINC001295336631 1063258909 /nfs/dbraw/zinc/25/89/09/1063258909.db2.gz TZJKVUNPSGUPBW-GOSISDBHSA-N 1 2 478.688 2.686 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CC(F)(F)F)CC1 ZINC001295337408 1063263320 /nfs/dbraw/zinc/26/33/20/1063263320.db2.gz GDAWGILIPATWGD-UHFFFAOYSA-N 1 2 463.508 2.979 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2CCCC2CCCC2)CC1 ZINC001295338986 1063267140 /nfs/dbraw/zinc/26/71/40/1063267140.db2.gz QVNDMDUEOQTVIJ-UHFFFAOYSA-N 1 2 454.623 2.696 20 0 JFADLO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3cccc(Cl)c3)nnc2N(C)CCS(C)(=O)=O)C[C@@H](C)O1 ZINC001291186374 1063290468 /nfs/dbraw/zinc/29/04/68/1063290468.db2.gz DMRQOJBCFQLPRQ-IAGOWNOFSA-N 1 2 484.066 2.967 20 0 JFADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291186950 1063293123 /nfs/dbraw/zinc/29/31/23/1063293123.db2.gz MKMYJRGYNJYVKT-YESZJQIVSA-N 1 2 499.081 2.751 20 0 JFADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291186950 1063293146 /nfs/dbraw/zinc/29/31/46/1063293146.db2.gz MKMYJRGYNJYVKT-YESZJQIVSA-N 1 2 499.081 2.751 20 0 JFADLO C[C@@H]1CN(c2ccc(Cn3c(N(C)CCc4cnccn4)nnc3C(C)(C)C)c[nH+]2)CCO1 ZINC001291195712 1063334695 /nfs/dbraw/zinc/33/46/95/1063334695.db2.gz WYLQONPTOFMJDQ-GOSISDBHSA-N 1 2 450.591 2.713 20 0 JFADLO CC(C)c1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001291195728 1063335331 /nfs/dbraw/zinc/33/53/31/1063335331.db2.gz XCDLAVMAFAVNKZ-SJLPKXTDSA-N 1 2 495.550 2.575 20 0 JFADLO CCN(CC)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ncc(Cl)n2C)c[nH+]1 ZINC001295409285 1063403142 /nfs/dbraw/zinc/40/31/42/1063403142.db2.gz BXALMSUHZNOMIE-UHFFFAOYSA-N 1 2 474.013 2.729 20 0 JFADLO CCN(CC)c1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCN(CC(F)F)CC2)c[nH+]1 ZINC001295410570 1063405358 /nfs/dbraw/zinc/40/53/58/1063405358.db2.gz LKAYCATZHCREFC-UHFFFAOYSA-N 1 2 499.570 2.602 20 0 JFADLO CCN(CC)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C)O[C@H](C3CC3)C2)c[nH+]1 ZINC001295411815 1063410199 /nfs/dbraw/zinc/41/01/99/1063410199.db2.gz WUAJLTWECVINSL-XLIONFOSSA-N 1 2 455.607 2.710 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3cccn3C)nnc2N2CCC(CNC(C)=O)CC2)c[nH+]1 ZINC001295412588 1063410226 /nfs/dbraw/zinc/41/02/26/1063410226.db2.gz AYDJXMVNYAZRQJ-UHFFFAOYSA-N 1 2 464.618 2.926 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3ccc(OC)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)c[nH+]1 ZINC001295413761 1063414436 /nfs/dbraw/zinc/41/44/36/1063414436.db2.gz QWNMSFAEDLXWBD-OAQYLSRUSA-N 1 2 484.626 2.867 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCC(S(C)(=O)=O)CC2)c[nH+]1 ZINC001295414409 1063416775 /nfs/dbraw/zinc/41/67/75/1063416775.db2.gz HKPGHLBZFKBLMN-UHFFFAOYSA-N 1 2 483.642 2.951 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3n[nH]c(=O)c4ccccc43)nnc2N(C)[C@@H](C)CC(N)=O)c[nH+]1 ZINC001295416243 1063420454 /nfs/dbraw/zinc/42/04/54/1063420454.db2.gz XJMDYQDCSAAABM-INIZCTEOSA-N 1 2 489.584 2.584 20 0 JFADLO CCN(CC)c1ccc(Cn2c(Cc3ccsc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)c[nH+]1 ZINC001295418270 1063423741 /nfs/dbraw/zinc/42/37/41/1063423741.db2.gz DQOOLXHPHWRKKU-IBGZPJMESA-N 1 2 474.656 2.843 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](C(C)C)C2)c[nH+]1 ZINC001295418782 1063427062 /nfs/dbraw/zinc/42/70/62/1063427062.db2.gz FZQRTUSDFCVHTD-WOJBJXKFSA-N 1 2 460.648 2.952 20 0 JFADLO CCN(CC)c1ccc(Cn2c(Cc3ccsc3)nnc2N2CCN(C)C(=O)[C@@H]2C)c[nH+]1 ZINC001295419083 1063427096 /nfs/dbraw/zinc/42/70/96/1063427096.db2.gz MTDWKGZFJYLVGA-KRWDZBQOSA-N 1 2 453.616 2.887 20 0 JFADLO CCN(CC)c1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@H](C(N)=O)C2)c[nH+]1 ZINC001295419110 1063428338 /nfs/dbraw/zinc/42/83/38/1063428338.db2.gz NKCXPTVHQFZUBR-SFHVURJKSA-N 1 2 468.631 2.625 20 0 JFADLO CCN(CC)c1ccc(Cn2c(N3CC[C@@H](C(=O)OC)C3)nnc2[C@]2(OC(C)C)CCOC2)c[nH+]1 ZINC001295420078 1063432757 /nfs/dbraw/zinc/43/27/57/1063432757.db2.gz WGPUEGOUWZNVHS-NLFFAJNJSA-N 1 2 486.617 2.608 20 0 JFADLO CCN(CC)c1ccc(Cn2c(Cc3ccncc3)nnc2N2CC[C@@](C)(C(=O)NC)C2)c[nH+]1 ZINC001295420612 1063435009 /nfs/dbraw/zinc/43/50/09/1063435009.db2.gz UPBXHANTLWKFOZ-RUZDIDTESA-N 1 2 462.602 2.516 20 0 JFADLO C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCCNc2cccc[nH+]2)C[C@@H](C(F)(F)F)O1 ZINC001291235142 1063499473 /nfs/dbraw/zinc/49/94/73/1063499473.db2.gz JFDRRJKUPLYWAU-HOCLYGCPSA-N 1 2 450.469 2.732 20 0 JFADLO O=C(c1cccc(I)c1O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001295515605 1063549655 /nfs/dbraw/zinc/54/96/55/1063549655.db2.gz YUWSHLKOOJFRIY-UHFFFAOYSA-N 1 2 458.340 2.961 20 0 JFADLO C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)CC(C)(C)C1)[NH+]1CCOCC1 ZINC001291277796 1063593249 /nfs/dbraw/zinc/59/32/49/1063593249.db2.gz KDIQIRXXHZQXMR-ZWKOTPCHSA-N 1 2 460.648 2.863 20 0 JFADLO CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001295594196 1063638569 /nfs/dbraw/zinc/63/85/69/1063638569.db2.gz SZVKFPFSEIBWTF-UHFFFAOYSA-N 1 2 458.582 2.791 20 0 JFADLO CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001295594196 1063638586 /nfs/dbraw/zinc/63/85/86/1063638586.db2.gz SZVKFPFSEIBWTF-UHFFFAOYSA-N 1 2 458.582 2.791 20 0 JFADLO CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001295595757 1063640175 /nfs/dbraw/zinc/64/01/75/1063640175.db2.gz ULQIJOVOELJLRF-OAQYLSRUSA-N 1 2 458.582 2.502 20 0 JFADLO CCN(Cc1cnn(C)c1)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001295646911 1063689927 /nfs/dbraw/zinc/68/99/27/1063689927.db2.gz PYNXJKGLKULWMG-UHFFFAOYSA-N 1 2 479.633 2.856 20 0 JFADLO C[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001291301058 1063706964 /nfs/dbraw/zinc/70/69/64/1063706964.db2.gz WFLDZNBVNFXIGN-RTBURBONSA-N 1 2 464.010 2.952 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001291307981 1063726715 /nfs/dbraw/zinc/72/67/15/1063726715.db2.gz DVRAIAOPOHZMOD-RDJZCZTQSA-N 1 2 471.528 2.629 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001291307981 1063726727 /nfs/dbraw/zinc/72/67/27/1063726727.db2.gz DVRAIAOPOHZMOD-RDJZCZTQSA-N 1 2 471.528 2.629 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(Cc2cn3ccccc3n2)nnc1N(C)CCC(F)(F)F ZINC001291308235 1063728101 /nfs/dbraw/zinc/72/81/01/1063728101.db2.gz KJKFCVGZKLLLGB-INIZCTEOSA-N 1 2 451.497 2.626 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(Cc2cn3ccccc3n2)nnc1N(C)CCC(F)(F)F ZINC001291308235 1063728119 /nfs/dbraw/zinc/72/81/19/1063728119.db2.gz KJKFCVGZKLLLGB-INIZCTEOSA-N 1 2 451.497 2.626 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCC1 ZINC001291308359 1063728783 /nfs/dbraw/zinc/72/87/83/1063728783.db2.gz MEWNICIBLRECAU-QUCCMNQESA-N 1 2 478.638 2.544 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC1CCC1 ZINC001291308359 1063728793 /nfs/dbraw/zinc/72/87/93/1063728793.db2.gz MEWNICIBLRECAU-QUCCMNQESA-N 1 2 478.638 2.544 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001291308557 1063729472 /nfs/dbraw/zinc/72/94/72/1063729472.db2.gz PFZSGMLPOBFXHV-KBXCAEBGSA-N 1 2 484.498 2.744 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001291308557 1063729490 /nfs/dbraw/zinc/72/94/90/1063729490.db2.gz PFZSGMLPOBFXHV-KBXCAEBGSA-N 1 2 484.498 2.744 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCC(F)(F)F ZINC001291308644 1063730856 /nfs/dbraw/zinc/73/08/56/1063730856.db2.gz QHJQHTZEHXYTCE-QGZVFWFLSA-N 1 2 482.555 2.561 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCC(F)(F)F ZINC001291308644 1063730867 /nfs/dbraw/zinc/73/08/67/1063730867.db2.gz QHJQHTZEHXYTCE-QGZVFWFLSA-N 1 2 482.555 2.561 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCCOC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001291308688 1063732124 /nfs/dbraw/zinc/73/21/24/1063732124.db2.gz QVCURAXEKIWTBH-TZIWHRDSSA-N 1 2 492.665 2.634 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCCOC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001291308688 1063732138 /nfs/dbraw/zinc/73/21/38/1063732138.db2.gz QVCURAXEKIWTBH-TZIWHRDSSA-N 1 2 492.665 2.634 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CCCO)CC1 ZINC001291309336 1063734779 /nfs/dbraw/zinc/73/47/79/1063734779.db2.gz DOAQNMGMBFXGKU-KSEOMHKRSA-N 1 2 463.667 2.906 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CCCO)CC1 ZINC001291309336 1063734793 /nfs/dbraw/zinc/73/47/93/1063734793.db2.gz DOAQNMGMBFXGKU-KSEOMHKRSA-N 1 2 463.667 2.906 20 0 JFADLO CCN(C[C@@H]1CCCO1)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001295721443 1063735995 /nfs/dbraw/zinc/73/59/95/1063735995.db2.gz GUIAPPAJUORIHC-GBXCKJPGSA-N 1 2 458.607 2.833 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(Br)cc1 ZINC001291310210 1063739420 /nfs/dbraw/zinc/73/94/20/1063739420.db2.gz WFHSAAKIOXALJM-QGZVFWFLSA-N 1 2 491.434 2.520 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(Br)cc1 ZINC001291310210 1063739432 /nfs/dbraw/zinc/73/94/32/1063739432.db2.gz WFHSAAKIOXALJM-QGZVFWFLSA-N 1 2 491.434 2.520 20 0 JFADLO C[C@@H]1CSCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001291312825 1063744283 /nfs/dbraw/zinc/74/42/83/1063744283.db2.gz XKXSXGCAJCNIJG-XOKHGSTOSA-N 1 2 450.559 2.752 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(-c2cnccn2)n1C[C@H](F)COC ZINC001295747446 1063752530 /nfs/dbraw/zinc/75/25/30/1063752530.db2.gz CQFPFZLTTQSKKP-IBGZPJMESA-N 1 2 454.554 2.858 20 0 JFADLO CCC(=O)N[C@H]1CCCN(c2nnc([C@H](C)CC)n2Cc2ccc[nH+]c2N2CCOCC2)C1 ZINC001291334631 1063792472 /nfs/dbraw/zinc/79/24/72/1063792472.db2.gz BYAZBCWMJPUZSA-QUCCMNQESA-N 1 2 455.607 2.567 20 0 JFADLO CCC(=O)N[C@H]1CCCN(c2nnc([C@@H](C)CC)n2Cc2ccc[nH+]c2N2CCOCC2)C1 ZINC001291334630 1063792569 /nfs/dbraw/zinc/79/25/69/1063792569.db2.gz BYAZBCWMJPUZSA-ICSRJNTNSA-N 1 2 455.607 2.567 20 0 JFADLO CC[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001291367841 1063892276 /nfs/dbraw/zinc/89/22/76/1063892276.db2.gz BJDBHHNMQLNGDT-HSZRJFAPSA-N 1 2 474.009 2.694 20 0 JFADLO CCS(=O)(=O)Nc1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c1 ZINC001295868136 1063903601 /nfs/dbraw/zinc/90/36/01/1063903601.db2.gz WUOKUXCCYRURHU-WOJBJXKFSA-N 1 2 451.976 2.903 20 0 JFADLO CCS(=O)(=O)Nc1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c1 ZINC001295868136 1063903620 /nfs/dbraw/zinc/90/36/20/1063903620.db2.gz WUOKUXCCYRURHU-WOJBJXKFSA-N 1 2 451.976 2.903 20 0 JFADLO CCS(=O)(=O)Nc1cccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c1 ZINC001295868133 1063903689 /nfs/dbraw/zinc/90/36/89/1063903689.db2.gz WUOKUXCCYRURHU-PMACEKPBSA-N 1 2 451.976 2.903 20 0 JFADLO CCS(=O)(=O)Nc1cccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001295868133 1063903704 /nfs/dbraw/zinc/90/37/04/1063903704.db2.gz WUOKUXCCYRURHU-PMACEKPBSA-N 1 2 451.976 2.903 20 0 JFADLO CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C)n2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001295880126 1063924014 /nfs/dbraw/zinc/92/40/14/1063924014.db2.gz BVSKUCGFUWAIOA-LJQANCHMSA-N 1 2 462.645 2.884 20 0 JFADLO CC[C@H](C)[C@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001291397455 1063954272 /nfs/dbraw/zinc/95/42/72/1063954272.db2.gz KPYGRCXARNBYRE-AOJNWGRGSA-N 1 2 478.726 2.895 20 0 JFADLO CCn1cc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)cn1 ZINC001295913325 1063965835 /nfs/dbraw/zinc/96/58/35/1063965835.db2.gz CGPPQHIGFFWLKW-OALUTQOASA-N 1 2 472.544 2.663 20 0 JFADLO CC[C@H](C)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1)OC ZINC001291410112 1063985278 /nfs/dbraw/zinc/98/52/78/1063985278.db2.gz SVTTXVGZMOIKRL-NZQKXSOJSA-N 1 2 484.645 2.759 20 0 JFADLO CC[C@H](C)[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cccc[nH+]2)CC1)OC ZINC001291427270 1064010218 /nfs/dbraw/zinc/01/02/18/1064010218.db2.gz IKKNPGAQDLLIPU-XWUOBKMESA-N 1 2 458.607 2.785 20 0 JFADLO CC[C@@H](C)c1nnc(N(C)CC(=O)NC(C)(C)C)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001291436227 1064017081 /nfs/dbraw/zinc/01/70/81/1064017081.db2.gz QOSJCAGAHUWGIX-MSOLQXFVSA-N 1 2 457.623 2.811 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCS(C)(=O)=O)C[C@H]1C ZINC001295980663 1064031103 /nfs/dbraw/zinc/03/11/03/1064031103.db2.gz PHBCZFBVUCMGKH-FGTMMUONSA-N 1 2 467.611 2.911 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCS(C)(=O)=O)C[C@H]1C ZINC001295980663 1064031107 /nfs/dbraw/zinc/03/11/07/1064031107.db2.gz PHBCZFBVUCMGKH-FGTMMUONSA-N 1 2 467.611 2.911 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CCOC)CCCC2)C[C@H]1C ZINC001295993244 1064048242 /nfs/dbraw/zinc/04/82/42/1064048242.db2.gz CHIVJNITOLDLMC-HSALFYBXSA-N 1 2 467.680 2.696 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CCOC)CCCC2)C[C@H]1C ZINC001295993244 1064048249 /nfs/dbraw/zinc/04/82/49/1064048249.db2.gz CHIVJNITOLDLMC-HSALFYBXSA-N 1 2 467.680 2.696 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](OC)c2ccc(F)cc2)C[C@H]1C ZINC001295994870 1064050537 /nfs/dbraw/zinc/05/05/37/1064050537.db2.gz HLRCYHZJOXOAHP-FKPGQJDZSA-N 1 2 479.622 2.626 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](OC)c2ccc(F)cc2)C[C@H]1C ZINC001295994870 1064050544 /nfs/dbraw/zinc/05/05/44/1064050544.db2.gz HLRCYHZJOXOAHP-FKPGQJDZSA-N 1 2 479.622 2.626 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(C)c(OC)c2)C[C@@H]1C ZINC001295998082 1064054744 /nfs/dbraw/zinc/05/47/44/1064054744.db2.gz SVJPPJRZXQKGJX-IRFCIJBXSA-N 1 2 475.659 2.659 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(C)c(OC)c2)C[C@@H]1C ZINC001295998082 1064054753 /nfs/dbraw/zinc/05/47/53/1064054753.db2.gz SVJPPJRZXQKGJX-IRFCIJBXSA-N 1 2 475.659 2.659 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(C)c(OC)c2)C[C@H]1C ZINC001295998083 1064054804 /nfs/dbraw/zinc/05/48/04/1064054804.db2.gz SVJPPJRZXQKGJX-SVFBPWRDSA-N 1 2 475.659 2.659 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(C)c(OC)c2)C[C@H]1C ZINC001295998083 1064054813 /nfs/dbraw/zinc/05/48/13/1064054813.db2.gz SVJPPJRZXQKGJX-SVFBPWRDSA-N 1 2 475.659 2.659 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2CC2(S(C)(=O)=O)CCCC2)C[C@@H]1C ZINC001296006290 1064060825 /nfs/dbraw/zinc/06/08/25/1064060825.db2.gz AIGONYFCKIPIDV-IRXDYDNUSA-N 1 2 480.704 2.910 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2CC2(S(C)(=O)=O)CCCC2)C[C@@H]1C ZINC001296006290 1064060834 /nfs/dbraw/zinc/06/08/34/1064060834.db2.gz AIGONYFCKIPIDV-IRXDYDNUSA-N 1 2 480.704 2.910 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CC2(S(C)(=O)=O)CC2)C[C@@H]1C ZINC001296008294 1064061124 /nfs/dbraw/zinc/06/11/24/1064061124.db2.gz AXVDVVZJQBDPIH-PMACEKPBSA-N 1 2 475.659 2.970 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CC2(S(C)(=O)=O)CC2)C[C@@H]1C ZINC001296008294 1064061127 /nfs/dbraw/zinc/06/11/27/1064061127.db2.gz AXVDVVZJQBDPIH-PMACEKPBSA-N 1 2 475.659 2.970 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001296009241 1064064070 /nfs/dbraw/zinc/06/40/70/1064064070.db2.gz FHPDEYNNWHSFHR-HKBOAZHASA-N 1 2 475.659 2.828 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001296009241 1064064072 /nfs/dbraw/zinc/06/40/72/1064064072.db2.gz FHPDEYNNWHSFHR-HKBOAZHASA-N 1 2 475.659 2.828 20 0 JFADLO CC[N@@H+]1C[C@@H](C)N(c2nnc(CCOc3ccccc3)n2CC2(CS(C)(=O)=O)CC2)C[C@@H]1C ZINC001296012953 1064073486 /nfs/dbraw/zinc/07/34/86/1064073486.db2.gz ZXMRKMGRXCJOCQ-VQTJNVASSA-N 1 2 475.659 2.643 20 0 JFADLO CC[N@H+]1C[C@@H](C)N(c2nnc(CCOc3ccccc3)n2CC2(CS(C)(=O)=O)CC2)C[C@@H]1C ZINC001296012953 1064073498 /nfs/dbraw/zinc/07/34/98/1064073498.db2.gz ZXMRKMGRXCJOCQ-VQTJNVASSA-N 1 2 475.659 2.643 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC[C@@H](NC(C)=O)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001291541973 1064085067 /nfs/dbraw/zinc/08/50/67/1064085067.db2.gz LLCVATNFJNGERQ-BBTUJRGHSA-N 1 2 455.607 2.565 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1CC[S@@](=O)C(C)(C)C ZINC001291568984 1064096273 /nfs/dbraw/zinc/09/62/73/1064096273.db2.gz OMHUNYYSDQZXLL-AYLZSAKASA-N 1 2 468.712 2.719 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1CC[S@@](=O)C(C)(C)C ZINC001291568984 1064096279 /nfs/dbraw/zinc/09/62/79/1064096279.db2.gz OMHUNYYSDQZXLL-AYLZSAKASA-N 1 2 468.712 2.719 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001291593695 1064129608 /nfs/dbraw/zinc/12/96/08/1064129608.db2.gz RUOSYJNMSALRSH-GBESFXJTSA-N 1 2 455.607 2.517 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001291628782 1064171175 /nfs/dbraw/zinc/17/11/75/1064171175.db2.gz OZASKOGMNYKALS-IFMALSPDSA-N 1 2 497.688 2.890 20 0 JFADLO CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@H]1CCC[C@H](O)C1 ZINC001291640384 1064189491 /nfs/dbraw/zinc/18/94/91/1064189491.db2.gz RQAIQXONCQUIHG-CWBXHPNXSA-N 1 2 462.683 2.574 20 0 JFADLO Cc1nc(NCc2cccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCOCC3)c2)cc[nH+]1 ZINC001296114690 1064195886 /nfs/dbraw/zinc/19/58/86/1064195886.db2.gz ZRBYOEQEVZFOEB-QHCPKHFHSA-N 1 2 459.550 2.597 20 0 JFADLO CCN1CCCN(c2nnc(Cn3nc(C)cc3C)n2CCCc2cccc(C)[nH+]2)CC1=O ZINC001296116631 1064196813 /nfs/dbraw/zinc/19/68/13/1064196813.db2.gz HSTNNDHCYYRCIP-UHFFFAOYSA-N 1 2 450.591 2.535 20 0 JFADLO COc1cccc([C@@H](O)C(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)c1 ZINC001291655220 1064207078 /nfs/dbraw/zinc/20/70/78/1064207078.db2.gz ZUPRKJGUGXATOT-XMMPIXPASA-N 1 2 450.514 2.906 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCO[C@H](c3cccc(OC)c3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291661777 1064209238 /nfs/dbraw/zinc/20/92/38/1064209238.db2.gz ISKOCTISYWBIPL-XXBNENTESA-N 1 2 470.618 2.542 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCO[C@@H](c3cccc(OC)c3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291661774 1064209284 /nfs/dbraw/zinc/20/92/84/1064209284.db2.gz ISKOCTISYWBIPL-AUSIDOKSSA-N 1 2 470.618 2.542 20 0 JFADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccccc3OC)nnc2N2CCO[C@](C)(CC)C2)CC1 ZINC001296132243 1064228760 /nfs/dbraw/zinc/22/87/60/1064228760.db2.gz AAQWDLWRWQZXBR-HFZDXXHNSA-N 1 2 486.661 2.897 20 0 JFADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001296133597 1064234444 /nfs/dbraw/zinc/23/44/44/1064234444.db2.gz JNXNFROKTUWPKE-FCHUYYIVSA-N 1 2 456.635 2.725 20 0 JFADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001296135442 1064239158 /nfs/dbraw/zinc/23/91/58/1064239158.db2.gz YKDBSHGABLJDIO-CTNGQTDRSA-N 1 2 496.578 2.959 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001296143244 1064252090 /nfs/dbraw/zinc/25/20/90/1064252090.db2.gz GWEFPOMCTRUKAG-UXHICEINSA-N 1 2 488.658 2.502 20 0 JFADLO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001296143244 1064252097 /nfs/dbraw/zinc/25/20/97/1064252097.db2.gz GWEFPOMCTRUKAG-UXHICEINSA-N 1 2 488.658 2.502 20 0 JFADLO CC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(C)(F)F)cc2)C[C@H]1C ZINC001296158848 1064272320 /nfs/dbraw/zinc/27/23/20/1064272320.db2.gz JJBVXPMPIOKOHU-AEFFLSMTSA-N 1 2 467.586 2.871 20 0 JFADLO CC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(C)(F)F)cc2)C[C@H]1C ZINC001296158848 1064272335 /nfs/dbraw/zinc/27/23/35/1064272335.db2.gz JJBVXPMPIOKOHU-AEFFLSMTSA-N 1 2 467.586 2.871 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(CSc3ccccc3OC)n2CC2(CS(C)(=O)=O)CC2)C[C@@H]1C ZINC001296173572 1064297190 /nfs/dbraw/zinc/29/71/90/1064297190.db2.gz JYFODPBXTAIHDS-SFHVURJKSA-N 1 2 493.699 2.934 20 0 JFADLO CC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2CC2(CS(C)(=O)=O)CC2)C[C@@H]1C ZINC001296173572 1064297213 /nfs/dbraw/zinc/29/72/13/1064297213.db2.gz JYFODPBXTAIHDS-SFHVURJKSA-N 1 2 493.699 2.934 20 0 JFADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)Nc4ccc(C)c(C)c4)n3C[C@@H](C)COC)C2)CC1 ZINC001296174441 1064302125 /nfs/dbraw/zinc/30/21/25/1064302125.db2.gz QPILIONQBQCFGA-AUSIDOKSSA-N 1 2 483.661 2.646 20 0 JFADLO CC[C@H](C)NC(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001291796395 1064304243 /nfs/dbraw/zinc/30/42/43/1064304243.db2.gz JUFZELZWFSCDFQ-SFHVURJKSA-N 1 2 478.601 2.684 20 0 JFADLO CC[C@H](C)NC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001291796562 1064304677 /nfs/dbraw/zinc/30/46/77/1064304677.db2.gz TXDBTAJCAFWCHG-SFHVURJKSA-N 1 2 490.052 2.697 20 0 JFADLO Cc1nc(N2CCN(C(=O)c3cccc(S(=O)(=O)N(C)c4ccccc4)c3)CC2)cc[nH+]1 ZINC001296200815 1064375906 /nfs/dbraw/zinc/37/59/06/1064375906.db2.gz VCCJIPOZYWATRG-UHFFFAOYSA-N 1 2 451.552 2.573 20 0 JFADLO CC[C@@H](C)NC(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001291830253 1064390022 /nfs/dbraw/zinc/39/00/22/1064390022.db2.gz RVHZXQKXHUZMHY-VQIMIIECSA-N 1 2 461.636 2.522 20 0 JFADLO CCNC(=O)C(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001296240571 1064491724 /nfs/dbraw/zinc/49/17/24/1064491724.db2.gz UOBAQCRKJBGRIT-UHFFFAOYSA-N 1 2 462.602 2.835 20 0 JFADLO CC[C@@H](c1nnc(N2CCCN(C(C)=O)CC2)n1C[C@@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC001291881149 1064503295 /nfs/dbraw/zinc/50/32/95/1064503295.db2.gz LYFSMVUUDIRLOK-NFBKMPQASA-N 1 2 454.619 2.599 20 0 JFADLO CC[C@H](c1nnc(N2CCN(C(=O)OC)[C@@H](C)C2)n1C[C@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC001291887890 1064509425 /nfs/dbraw/zinc/50/94/25/1064509425.db2.gz NYWBYLNISYPDDT-ONTIZHBOSA-N 1 2 470.618 2.818 20 0 JFADLO CC[C@@H](c1nnc(N2CC[N@H+](CCOC)[C@@H](CC)C2)n1C[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC001291895739 1064527348 /nfs/dbraw/zinc/52/73/48/1064527348.db2.gz YGXHTSPQNWLKJY-ACIOBRDBSA-N 1 2 489.686 2.802 20 0 JFADLO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@@H](CC)C2)n1C[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC001291895739 1064527360 /nfs/dbraw/zinc/52/73/60/1064527360.db2.gz YGXHTSPQNWLKJY-ACIOBRDBSA-N 1 2 489.686 2.802 20 0 JFADLO CCNC(=O)c1ccc(Cn2c(CC(C)C)nnc2N2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC001296274401 1064543819 /nfs/dbraw/zinc/54/38/19/1064543819.db2.gz SOFGGZPJRPJWKB-UHFFFAOYSA-N 1 2 462.602 2.700 20 0 JFADLO CCC(CC)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1)OC ZINC001291927386 1064546533 /nfs/dbraw/zinc/54/65/33/1064546533.db2.gz XZSALUZJVFUMOK-SFHVURJKSA-N 1 2 461.636 2.522 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](OC)C(C)(C)C2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001292026175 1064679683 /nfs/dbraw/zinc/67/96/83/1064679683.db2.gz LCTUWHGTEYIBHX-MOPGFXCFSA-N 1 2 499.664 2.558 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](OC)C(C)(C)C2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001292026175 1064679690 /nfs/dbraw/zinc/67/96/90/1064679690.db2.gz LCTUWHGTEYIBHX-MOPGFXCFSA-N 1 2 499.664 2.558 20 0 JFADLO COc1cc(/C=C/C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc(Br)c1O ZINC001292057906 1064727702 /nfs/dbraw/zinc/72/77/02/1064727702.db2.gz LPUTXUOVAZBXJJ-PHXNAMCJSA-N 1 2 457.390 2.501 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1Cc1ccc(OC)c(O)c1 ZINC001292072952 1064751359 /nfs/dbraw/zinc/75/13/59/1064751359.db2.gz AGHVBADLHOMPHA-UHFFFAOYSA-N 1 2 493.612 2.983 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1Cc1cc(C)no1 ZINC001292073837 1064752524 /nfs/dbraw/zinc/75/25/24/1064752524.db2.gz JXCNDKKKIUWDPL-UHFFFAOYSA-N 1 2 452.563 2.565 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCc3ccc(OC)cc3C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001292074397 1064754176 /nfs/dbraw/zinc/75/41/76/1064754176.db2.gz FVBIHWRHBNIYNX-UHFFFAOYSA-N 1 2 484.645 2.879 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CC[S@@](=O)C(C)(C)C ZINC001292075515 1064755651 /nfs/dbraw/zinc/75/56/51/1064755651.db2.gz XYLBTXPWKYBSGV-UUWRZZSWSA-N 1 2 489.690 2.767 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCc3ccc(O)cc3C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001292075913 1064756418 /nfs/dbraw/zinc/75/64/18/1064756418.db2.gz UZNZNXIVGDCSKJ-QHCPKHFHSA-N 1 2 484.645 2.822 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001292086131 1064768763 /nfs/dbraw/zinc/76/87/63/1064768763.db2.gz QKIOKKAMWCLBBK-INIZCTEOSA-N 1 2 456.582 2.789 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)NC)C2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001292086190 1064768805 /nfs/dbraw/zinc/76/88/05/1064768805.db2.gz ROXJSFCIXNEOCG-SFHVURJKSA-N 1 2 496.591 2.532 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3nc(C)nc3C)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001292088491 1064772064 /nfs/dbraw/zinc/77/20/64/1064772064.db2.gz FFJWLLSWZSJMRD-OAQYLSRUSA-N 1 2 494.648 2.756 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1CCc1n[nH]c(C)n1 ZINC001292114535 1064828668 /nfs/dbraw/zinc/82/86/68/1064828668.db2.gz BRJREESDFIFGAF-INIZCTEOSA-N 1 2 485.662 2.810 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1CCc1nc(C)n[nH]1 ZINC001292114535 1064828683 /nfs/dbraw/zinc/82/86/83/1064828683.db2.gz BRJREESDFIFGAF-INIZCTEOSA-N 1 2 485.662 2.810 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1Cc1c(C)coc1C ZINC001292122637 1064858325 /nfs/dbraw/zinc/85/83/25/1064858325.db2.gz VINQXFJHVKPSCZ-UHFFFAOYSA-N 1 2 466.590 2.880 20 0 JFADLO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1occc1CS(=O)(=O)c1ccc(Br)cc1 ZINC001292122925 1064859908 /nfs/dbraw/zinc/85/99/08/1064859908.db2.gz YFZQPRIZUMGXMF-HNNXBMFYSA-N 1 2 453.358 2.983 20 0 JFADLO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1occc1CS(=O)(=O)c1ccc(Br)cc1 ZINC001292122925 1064859922 /nfs/dbraw/zinc/85/99/22/1064859922.db2.gz YFZQPRIZUMGXMF-HNNXBMFYSA-N 1 2 453.358 2.983 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1CCc1ccncc1 ZINC001292125360 1064869204 /nfs/dbraw/zinc/86/92/04/1064869204.db2.gz CBPJTLRFXXUDNF-UHFFFAOYSA-N 1 2 482.658 2.921 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1CC1CCOCC1 ZINC001292126566 1064876354 /nfs/dbraw/zinc/87/63/54/1064876354.db2.gz LRDPWKNWVWXXGX-UHFFFAOYSA-N 1 2 475.663 2.710 20 0 JFADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)[C@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC001292182527 1064972685 /nfs/dbraw/zinc/97/26/85/1064972685.db2.gz FKIZICWKVADLCC-FQEVSTJZSA-N 1 2 455.530 2.596 20 0 JFADLO CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1)OC ZINC001292183032 1064973239 /nfs/dbraw/zinc/97/32/39/1064973239.db2.gz CHZHSCLQNPXPRV-AZUAARDMSA-N 1 2 458.607 2.795 20 0 JFADLO CC[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1)OC ZINC001292187858 1064981039 /nfs/dbraw/zinc/98/10/39/1064981039.db2.gz ZWMCBBNWAJRPEZ-LJQANCHMSA-N 1 2 491.036 2.777 20 0 JFADLO CC[C@H](Cn1c(COc2cccc(C)c2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)OC ZINC001292252272 1065034942 /nfs/dbraw/zinc/03/49/42/1065034942.db2.gz PIVNVUOXTCIYSH-FGZHOGPDSA-N 1 2 484.645 2.723 20 0 JFADLO CCC(O)(CC)Cn1c(Cc2ccccc2C)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001292285640 1065059963 /nfs/dbraw/zinc/05/99/63/1065059963.db2.gz JJAMZXYAZFJKFC-VWLOTQADSA-N 1 2 498.716 2.960 20 0 JFADLO O=C(CCNC(=O)c1cc(F)c(F)cc1Br)N1CCN(c2cccc[nH+]2)CC1 ZINC001292373918 1065117121 /nfs/dbraw/zinc/11/71/21/1065117121.db2.gz AFLOECAQXGHLBG-UHFFFAOYSA-N 1 2 453.287 2.591 20 0 JFADLO CC[C@]1(C)CN(c2nnc(COc3ccccc3OC)n2CC[N@@H+]2CCOC[C@H]2C)CCO1 ZINC001292379276 1065123300 /nfs/dbraw/zinc/12/33/00/1065123300.db2.gz JYADZJYRRPLDGT-NTKDMRAZSA-N 1 2 459.591 2.592 20 0 JFADLO CC[C@]1(C)CN(c2nnc(COc3ccccc3OC)n2CC[N@H+]2CCOC[C@H]2C)CCO1 ZINC001292379276 1065123304 /nfs/dbraw/zinc/12/33/04/1065123304.db2.gz JYADZJYRRPLDGT-NTKDMRAZSA-N 1 2 459.591 2.592 20 0 JFADLO CCc1ccc(-c2nnc(N3CC[NH+]([C@@H](C)C(=O)N4CCCC4)CC3)n2C[C@@](C)(O)CC)cc1 ZINC001292518173 1065240364 /nfs/dbraw/zinc/24/03/64/1065240364.db2.gz LYKUATHNTHHCQE-FNZWTVRRSA-N 1 2 468.646 2.801 20 0 JFADLO CCc1ccc(-c2nnc(N3CC[NH+]([C@@H](C)C(=O)N4CCCC4)CC3)n2C[C@](C)(O)CC)cc1 ZINC001292518176 1065241409 /nfs/dbraw/zinc/24/14/09/1065241409.db2.gz LYKUATHNTHHCQE-RXFWQSSRSA-N 1 2 468.646 2.801 20 0 JFADLO CCc1ccc(-c2nnc(N3CC[NH+](Cc4cc(C)no4)CC3)n2CC(=O)NCC(F)F)cc1 ZINC001292520414 1065244981 /nfs/dbraw/zinc/24/49/81/1065244981.db2.gz IQZBEEFWGFADKD-UHFFFAOYSA-N 1 2 473.528 2.507 20 0 JFADLO CCCS(=O)(=O)Nc1cc(NC(=O)[C@@]2([NH+](C)C)COc3ccccc3C2)c(F)cc1F ZINC001292528953 1065255120 /nfs/dbraw/zinc/25/51/20/1065255120.db2.gz VDOWCDDFRWARJP-NRFANRHFSA-N 1 2 453.511 2.991 20 0 JFADLO CCc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)(C)C)CC2)s1 ZINC001292556113 1065273396 /nfs/dbraw/zinc/27/33/96/1065273396.db2.gz PGDYUFPTGUOMGZ-MRXNPFEDSA-N 1 2 451.662 2.773 20 0 JFADLO CCc1ccccc1OCc1nnc(N(CC)[C@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001292591917 1065310603 /nfs/dbraw/zinc/31/06/03/1065310603.db2.gz RWCZEGVEVKMDQB-NRFANRHFSA-N 1 2 473.643 2.695 20 0 JFADLO CCc1ccccc1OCc1nnc(N(CC)[C@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CC=CCC1 ZINC001292591917 1065310612 /nfs/dbraw/zinc/31/06/12/1065310612.db2.gz RWCZEGVEVKMDQB-NRFANRHFSA-N 1 2 473.643 2.695 20 0 JFADLO CCc1ccccc1OCc1nnc(N2CCC[C@@](C)(OC)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001292605341 1065330460 /nfs/dbraw/zinc/33/04/60/1065330460.db2.gz YLHABLJKWLBEAK-HHHXNRCGSA-N 1 2 498.672 2.979 20 0 JFADLO CCc1ccccc1OCc1nnc(N2CCCN(CC)C(=O)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001292608043 1065334449 /nfs/dbraw/zinc/33/44/49/1065334449.db2.gz AIPFRFPLOWEPPP-QFIPXVFZSA-N 1 2 497.688 2.504 20 0 JFADLO CCc1cnc(CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)[NH+]2CCOCC2)s1 ZINC001292647106 1065382612 /nfs/dbraw/zinc/38/26/12/1065382612.db2.gz NJOANMVAVVAPKJ-SFHVURJKSA-N 1 2 458.636 2.516 20 0 JFADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)c3nc(Cl)sc3C)cc2)CC1 ZINC001292705789 1065461587 /nfs/dbraw/zinc/46/15/87/1065461587.db2.gz DLUXLPTUQKOZNK-UHFFFAOYSA-N 1 2 450.992 2.620 20 0 JFADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C[C@H]3CCC4(CCC4)CO3)cc2)CC1 ZINC001292705752 1065461618 /nfs/dbraw/zinc/46/16/18/1065461618.db2.gz CYRPDAWSJVZISV-XMMPIXPASA-N 1 2 457.615 2.628 20 0 JFADLO CCc1nn(C)c(OC)c1Cn1c(-c2ccccc2Cl)nnc1N(C)CC[NH+]1CCOCC1 ZINC001292775539 1065534076 /nfs/dbraw/zinc/53/40/76/1065534076.db2.gz DCGMKEDCFJODJS-UHFFFAOYSA-N 1 2 474.009 2.720 20 0 JFADLO CCc1nn(C)c(OC)c1Cn1c(CC(C)C)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001292778577 1065538674 /nfs/dbraw/zinc/53/86/74/1065538674.db2.gz VVRDKOYEFPONJZ-UHFFFAOYSA-N 1 2 472.663 2.917 20 0 JFADLO CCc1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1CCCN1CCCCC1=O ZINC001292825505 1065567560 /nfs/dbraw/zinc/56/75/60/1065567560.db2.gz OSHFJIBQARGLRK-LJQANCHMSA-N 1 2 460.648 2.814 20 0 JFADLO CCc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001292920236 1065605753 /nfs/dbraw/zinc/60/57/53/1065605753.db2.gz XQCKABHYSRODOM-OAHLLOKOSA-N 1 2 466.512 2.689 20 0 JFADLO CCc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001292920236 1065605762 /nfs/dbraw/zinc/60/57/62/1065605762.db2.gz XQCKABHYSRODOM-OAHLLOKOSA-N 1 2 466.512 2.689 20 0 JFADLO CC(C)(C)OC(=O)N1CCC[C@@H](/C=C\C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)C1 ZINC001292946089 1065628375 /nfs/dbraw/zinc/62/83/75/1065628375.db2.gz GNCFURBWGCZUPV-POGDKVGISA-N 1 2 456.587 2.633 20 0 JFADLO CC(C)(C)OC(=O)N1CCC[C@H](/C=C\C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)C1 ZINC001292946093 1065629065 /nfs/dbraw/zinc/62/90/65/1065629065.db2.gz GNCFURBWGCZUPV-SCEWNMGZSA-N 1 2 456.587 2.633 20 0 JFADLO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC[C@@H](C)CN3CC[NH+](C)CC3)ccc2C)c1 ZINC001292959327 1065637836 /nfs/dbraw/zinc/63/78/36/1065637836.db2.gz UTOWFSJJUDMWBN-LJQANCHMSA-N 1 2 458.628 2.718 20 0 JFADLO COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)/C=C(/C)C[NH+]2CCOCC2)cc1 ZINC001292976436 1065656154 /nfs/dbraw/zinc/65/61/54/1065656154.db2.gz SRHJCHNDHHOJHB-ZZEZOPTASA-N 1 2 451.567 2.909 20 0 JFADLO O=C(C[N@H+]1CCCN(C(=O)[C@@H]2CC(c3ccc(Cl)cc3Cl)=NO2)CC1)N1CCCC1 ZINC001292984706 1065667954 /nfs/dbraw/zinc/66/79/54/1065667954.db2.gz AYUGDSLWTKQYFQ-IBGZPJMESA-N 1 2 453.370 2.643 20 0 JFADLO O=C(C[N@@H+]1CCCN(C(=O)[C@@H]2CC(c3ccc(Cl)cc3Cl)=NO2)CC1)N1CCCC1 ZINC001292984706 1065667957 /nfs/dbraw/zinc/66/79/57/1065667957.db2.gz AYUGDSLWTKQYFQ-IBGZPJMESA-N 1 2 453.370 2.643 20 0 JFADLO CCc1nnc(N2CCC[C@H](c3nc(C(C)C)cs3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001293023674 1065697021 /nfs/dbraw/zinc/69/70/21/1065697021.db2.gz KTXPJHXUAJJSAN-IBGZPJMESA-N 1 2 459.664 2.969 20 0 JFADLO CCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(C(=O)N(CC)CC)cc1 ZINC001293093450 1065741146 /nfs/dbraw/zinc/74/11/46/1065741146.db2.gz GYVRGSSGECKOGV-NRFANRHFSA-N 1 2 495.672 2.504 20 0 JFADLO CCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCCN(C)c1ccccc1F ZINC001293095417 1065745004 /nfs/dbraw/zinc/74/50/04/1065745004.db2.gz RARJLXFTZQEFLY-HXUWFJFHSA-N 1 2 471.625 2.639 20 0 JFADLO CCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1cc(Cl)ccc1OC ZINC001293095913 1065745825 /nfs/dbraw/zinc/74/58/25/1065745825.db2.gz UERHCDNDFGGJII-QGZVFWFLSA-N 1 2 461.010 2.684 20 0 JFADLO CCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCc1ccccc1OC(F)F ZINC001293095902 1065745857 /nfs/dbraw/zinc/74/58/57/1065745857.db2.gz TZFYDBNJRVIJSB-SFHVURJKSA-N 1 2 476.572 2.818 20 0 JFADLO CCc1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001293096317 1065746322 /nfs/dbraw/zinc/74/63/22/1065746322.db2.gz WWHXQHWGQPZBAW-IRXDYDNUSA-N 1 2 467.540 2.582 20 0 JFADLO Nc1c(Cl)ccc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c1Cl ZINC001293107874 1065754020 /nfs/dbraw/zinc/75/40/20/1065754020.db2.gz RJMZZIYFRDJCCX-ZDUSSCGKSA-N 1 2 451.358 2.601 20 0 JFADLO Nc1c(Cl)ccc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1Cl ZINC001293107874 1065754033 /nfs/dbraw/zinc/75/40/33/1065754033.db2.gz RJMZZIYFRDJCCX-ZDUSSCGKSA-N 1 2 451.358 2.601 20 0 JFADLO CCc1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CC(=O)NCCc1ccccc1 ZINC001293109750 1065755319 /nfs/dbraw/zinc/75/53/19/1065755319.db2.gz YMUXNWKWVVYFNN-UHFFFAOYSA-N 1 2 476.629 2.748 20 0 JFADLO CCc1nnc(N2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)n1CC1(COC)CCOCC1 ZINC001293128743 1065779469 /nfs/dbraw/zinc/77/94/69/1065779469.db2.gz ZUDYLQAVLAIPIF-UHFFFAOYSA-N 1 2 461.582 2.754 20 0 JFADLO CCc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CC1CCC(F)(F)CC1 ZINC001293130281 1065780946 /nfs/dbraw/zinc/78/09/46/1065780946.db2.gz FFZKUXOYSQFLGW-FQEVSTJZSA-N 1 2 454.610 2.897 20 0 JFADLO CCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001293130523 1065781605 /nfs/dbraw/zinc/78/16/05/1065781605.db2.gz HVUFDGQTPUQYEI-CQOQZXRMSA-N 1 2 476.710 2.913 20 0 JFADLO CCc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001293161675 1065798899 /nfs/dbraw/zinc/79/88/99/1065798899.db2.gz RYXQQAISHAPQIA-QZTJIDSGSA-N 1 2 459.595 2.653 20 0 JFADLO CCc1noc(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC001293187419 1065813002 /nfs/dbraw/zinc/81/30/02/1065813002.db2.gz JPAMOTNDFACMBP-UHFFFAOYSA-N 1 2 499.591 2.793 20 0 JFADLO CCc1noc(C)c1Cn1c([C@H](C)CC)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001293190134 1065816703 /nfs/dbraw/zinc/81/67/03/1065816703.db2.gz HLSVGOTYRLBPAX-QZTJIDSGSA-N 1 2 457.623 2.832 20 0 JFADLO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(Cl)cc2OC)n1Cc1c[nH+]ccc1OC ZINC001293219634 1065867168 /nfs/dbraw/zinc/86/71/68/1065867168.db2.gz WXTBOSUXMLINGZ-KRWDZBQOSA-N 1 2 456.934 2.774 20 0 JFADLO CC[C@H]1C(=O)NCCN1c1nnc(CSc2ccccc2OC)n1Cc1c[nH+]ccc1OC ZINC001293244319 1065908210 /nfs/dbraw/zinc/90/82/10/1065908210.db2.gz CYATVYFOKGRMGA-KRWDZBQOSA-N 1 2 468.583 2.746 20 0 JFADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCNc1cccc[nH+]1 ZINC001293248008 1065913657 /nfs/dbraw/zinc/91/36/57/1065913657.db2.gz UWGTWBATJYXLSV-QWFCFKBJSA-N 1 2 455.607 2.809 20 0 JFADLO CC[C@@H]1[C@H](C)CCN1c1nnc([C@@H](C)OCCOC)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001293260508 1065923459 /nfs/dbraw/zinc/92/34/59/1065923459.db2.gz YOJYLXLTSNNVTI-URFJDIBFSA-N 1 2 467.680 2.835 20 0 JFADLO CC[C@@H]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001293345252 1065957610 /nfs/dbraw/zinc/95/76/10/1065957610.db2.gz PWWZWXVZOXCVBW-KZNAEPCWSA-N 1 2 475.663 2.738 20 0 JFADLO CN(CCC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001293350005 1065960231 /nfs/dbraw/zinc/96/02/31/1065960231.db2.gz LGHOFYOIVFVSCM-LJQANCHMSA-N 1 2 450.583 2.619 20 0 JFADLO CN(CCC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001293350005 1065960241 /nfs/dbraw/zinc/96/02/41/1065960241.db2.gz LGHOFYOIVFVSCM-LJQANCHMSA-N 1 2 450.583 2.619 20 0 JFADLO Cc1ccc(S(=O)(=O)NC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c2ccccc2)c(C)c1 ZINC001293398855 1065993451 /nfs/dbraw/zinc/99/34/51/1065993451.db2.gz NPOAACZLAQOBSS-RTWAWAEBSA-N 1 2 452.580 2.898 20 0 JFADLO CC[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC001293482086 1066020655 /nfs/dbraw/zinc/02/06/55/1066020655.db2.gz CHTSRMLLYMBMLZ-SLYNCCJLSA-N 1 2 461.632 2.728 20 0 JFADLO CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CC)C1)[NH+]1CCOCC1 ZINC001293482113 1066021033 /nfs/dbraw/zinc/02/10/33/1066021033.db2.gz COWUOGXAGFWTLU-GIVPXCGWSA-N 1 2 467.680 2.554 20 0 JFADLO CCC(CC)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CC)C1)[NH+]1CCOCC1 ZINC001293482445 1066021051 /nfs/dbraw/zinc/02/10/51/1066021051.db2.gz COWUOGXAGFWTLU-HMXCVIKNSA-N 1 2 467.680 2.554 20 0 JFADLO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C[C@@H](C)O1 ZINC001293598156 1066111794 /nfs/dbraw/zinc/11/17/94/1066111794.db2.gz ZFYAVLQYQYZBOS-KRZXBLKESA-N 1 2 479.622 2.626 20 0 JFADLO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C[C@H](C)O1 ZINC001293598158 1066111809 /nfs/dbraw/zinc/11/18/09/1066111809.db2.gz ZFYAVLQYQYZBOS-RCVZYCBYSA-N 1 2 479.622 2.626 20 0 JFADLO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C[C@H](C)O1 ZINC001293598157 1066111822 /nfs/dbraw/zinc/11/18/22/1066111822.db2.gz ZFYAVLQYQYZBOS-QAKNJHSXSA-N 1 2 479.622 2.626 20 0 JFADLO Cn1cc(NS(=O)(=O)c2ccsc2C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC001293626405 1066141200 /nfs/dbraw/zinc/14/12/00/1066141200.db2.gz JNTZUFMLUKERRJ-GOSISDBHSA-N 1 2 459.597 2.677 20 0 JFADLO Cn1cc(NS(=O)(=O)c2ccsc2C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC001293626405 1066141205 /nfs/dbraw/zinc/14/12/05/1066141205.db2.gz JNTZUFMLUKERRJ-GOSISDBHSA-N 1 2 459.597 2.677 20 0 JFADLO CC[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@H](C)O1 ZINC001293635622 1066151835 /nfs/dbraw/zinc/15/18/35/1066151835.db2.gz NYRUIUJEUKTSFD-WMZOPIPTSA-N 1 2 469.615 2.783 20 0 JFADLO CC[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@@H](C)O1 ZINC001293635621 1066151844 /nfs/dbraw/zinc/15/18/44/1066151844.db2.gz NYRUIUJEUKTSFD-SJLPKXTDSA-N 1 2 469.615 2.783 20 0 JFADLO CC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[S@](=O)CC)C[C@H]1[NH+]1CCOCC1 ZINC001293654055 1066166772 /nfs/dbraw/zinc/16/67/72/1066166772.db2.gz WDIIOYGRQKCYML-ZWLHEQCUSA-N 1 2 481.707 2.512 20 0 JFADLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(NCCN2CCOCC2)c(F)c1 ZINC001293699256 1066176691 /nfs/dbraw/zinc/17/66/91/1066176691.db2.gz YGVGTEUJCSRILF-UHFFFAOYSA-N 1 2 456.562 2.963 20 0 JFADLO CCCC(=O)Nc1ccc(Cn2c([C@H]3CCCOC3)nnc2N(C)CC[NH+]2CCOCC2)cc1 ZINC001293732833 1066188716 /nfs/dbraw/zinc/18/87/16/1066188716.db2.gz FOQIEGWXJMGBNL-NRFANRHFSA-N 1 2 470.618 2.727 20 0 JFADLO C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC001293763287 1066249828 /nfs/dbraw/zinc/24/98/28/1066249828.db2.gz IURPBQOIOCHBJS-ZWKOTPCHSA-N 1 2 459.591 2.608 20 0 JFADLO CCCC(=O)NC1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001293775902 1066268990 /nfs/dbraw/zinc/26/89/90/1066268990.db2.gz WZZMPIUQBGAHRS-LJQANCHMSA-N 1 2 472.609 2.614 20 0 JFADLO CCCC(=O)NC1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001293775902 1066269003 /nfs/dbraw/zinc/26/90/03/1066269003.db2.gz WZZMPIUQBGAHRS-LJQANCHMSA-N 1 2 472.609 2.614 20 0 JFADLO C[C@H](CNC(=O)CSc1nc2ccccc2nc1N1C[C@@H](C)O[C@@H](C)C1)Cn1cc[nH+]c1 ZINC001293777071 1066270526 /nfs/dbraw/zinc/27/05/26/1066270526.db2.gz LRQAJDVIHREXNQ-KURKYZTESA-N 1 2 454.600 2.985 20 0 JFADLO C[C@@H](CNC(=O)CSc1nc2ccccc2nc1N1C[C@@H](C)O[C@@H](C)C1)Cn1cc[nH+]c1 ZINC001293777073 1066271064 /nfs/dbraw/zinc/27/10/64/1066271064.db2.gz LRQAJDVIHREXNQ-OKZBNKHCSA-N 1 2 454.600 2.985 20 0 JFADLO CCCC(=O)NC[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CC2([NH+]3CCOCC3)CC2)C1 ZINC001293789102 1066296221 /nfs/dbraw/zinc/29/62/21/1066296221.db2.gz MKTYQKSIBPEUEL-FQEVSTJZSA-N 1 2 460.667 2.864 20 0 JFADLO CCC[C@@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001293817570 1066324890 /nfs/dbraw/zinc/32/48/90/1066324890.db2.gz ISCIPWINULAEFB-PXDATVDWSA-N 1 2 455.651 2.804 20 0 JFADLO CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001293862885 1066372799 /nfs/dbraw/zinc/37/27/99/1066372799.db2.gz KZWCWMSPRRXZOH-RXVVDRJESA-N 1 2 473.622 2.691 20 0 JFADLO CCC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)OC ZINC001293972247 1066474804 /nfs/dbraw/zinc/47/48/04/1066474804.db2.gz PQHLQICUOXIPND-MOPGFXCFSA-N 1 2 470.622 2.593 20 0 JFADLO CCC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC001294069448 1066539661 /nfs/dbraw/zinc/53/96/61/1066539661.db2.gz PZXGGKVRWSLAPF-RXVVDRJESA-N 1 2 496.077 2.970 20 0 JFADLO CCC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC001294069448 1066539666 /nfs/dbraw/zinc/53/96/66/1066539666.db2.gz PZXGGKVRWSLAPF-RXVVDRJESA-N 1 2 496.077 2.970 20 0 JFADLO CCC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CC2(S(C)(=O)=O)CCCC2)CC[N@@H+]1CCOC ZINC001294077430 1066546394 /nfs/dbraw/zinc/54/63/94/1066546394.db2.gz PDCKPMDIBLCAGN-LJQANCHMSA-N 1 2 478.663 2.568 20 0 JFADLO CCC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CC2(S(C)(=O)=O)CCCC2)CC[N@H+]1CCOC ZINC001294077430 1066546406 /nfs/dbraw/zinc/54/64/06/1066546406.db2.gz PDCKPMDIBLCAGN-LJQANCHMSA-N 1 2 478.663 2.568 20 0 JFADLO CCC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccsc2)[NH+](C)C)CCO1 ZINC001294086278 1066556922 /nfs/dbraw/zinc/55/69/22/1066556922.db2.gz KQSXNPXQBSFCDL-OTWHNJEPSA-N 1 2 467.661 2.550 20 0 JFADLO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096438078 130080020 /nfs/dbraw/zinc/08/00/20/130080020.db2.gz GZBRDHIXQIPPTN-YFHOEESVSA-N 1 2 470.595 2.602 20 0 JFADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(F)ccc3Oc3ccc(Cl)nn3)CC2)C1=O ZINC001164644340 719280317 /nfs/dbraw/zinc/28/03/17/719280317.db2.gz JIVKQSDOQPHHKQ-UHFFFAOYSA-N 1 2 463.941 2.821 20 0 JFADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(F)ccc3Oc3ccc(Cl)nn3)CC2)C1=O ZINC001164644340 719280320 /nfs/dbraw/zinc/28/03/20/719280320.db2.gz JIVKQSDOQPHHKQ-UHFFFAOYSA-N 1 2 463.941 2.821 20 0 JFADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(Cl)nc1C(N)=O)CC2 ZINC001164658411 719351959 /nfs/dbraw/zinc/35/19/59/719351959.db2.gz GHYWRVJSCKTASX-UHFFFAOYSA-N 1 2 451.962 2.924 20 0 JFADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(Cl)nc1C(N)=O)CC2 ZINC001164658411 719351962 /nfs/dbraw/zinc/35/19/62/719351962.db2.gz GHYWRVJSCKTASX-UHFFFAOYSA-N 1 2 451.962 2.924 20 0 JFADLO O=S(=O)(c1cccnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1)N1CCCC1 ZINC001164674010 719515207 /nfs/dbraw/zinc/51/52/07/719515207.db2.gz YRNRDSLRICHXPP-UHFFFAOYSA-N 1 2 474.602 2.877 20 0 JFADLO O=S(=O)(c1cccnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1)N1CCCC1 ZINC001164674010 719515223 /nfs/dbraw/zinc/51/52/23/719515223.db2.gz YRNRDSLRICHXPP-UHFFFAOYSA-N 1 2 474.602 2.877 20 0 JFADLO COC(=O)c1cc2cnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nc2n1C ZINC001164671631 719518661 /nfs/dbraw/zinc/51/86/61/719518661.db2.gz GMYDQPBEVKHXLK-UHFFFAOYSA-N 1 2 453.518 2.765 20 0 JFADLO COC(=O)c1cc2cnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nc2n1C ZINC001164671631 719518672 /nfs/dbraw/zinc/51/86/72/719518672.db2.gz GMYDQPBEVKHXLK-UHFFFAOYSA-N 1 2 453.518 2.765 20 0 JFADLO CC1(C)NC(=O)N(Cc2ccc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nc2)C1=O ZINC001164673347 719524411 /nfs/dbraw/zinc/52/44/11/719524411.db2.gz PHNHPZAFTGVCET-UHFFFAOYSA-N 1 2 481.572 2.923 20 0 JFADLO CC1(C)NC(=O)N(Cc2ccc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nc2)C1=O ZINC001164673347 719524421 /nfs/dbraw/zinc/52/44/21/719524421.db2.gz PHNHPZAFTGVCET-UHFFFAOYSA-N 1 2 481.572 2.923 20 0 JFADLO C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164685772 719688156 /nfs/dbraw/zinc/68/81/56/719688156.db2.gz LYQHSHKCBZBLSS-FQEVSTJZSA-N 1 2 487.608 2.559 20 0 JFADLO C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164685772 719688164 /nfs/dbraw/zinc/68/81/64/719688164.db2.gz LYQHSHKCBZBLSS-FQEVSTJZSA-N 1 2 487.608 2.559 20 0 JFADLO C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164685777 719688408 /nfs/dbraw/zinc/68/84/08/719688408.db2.gz LYQHSHKCBZBLSS-HXUWFJFHSA-N 1 2 487.608 2.559 20 0 JFADLO C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164685777 719688416 /nfs/dbraw/zinc/68/84/16/719688416.db2.gz LYQHSHKCBZBLSS-HXUWFJFHSA-N 1 2 487.608 2.559 20 0 JFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C(=O)NCc2ccccc2)cc(Cl)n1 ZINC001164699310 719845221 /nfs/dbraw/zinc/84/52/21/719845221.db2.gz HDXHNSVNFBMFPF-NBGIEHNGSA-N 1 2 487.000 2.898 20 0 JFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)ncc1OCc1ccccc1 ZINC001164706996 719856115 /nfs/dbraw/zinc/85/61/15/719856115.db2.gz ZVLGRRSDLMOMDB-MBSDFSHPSA-N 1 2 460.962 2.942 20 0 JFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncccc1C(=O)N1CCc2ccccc21 ZINC001164706199 719867687 /nfs/dbraw/zinc/86/76/87/719867687.db2.gz PCGPTIJIDIXKEL-FQRUVTKNSA-N 1 2 464.566 2.517 20 0 JFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2c(-c3ccccc3)nsc21 ZINC001164700683 719869291 /nfs/dbraw/zinc/86/92/91/719869291.db2.gz FLKXCWBDFYZOGW-GAJHUEQPSA-N 1 2 453.568 2.986 20 0 JFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C)c(Cc2ccc(OC)cc2)c(C)n1 ZINC001164707634 719876903 /nfs/dbraw/zinc/87/69/03/719876903.db2.gz URSAKSJKUIXENK-RLWLMLJZSA-N 1 2 468.598 2.926 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc3ccc(Cl)cc3nc1Cl)CC2 ZINC001164708401 719902247 /nfs/dbraw/zinc/90/22/47/719902247.db2.gz CLKBAGIDDQFSNR-UHFFFAOYSA-N 1 2 460.369 2.620 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)nc3c(Cl)cccc31)CC2 ZINC001164708710 719905903 /nfs/dbraw/zinc/90/59/03/719905903.db2.gz ILHWHMVCFLWSEJ-UHFFFAOYSA-N 1 2 460.369 2.620 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)cc3c(Cl)ccnc31)CC2 ZINC001164708906 719906906 /nfs/dbraw/zinc/90/69/06/719906906.db2.gz MVNMOILSRNWGDP-UHFFFAOYSA-N 1 2 460.369 2.620 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1ccc([Si](C)(C)C)c(Cl)n1)CC2 ZINC001164708952 719917157 /nfs/dbraw/zinc/91/71/57/719917157.db2.gz OBVPUGXIFCMEGD-UHFFFAOYSA-N 1 2 497.066 2.509 20 0 JFADLO CSc1ccc(Oc2cc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)ncn2)cc1 ZINC001164709063 719918787 /nfs/dbraw/zinc/91/87/87/719918787.db2.gz XEZKVHDBSAKFEF-UHFFFAOYSA-N 1 2 479.610 2.675 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN([C@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)CC2 ZINC001164709026 719931867 /nfs/dbraw/zinc/93/18/67/719931867.db2.gz WNYTVHCLJHZZLE-DEOSSOPVSA-N 1 2 499.978 2.608 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1nc3ccsc3c(Cl)n1)CC2 ZINC001164704159 720047320 /nfs/dbraw/zinc/04/73/20/720047320.db2.gz OBHQBKLHTCECJS-UHFFFAOYSA-N 1 2 481.960 2.573 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)CC2 ZINC001164711593 720049565 /nfs/dbraw/zinc/04/95/65/720049565.db2.gz IPVSDTZFLGJUTJ-UHFFFAOYSA-N 1 2 464.948 2.841 20 0 JFADLO CCO[C@@H]1CN(c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H]2CCCO[C@@H]12 ZINC001164712207 720061696 /nfs/dbraw/zinc/06/16/96/720061696.db2.gz KMBHZCDQBRKEGY-RBZQAINGSA-N 1 2 450.583 2.812 20 0 JFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)C2)C1 ZINC001164721484 720303004 /nfs/dbraw/zinc/30/30/04/720303004.db2.gz HBAUMPJBBJTTJZ-KRWDZBQOSA-N 1 2 470.870 2.964 20 0 JFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)C2)C1 ZINC001164721484 720303009 /nfs/dbraw/zinc/30/30/09/720303009.db2.gz HBAUMPJBBJTTJZ-KRWDZBQOSA-N 1 2 470.870 2.964 20 0 JFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3ccccc3OC)C2)C1 ZINC001164721801 720307991 /nfs/dbraw/zinc/30/79/91/720307991.db2.gz HWOXQQWPSOKMGF-HSZRJFAPSA-N 1 2 475.977 2.596 20 0 JFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3ccccc3OC)C2)C1 ZINC001164721801 720307998 /nfs/dbraw/zinc/30/79/98/720307998.db2.gz HWOXQQWPSOKMGF-HSZRJFAPSA-N 1 2 475.977 2.596 20 0 JFADLO CCOC(=O)c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc1C ZINC001164826591 720357767 /nfs/dbraw/zinc/35/77/67/720357767.db2.gz XJBCBBKRUQTLLW-UHFFFAOYSA-N 1 2 457.600 2.645 20 0 JFADLO CCOC(=O)c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc1C ZINC001164826591 720357777 /nfs/dbraw/zinc/35/77/77/720357777.db2.gz XJBCBBKRUQTLLW-UHFFFAOYSA-N 1 2 457.600 2.645 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5c4COC5(C)C)CC3)C2=O)cs1 ZINC001164826497 720364634 /nfs/dbraw/zinc/36/46/34/720364634.db2.gz WGJWGCABTUAYHF-UHFFFAOYSA-N 1 2 477.034 2.973 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5c4COC5(C)C)CC3)C2=O)cs1 ZINC001164826497 720364643 /nfs/dbraw/zinc/36/46/43/720364643.db2.gz WGJWGCABTUAYHF-UHFFFAOYSA-N 1 2 477.034 2.973 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(C(=O)NC(C)(C)C)ccn4)CC3)C2=O)cs1 ZINC001164819500 720376099 /nfs/dbraw/zinc/37/60/99/720376099.db2.gz FHVRLAMHJBZGCF-UHFFFAOYSA-N 1 2 470.643 2.688 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(C(=O)NC(C)(C)C)ccn4)CC3)C2=O)cs1 ZINC001164819500 720376107 /nfs/dbraw/zinc/37/61/07/720376107.db2.gz FHVRLAMHJBZGCF-UHFFFAOYSA-N 1 2 470.643 2.688 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cnc(Cl)nc1Cl)C2 ZINC001164828577 720432272 /nfs/dbraw/zinc/43/22/72/720432272.db2.gz XSVLDVHJULSJFY-CYBMUJFWSA-N 1 2 477.343 2.514 20 0 JFADLO Cc1cccc2c1nc(Cl)nc2N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164822066 720444655 /nfs/dbraw/zinc/44/46/55/720444655.db2.gz CHTIXGAASRYFBL-KRWDZBQOSA-N 1 2 456.978 2.778 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)nc(Cc3ccccc3)n1)C2 ZINC001164825259 720445454 /nfs/dbraw/zinc/44/54/54/720445454.db2.gz QWNIUIPTQSBTOZ-HXUWFJFHSA-N 1 2 483.016 2.907 20 0 JFADLO CCOC(=O)c1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc2ccccc21 ZINC001164821907 720449580 /nfs/dbraw/zinc/44/95/80/720449580.db2.gz APLKWUSAELMKAB-IBGZPJMESA-N 1 2 479.581 2.598 20 0 JFADLO Cc1cccc2c(Cl)nnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c12 ZINC001164825807 720449845 /nfs/dbraw/zinc/44/98/45/720449845.db2.gz UXMVRZIYZGNTEV-QGZVFWFLSA-N 1 2 456.978 2.778 20 0 JFADLO Cc1ccc(Cl)nc1C(F)(F)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164831302 720460551 /nfs/dbraw/zinc/46/05/51/720460551.db2.gz OLHIKIWTATVNAM-MRXNPFEDSA-N 1 2 455.937 2.774 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(-c3nc(C(C)(C)C)no3)ccn1)C2 ZINC001164831176 720467209 /nfs/dbraw/zinc/46/72/09/720467209.db2.gz NFFSXTKRUKDDRX-LJQANCHMSA-N 1 2 481.601 2.615 20 0 JFADLO CC(C)n1ccc2c1nc(Cl)nc2N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164829976 720468339 /nfs/dbraw/zinc/46/83/39/720468339.db2.gz ILQMTIOQFVRQSY-QGZVFWFLSA-N 1 2 474.009 2.852 20 0 JFADLO CCc1nc2sc3c(c2c(N2Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C2)n1)CCC3 ZINC001164831721 720469339 /nfs/dbraw/zinc/46/93/39/720469339.db2.gz OVVOHHDWEGXBOZ-KRWDZBQOSA-N 1 2 482.654 2.929 20 0 JFADLO Cc1c(Cl)nc(C(C)(C)C)nc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164830025 720471251 /nfs/dbraw/zinc/47/12/51/720471251.db2.gz IUBGONJXGKVEKD-KRWDZBQOSA-N 1 2 463.026 2.922 20 0 JFADLO CC(C)c1ccc2ncnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c2c1 ZINC001164828755 720472501 /nfs/dbraw/zinc/47/25/01/720472501.db2.gz AKFCWMRQNYBFAI-HXUWFJFHSA-N 1 2 450.587 2.939 20 0 JFADLO Cc1ccc(-c2nc3c(ncnc3N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)o2)cc1 ZINC001164828802 720472835 /nfs/dbraw/zinc/47/28/35/720472835.db2.gz AYDVUNLGULWKPO-HXUWFJFHSA-N 1 2 489.580 2.779 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(-c3cccc(Cl)c3)ncn1)C2 ZINC001164832254 720474192 /nfs/dbraw/zinc/47/41/92/720474192.db2.gz RWAXCRVTISTXQJ-LJQANCHMSA-N 1 2 468.989 2.983 20 0 JFADLO CCOc1ccc(-c2ccc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nn2)cc1 ZINC001164832655 720475049 /nfs/dbraw/zinc/47/50/49/720475049.db2.gz VCEVJMHTQSXDMD-NRFANRHFSA-N 1 2 478.597 2.728 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nnc(Cl)c3ccc(F)cc31)C2 ZINC001164830436 720476799 /nfs/dbraw/zinc/47/67/99/720476799.db2.gz BQVGWBAFVCRRIS-OAHLLOKOSA-N 1 2 460.941 2.608 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(-c3ccncc3)nc3sccc31)C2 ZINC001164833544 720478294 /nfs/dbraw/zinc/47/82/94/720478294.db2.gz PUNBZVFQQRGLFO-LJQANCHMSA-N 1 2 491.621 2.939 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(-c3ccncc3)nc3sccc31)C2 ZINC001164833543 720478534 /nfs/dbraw/zinc/47/85/34/720478534.db2.gz PUNBZVFQQRGLFO-IBGZPJMESA-N 1 2 491.621 2.939 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(-c3ccccn3)nc3sccc31)C2 ZINC001164832814 720478558 /nfs/dbraw/zinc/47/85/58/720478558.db2.gz LFGDWACQPCHBCN-GOSISDBHSA-N 1 2 491.621 2.939 20 0 JFADLO O=C(c1cccnc1N1C[C@@H]2CN(Cc3ccncc3)C(=O)[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164853113 720812023 /nfs/dbraw/zinc/81/20/23/720812023.db2.gz POFUYEIHFAPWIJ-AOYPEHQESA-N 1 2 496.615 2.529 20 0 JFADLO O=C(NCCc1ccccc1)[C@@]12COC[C@@H]1CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164852050 720815544 /nfs/dbraw/zinc/81/55/44/720815544.db2.gz MOJWKOBWDQRKHX-OUTSHDOLSA-N 1 2 483.616 2.847 20 0 JFADLO O=C(NCCc1ccccc1)[C@@]12COC[C@@H]1CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164852050 720815546 /nfs/dbraw/zinc/81/55/46/720815546.db2.gz MOJWKOBWDQRKHX-OUTSHDOLSA-N 1 2 483.616 2.847 20 0 JFADLO O=C(c1cccnc1N1C[C@H](OCc2cccnc2)[C@H]2COC[C@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164764364 721006856 /nfs/dbraw/zinc/00/68/56/721006856.db2.gz ZORTWUDCTXIIJD-VJGNERBWSA-N 1 2 499.615 2.855 20 0 JFADLO O=C(c1cccnc1N1C[C@H](OCc2cccnc2)[C@H]2COC[C@@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164764363 721007003 /nfs/dbraw/zinc/00/70/03/721007003.db2.gz ZORTWUDCTXIIJD-QKDODKLFSA-N 1 2 499.615 2.855 20 0 JFADLO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncccc4S(=O)(=O)Nc4cccc(F)c4)C[C@H]3C2)cn1 ZINC001164770118 721219437 /nfs/dbraw/zinc/21/94/37/721219437.db2.gz NETRKSFKRZOQSF-RBUKOAKNSA-N 1 2 470.574 2.713 20 0 JFADLO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncccc4S(=O)(=O)Nc4cccc(F)c4)C[C@H]3C2)cn1 ZINC001164770118 721219443 /nfs/dbraw/zinc/21/94/43/721219443.db2.gz NETRKSFKRZOQSF-RBUKOAKNSA-N 1 2 470.574 2.713 20 0 JFADLO O=S(=O)(c1ccccc1)N1C[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]2C1 ZINC001164877693 721306866 /nfs/dbraw/zinc/30/68/66/721306866.db2.gz JJAIWMZBUSGYBX-SZPZYZBQSA-N 1 2 475.618 2.792 20 0 JFADLO O=S(=O)(c1ccccc1)N1C[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]2C1 ZINC001164877693 721306868 /nfs/dbraw/zinc/30/68/68/721306868.db2.gz JJAIWMZBUSGYBX-SZPZYZBQSA-N 1 2 475.618 2.792 20 0 JFADLO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164790007 721397282 /nfs/dbraw/zinc/39/72/82/721397282.db2.gz WBDFKDWEEHQRRT-KBPBESRZSA-N 1 2 456.950 2.536 20 0 JFADLO O=C1CO[C@]2(CN1c1ccsc1)COCCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164796078 721593761 /nfs/dbraw/zinc/59/37/61/721593761.db2.gz BOJSCKSVCSTMMK-AREMUKBSSA-N 1 2 491.617 2.735 20 0 JFADLO O=C1CO[C@]2(CN1c1ccsc1)COCCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164796078 721593763 /nfs/dbraw/zinc/59/37/63/721593763.db2.gz BOJSCKSVCSTMMK-AREMUKBSSA-N 1 2 491.617 2.735 20 0 JFADLO CCOC(Cc1c(Cl)ncnc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1)OCC ZINC001165011692 721703406 /nfs/dbraw/zinc/70/34/06/721703406.db2.gz WBPVOFVVKKBQDP-UHFFFAOYSA-N 1 2 452.003 2.914 20 0 JFADLO CCOC(Cc1c(Cl)ncnc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1)OCC ZINC001165011692 721703410 /nfs/dbraw/zinc/70/34/10/721703410.db2.gz WBPVOFVVKKBQDP-UHFFFAOYSA-N 1 2 452.003 2.914 20 0 JFADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1cnc(Cl)cc1Cl)CC2 ZINC001165015009 721765337 /nfs/dbraw/zinc/76/53/37/721765337.db2.gz LQHUWIOHPBZZSL-UHFFFAOYSA-N 1 2 470.311 2.856 20 0 JFADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)Oc1cc(Cl)nc(Cl)c1)CC2 ZINC001165015581 721765930 /nfs/dbraw/zinc/76/59/30/721765930.db2.gz SBBIZRLFWYHRGX-UHFFFAOYSA-N 1 2 486.310 2.736 20 0 JFADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1ccc(Cl)c(Cl)n1)CC2 ZINC001165016767 721766292 /nfs/dbraw/zinc/76/62/92/721766292.db2.gz YKKSARPRGIOXIJ-UHFFFAOYSA-N 1 2 470.311 2.856 20 0 JFADLO COC(=O)c1ccc2nc(Cl)c(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2c1 ZINC001164911941 721770800 /nfs/dbraw/zinc/77/08/00/721770800.db2.gz IRHRUTDZKWJHKI-DEOSSOPVSA-N 1 2 483.956 2.573 20 0 JFADLO COC(=O)c1ccc2nc(Cl)c(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2c1 ZINC001164911941 721770806 /nfs/dbraw/zinc/77/08/06/721770806.db2.gz IRHRUTDZKWJHKI-DEOSSOPVSA-N 1 2 483.956 2.573 20 0 JFADLO CCOC(=O)c1c(C)nc(Cl)cc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164910382 721777272 /nfs/dbraw/zinc/77/72/72/721777272.db2.gz BLGKBNQWFZILFJ-QHCPKHFHSA-N 1 2 460.962 2.723 20 0 JFADLO CCOC(=O)c1c(C)nc(Cl)cc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164910382 721777274 /nfs/dbraw/zinc/77/72/74/721777274.db2.gz BLGKBNQWFZILFJ-QHCPKHFHSA-N 1 2 460.962 2.723 20 0 JFADLO CCOC(=O)c1c(C)cc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164910244 721777374 /nfs/dbraw/zinc/77/73/74/721777374.db2.gz AUBXCTXNULBYSD-QHCPKHFHSA-N 1 2 460.962 2.723 20 0 JFADLO CCOC(=O)c1c(C)cc(Cl)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164910244 721777377 /nfs/dbraw/zinc/77/73/77/721777377.db2.gz AUBXCTXNULBYSD-QHCPKHFHSA-N 1 2 460.962 2.723 20 0 JFADLO Clc1nc(-c2ccccc2)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912431 721778045 /nfs/dbraw/zinc/77/80/45/721778045.db2.gz LWROPCMGVIDSMP-HSZRJFAPSA-N 1 2 452.946 2.695 20 0 JFADLO Clc1nc(-c2ccccc2)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912431 721778047 /nfs/dbraw/zinc/77/80/47/721778047.db2.gz LWROPCMGVIDSMP-HSZRJFAPSA-N 1 2 452.946 2.695 20 0 JFADLO FC(F)(COc1ccnc(Cl)c1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164917086 721781346 /nfs/dbraw/zinc/78/13/46/721781346.db2.gz WRCOMXHOIJOWPG-FQEVSTJZSA-N 1 2 454.905 2.705 20 0 JFADLO FC(F)(COc1ccnc(Cl)c1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164917086 721781350 /nfs/dbraw/zinc/78/13/50/721781350.db2.gz WRCOMXHOIJOWPG-FQEVSTJZSA-N 1 2 454.905 2.705 20 0 JFADLO FC(F)(COc1ccnc(Cl)c1)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164917090 721781749 /nfs/dbraw/zinc/78/17/49/721781749.db2.gz WRCOMXHOIJOWPG-HXUWFJFHSA-N 1 2 454.905 2.705 20 0 JFADLO FC(F)(COc1ccnc(Cl)c1)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164917090 721781752 /nfs/dbraw/zinc/78/17/52/721781752.db2.gz WRCOMXHOIJOWPG-HXUWFJFHSA-N 1 2 454.905 2.705 20 0 JFADLO COc1cc2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2cc1OC ZINC001164914925 721788164 /nfs/dbraw/zinc/78/81/64/721788164.db2.gz IEWDPRIYTDYQTI-VWLOTQADSA-N 1 2 450.539 2.755 20 0 JFADLO COc1cc2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2cc1OC ZINC001164914925 721788171 /nfs/dbraw/zinc/78/81/71/721788171.db2.gz IEWDPRIYTDYQTI-VWLOTQADSA-N 1 2 450.539 2.755 20 0 JFADLO CC(C)(C)c1noc(-c2ccnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2)n1 ZINC001164916331 721791802 /nfs/dbraw/zinc/79/18/02/721791802.db2.gz QABFIKVUZQTNRA-VWLOTQADSA-N 1 2 464.570 2.932 20 0 JFADLO CC(C)(C)c1noc(-c2ccnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2)n1 ZINC001164916331 721791803 /nfs/dbraw/zinc/79/18/03/721791803.db2.gz QABFIKVUZQTNRA-VWLOTQADSA-N 1 2 464.570 2.932 20 0 JFADLO c1ccc2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c(N3CCCC3)nc2c1 ZINC001164913178 721793223 /nfs/dbraw/zinc/79/32/23/721793223.db2.gz AKCQAZCQQDBRGO-AREMUKBSSA-N 1 2 460.582 2.733 20 0 JFADLO c1ccc2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c(N3CCCC3)nc2c1 ZINC001164913178 721793226 /nfs/dbraw/zinc/79/32/26/721793226.db2.gz AKCQAZCQQDBRGO-AREMUKBSSA-N 1 2 460.582 2.733 20 0 JFADLO O=C(OCc1ccccc1)c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164914449 721796491 /nfs/dbraw/zinc/79/64/91/721796491.db2.gz NJXBIPQFDKWWAD-MHZLTWQESA-N 1 2 474.561 2.941 20 0 JFADLO O=C(OCc1ccccc1)c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164914449 721796495 /nfs/dbraw/zinc/79/64/95/721796495.db2.gz NJXBIPQFDKWWAD-MHZLTWQESA-N 1 2 474.561 2.941 20 0 JFADLO Fc1cccc(F)c1-c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164915759 721797198 /nfs/dbraw/zinc/79/71/98/721797198.db2.gz ZKDKHGKTJXRAIA-XMMPIXPASA-N 1 2 453.493 2.925 20 0 JFADLO Fc1cccc(F)c1-c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164915759 721797202 /nfs/dbraw/zinc/79/72/02/721797202.db2.gz ZKDKHGKTJXRAIA-XMMPIXPASA-N 1 2 453.493 2.925 20 0 JFADLO COc1ccc(-c2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)c(OC)c1 ZINC001164913241 721797275 /nfs/dbraw/zinc/79/72/75/721797275.db2.gz BPLFVTJNRPQUFL-SANMLTNESA-N 1 2 477.565 2.664 20 0 JFADLO COc1ccc(-c2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)c(OC)c1 ZINC001164913241 721797277 /nfs/dbraw/zinc/79/72/77/721797277.db2.gz BPLFVTJNRPQUFL-SANMLTNESA-N 1 2 477.565 2.664 20 0 JFADLO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913890 721799764 /nfs/dbraw/zinc/79/97/64/721799764.db2.gz IHGMBNBWATZUOF-OAQYLSRUSA-N 1 2 497.930 2.875 20 0 JFADLO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913890 721799766 /nfs/dbraw/zinc/79/97/66/721799766.db2.gz IHGMBNBWATZUOF-OAQYLSRUSA-N 1 2 497.930 2.875 20 0 JFADLO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915765 721800868 /nfs/dbraw/zinc/80/08/68/721800868.db2.gz ZPQQIJXBENHRIN-OAQYLSRUSA-N 1 2 497.930 2.875 20 0 JFADLO O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915765 721800869 /nfs/dbraw/zinc/80/08/69/721800869.db2.gz ZPQQIJXBENHRIN-OAQYLSRUSA-N 1 2 497.930 2.875 20 0 JFADLO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914704 721801966 /nfs/dbraw/zinc/80/19/66/721801966.db2.gz QPINGLLMJICLPS-FQEVSTJZSA-N 1 2 496.971 2.873 20 0 JFADLO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914704 721801967 /nfs/dbraw/zinc/80/19/67/721801967.db2.gz QPINGLLMJICLPS-FQEVSTJZSA-N 1 2 496.971 2.873 20 0 JFADLO CC[C@@H]1C(=O)N(C)c2cnc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)nc2N1C1CCCC1 ZINC001164916835 721815738 /nfs/dbraw/zinc/81/57/38/721815738.db2.gz IDORFYRKXFLECQ-HXUWFJFHSA-N 1 2 478.645 2.927 20 0 JFADLO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(N4CCN(c5ccccc5F)CC4)[nH+]cn3)C[C@H]21 ZINC001164950951 721958409 /nfs/dbraw/zinc/95/84/09/721958409.db2.gz YGOICFISXLTLBN-DNQXCXABSA-N 1 2 493.587 2.637 20 0 JFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1c(Cl)nc(N3CCOCC3)nc1Cl)CC2 ZINC001164945090 721975259 /nfs/dbraw/zinc/97/52/59/721975259.db2.gz CBEAWJYDEJSWOP-UHFFFAOYSA-N 1 2 491.423 2.591 20 0 JFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1c(Cl)nc(N3CCOCC3)nc1Cl)CC2 ZINC001164945090 721975261 /nfs/dbraw/zinc/97/52/61/721975261.db2.gz CBEAWJYDEJSWOP-UHFFFAOYSA-N 1 2 491.423 2.591 20 0 JFADLO Cc1cc2nc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nc(N3CCOCC3)c2s1 ZINC001164948439 721975496 /nfs/dbraw/zinc/97/54/96/721975496.db2.gz ZFLMTPZSCMWHJL-UHFFFAOYSA-N 1 2 492.649 2.807 20 0 JFADLO Cc1cc2nc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nc(N3CCOCC3)c2s1 ZINC001164948439 721975499 /nfs/dbraw/zinc/97/54/99/721975499.db2.gz ZFLMTPZSCMWHJL-UHFFFAOYSA-N 1 2 492.649 2.807 20 0 JFADLO COC(=O)c1nc(Cl)c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c(Cl)n1 ZINC001164951026 721981523 /nfs/dbraw/zinc/98/15/23/721981523.db2.gz WWFWZBSIOSRCEI-UHFFFAOYSA-N 1 2 464.353 2.541 20 0 JFADLO COC(=O)c1nc(Cl)c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c(Cl)n1 ZINC001164951026 721981529 /nfs/dbraw/zinc/98/15/29/721981529.db2.gz WWFWZBSIOSRCEI-UHFFFAOYSA-N 1 2 464.353 2.541 20 0 JFADLO O=C(c1cccnc1N1CCc2onc(Cn3cccn3)c2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164960477 722050268 /nfs/dbraw/zinc/05/02/68/722050268.db2.gz OXTULMXPQSNFID-UHFFFAOYSA-N 1 2 483.576 2.835 20 0 JFADLO c1coc(CN=c2ccnc([C@@H]3COCCN3)n2-c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)c1 ZINC001164986903 722173172 /nfs/dbraw/zinc/17/31/72/722173172.db2.gz LZGWVJNJDKRGNI-DEOSSOPVSA-N 1 2 483.576 2.575 20 0 JFADLO c1coc(CN=c2ccnc([C@@H]3COCCN3)n2-c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)c1 ZINC001164986903 722173177 /nfs/dbraw/zinc/17/31/77/722173177.db2.gz LZGWVJNJDKRGNI-DEOSSOPVSA-N 1 2 483.576 2.575 20 0 JFADLO Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC001264963906 1059741647 /nfs/dbraw/zinc/74/16/47/1059741647.db2.gz KCABFOZNIWRZCY-UHFFFAOYSA-N 1 2 456.528 2.727 20 0 JFADLO CC(C)c1ccc(OCCC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cc1 ZINC001265019259 1059752743 /nfs/dbraw/zinc/75/27/43/1059752743.db2.gz RSSPXIKUQGGZMM-NRFANRHFSA-N 1 2 453.587 2.991 20 0 JFADLO CC(C)c1ccc(OCCC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC001265019259 1059752763 /nfs/dbraw/zinc/75/27/63/1059752763.db2.gz RSSPXIKUQGGZMM-NRFANRHFSA-N 1 2 453.587 2.991 20 0 JFADLO CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001265019308 1059753842 /nfs/dbraw/zinc/75/38/42/1059753842.db2.gz TVLBEAWBJIIGFM-PKOBYXMFSA-N 1 2 459.978 2.909 20 0 JFADLO CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001265019308 1059753861 /nfs/dbraw/zinc/75/38/61/1059753861.db2.gz TVLBEAWBJIIGFM-PKOBYXMFSA-N 1 2 459.978 2.909 20 0 JFADLO O=C(c1cc(F)c(C(F)(F)F)cc1F)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001265420332 1059852247 /nfs/dbraw/zinc/85/22/47/1059852247.db2.gz RWDDCWPLTAYZMM-UHFFFAOYSA-N 1 2 457.403 2.573 20 0 JFADLO O=C(c1cc(F)c(C(F)(F)F)cc1F)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001265420332 1059852276 /nfs/dbraw/zinc/85/22/76/1059852276.db2.gz RWDDCWPLTAYZMM-UHFFFAOYSA-N 1 2 457.403 2.573 20 0 JFADLO CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3cccc(C)c3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001286847924 1061162075 /nfs/dbraw/zinc/16/20/75/1061162075.db2.gz CNEUSIBSWDBXJE-QFIPXVFZSA-N 1 2 477.613 2.979 20 0 JFADLO CC(=O)N1CC[C@H](CN(C)c2nnc(CCc3ccccc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001286849279 1061170809 /nfs/dbraw/zinc/17/08/09/1061170809.db2.gz MDGOGYGEDFICPI-HSZRJFAPSA-N 1 2 461.614 2.877 20 0 JFADLO CC(=O)N1CC[C@H](CN(C)c2nnc(CC(C)C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001286849487 1061172536 /nfs/dbraw/zinc/17/25/36/1061172536.db2.gz CEEDINOGJMEDLQ-RPWUZVMVSA-N 1 2 468.646 2.682 20 0 JFADLO CC(=O)N1CC[C@H](CN(C)c2nnc(CC(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001286849487 1061172544 /nfs/dbraw/zinc/17/25/44/1061172544.db2.gz CEEDINOGJMEDLQ-RPWUZVMVSA-N 1 2 468.646 2.682 20 0 JFADLO CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001286853292 1061197309 /nfs/dbraw/zinc/19/73/09/1061197309.db2.gz YVZFNBQFICTECV-RXVVDRJESA-N 1 2 475.037 2.548 20 0 JFADLO CC(=O)N1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001286863901 1061240219 /nfs/dbraw/zinc/24/02/19/1061240219.db2.gz ZCHNIEJGOKPBRM-IBGZPJMESA-N 1 2 488.608 2.727 20 0 JFADLO CC(=O)N1CCCN(c2nnc(-c3ccccn3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001286865184 1061245443 /nfs/dbraw/zinc/24/54/43/1061245443.db2.gz XAKKGMWPWBJRLD-NRFANRHFSA-N 1 2 469.540 2.980 20 0 JFADLO CC(=O)N1CCCN(c2nnc(-c3ccccn3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001286865185 1061245543 /nfs/dbraw/zinc/24/55/43/1061245543.db2.gz XAKKGMWPWBJRLD-OAQYLSRUSA-N 1 2 469.540 2.980 20 0 JFADLO Cc1ccc(-c2nnc(N3CC[NH+](C[C@H]4CN(C(C)C)CCO4)CC3)n2CCOC(C)(C)C)o1 ZINC001289602161 1061248369 /nfs/dbraw/zinc/24/83/69/1061248369.db2.gz MCRYVONPHHBPTB-NRFANRHFSA-N 1 2 474.650 2.893 20 0 JFADLO Cc1ccc(CCn2c(N(C)CC[NH+]3CCOCC3)nnc2[C@@]2(OC(C)C)CCOC2)c(C)c1 ZINC001289630333 1061265160 /nfs/dbraw/zinc/26/51/60/1061265160.db2.gz RKAQGTPPRZPPOA-AREMUKBSSA-N 1 2 471.646 2.947 20 0 JFADLO CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001286880341 1061302554 /nfs/dbraw/zinc/30/25/54/1061302554.db2.gz QCUXXSMDYLWPDK-VQTJNVASSA-N 1 2 462.545 2.769 20 0 JFADLO Cc1ccc(NC(=O)c2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)cc1C ZINC001289721582 1061327974 /nfs/dbraw/zinc/32/79/74/1061327974.db2.gz MENLRELONSBYOV-UHFFFAOYSA-N 1 2 499.660 2.609 20 0 JFADLO Cc1ccc(NC(=O)c2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[N@H+]2CCOC(C)(C)C2)cc1C ZINC001289721582 1061327991 /nfs/dbraw/zinc/32/79/91/1061327991.db2.gz MENLRELONSBYOV-UHFFFAOYSA-N 1 2 499.660 2.609 20 0 JFADLO Cc1ccc(NC(=O)c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@](C)(O)c2ccsc2)cc1C ZINC001289726520 1061335250 /nfs/dbraw/zinc/33/52/50/1061335250.db2.gz JLNDCWSZMBVSSN-RUZDIDTESA-N 1 2 498.653 2.885 20 0 JFADLO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1C ZINC001289729083 1061338977 /nfs/dbraw/zinc/33/89/77/1061338977.db2.gz LUIPAOZSLFBYPT-BGYRXZFFSA-N 1 2 470.618 2.872 20 0 JFADLO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC[N@H+]2CCOC(C)(C)C2)cc1C ZINC001289729083 1061338995 /nfs/dbraw/zinc/33/89/95/1061338995.db2.gz LUIPAOZSLFBYPT-BGYRXZFFSA-N 1 2 470.618 2.872 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccn3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001286889426 1061347859 /nfs/dbraw/zinc/34/78/59/1061347859.db2.gz GQFUVCOJLPBBCY-GOSISDBHSA-N 1 2 483.567 2.904 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(CCCO)CC2)CC1 ZINC001286889399 1061348048 /nfs/dbraw/zinc/34/80/48/1061348048.db2.gz FRJLKQVZVPYLPV-UHFFFAOYSA-N 1 2 489.064 2.675 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(CCOc3ccccc3)nnc2N2C[C@@H](C)CC[C@@H]2C)CC1 ZINC001286889899 1061352582 /nfs/dbraw/zinc/35/25/82/1061352582.db2.gz MRVPFBBYUBFXPP-SFTDATJTSA-N 1 2 454.619 2.689 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](c3noc(C(C)C)n3)C2)CC1 ZINC001286889965 1061353013 /nfs/dbraw/zinc/35/30/13/1061353013.db2.gz KWVPCQGAGBQXPI-HXUWFJFHSA-N 1 2 486.665 2.921 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3csc(C)n3)nnc2N(C)Cc2ccc(F)cc2F)CC1 ZINC001286890483 1061354980 /nfs/dbraw/zinc/35/49/80/1061354980.db2.gz RBNOUAHUAGCCCL-UHFFFAOYSA-N 1 2 489.596 2.713 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3ccccc3F)nnc2N2C[C@H](C)CC[C@@H]2C)CC1 ZINC001286890566 1061355631 /nfs/dbraw/zinc/35/56/31/1061355631.db2.gz SMQZCXRXCVYVBT-MOPGFXCFSA-N 1 2 458.582 2.785 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3cccnc3)nnc2N(C)[C@@H](C)c2ccccc2C)CC1 ZINC001286890642 1061356001 /nfs/dbraw/zinc/35/60/01/1061356001.db2.gz SBCMVBCTBOHPQS-NRFANRHFSA-N 1 2 461.614 2.934 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(N(C)C[C@H](C)c3ccccc3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001286891014 1061357993 /nfs/dbraw/zinc/35/79/93/1061357993.db2.gz XZRIZYAMOAVJEL-WXVAWEFUSA-N 1 2 498.672 2.723 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(C3CC3)nnc2N(C)Cc2cc(Br)cs2)CC1 ZINC001286892680 1061366270 /nfs/dbraw/zinc/36/62/70/1061366270.db2.gz ZNUBNLWSAZEFSC-UHFFFAOYSA-N 1 2 467.437 2.780 20 0 JFADLO Cc1ccc(NC(=O)c2nnc(N3CCOC[C@@H]3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1C ZINC001289748121 1061368016 /nfs/dbraw/zinc/36/80/16/1061368016.db2.gz XHELZAPYKBZNSB-UNMCSNQZSA-N 1 2 470.618 2.729 20 0 JFADLO Cc1ccc(O[C@@H](C)Cn2c(Cc3cccnc3)nnc2N(C)CC[NH+]2CCOCC2)cc1 ZINC001289761976 1061384425 /nfs/dbraw/zinc/38/44/25/1061384425.db2.gz DHPWUVCUIQDRLK-NRFANRHFSA-N 1 2 450.587 2.808 20 0 JFADLO Cc1ccc(OCc2nnc(N(C)Cc3cnn(C)c3)n2CC[N@H+]2CCOC[C@H]2C)cc1C ZINC001289783189 1061407667 /nfs/dbraw/zinc/40/76/67/1061407667.db2.gz UNELEAFITWWDBG-HXUWFJFHSA-N 1 2 453.591 2.565 20 0 JFADLO Cc1ccc(OCc2nnc(N(C)Cc3cnn(C)c3)n2CC[N@@H+]2CCOC[C@H]2C)cc1C ZINC001289783189 1061407678 /nfs/dbraw/zinc/40/76/78/1061407678.db2.gz UNELEAFITWWDBG-HXUWFJFHSA-N 1 2 453.591 2.565 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2C[C@@H](C)[NH+]2CCOCC2)cc1C ZINC001289805799 1061444627 /nfs/dbraw/zinc/44/46/27/1061444627.db2.gz TZIMLWGVOJDFRN-JOCHJYFZSA-N 1 2 498.672 2.936 20 0 JFADLO CC(=O)NC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001286915878 1061496352 /nfs/dbraw/zinc/49/63/52/1061496352.db2.gz DWDBSMIFQADTHS-ROUUACIJSA-N 1 2 491.036 2.897 20 0 JFADLO CC(=O)NC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001286915878 1061496363 /nfs/dbraw/zinc/49/63/63/1061496363.db2.gz DWDBSMIFQADTHS-ROUUACIJSA-N 1 2 491.036 2.897 20 0 JFADLO CC(=O)NC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001286915877 1061496466 /nfs/dbraw/zinc/49/64/66/1061496466.db2.gz DWDBSMIFQADTHS-QZTJIDSGSA-N 1 2 491.036 2.897 20 0 JFADLO CC(=O)NC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001286915877 1061496476 /nfs/dbraw/zinc/49/64/76/1061496476.db2.gz DWDBSMIFQADTHS-QZTJIDSGSA-N 1 2 491.036 2.897 20 0 JFADLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)C1 ZINC001289835707 1061512723 /nfs/dbraw/zinc/51/27/23/1061512723.db2.gz KCVUHNPSAFUPIU-HOTGVXAUSA-N 1 2 450.630 2.945 20 0 JFADLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)C1 ZINC001289835709 1061512770 /nfs/dbraw/zinc/51/27/70/1061512770.db2.gz KCVUHNPSAFUPIU-HZPDHXFCSA-N 1 2 450.630 2.945 20 0 JFADLO CC(=O)NCC1CCN(c2nnc(COc3ccc(C)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001286936151 1061576717 /nfs/dbraw/zinc/57/67/17/1061576717.db2.gz WCBOXZJZROGPGE-UHFFFAOYSA-N 1 2 497.688 2.544 20 0 JFADLO CC(=O)NCC1CCN(c2nnc(COc3ccc(C)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001286936151 1061576735 /nfs/dbraw/zinc/57/67/35/1061576735.db2.gz WCBOXZJZROGPGE-UHFFFAOYSA-N 1 2 497.688 2.544 20 0 JFADLO Cc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001289893256 1061578300 /nfs/dbraw/zinc/57/83/00/1061578300.db2.gz GCRJMBMAAPWSON-QFIPXVFZSA-N 1 2 469.634 2.599 20 0 JFADLO Cc1cccc([C@@H](Cn2c(C3CC3)nnc2N(C)CCNC(=O)C(C)C)[NH+]2CCOCC2)c1 ZINC001289893567 1061578751 /nfs/dbraw/zinc/57/87/51/1061578751.db2.gz ILGCOQNKDMNVLP-JOCHJYFZSA-N 1 2 454.619 2.746 20 0 JFADLO Cc1cccc([C@H](Cn2c(CC(C)C)nnc2N2CC[C@@](C)(C(N)=O)C2)[NH+]2CCOCC2)c1 ZINC001289894872 1061580788 /nfs/dbraw/zinc/58/07/88/1061580788.db2.gz ZNBSWHZTQUTSHT-SQJMNOBHSA-N 1 2 454.619 2.560 20 0 JFADLO Cc1cccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@](C)(O)c2ccccc2Cl)n1 ZINC001289932601 1061626891 /nfs/dbraw/zinc/62/68/91/1061626891.db2.gz WIAFTMQROAAXNH-XMMPIXPASA-N 1 2 471.005 2.978 20 0 JFADLO Cc1cccc(-c2nnc(N(CCS(C)(=O)=O)C3CC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC001289938670 1061630093 /nfs/dbraw/zinc/63/00/93/1061630093.db2.gz ZNXPVFIFNFGQKS-RTBURBONSA-N 1 2 490.674 2.550 20 0 JFADLO CCCCCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC001294164065 1061652902 /nfs/dbraw/zinc/65/29/02/1061652902.db2.gz HSAGKMPSQWHZRI-UHFFFAOYSA-N 1 2 469.634 2.643 20 0 JFADLO Cc1cccc(-c2nnc(N3CC[NH+]([C@H](C)C(=O)N4CCCC4)CC3)n2C[C@@](C)(O)CCC(C)C)n1 ZINC001289981336 1061703855 /nfs/dbraw/zinc/70/38/55/1061703855.db2.gz SJWNHIBOSJLXDW-AMGIVPHBSA-N 1 2 497.688 2.969 20 0 JFADLO Cc1ncc(C[NH+]2CCN(c3nnc(-c4cccc(C)n4)n3CCCNC(=O)C(C)C)CC2)s1 ZINC001289985226 1061709279 /nfs/dbraw/zinc/70/92/79/1061709279.db2.gz HOPYBBFRQAGNCC-UHFFFAOYSA-N 1 2 482.658 2.898 20 0 JFADLO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc([C@H]2CCOC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001286958023 1061723328 /nfs/dbraw/zinc/72/33/28/1061723328.db2.gz WGGXOFYDEUJNKJ-FQEVSTJZSA-N 1 2 483.642 2.804 20 0 JFADLO Cc1cccc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(F)F)C2)[nH+]1 ZINC001290004206 1061730719 /nfs/dbraw/zinc/73/07/19/1061730719.db2.gz YOIXFLORBNZBQC-HOTGVXAUSA-N 1 2 456.563 2.706 20 0 JFADLO Cc1cccc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C(F)F)C2)[nH+]1 ZINC001290004210 1061730955 /nfs/dbraw/zinc/73/09/55/1061730955.db2.gz YOIXFLORBNZBQC-JKSUJKDBSA-N 1 2 456.563 2.706 20 0 JFADLO Cc1cccc(CCCn2c(-c3ccc(Cl)cc3)nnc2N(C)CCNS(C)(=O)=O)[nH+]1 ZINC001290006788 1061731386 /nfs/dbraw/zinc/73/13/86/1061731386.db2.gz DBZGNQMZLREPLS-UHFFFAOYSA-N 1 2 463.007 2.920 20 0 JFADLO Cc1cccc(CCCn2c(-c3ccc(-n4cnnn4)cc3)nnc2N(C)CC(=O)NC(C)(C)C)[nH+]1 ZINC001290007648 1061732101 /nfs/dbraw/zinc/73/21/01/1061732101.db2.gz ILSFXEPXLPFDHC-UHFFFAOYSA-N 1 2 488.600 2.608 20 0 JFADLO Cc1cccc(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CC(C)C)C(C)C)[nH+]1 ZINC001290008966 1061732704 /nfs/dbraw/zinc/73/27/04/1061732704.db2.gz FNPLBBPRHKVQLX-NRFANRHFSA-N 1 2 478.663 2.818 20 0 JFADLO Cc1cccc(CCCn2c([C@@H]3COc4ccccc4O3)nnc2N(C)CCCS(C)(=O)=O)[nH+]1 ZINC001290009465 1061733908 /nfs/dbraw/zinc/73/39/08/1061733908.db2.gz MYOWTOHPLMBQTH-QFIPXVFZSA-N 1 2 485.610 2.998 20 0 JFADLO Cc1cccc(CCCn2c(CCOc3ccccc3)nnc2N2CCCN(S(C)(=O)=O)CC2)[nH+]1 ZINC001290009770 1061734332 /nfs/dbraw/zinc/73/43/32/1061734332.db2.gz UWXDHJTUTCOXGP-UHFFFAOYSA-N 1 2 498.653 2.708 20 0 JFADLO Cc1cccc(CCn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC[NH+]2CCOCC2)n1 ZINC001290016891 1061740334 /nfs/dbraw/zinc/74/03/34/1061740334.db2.gz NHSFELRUXIFPMW-UHFFFAOYSA-N 1 2 474.407 2.750 20 0 JFADLO Cc1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC001290017172 1061741427 /nfs/dbraw/zinc/74/14/27/1061741427.db2.gz QYQBUDSZTGEPPK-UHFFFAOYSA-N 1 2 465.577 2.824 20 0 JFADLO Cc1cccc(CCn2c(CNC(=O)c3cccs3)nnc2N(C)CC[NH+]2CCOCC2)c1 ZINC001290022798 1061744510 /nfs/dbraw/zinc/74/45/10/1061744510.db2.gz DXZMAFBANOCFOM-UHFFFAOYSA-N 1 2 468.627 2.589 20 0 JFADLO C[C@@H](C(=O)N1CCCC1)N1CCN(c2nnc(CC(C)(C)C)n2CCCNc2cccc[nH+]2)CC1 ZINC001286972760 1061756018 /nfs/dbraw/zinc/75/60/18/1061756018.db2.gz VWTKAHQAHZOKTM-NRFANRHFSA-N 1 2 482.677 2.897 20 0 JFADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC[C@@H]2CCCCO2)CC1 ZINC001286973006 1061757869 /nfs/dbraw/zinc/75/78/69/1061757869.db2.gz YKXUOIAMQLAXDE-RTWAWAEBSA-N 1 2 460.667 2.959 20 0 JFADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC(C)(C)O)CC1 ZINC001286973826 1061764594 /nfs/dbraw/zinc/76/45/94/1061764594.db2.gz XCFSDMGQUALFRA-INIZCTEOSA-N 1 2 461.010 2.549 20 0 JFADLO Cc1cccc(OCc2nnc(N(C)C[C@H](c3cccs3)[NH+]3CCOCC3)n2CC(=O)N(C)C)c1 ZINC001290046767 1061765858 /nfs/dbraw/zinc/76/58/58/1061765858.db2.gz KCIKGWBPCFKULJ-OAQYLSRUSA-N 1 2 498.653 2.825 20 0 JFADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001286975946 1061779715 /nfs/dbraw/zinc/77/97/15/1061779715.db2.gz DULCYLFNSRTHLQ-QZTJIDSGSA-N 1 2 471.631 2.585 20 0 JFADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(F)cc2)n1CC[N@H+]1CC=CCC1 ZINC001286976596 1061785515 /nfs/dbraw/zinc/78/55/15/1061785515.db2.gz JIONEQXJKWQCRE-MSOLQXFVSA-N 1 2 465.595 2.516 20 0 JFADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(F)cc2)n1CC[N@@H+]1CC=CCC1 ZINC001286976596 1061785537 /nfs/dbraw/zinc/78/55/37/1061785537.db2.gz JIONEQXJKWQCRE-MSOLQXFVSA-N 1 2 465.595 2.516 20 0 JFADLO C[C@H]([C@H](C)N(C)c1nnc(CC2CC2)n1Cc1cc[nH+]c(N2CCCCC2)c1)S(C)(=O)=O ZINC001286977677 1061792730 /nfs/dbraw/zinc/79/27/30/1061792730.db2.gz OBRJZZGEXJBCHK-ZWKOTPCHSA-N 1 2 460.648 2.922 20 0 JFADLO O=C(CNC(=O)N1CCc2ccccc2C1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001290082423 1061811232 /nfs/dbraw/zinc/81/12/32/1061811232.db2.gz YIUJQSWYTXLSGG-UHFFFAOYSA-N 1 2 456.974 2.631 20 0 JFADLO Cc1ccccc1-c1nnc(N2CCC(S(C)(=O)=O)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001290120692 1061850926 /nfs/dbraw/zinc/85/09/26/1061850926.db2.gz PVEMCNXUGFXKAV-UHFFFAOYSA-N 1 2 454.600 2.776 20 0 JFADLO CC(C)(C)c1ccc(OCc2nnc(N3CC[NH+](C4CCC4)CC3)n2CCS(C)(=O)=O)cc1 ZINC001286989222 1061880169 /nfs/dbraw/zinc/88/01/69/1061880169.db2.gz MNBRLGBAKREFFW-UHFFFAOYSA-N 1 2 475.659 2.874 20 0 JFADLO Cc1ccccc1Cc1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290145105 1061882572 /nfs/dbraw/zinc/88/25/72/1061882572.db2.gz HKOUWLMTIOHGFA-MBDNFAEBSA-N 1 2 491.702 2.934 20 0 JFADLO Cc1ccccc1Cc1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290145105 1061882585 /nfs/dbraw/zinc/88/25/85/1061882585.db2.gz HKOUWLMTIOHGFA-MBDNFAEBSA-N 1 2 491.702 2.934 20 0 JFADLO Cc1ccccc1Cc1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001290151474 1061892466 /nfs/dbraw/zinc/89/24/66/1061892466.db2.gz AQHIPJZEMKHSSR-GOSISDBHSA-N 1 2 458.010 2.921 20 0 JFADLO CCCCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001294358730 1061930061 /nfs/dbraw/zinc/93/00/61/1061930061.db2.gz PRTGNIYVKGPOPE-UHFFFAOYSA-N 1 2 464.618 2.926 20 0 JFADLO CCCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001294400629 1061968648 /nfs/dbraw/zinc/96/86/48/1061968648.db2.gz XFYRRYNNNHLUII-LJQANCHMSA-N 1 2 490.052 2.943 20 0 JFADLO CCCCOCCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001294403061 1061971152 /nfs/dbraw/zinc/97/11/52/1061971152.db2.gz OZLVRZMHUOMRRO-QFIPXVFZSA-N 1 2 483.661 2.988 20 0 JFADLO CC(C)(C)Cc1nnc(N2CCC(OCC(N)=O)CC2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001287026487 1061972633 /nfs/dbraw/zinc/97/26/33/1061972633.db2.gz YJEWOKCSGVRQRJ-UHFFFAOYSA-N 1 2 469.634 2.771 20 0 JFADLO Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC001294446123 1061995134 /nfs/dbraw/zinc/99/51/34/1061995134.db2.gz AAWRRAXALWRLIW-OAQYLSRUSA-N 1 2 453.539 2.789 20 0 JFADLO COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CC[NH+](Cc4cc(C)ccc4OC)CC3)C2)c1 ZINC001290267129 1061997640 /nfs/dbraw/zinc/99/76/40/1061997640.db2.gz CAWBBXVXXGIUJJ-XMMPIXPASA-N 1 2 453.539 2.858 20 0 JFADLO Cc1cn2c([nH+]1)[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCc1cccs1)CCC2 ZINC001290286906 1062015432 /nfs/dbraw/zinc/01/54/32/1062015432.db2.gz FJVYVVHOTKMBEW-IAGOWNOFSA-N 1 2 477.660 2.711 20 0 JFADLO CC(C)(C)[NH+]1CCN(c2nnc(Cc3ccncc3)n2CC2(S(C)(=O)=O)CCCC2)CC1 ZINC001287044499 1062019640 /nfs/dbraw/zinc/01/96/40/1062019640.db2.gz SIJPQGCOZCZNQC-UHFFFAOYSA-N 1 2 460.648 2.542 20 0 JFADLO CC(C)(C)[NH+]1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001287044551 1062019893 /nfs/dbraw/zinc/01/98/93/1062019893.db2.gz UGGGZKCCJDYZSE-OAQYLSRUSA-N 1 2 459.660 2.809 20 0 JFADLO CC(C)(C)[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(Cl)c2)CC1 ZINC001287045198 1062022753 /nfs/dbraw/zinc/02/27/53/1062022753.db2.gz ZTNFOVPXTKEHBW-QGZVFWFLSA-N 1 2 452.024 2.802 20 0 JFADLO CCCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1([NH+]2CCOCC2)CC1 ZINC001294498313 1062036017 /nfs/dbraw/zinc/03/60/17/1062036017.db2.gz SBEJUMDHWHIXGC-IBGZPJMESA-N 1 2 478.638 2.688 20 0 JFADLO COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC001290351944 1062062976 /nfs/dbraw/zinc/06/29/76/1062062976.db2.gz DJYQFCLTQXIHMU-AVRDEDQJSA-N 1 2 454.571 2.855 20 0 JFADLO COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC001290351944 1062062995 /nfs/dbraw/zinc/06/29/95/1062062995.db2.gz DJYQFCLTQXIHMU-AVRDEDQJSA-N 1 2 454.571 2.855 20 0 JFADLO CCCN(Cc1ccc(F)cc1F)c1nnc([C@@H]2CCOC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001294537902 1062070498 /nfs/dbraw/zinc/07/04/98/1062070498.db2.gz LJSDWTORDHNYAX-HXUWFJFHSA-N 1 2 476.572 2.641 20 0 JFADLO Cc1nc(C)c(Cn2c(C(C)C)nnc2N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)s1 ZINC001290371927 1062075484 /nfs/dbraw/zinc/07/54/84/1062075484.db2.gz MSWYWSDESCRZKJ-FQEVSTJZSA-N 1 2 461.680 2.754 20 0 JFADLO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001287058873 1062087176 /nfs/dbraw/zinc/08/71/76/1062087176.db2.gz NUJLAMKPZMTOBK-RTBURBONSA-N 1 2 478.638 2.734 20 0 JFADLO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001287058873 1062087202 /nfs/dbraw/zinc/08/72/02/1062087202.db2.gz NUJLAMKPZMTOBK-RTBURBONSA-N 1 2 478.638 2.734 20 0 JFADLO Cc1nc(Cc2nnc(N(C)CC(F)(F)F)n2Cc2ccc(N3CCOCC3)[nH+]c2)cs1 ZINC001290391784 1062094163 /nfs/dbraw/zinc/09/41/63/1062094163.db2.gz ZDHUYANULSAEMY-UHFFFAOYSA-N 1 2 467.521 2.912 20 0 JFADLO CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNc2cccc[nH+]2)C1 ZINC001287062254 1062104152 /nfs/dbraw/zinc/10/41/52/1062104152.db2.gz AMFKBRRTERWZJR-IBGZPJMESA-N 1 2 498.632 2.762 20 0 JFADLO Cc1nc(Cc2nnc(N(C)CC[NH+]3CCOCC3)n2Cc2ccc(OC(C)C)nc2)cs1 ZINC001290401650 1062106529 /nfs/dbraw/zinc/10/65/29/1062106529.db2.gz RXMGRLASQIKDPQ-UHFFFAOYSA-N 1 2 471.631 2.633 20 0 JFADLO Cc1nc(Cc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCCNc2cccc[nH+]2)cs1 ZINC001290423191 1062164699 /nfs/dbraw/zinc/16/46/99/1062164699.db2.gz HRFAZKACQPHMBV-QGZVFWFLSA-N 1 2 454.604 2.623 20 0 JFADLO Cc1nc(Cc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)cs1 ZINC001290425525 1062174102 /nfs/dbraw/zinc/17/41/02/1062174102.db2.gz YWPUUPPFRAZSGK-HNAYVOBHSA-N 1 2 489.596 2.917 20 0 JFADLO Cc1nc(Cc2nnc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)n2CC[S@](=O)C(C)(C)C)cs1 ZINC001290428076 1062179826 /nfs/dbraw/zinc/17/98/26/1062179826.db2.gz CROXRTSTZLVKJD-FPYOTAMTSA-N 1 2 494.731 2.730 20 0 JFADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 ZINC001294660021 1062208501 /nfs/dbraw/zinc/20/85/01/1062208501.db2.gz MFGPMSFHXNRBDA-MRXNPFEDSA-N 1 2 450.992 2.953 20 0 JFADLO Cc1ccc([C@@](O)(CC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C(F)(F)F)o1 ZINC001290463564 1062247094 /nfs/dbraw/zinc/24/70/94/1062247094.db2.gz PFIUHGINWUVPFM-NRFANRHFSA-N 1 2 453.461 2.947 20 0 JFADLO Cc1ccc([C@](O)(CC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C(F)(F)F)o1 ZINC001290463565 1062247850 /nfs/dbraw/zinc/24/78/50/1062247850.db2.gz PFIUHGINWUVPFM-OAQYLSRUSA-N 1 2 453.461 2.947 20 0 JFADLO CC(C)c1ncc(OCc2ccccc2)c(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)n1 ZINC001294691174 1062250655 /nfs/dbraw/zinc/25/06/55/1062250655.db2.gz QUXGWVRGDOCQBR-NRFANRHFSA-N 1 2 454.571 2.742 20 0 JFADLO CC(C)c1ncc(OCc2ccccc2)c(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)n1 ZINC001294691175 1062250739 /nfs/dbraw/zinc/25/07/39/1062250739.db2.gz QUXGWVRGDOCQBR-OAQYLSRUSA-N 1 2 454.571 2.742 20 0 JFADLO Cc1nc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CC(C)(C)[NH+]2CCOCC2)cs1 ZINC001290468312 1062255042 /nfs/dbraw/zinc/25/50/42/1062255042.db2.gz ICCHMKRAEJRZKK-GOSISDBHSA-N 1 2 461.636 2.634 20 0 JFADLO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1CCS(C)(=O)=O ZINC001287087522 1062268345 /nfs/dbraw/zinc/26/83/45/1062268345.db2.gz CSNOQSUAFSKQNS-FGZHOGPDSA-N 1 2 489.686 2.606 20 0 JFADLO CC(C)(C)[S@](=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001287088628 1062272145 /nfs/dbraw/zinc/27/21/45/1062272145.db2.gz PREZIINWJKMLFS-HYJWCJBQSA-N 1 2 481.066 2.699 20 0 JFADLO CC(C)(C)[S@@](=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001287089576 1062277673 /nfs/dbraw/zinc/27/76/73/1062277673.db2.gz UACIXHPLQQBCIM-CVCYQNGTSA-N 1 2 463.623 2.790 20 0 JFADLO CC(C)(C)[S@](=O)CCn1c(C2CCC2)nnc1N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC001287090537 1062282603 /nfs/dbraw/zinc/28/26/03/1062282603.db2.gz XUNLEPNNGBNSHC-JTMIDMFHSA-N 1 2 489.686 2.655 20 0 JFADLO Cc1nc(N2CCN(c3nnc([C@H](C)Oc4ccccc4F)n3CC(C)(C)O)CC2)cc[nH+]1 ZINC001290496045 1062284234 /nfs/dbraw/zinc/28/42/34/1062284234.db2.gz BONYGBXRIYYCRU-INIZCTEOSA-N 1 2 455.538 2.753 20 0 JFADLO Cc1ncc(C[NH+]2CCN(c3nnc(C(C)C)n3C[C@@H](N3CCOCC3)C(F)(F)F)CC2)s1 ZINC001290498872 1062291147 /nfs/dbraw/zinc/29/11/47/1062291147.db2.gz XSJSZBLOJXANPE-GOSISDBHSA-N 1 2 487.596 2.752 20 0 JFADLO Cc1nc(N2CCN(c3nnc(CC(C)C)n3CCOCC(F)(F)C(F)F)CC2)cc[nH+]1 ZINC001290501032 1062292196 /nfs/dbraw/zinc/29/21/96/1062292196.db2.gz IBVVBAJVAKELJD-UHFFFAOYSA-N 1 2 459.492 2.819 20 0 JFADLO Cc1nc(N2CCN(c3nnc(-c4ccc(Cl)cc4)n3CC(=O)NC(C)C)CC2)cc[nH+]1 ZINC001290501045 1062293314 /nfs/dbraw/zinc/29/33/14/1062293314.db2.gz IGQNODHCRNQHAH-UHFFFAOYSA-N 1 2 454.966 2.548 20 0 JFADLO Cc1nc(N2CCN(c3nnc(CCCc4ccccc4)n3CCCC(=O)N(C)C)CC2)cc[nH+]1 ZINC001290501383 1062293820 /nfs/dbraw/zinc/29/38/20/1062293820.db2.gz LINDMEAZRPFQQA-UHFFFAOYSA-N 1 2 476.629 2.747 20 0 JFADLO Cc1nc(N2CCN(c3nnc(C4CCC4)n3CCN(C)C(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC001290501537 1062293993 /nfs/dbraw/zinc/29/39/93/1062293993.db2.gz NQWRUPOWQLZWKA-UHFFFAOYSA-N 1 2 456.595 2.838 20 0 JFADLO Cc1nc(N2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CCC(C)(C)O)CC2)cc[nH+]1 ZINC001290502246 1062297434 /nfs/dbraw/zinc/29/74/34/1062297434.db2.gz ZWSVTVSHPROKEG-UHFFFAOYSA-N 1 2 475.395 2.622 20 0 JFADLO CCCN1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(N(CC)CC)[nH+]c2)CC1=O ZINC001294734581 1062318765 /nfs/dbraw/zinc/31/87/65/1062318765.db2.gz XFAAHDASYFXZAB-FQEVSTJZSA-N 1 2 455.607 2.520 20 0 JFADLO CC(C)C(=O)N[C@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001287116908 1062348319 /nfs/dbraw/zinc/34/83/19/1062348319.db2.gz CDRCELJYBHUOLR-GGAORHGYSA-N 1 2 468.646 2.525 20 0 JFADLO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001287116910 1062348382 /nfs/dbraw/zinc/34/83/82/1062348382.db2.gz CDRCELJYBHUOLR-JTHBVZDNSA-N 1 2 468.646 2.525 20 0 JFADLO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001287126528 1062392982 /nfs/dbraw/zinc/39/29/82/1062392982.db2.gz ULKHFXHTSXMFFE-PZJWPPBQSA-N 1 2 469.634 2.670 20 0 JFADLO CC(C)C(=O)NCCN(C)c1nnc([C@H]2CCCCO2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001287133149 1062439860 /nfs/dbraw/zinc/43/98/60/1062439860.db2.gz QFNMWQYIKHJSBN-OAQYLSRUSA-N 1 2 451.575 2.962 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N(C)CC[NH+]3CCOCC3)n2CCc2ccc(F)c(F)c2F)n1 ZINC001290612169 1062456075 /nfs/dbraw/zinc/45/60/75/1062456075.db2.gz DKOICXZFJMAKLN-UHFFFAOYSA-N 1 2 477.535 2.568 20 0 JFADLO CC(C)C(=O)NCCN(C)c1nnc(-c2ccccn2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001287135199 1062457617 /nfs/dbraw/zinc/45/76/17/1062457617.db2.gz WUQJKZVFQQBOKD-QHCPKHFHSA-N 1 2 477.613 2.622 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N(C)CC[NH+]3CCOCC3)n2Cc2ccc(C(F)(F)F)cc2)n1 ZINC001290612659 1062458897 /nfs/dbraw/zinc/45/88/97/1062458897.db2.gz RAHQSHWOUVISDF-UHFFFAOYSA-N 1 2 477.535 2.975 20 0 JFADLO CC(C)C(=O)NCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001287135554 1062459687 /nfs/dbraw/zinc/45/96/87/1062459687.db2.gz QXWJEXHHOULQPO-UHFFFAOYSA-N 1 2 487.406 2.530 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2Cc2ccc(N(C)C)[nH+]c2)n1 ZINC001290616701 1062467175 /nfs/dbraw/zinc/46/71/75/1062467175.db2.gz CNMJPNIAKCQVMN-UHFFFAOYSA-N 1 2 490.534 2.997 20 0 JFADLO CCCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc[nH+]c2N2CCOCC2)CC1 ZINC001294816783 1062495338 /nfs/dbraw/zinc/49/53/38/1062495338.db2.gz SBRCBXZVKLZIHV-IBGZPJMESA-N 1 2 469.634 2.814 20 0 JFADLO CCCNC(=O)C1CCN(c2nnc(CC)n2C[C@H](c2cccc(C)c2)[NH+]2CCOCC2)CC1 ZINC001294828171 1062514461 /nfs/dbraw/zinc/51/44/61/1062514461.db2.gz KFPSPYRZMSPRKH-HSZRJFAPSA-N 1 2 468.646 2.965 20 0 JFADLO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC001290649258 1062546643 /nfs/dbraw/zinc/54/66/43/1062546643.db2.gz PZHOPWFCVDJWAE-UHFFFAOYSA-N 1 2 450.973 2.663 20 0 JFADLO CC(C)c1ncc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCOC(C)(C)C2)cn1 ZINC001287172044 1062590271 /nfs/dbraw/zinc/59/02/71/1062590271.db2.gz XIZFQFGGVGTKON-UHFFFAOYSA-N 1 2 493.616 2.586 20 0 JFADLO CC(C)c1ncc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCOC(C)(C)C2)cn1 ZINC001287172044 1062590292 /nfs/dbraw/zinc/59/02/92/1062590292.db2.gz XIZFQFGGVGTKON-UHFFFAOYSA-N 1 2 493.616 2.586 20 0 JFADLO CCCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001294889162 1062613038 /nfs/dbraw/zinc/61/30/38/1062613038.db2.gz SUGQYJBUTHMTFA-UHFFFAOYSA-N 1 2 493.612 2.902 20 0 JFADLO CCCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001294894950 1062623320 /nfs/dbraw/zinc/62/33/20/1062623320.db2.gz HMXGNSDSOGATHS-UHFFFAOYSA-N 1 2 455.994 2.785 20 0 JFADLO CCCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC001294897174 1062627768 /nfs/dbraw/zinc/62/77/68/1062627768.db2.gz HMSJVYYEJMEGDF-UHFFFAOYSA-N 1 2 481.576 2.645 20 0 JFADLO C[C@@H](C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001290700514 1062636179 /nfs/dbraw/zinc/63/61/79/1062636179.db2.gz MANGJRHJBGCXDV-AWEZNQCLSA-N 1 2 454.955 3.000 20 0 JFADLO Cc1nnc(N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001290701621 1062637347 /nfs/dbraw/zinc/63/73/47/1062637347.db2.gz IBPBQTUCABZYMA-IQVDJAOASA-N 1 2 454.600 2.801 20 0 JFADLO O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC001290723989 1062653120 /nfs/dbraw/zinc/65/31/20/1062653120.db2.gz XQOQZFGAKJSKAH-SFTDATJTSA-N 1 2 453.543 2.774 20 0 JFADLO O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC001290723989 1062653129 /nfs/dbraw/zinc/65/31/29/1062653129.db2.gz XQOQZFGAKJSKAH-SFTDATJTSA-N 1 2 453.543 2.774 20 0 JFADLO CCOC(=O)c1ccc(N2CCN(C(=O)CSCc3cn4cc(C)ccc4[nH+]3)CC2)nc1 ZINC001290741283 1062661653 /nfs/dbraw/zinc/66/16/53/1062661653.db2.gz JNWYOLVRCLJBSU-UHFFFAOYSA-N 1 2 453.568 2.796 20 0 JFADLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 ZINC001294916788 1062678042 /nfs/dbraw/zinc/67/80/42/1062678042.db2.gz XTSCTWPINGAHFJ-KRWDZBQOSA-N 1 2 456.406 2.788 20 0 JFADLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCC(NC(=O)c3ccc(F)cc3)CC1)CC2 ZINC001290763606 1062679661 /nfs/dbraw/zinc/67/96/61/1062679661.db2.gz MWJLQFHQABQLDH-UHFFFAOYSA-N 1 2 455.530 2.622 20 0 JFADLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCC(NC(=O)c3ccc(F)cc3)CC1)CC2 ZINC001290763606 1062679673 /nfs/dbraw/zinc/67/96/73/1062679673.db2.gz MWJLQFHQABQLDH-UHFFFAOYSA-N 1 2 455.530 2.622 20 0 JFADLO CC(C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@](C)(O)c1cccs1 ZINC001287215652 1062686221 /nfs/dbraw/zinc/68/62/21/1062686221.db2.gz IKLUZWTYZUESNB-FDDCHVKYSA-N 1 2 460.648 2.504 20 0 JFADLO Cc1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001290857815 1062742357 /nfs/dbraw/zinc/74/23/57/1062742357.db2.gz QUKRBSDSXMTFTJ-NRFANRHFSA-N 1 2 456.591 2.717 20 0 JFADLO Cc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001290877317 1062762764 /nfs/dbraw/zinc/76/27/64/1062762764.db2.gz UDYUHTPCVJXQMP-OAQYLSRUSA-N 1 2 482.551 2.765 20 0 JFADLO CC(C)[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001287295686 1062767941 /nfs/dbraw/zinc/76/79/41/1062767941.db2.gz ITRHKLQVTRODJO-GOSISDBHSA-N 1 2 469.615 2.640 20 0 JFADLO CCCO[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)CC1 ZINC001294986620 1062773747 /nfs/dbraw/zinc/77/37/47/1062773747.db2.gz IAVVIEXOUWNRFZ-PMACEKPBSA-N 1 2 499.664 2.703 20 0 JFADLO CCCO[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2c2cc(NC)nc[nH+]2)CC1 ZINC001294986620 1062773769 /nfs/dbraw/zinc/77/37/69/1062773769.db2.gz IAVVIEXOUWNRFZ-PMACEKPBSA-N 1 2 499.664 2.703 20 0 JFADLO Cc1noc(C)c1CCn1c(CC(C)C)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001290917698 1062793077 /nfs/dbraw/zinc/79/30/77/1062793077.db2.gz IFSZBQICDHCVSP-QFIPXVFZSA-N 1 2 473.666 2.555 20 0 JFADLO CCCS(=O)(=O)NC1CCN(c2nnc([C@H](C)CC)n2CCc2cn3ccccc3[nH+]2)CC1 ZINC001295014771 1062805335 /nfs/dbraw/zinc/80/53/35/1062805335.db2.gz MQMYXZZOAGNUCV-GOSISDBHSA-N 1 2 473.647 2.980 20 0 JFADLO CC(C)Cc1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1ccc(N2CCC(C)CC2)nc1 ZINC001287375041 1062833542 /nfs/dbraw/zinc/83/35/42/1062833542.db2.gz SXYZPFOGKJGCMX-UHFFFAOYSA-N 1 2 455.651 2.925 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc(Cc4ccccn4)n3C[C@@H](C)NC(=O)OC(C)(C)C)CC2)on1 ZINC001290969652 1062842813 /nfs/dbraw/zinc/84/28/13/1062842813.db2.gz IOHSRKITDMHSKY-LJQANCHMSA-N 1 2 496.616 2.796 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc(-c4cccn4C)n3CCCOC(F)(F)F)CC2)on1 ZINC001290970406 1062844150 /nfs/dbraw/zinc/84/41/50/1062844150.db2.gz QICJDTJUPVXCLJ-UHFFFAOYSA-N 1 2 453.469 2.829 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc(-c4cccnc4)n3CC(F)(F)Br)CC2)on1 ZINC001290970782 1062846086 /nfs/dbraw/zinc/84/60/86/1062846086.db2.gz VJUXFGCTEXPNEK-UHFFFAOYSA-N 1 2 468.306 2.946 20 0 JFADLO COc1ccc(-c2cc(C(=O)NCc3cc[nH+]c(N4CCSCC4)c3)nn2C)cc1OC ZINC001287405873 1062847935 /nfs/dbraw/zinc/84/79/35/1062847935.db2.gz PFIGYIOBTFYXLO-UHFFFAOYSA-N 1 2 453.568 2.983 20 0 JFADLO C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2ccccn2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001290980736 1062865626 /nfs/dbraw/zinc/86/56/26/1062865626.db2.gz OAQVZSHKUBLOJN-OXQOHEQNSA-N 1 2 469.540 2.512 20 0 JFADLO CC(C)Cc1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001287442017 1062874036 /nfs/dbraw/zinc/87/40/36/1062874036.db2.gz ARFQNJWELRRGAR-JOCHJYFZSA-N 1 2 485.658 2.535 20 0 JFADLO CC(C)NC(=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001290997369 1062889285 /nfs/dbraw/zinc/88/92/85/1062889285.db2.gz CGVBPJAUUKFRBM-OTWHNJEPSA-N 1 2 455.607 2.567 20 0 JFADLO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001290998028 1062890300 /nfs/dbraw/zinc/89/03/00/1062890300.db2.gz FGPNMOMVQNDPHQ-ZACQAIPSSA-N 1 2 475.594 2.744 20 0 JFADLO CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001287461700 1062900439 /nfs/dbraw/zinc/90/04/39/1062900439.db2.gz AQSQSFWDIHOAMA-IBGZPJMESA-N 1 2 475.037 2.813 20 0 JFADLO CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001287461700 1062900468 /nfs/dbraw/zinc/90/04/68/1062900468.db2.gz AQSQSFWDIHOAMA-IBGZPJMESA-N 1 2 475.037 2.813 20 0 JFADLO CC(C)Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@](C)(O)c1ccccc1 ZINC001287465818 1062913581 /nfs/dbraw/zinc/91/35/81/1062913581.db2.gz PRSKWRSENSETBT-HFZDXXHNSA-N 1 2 468.646 2.517 20 0 JFADLO CC(C)Cc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCC(=O)Nc1ccccc1 ZINC001287482427 1062939041 /nfs/dbraw/zinc/93/90/41/1062939041.db2.gz TZCOGYNJZZQTEI-DEOSSOPVSA-N 1 2 497.688 2.737 20 0 JFADLO CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC[N@H+]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295145296 1062964971 /nfs/dbraw/zinc/96/49/71/1062964971.db2.gz BBFZBGGLOTVWKX-UYAOXDASSA-N 1 2 477.606 2.833 20 0 JFADLO CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC[N@@H+]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295145296 1062964994 /nfs/dbraw/zinc/96/49/94/1062964994.db2.gz BBFZBGGLOTVWKX-UYAOXDASSA-N 1 2 477.606 2.833 20 0 JFADLO CSC[C@H](C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001295168637 1062992123 /nfs/dbraw/zinc/99/21/23/1062992123.db2.gz IMRSCWAROBKOEZ-HSALFYBXSA-N 1 2 458.628 2.985 20 0 JFADLO CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1C[N@H+](CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001295180693 1063003345 /nfs/dbraw/zinc/00/33/45/1063003345.db2.gz ZYRNTOHXAPHGHY-RTWAWAEBSA-N 1 2 475.659 2.624 20 0 JFADLO CCN(c1nnc(-c2ccccc2C)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001295180693 1063003359 /nfs/dbraw/zinc/00/33/59/1063003359.db2.gz ZYRNTOHXAPHGHY-RTWAWAEBSA-N 1 2 475.659 2.624 20 0 JFADLO CC(C)CN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1)C(C)C ZINC001287706080 1063043511 /nfs/dbraw/zinc/04/35/11/1063043511.db2.gz GGIXNXJCCKDSFS-PZJWPPBQSA-N 1 2 490.674 2.719 20 0 JFADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C)C2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001291110778 1063108450 /nfs/dbraw/zinc/10/84/50/1063108450.db2.gz JXYBOZUUFPGEQF-IIDMSEBBSA-N 1 2 470.590 2.706 20 0 JFADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001291110849 1063109487 /nfs/dbraw/zinc/10/94/87/1063109487.db2.gz LAWOKRXHCPVTTA-RTBURBONSA-N 1 2 475.663 2.948 20 0 JFADLO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(C2CCCC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001295292677 1063140980 /nfs/dbraw/zinc/14/09/80/1063140980.db2.gz BQYUULFENAXIGX-XMMPIXPASA-N 1 2 468.646 2.968 20 0 JFADLO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(Cc2cccnc2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001295292945 1063143073 /nfs/dbraw/zinc/14/30/73/1063143073.db2.gz DRIQBTFFJXMXCU-URXFXBBRSA-N 1 2 464.614 2.853 20 0 JFADLO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(Cc2cccnc2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001295292945 1063143086 /nfs/dbraw/zinc/14/30/86/1063143086.db2.gz DRIQBTFFJXMXCU-URXFXBBRSA-N 1 2 464.614 2.853 20 0 JFADLO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(C(=O)NC(C)C)n1Cc1c[nH+]ccc1OC ZINC001295293489 1063145189 /nfs/dbraw/zinc/14/51/89/1063145189.db2.gz VOTOBDYPOWTFJX-HXUWFJFHSA-N 1 2 452.559 2.737 20 0 JFADLO C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001291139595 1063203999 /nfs/dbraw/zinc/20/39/99/1063203999.db2.gz HBFNODHITPUMNC-PZJWPPBQSA-N 1 2 485.633 2.754 20 0 JFADLO CCN(CC)C(=O)CCCn1c([C@H]2CCCOC2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001295324195 1063208641 /nfs/dbraw/zinc/20/86/41/1063208641.db2.gz HTZWOHOAYPRWLQ-FQEVSTJZSA-N 1 2 469.634 2.844 20 0 JFADLO C[C@@H]1[C@@H](C)CCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001291151147 1063239643 /nfs/dbraw/zinc/23/96/43/1063239643.db2.gz PCBHUDYWVGLKOG-ZWKOTPCHSA-N 1 2 483.642 2.939 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(CO)c2)CC1 ZINC001295335583 1063253651 /nfs/dbraw/zinc/25/36/51/1063253651.db2.gz BVBXMOUYEQBLOY-UHFFFAOYSA-N 1 2 498.031 2.525 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccn3C)n2CCOc2ccc(C)cc2)CC1 ZINC001295335930 1063255118 /nfs/dbraw/zinc/25/51/18/1063255118.db2.gz IKIWTXMGDGJSHF-UHFFFAOYSA-N 1 2 479.629 2.661 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3F)n2Cc2nccs2)CC1 ZINC001295336118 1063255882 /nfs/dbraw/zinc/25/58/82/1063255882.db2.gz LYEWRKXPCMRLPP-UHFFFAOYSA-N 1 2 457.579 2.579 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3OC)n2CC2CC(F)(F)C2)CC1 ZINC001295336222 1063257325 /nfs/dbraw/zinc/25/73/25/1063257325.db2.gz OCOYQRVFSUZLQQ-UHFFFAOYSA-N 1 2 476.572 2.989 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](C)OC)CC1 ZINC001295336850 1063261186 /nfs/dbraw/zinc/26/11/86/1063261186.db2.gz YHBBMJNTGDMODA-KRWDZBQOSA-N 1 2 493.450 2.733 20 0 JFADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291186951 1063293265 /nfs/dbraw/zinc/29/32/65/1063293265.db2.gz MKMYJRGYNJYVKT-ZACQAIPSSA-N 1 2 499.081 2.751 20 0 JFADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291186951 1063293284 /nfs/dbraw/zinc/29/32/84/1063293284.db2.gz MKMYJRGYNJYVKT-ZACQAIPSSA-N 1 2 499.081 2.751 20 0 JFADLO CC(C)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001291194952 1063331415 /nfs/dbraw/zinc/33/14/15/1063331415.db2.gz HQBNFKGDLRLPNC-IBGZPJMESA-N 1 2 469.634 2.765 20 0 JFADLO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@H]1NC(=O)OC(C)(C)C ZINC001291202493 1063359198 /nfs/dbraw/zinc/35/91/98/1063359198.db2.gz MZHTWIUANCCQGB-FGTMMUONSA-N 1 2 450.628 2.646 20 0 JFADLO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CC[N@H+]2CCOC[C@@H]2C)C[C@H]1NC(=O)OC(C)(C)C ZINC001291202493 1063359211 /nfs/dbraw/zinc/35/92/11/1063359211.db2.gz MZHTWIUANCCQGB-FGTMMUONSA-N 1 2 450.628 2.646 20 0 JFADLO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCOC[C@H]2C)C[C@H]1NC(=O)OC(C)(C)C ZINC001291202495 1063359251 /nfs/dbraw/zinc/35/92/51/1063359251.db2.gz MZHTWIUANCCQGB-KZNAEPCWSA-N 1 2 450.628 2.646 20 0 JFADLO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CC[N@H+]2CCOC[C@H]2C)C[C@H]1NC(=O)OC(C)(C)C ZINC001291202495 1063359272 /nfs/dbraw/zinc/35/92/72/1063359272.db2.gz MZHTWIUANCCQGB-KZNAEPCWSA-N 1 2 450.628 2.646 20 0 JFADLO COc1cccc(OCC[NH+]2CCN(C(=O)c3cc(N4C[C@@H](C)O[C@@H](C)C4)ccn3)CC2)c1 ZINC001295384932 1063360210 /nfs/dbraw/zinc/36/02/10/1063360210.db2.gz RVUOXCFGGXTAJZ-BGYRXZFFSA-N 1 2 454.571 2.541 20 0 JFADLO CCN(CC)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(c3nc(C)no3)CC2)c[nH+]1 ZINC001295411184 1063407862 /nfs/dbraw/zinc/40/78/62/1063407862.db2.gz RHWZFKZYCCNTDU-UHFFFAOYSA-N 1 2 481.605 2.781 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCS[C@@H](C(C)C)C2)c[nH+]1 ZINC001295411590 1063408853 /nfs/dbraw/zinc/40/88/53/1063408853.db2.gz VJFJMDHOIRWMRE-IEBWSBKVSA-N 1 2 495.719 2.756 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3ccccc3Br)nnc2N2CCNC(=O)C2)c[nH+]1 ZINC001295412901 1063411270 /nfs/dbraw/zinc/41/12/70/1063411270.db2.gz IBJJEGJBSDJTCT-UHFFFAOYSA-N 1 2 484.402 2.933 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3ccc(OC)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)c[nH+]1 ZINC001295413760 1063413505 /nfs/dbraw/zinc/41/35/05/1063413505.db2.gz QWNMSFAEDLXWBD-NRFANRHFSA-N 1 2 484.626 2.867 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3ccccc3OC)nnc2N(C)CC(=O)N2CCOCC2)c[nH+]1 ZINC001295413528 1063413559 /nfs/dbraw/zinc/41/35/59/1063413559.db2.gz QKUKIEFKDBCTBL-UHFFFAOYSA-N 1 2 493.612 2.538 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(OC)CC2)c[nH+]1 ZINC001295413971 1063415843 /nfs/dbraw/zinc/41/58/43/1063415843.db2.gz DJWXRGKNJIWXLP-DVECYGJZSA-N 1 2 455.607 2.914 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3cnccn3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)c[nH+]1 ZINC001295415861 1063420509 /nfs/dbraw/zinc/42/05/09/1063420509.db2.gz UDPWUACIGIBWLM-LJQANCHMSA-N 1 2 477.617 2.718 20 0 JFADLO CCN(CC)c1ccc(Cn2c(Cc3ccsc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)c[nH+]1 ZINC001295419785 1063429267 /nfs/dbraw/zinc/42/92/67/1063429267.db2.gz SDALAHOXKWTISD-LJQANCHMSA-N 1 2 474.656 2.843 20 0 JFADLO CCN(CC)c1ccc(Cn2c(Cc3ccsc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)c[nH+]1 ZINC001295419783 1063429383 /nfs/dbraw/zinc/42/93/83/1063429383.db2.gz SDALAHOXKWTISD-IBGZPJMESA-N 1 2 474.656 2.843 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)OC)c[nH+]1 ZINC001295419893 1063430638 /nfs/dbraw/zinc/43/06/38/1063430638.db2.gz KRMRZFYFGWHTON-SFHVURJKSA-N 1 2 475.594 2.874 20 0 JFADLO CCN(CC)c1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC(S(=O)(=O)CC)CC2)c[nH+]1 ZINC001295420648 1063434983 /nfs/dbraw/zinc/43/49/83/1063434983.db2.gz VHCMKJOXTLRYFT-UHFFFAOYSA-N 1 2 497.669 2.957 20 0 JFADLO C[C@H]1CN(c2nnc(Cc3ccncc3)n2Cc2ccc(N(C)C)[nH+]c2)CCN1CC(F)(F)F ZINC001291266971 1063569912 /nfs/dbraw/zinc/56/99/12/1063569912.db2.gz WNKZTUUOYYZQTO-KRWDZBQOSA-N 1 2 474.535 2.846 20 0 JFADLO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CCS1 ZINC001291276751 1063587543 /nfs/dbraw/zinc/58/75/43/1063587543.db2.gz RDRYNUBPTSIGCW-QAPCUYQASA-N 1 2 464.586 2.923 20 0 JFADLO C[C@H]1C[NH+](CCCn2c(-c3cccc(Cl)c3)nnc2N(C)CCS(C)(=O)=O)C[C@H](C)O1 ZINC001291287798 1063643191 /nfs/dbraw/zinc/64/31/91/1063643191.db2.gz HWXCSFSHMCHUMY-IRXDYDNUSA-N 1 2 470.039 2.579 20 0 JFADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291295393 1063695090 /nfs/dbraw/zinc/69/50/90/1063695090.db2.gz YNNFEBKEZFWYQN-SRHPJPHMSA-N 1 2 499.722 2.565 20 0 JFADLO CCN(CC1CC1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001295679952 1063717551 /nfs/dbraw/zinc/71/75/51/1063717551.db2.gz LOCSASDYGMAWDA-QGZVFWFLSA-N 1 2 461.636 2.558 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(Cc2cccnc2)nnc1N(C)CCOc1ccccc1F ZINC001291307893 1063726430 /nfs/dbraw/zinc/72/64/30/1063726430.db2.gz CVVACZOEAXLHAD-IBGZPJMESA-N 1 2 454.550 2.639 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N(C)CCOc1ccccc1F ZINC001291307893 1063726446 /nfs/dbraw/zinc/72/64/46/1063726446.db2.gz CVVACZOEAXLHAD-IBGZPJMESA-N 1 2 454.550 2.639 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001291307980 1063726472 /nfs/dbraw/zinc/72/64/72/1063726472.db2.gz DVRAIAOPOHZMOD-NVXWUHKLSA-N 1 2 471.528 2.629 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001291307980 1063726476 /nfs/dbraw/zinc/72/64/76/1063726476.db2.gz DVRAIAOPOHZMOD-NVXWUHKLSA-N 1 2 471.528 2.629 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(Cc2ccccn2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001291308475 1063728864 /nfs/dbraw/zinc/72/88/64/1063728864.db2.gz NWPDDXLURZIZNE-HTAPYJJXSA-N 1 2 482.551 2.514 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(Cc2ccccn2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001291308475 1063728872 /nfs/dbraw/zinc/72/88/72/1063728872.db2.gz NWPDDXLURZIZNE-HTAPYJJXSA-N 1 2 482.551 2.514 20 0 JFADLO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CC2CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001291309286 1063734260 /nfs/dbraw/zinc/73/42/60/1063734260.db2.gz CQDLHJCUOALNMW-WOJBJXKFSA-N 1 2 454.619 2.607 20 0 JFADLO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CC2CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001291309286 1063734269 /nfs/dbraw/zinc/73/42/69/1063734269.db2.gz CQDLHJCUOALNMW-WOJBJXKFSA-N 1 2 454.619 2.607 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001291309643 1063735074 /nfs/dbraw/zinc/73/50/74/1063735074.db2.gz KVQIUNUFHFPUMN-GUDVDZBRSA-N 1 2 488.599 2.602 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001291309643 1063735084 /nfs/dbraw/zinc/73/50/84/1063735084.db2.gz KVQIUNUFHFPUMN-GUDVDZBRSA-N 1 2 488.599 2.602 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(COc2ccc(F)cc2)nnc1N1CCC(CCCO)CC1 ZINC001291310143 1063738749 /nfs/dbraw/zinc/73/87/49/1063738749.db2.gz UVSSYTJBASMFJZ-IBGZPJMESA-N 1 2 461.582 2.706 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(COc2ccc(F)cc2)nnc1N1CCC(CCCO)CC1 ZINC001291310143 1063738778 /nfs/dbraw/zinc/73/87/78/1063738778.db2.gz UVSSYTJBASMFJZ-IBGZPJMESA-N 1 2 461.582 2.706 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(COc2ccccc2F)nnc1N1CCC(CCCO)CC1 ZINC001291310296 1063739485 /nfs/dbraw/zinc/73/94/85/1063739485.db2.gz XOTREBYRVBDFJR-LJQANCHMSA-N 1 2 461.582 2.706 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(COc2ccccc2F)nnc1N1CCC(CCCO)CC1 ZINC001291310296 1063739494 /nfs/dbraw/zinc/73/94/94/1063739494.db2.gz XOTREBYRVBDFJR-LJQANCHMSA-N 1 2 461.582 2.706 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc([C@H]2CCOC2)n1CC[S@@](=O)CC ZINC001295747402 1063752553 /nfs/dbraw/zinc/75/25/53/1063752553.db2.gz ARGQDSHQLXJJEV-WEZXKFLESA-N 1 2 460.648 2.689 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(-c2cccnc2)n1CCC(=O)N(C)C ZINC001295749541 1063756008 /nfs/dbraw/zinc/75/60/08/1063756008.db2.gz RQIJDDXPEQTSIA-UHFFFAOYSA-N 1 2 462.602 2.956 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC(F)(F)CO1 ZINC001295750286 1063757550 /nfs/dbraw/zinc/75/75/50/1063757550.db2.gz VXVXTTCAEUMXSP-IBGZPJMESA-N 1 2 491.587 2.978 20 0 JFADLO CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001295773969 1063783042 /nfs/dbraw/zinc/78/30/42/1063783042.db2.gz HPGNXNGMFMNKHT-QHCPKHFHSA-N 1 2 468.646 2.940 20 0 JFADLO CCC(=O)N[C@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCN2c2cc(NC)[nH+]cn2)C1 ZINC001291344285 1063831954 /nfs/dbraw/zinc/83/19/54/1063831954.db2.gz ZDCBMVBCNDNJJL-RBUKOAKNSA-N 1 2 483.665 2.862 20 0 JFADLO CCC(=O)N[C@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCN2c2cc(NC)nc[nH+]2)C1 ZINC001291344285 1063831960 /nfs/dbraw/zinc/83/19/60/1063831960.db2.gz ZDCBMVBCNDNJJL-RBUKOAKNSA-N 1 2 483.665 2.862 20 0 JFADLO CCC(=O)N[C@H]1CCCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001291346063 1063842924 /nfs/dbraw/zinc/84/29/24/1063842924.db2.gz JGXVBFKHPUEUEK-NRFANRHFSA-N 1 2 477.613 2.904 20 0 JFADLO CC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001291365250 1063885803 /nfs/dbraw/zinc/88/58/03/1063885803.db2.gz GDHZTJRGMMTQQM-UUOWRZLLSA-N 1 2 490.052 2.678 20 0 JFADLO CC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC001291365248 1063885820 /nfs/dbraw/zinc/88/58/20/1063885820.db2.gz GDHZTJRGMMTQQM-KOSHJBKYSA-N 1 2 490.052 2.678 20 0 JFADLO CC[C@@](C)(O)Cn1c(-c2ccccc2F)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC001291366443 1063889933 /nfs/dbraw/zinc/88/99/33/1063889933.db2.gz APALGKGVBFCOHT-KBMIEXCESA-N 1 2 472.609 2.768 20 0 JFADLO CC[N@H+](CCn1c(Cc2ccccn2)nnc1N1CCC(S(C)(=O)=O)CC1)CCC(F)(F)F ZINC001295859833 1063891395 /nfs/dbraw/zinc/89/13/95/1063891395.db2.gz YMNJWXRDUJZICV-UHFFFAOYSA-N 1 2 488.580 2.552 20 0 JFADLO CC[N@@H+](CCn1c(Cc2ccccn2)nnc1N1CCC(S(C)(=O)=O)CC1)CCC(F)(F)F ZINC001295859833 1063891404 /nfs/dbraw/zinc/89/14/04/1063891404.db2.gz YMNJWXRDUJZICV-UHFFFAOYSA-N 1 2 488.580 2.552 20 0 JFADLO CC[C@@](C)(O)Cn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC001291368310 1063893611 /nfs/dbraw/zinc/89/36/11/1063893611.db2.gz LDWBHZAPGBMHLM-XMMPIXPASA-N 1 2 454.550 2.971 20 0 JFADLO CC[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001291372352 1063900102 /nfs/dbraw/zinc/90/01/02/1063900102.db2.gz ZQOQBTCQWFUBPS-DVECYGJZSA-N 1 2 457.623 2.882 20 0 JFADLO CC[C@](C)(O)Cn1c(CCCc2ccccc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001291376996 1063908082 /nfs/dbraw/zinc/90/80/82/1063908082.db2.gz FXAUGJMLXCNOBN-AMGIVPHBSA-N 1 2 482.673 2.747 20 0 JFADLO CC[C@@](C)(O)Cn1c(CCCc2ccccc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001291376995 1063908132 /nfs/dbraw/zinc/90/81/32/1063908132.db2.gz FXAUGJMLXCNOBN-AJTFRIOCSA-N 1 2 482.673 2.747 20 0 JFADLO CC[C@@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001291382328 1063923543 /nfs/dbraw/zinc/92/35/43/1063923543.db2.gz VKQMVLAZCSANEZ-QYXIYQDXSA-N 1 2 487.649 2.712 20 0 JFADLO CC[C@H](C)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)OC ZINC001291421823 1064002266 /nfs/dbraw/zinc/00/22/66/1064002266.db2.gz PYGWDICAJUYMPZ-GHTZIAJQSA-N 1 2 450.591 2.750 20 0 JFADLO CC[C@@H](C)[C@H](Cn1c(Cc2cccnc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1)OC ZINC001291422336 1064003359 /nfs/dbraw/zinc/00/33/59/1064003359.db2.gz XAADPUOCTHKCNU-GCJKJVERSA-N 1 2 453.591 2.944 20 0 JFADLO CC[C@H](C)c1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1CC1([NH+]2CCOCC2)CC1 ZINC001291443758 1064019033 /nfs/dbraw/zinc/01/90/33/1064019033.db2.gz GHHDVLMFDQCKDX-SFHVURJKSA-N 1 2 461.632 2.696 20 0 JFADLO CC[C@@H](C)c1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1CC1([NH+]2CCOCC2)CC1 ZINC001291443757 1064019054 /nfs/dbraw/zinc/01/90/54/1064019054.db2.gz GHHDVLMFDQCKDX-GOSISDBHSA-N 1 2 461.632 2.696 20 0 JFADLO CC[C@@H](C)c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1ccnc(OC2CCOCC2)c1 ZINC001291458000 1064024754 /nfs/dbraw/zinc/02/47/54/1064024754.db2.gz XOSPMBCYSUYMRB-LJQANCHMSA-N 1 2 458.607 2.561 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC(Cn3nc(C)cc3C)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291503085 1064053775 /nfs/dbraw/zinc/05/37/75/1064053775.db2.gz RXYHPCDWZHPFHP-IBGZPJMESA-N 1 2 470.666 2.686 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCS(=O)(=O)CC)C[C@@H]1C ZINC001295999496 1064056151 /nfs/dbraw/zinc/05/61/51/1064056151.db2.gz BFABCIVJHYTLSM-HOTGVXAUSA-N 1 2 455.575 2.501 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCS(=O)(=O)CC)C[C@@H]1C ZINC001295999496 1064056157 /nfs/dbraw/zinc/05/61/57/1064056157.db2.gz BFABCIVJHYTLSM-HOTGVXAUSA-N 1 2 455.575 2.501 20 0 JFADLO COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001296004913 1064060111 /nfs/dbraw/zinc/06/01/11/1064060111.db2.gz BZVNJRRQTTUAOS-UZUQRXQVSA-N 1 2 452.530 2.718 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCC(NC(=O)COC)CC2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001291511235 1064063339 /nfs/dbraw/zinc/06/33/39/1064063339.db2.gz LTGYXOGWWBUQLN-GOSISDBHSA-N 1 2 455.607 2.567 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001296011423 1064071129 /nfs/dbraw/zinc/07/11/29/1064071129.db2.gz OQWOMABVSQUUNP-QHAWAJNXSA-N 1 2 475.659 2.828 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001296011423 1064071140 /nfs/dbraw/zinc/07/11/40/1064071140.db2.gz OQWOMABVSQUUNP-QHAWAJNXSA-N 1 2 475.659 2.828 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC[C@@H](C(=O)OC)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001291530754 1064076923 /nfs/dbraw/zinc/07/69/23/1064076923.db2.gz SLOMLOIRSJGOJK-CMKODMSKSA-N 1 2 456.591 2.849 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001291541943 1064084754 /nfs/dbraw/zinc/08/47/54/1064084754.db2.gz LCPBEQOQJBMHRI-PZJWPPBQSA-N 1 2 469.634 2.813 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC[C@H](NC(C)=O)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001291541976 1064085046 /nfs/dbraw/zinc/08/50/46/1064085046.db2.gz LLCVATNFJNGERQ-WFXMLNOXSA-N 1 2 455.607 2.565 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCC[C@H](OCCOC)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001291544693 1064088725 /nfs/dbraw/zinc/08/87/25/1064088725.db2.gz SUFACJSFZCLVBC-CTNGQTDRSA-N 1 2 458.607 2.703 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1CC[S@](=O)C(C)(C)C ZINC001291568994 1064096239 /nfs/dbraw/zinc/09/62/39/1064096239.db2.gz OMHUNYYSDQZXLL-WHUARKNTSA-N 1 2 468.712 2.719 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1CC[S@](=O)C(C)(C)C ZINC001291568994 1064096248 /nfs/dbraw/zinc/09/62/48/1064096248.db2.gz OMHUNYYSDQZXLL-WHUARKNTSA-N 1 2 468.712 2.719 20 0 JFADLO CC(C)n1cc(Br)c(C(=O)NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC001291575936 1064099322 /nfs/dbraw/zinc/09/93/22/1064099322.db2.gz DFYWSKYVDFTNFN-UHFFFAOYSA-N 1 2 458.401 2.899 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCN(C(=O)OC)[C@@H](C)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001291593001 1064127809 /nfs/dbraw/zinc/12/78/09/1064127809.db2.gz OFZJVFJUMVIDIW-RZUBCFFCSA-N 1 2 470.618 2.970 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCN(C(=O)OC)[C@@H](C)C2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001291593001 1064127813 /nfs/dbraw/zinc/12/78/13/1064127813.db2.gz OFZJVFJUMVIDIW-RZUBCFFCSA-N 1 2 470.618 2.970 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001291596097 1064131694 /nfs/dbraw/zinc/13/16/94/1064131694.db2.gz NUXNBELARNXCHU-SXWKCWPCSA-N 1 2 454.619 2.750 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001291596097 1064131696 /nfs/dbraw/zinc/13/16/96/1064131696.db2.gz NUXNBELARNXCHU-SXWKCWPCSA-N 1 2 454.619 2.750 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1C[C@@H](OC)[C@@H](C)CC ZINC001291602955 1064138826 /nfs/dbraw/zinc/13/88/26/1064138826.db2.gz PSDZRXPOVYBDSH-JENIJYKNSA-N 1 2 455.611 2.856 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1CCOCC(F)(F)C(F)F ZINC001291603268 1064139374 /nfs/dbraw/zinc/13/93/74/1064139374.db2.gz UHDNDCLAIMHEQN-CQSZACIVSA-N 1 2 499.517 2.712 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CCNC(=O)C1CC1 ZINC001291616011 1064153213 /nfs/dbraw/zinc/15/32/13/1064153213.db2.gz VZQXQWSLGHLORJ-KRWDZBQOSA-N 1 2 454.623 2.866 20 0 JFADLO CCN1CCCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H](C)[NH+]2CCOCC2)CC1=O ZINC001296101841 1064176627 /nfs/dbraw/zinc/17/66/27/1064176627.db2.gz WHUMTYWQCFADAY-OALUTQOASA-N 1 2 491.036 2.851 20 0 JFADLO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1Cc1ccc(F)cn1 ZINC001291639559 1064187583 /nfs/dbraw/zinc/18/75/83/1064187583.db2.gz NLSJTUFCMBPNKG-KNQAVFIVSA-N 1 2 459.614 2.605 20 0 JFADLO CC[C@H](C)c1nnc(N2CCNC(=O)[C@H]2CC)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001291650832 1064204268 /nfs/dbraw/zinc/20/42/68/1064204268.db2.gz USEKAYMEIQCKKL-NNWRFLSQSA-N 1 2 454.619 2.888 20 0 JFADLO CC[C@H](C)c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001291666137 1064210920 /nfs/dbraw/zinc/21/09/20/1064210920.db2.gz ACZLXDQPXYPFLN-SIKLNZKXSA-N 1 2 469.634 2.813 20 0 JFADLO CC[C@H](C)c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001291673993 1064215350 /nfs/dbraw/zinc/21/53/50/1064215350.db2.gz YOOUULJAMGVHRO-OYDLWJJNSA-N 1 2 484.645 2.515 20 0 JFADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC001296132247 1064229300 /nfs/dbraw/zinc/22/93/00/1064229300.db2.gz ABJUMGUQSPGXAW-IMSXRSKXSA-N 1 2 486.661 2.753 20 0 JFADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001296133599 1064234474 /nfs/dbraw/zinc/23/44/74/1064234474.db2.gz JNXNFROKTUWPKE-VXKWHMMOSA-N 1 2 456.635 2.725 20 0 JFADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CCO[C@@](C)(CC)C2)CC1 ZINC001296134835 1064237014 /nfs/dbraw/zinc/23/70/14/1064237014.db2.gz RBRVIKUABMAZCE-LVXARBLLSA-N 1 2 486.661 2.897 20 0 JFADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CCO[C@](C)(CC)C2)CC1 ZINC001296134834 1064237109 /nfs/dbraw/zinc/23/71/09/1064237109.db2.gz RBRVIKUABMAZCE-HFZDXXHNSA-N 1 2 486.661 2.897 20 0 JFADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001296135443 1064239191 /nfs/dbraw/zinc/23/91/91/1064239191.db2.gz YKDBSHGABLJDIO-FPOVZHCZSA-N 1 2 496.578 2.959 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCc2nnc(C)[nH]2)C[C@@H]1C ZINC001296144996 1064254773 /nfs/dbraw/zinc/25/47/73/1064254773.db2.gz CABPVSSDPSHJRG-AWEZNQCLSA-N 1 2 459.396 2.907 20 0 JFADLO CC[N@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCc2nnc(C)[nH]2)C[C@@H]1C ZINC001296144996 1064254783 /nfs/dbraw/zinc/25/47/83/1064254783.db2.gz CABPVSSDPSHJRG-AWEZNQCLSA-N 1 2 459.396 2.907 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCS(=O)(=O)c2ccccc2)C[C@@H]1C ZINC001296164797 1064283481 /nfs/dbraw/zinc/28/34/81/1064283481.db2.gz CVVSCZTVCLKJAZ-NRFANRHFSA-N 1 2 485.658 2.534 20 0 JFADLO CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCS(=O)(=O)c2ccccc2)C[C@@H]1C ZINC001296164797 1064283499 /nfs/dbraw/zinc/28/34/99/1064283499.db2.gz CVVSCZTVCLKJAZ-NRFANRHFSA-N 1 2 485.658 2.534 20 0 JFADLO CN1CC[NH+](CC2(C)CCN(C(=O)C(C)(C)S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC001296183708 1064328833 /nfs/dbraw/zinc/32/88/33/1064328833.db2.gz RCUKEJDEKZHMKI-UHFFFAOYSA-N 1 2 456.052 2.768 20 0 JFADLO CC[C@H](C)NC(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001291810713 1064336652 /nfs/dbraw/zinc/33/66/52/1064336652.db2.gz GVVJPFXUJUCMNH-IBGZPJMESA-N 1 2 463.586 2.980 20 0 JFADLO CC[C@@H](c1nnc(N2CCN(C(=O)OC)[C@@H](C)C2)n1C[C@@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC001291887891 1064509457 /nfs/dbraw/zinc/50/94/57/1064509457.db2.gz NYWBYLNISYPDDT-RZUBCFFCSA-N 1 2 470.618 2.818 20 0 JFADLO CC[C@@H](c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCCS(C)(=O)=O)c1ccccc1 ZINC001291892125 1064518579 /nfs/dbraw/zinc/51/85/79/1064518579.db2.gz ILJHDOJTZOFEFA-OAQYLSRUSA-N 1 2 468.627 2.976 20 0 JFADLO CC[C@H](c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCCS(C)(=O)=O)c1ccccc1 ZINC001291892123 1064518692 /nfs/dbraw/zinc/51/86/92/1064518692.db2.gz ILJHDOJTZOFEFA-NRFANRHFSA-N 1 2 468.627 2.976 20 0 JFADLO CCNC(=O)C1(Cn2c(CC)nnc2N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CCC1 ZINC001296264175 1064530712 /nfs/dbraw/zinc/53/07/12/1064530712.db2.gz PWXAMMYSIVZTCH-UHFFFAOYSA-N 1 2 454.623 2.695 20 0 JFADLO CCC(CC)[C@@H](Cn1c(Cc2ccccc2C)nnc1N1CCS(=O)(=O)CC1)[NH+]1CCOCC1 ZINC001291969910 1064585918 /nfs/dbraw/zinc/58/59/18/1064585918.db2.gz YETYSQPEDUAORW-HSZRJFAPSA-N 1 2 489.686 2.549 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001292015546 1064645926 /nfs/dbraw/zinc/64/59/26/1064645926.db2.gz YXVXCMFVUCQLRJ-UHFFFAOYSA-N 1 2 464.655 2.701 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001292015546 1064645934 /nfs/dbraw/zinc/64/59/34/1064645934.db2.gz YXVXCMFVUCQLRJ-UHFFFAOYSA-N 1 2 464.655 2.701 20 0 JFADLO CN1CCN(S(=O)(=O)c2cccc(NC(=O)C[C@@H](c3[nH]cc[nH+]3)c3ccccc3)c2)CC1 ZINC001292019169 1064657101 /nfs/dbraw/zinc/65/71/01/1064657101.db2.gz BRUWCHGICZWGRD-OAQYLSRUSA-N 1 2 453.568 2.507 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@@H]2C)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001292043125 1064708930 /nfs/dbraw/zinc/70/89/30/1064708930.db2.gz DAKDXESGRSSSHV-MSOLQXFVSA-N 1 2 455.607 2.711 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001292046684 1064711788 /nfs/dbraw/zinc/71/17/88/1064711788.db2.gz VBYUOAQLCPBIET-SJLPKXTDSA-N 1 2 455.611 2.543 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001292046684 1064711802 /nfs/dbraw/zinc/71/18/02/1064711802.db2.gz VBYUOAQLCPBIET-SJLPKXTDSA-N 1 2 455.611 2.543 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1Cc1cccnc1OC ZINC001292073430 1064751643 /nfs/dbraw/zinc/75/16/43/1064751643.db2.gz FTBZRURSBUKDQM-UHFFFAOYSA-N 1 2 478.601 2.672 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1Cc1ccc(F)cc1 ZINC001292122292 1064856642 /nfs/dbraw/zinc/85/66/42/1064856642.db2.gz PILLEUFHULOFAD-UHFFFAOYSA-N 1 2 466.565 2.809 20 0 JFADLO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1occc1CS(=O)(=O)c1ccc(Br)cc1 ZINC001292122927 1064859982 /nfs/dbraw/zinc/85/99/82/1064859982.db2.gz YFZQPRIZUMGXMF-OAHLLOKOSA-N 1 2 453.358 2.983 20 0 JFADLO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1occc1CS(=O)(=O)c1ccc(Br)cc1 ZINC001292122927 1064859994 /nfs/dbraw/zinc/85/99/94/1064859994.db2.gz YFZQPRIZUMGXMF-OAHLLOKOSA-N 1 2 453.358 2.983 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccco3)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001292135920 1064902503 /nfs/dbraw/zinc/90/25/03/1064902503.db2.gz DSITVWKMRZSKAY-UNMCSNQZSA-N 1 2 488.633 2.724 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCOC[C@@H](C3CCC3)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001292147173 1064925718 /nfs/dbraw/zinc/92/57/18/1064925718.db2.gz VCUPISSFEPCYER-FQEVSTJZSA-N 1 2 469.634 2.959 20 0 JFADLO Cc1cc(S(=O)(=O)N2CCN(C(=O)Cc3c[nH+]cn3Cc3ccccc3)CC2)c(C)s1 ZINC001292238863 1065023067 /nfs/dbraw/zinc/02/30/67/1065023067.db2.gz OTNFLIQITWCFEY-UHFFFAOYSA-N 1 2 458.609 2.685 20 0 JFADLO CC[C@H](Cn1c(CCOc2ccccc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)OC ZINC001292239114 1065023408 /nfs/dbraw/zinc/02/34/08/1065023408.db2.gz BFZMQEFXQFYDIY-HXUWFJFHSA-N 1 2 451.575 2.750 20 0 JFADLO CCC(O)(CC)Cn1c(N2CCc3c(cc[nH+]c3N(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001292294021 1065065979 /nfs/dbraw/zinc/06/59/79/1065065979.db2.gz PBUOFZOADQHPFT-VWLOTQADSA-N 1 2 472.634 2.894 20 0 JFADLO CCc1ccc(-c2nnc(N3CC[C@H]([NH+]4CCN(C(C)C)CC4)C3)n2CC(C)(C)C(=O)NC)cc1 ZINC001292499838 1065220142 /nfs/dbraw/zinc/22/01/42/1065220142.db2.gz ZBGQFFXKBWGWHJ-QHCPKHFHSA-N 1 2 481.689 2.884 20 0 JFADLO CCc1ccc(-c2nnc(N3CC[NH+]([C@H](C)C(=O)N4CCCC4)CC3)n2C[C@@H](F)COC)cc1 ZINC001292518611 1065243031 /nfs/dbraw/zinc/24/30/31/1065243031.db2.gz QDISRPUYFSKCAK-DENIHFKCSA-N 1 2 472.609 2.625 20 0 JFADLO CCc1ccccc1NC(=O)CN(C)c1nnc(Cc2ccncc2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001292576916 1065287392 /nfs/dbraw/zinc/28/73/92/1065287392.db2.gz AWQCCAMYTHKCRA-FQEVSTJZSA-N 1 2 477.613 2.622 20 0 JFADLO CCc1ccccc1NC(=O)CN(C)c1nnc([C@H]2CCCOC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001292579719 1065295898 /nfs/dbraw/zinc/29/58/98/1065295898.db2.gz YWJRNWFGXXNANF-CTNGQTDRSA-N 1 2 470.618 2.530 20 0 JFADLO CCc1ccccc1NC(=O)CN(C)c1nnc([C@H]2CCCOC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001292579719 1065295908 /nfs/dbraw/zinc/29/59/08/1065295908.db2.gz YWJRNWFGXXNANF-CTNGQTDRSA-N 1 2 470.618 2.530 20 0 JFADLO CCc1ccccc1NC(=O)CN(C)c1nnc([C@@H]2CCCOC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001292579722 1065296005 /nfs/dbraw/zinc/29/60/05/1065296005.db2.gz YWJRNWFGXXNANF-TZIWHRDSSA-N 1 2 470.618 2.530 20 0 JFADLO CCc1ccccc1NC(=O)CN(C)c1nnc([C@@H]2CCCOC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001292579722 1065296016 /nfs/dbraw/zinc/29/60/16/1065296016.db2.gz YWJRNWFGXXNANF-TZIWHRDSSA-N 1 2 470.618 2.530 20 0 JFADLO CCc1ccccc1OCc1nnc(N2CCC[C@@H](NC(C)=O)C2)n1Cc1c[nH+]ccc1OC ZINC001292606600 1065332080 /nfs/dbraw/zinc/33/20/80/1065332080.db2.gz RZUYYNQFYJRVBZ-OAQYLSRUSA-N 1 2 464.570 2.976 20 0 JFADLO CCc1ccccc1OCc1nnc(N2CCSCC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001292618462 1065354239 /nfs/dbraw/zinc/35/42/39/1065354239.db2.gz BLCYJLDAWRBQND-FQEVSTJZSA-N 1 2 458.676 2.999 20 0 JFADLO CCc1cnc(CCn2c(Cc3csc(C)n3)nnc2N(C)CC[NH+]2CCOCC2)s1 ZINC001292631270 1065366843 /nfs/dbraw/zinc/36/68/43/1065366843.db2.gz MCPMBKBFNBUNPN-UHFFFAOYSA-N 1 2 461.661 2.664 20 0 JFADLO CCc1cnc(CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(N(C)C)[nH+]c2)s1 ZINC001292632907 1065369178 /nfs/dbraw/zinc/36/91/78/1065369178.db2.gz TUMLDFZCVQRHDY-UHFFFAOYSA-N 1 2 454.604 2.679 20 0 JFADLO CCc1cnc(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](Cc3cnc(C)s3)CC2)s1 ZINC001292649419 1065386436 /nfs/dbraw/zinc/38/64/36/1065386436.db2.gz WIAMGAUURKOYEA-UHFFFAOYSA-N 1 2 474.660 2.571 20 0 JFADLO CC(C)(C)OC(=O)Nc1ccc(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC001292727035 1065486930 /nfs/dbraw/zinc/48/69/30/1065486930.db2.gz ZEWBNVSFDXIDDN-UHFFFAOYSA-N 1 2 454.531 2.891 20 0 JFADLO CCc1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1CCCN1CCCCC1=O ZINC001292825504 1065567540 /nfs/dbraw/zinc/56/75/40/1065567540.db2.gz OSHFJIBQARGLRK-IBGZPJMESA-N 1 2 460.648 2.814 20 0 JFADLO Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)c1C ZINC001292831576 1065569895 /nfs/dbraw/zinc/56/98/95/1065569895.db2.gz UOEBDCATJOTCFO-WOJBJXKFSA-N 1 2 457.600 2.640 20 0 JFADLO Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)c1C ZINC001292831576 1065569904 /nfs/dbraw/zinc/56/99/04/1065569904.db2.gz UOEBDCATJOTCFO-WOJBJXKFSA-N 1 2 457.600 2.640 20 0 JFADLO CCc1nnc(N(CCO)Cc2ccc(F)c(Br)c2)n1CC1([NH+]2CCOCC2)CC1 ZINC001292888750 1065585895 /nfs/dbraw/zinc/58/58/95/1065585895.db2.gz JPNQWDZUACWXED-UHFFFAOYSA-N 1 2 482.398 2.606 20 0 JFADLO CCc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001292918154 1065604436 /nfs/dbraw/zinc/60/44/36/1065604436.db2.gz BAQYYAZIGZEXLD-OAHLLOKOSA-N 1 2 466.508 2.857 20 0 JFADLO COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001292921598 1065607046 /nfs/dbraw/zinc/60/70/46/1065607046.db2.gz MVXZDEZMBAYEEE-SFHVURJKSA-N 1 2 459.547 2.944 20 0 JFADLO CCc1nnc(N2CCC(CNC(C)=O)CC2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001292961644 1065643702 /nfs/dbraw/zinc/64/37/02/1065643702.db2.gz HFALFYMLKCZRGT-HSZRJFAPSA-N 1 2 454.619 2.575 20 0 JFADLO O=C(C[N@H+]1CCCN(C(=O)C2(c3cc(F)cc(Br)c3)CC2)CC1)N1CCCC1 ZINC001292984713 1065667935 /nfs/dbraw/zinc/66/79/35/1065667935.db2.gz BITDYDGWCUSVAQ-UHFFFAOYSA-N 1 2 452.368 2.777 20 0 JFADLO O=C(C[N@@H+]1CCCN(C(=O)C2(c3cc(F)cc(Br)c3)CC2)CC1)N1CCCC1 ZINC001292984713 1065667938 /nfs/dbraw/zinc/66/79/38/1065667938.db2.gz BITDYDGWCUSVAQ-UHFFFAOYSA-N 1 2 452.368 2.777 20 0 JFADLO CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001292985236 1065669468 /nfs/dbraw/zinc/66/94/68/1065669468.db2.gz GFVQTOSEYVVSMS-IBGZPJMESA-N 1 2 452.640 2.815 20 0 JFADLO CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001292985236 1065669474 /nfs/dbraw/zinc/66/94/74/1065669474.db2.gz GFVQTOSEYVVSMS-IBGZPJMESA-N 1 2 452.640 2.815 20 0 JFADLO CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCc3c[nH+]c(N(C)C)n3C)cc2)cc1 ZINC001292993448 1065680911 /nfs/dbraw/zinc/68/09/11/1065680911.db2.gz MPZBTOKIEOMGGE-UHFFFAOYSA-N 1 2 457.556 2.616 20 0 JFADLO CCc1nnc(N2CCC(OCCOC)CC2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001292995862 1065683646 /nfs/dbraw/zinc/68/36/46/1065683646.db2.gz YOGLJVDWGLWPMQ-HSZRJFAPSA-N 1 2 457.619 2.854 20 0 JFADLO CCc1nnc(N2CCN(C(=O)N(CC)CC)CC2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001293085490 1065735699 /nfs/dbraw/zinc/73/56/99/1065735699.db2.gz DZKZXFUMUFQAJR-QHCPKHFHSA-N 1 2 483.661 2.806 20 0 JFADLO CCc1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001293089636 1065738096 /nfs/dbraw/zinc/73/80/96/1065738096.db2.gz NATBYSBPKPMTSG-NRFANRHFSA-N 1 2 470.618 2.799 20 0 JFADLO CCc1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001293089636 1065738109 /nfs/dbraw/zinc/73/81/09/1065738109.db2.gz NATBYSBPKPMTSG-NRFANRHFSA-N 1 2 470.618 2.799 20 0 JFADLO CCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(C(=O)N(CC)CC)cc1 ZINC001293093451 1065741177 /nfs/dbraw/zinc/74/11/77/1065741177.db2.gz GYVRGSSGECKOGV-OAQYLSRUSA-N 1 2 495.672 2.504 20 0 JFADLO CCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCCN(C)c1ccccc1F ZINC001293095416 1065744973 /nfs/dbraw/zinc/74/49/73/1065744973.db2.gz RARJLXFTZQEFLY-FQEVSTJZSA-N 1 2 471.625 2.639 20 0 JFADLO CCc1nnc(N2CC[NH+](Cc3cc(F)ccc3OC)CC2)n1Cc1ccc(OC)nc1OC ZINC001293127934 1065778684 /nfs/dbraw/zinc/77/86/84/1065778684.db2.gz RNASZFSBDVDGDA-UHFFFAOYSA-N 1 2 470.549 2.771 20 0 JFADLO CCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001293130521 1065781750 /nfs/dbraw/zinc/78/17/50/1065781750.db2.gz HVUFDGQTPUQYEI-AKFKNWHVSA-N 1 2 476.710 2.913 20 0 JFADLO CCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@@H]1CCCCC1(F)F ZINC001293132690 1065785127 /nfs/dbraw/zinc/78/51/27/1065785127.db2.gz YNGSWHJNXUGVGO-VQTJNVASSA-N 1 2 454.610 2.897 20 0 JFADLO CCc1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1CCCN1CCOC1=O ZINC001293139302 1065790168 /nfs/dbraw/zinc/79/01/68/1065790168.db2.gz PLKOAUJYRDADGH-UHFFFAOYSA-N 1 2 462.982 2.537 20 0 JFADLO CCc1noc(C)c1Cn1c([C@@H](C)CC)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001293190136 1065817059 /nfs/dbraw/zinc/81/70/59/1065817059.db2.gz HLSVGOTYRLBPAX-ZWKOTPCHSA-N 1 2 457.623 2.832 20 0 JFADLO CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001293217094 1065857297 /nfs/dbraw/zinc/85/72/97/1065857297.db2.gz FIWNKZBJRLXDDS-SFHVURJKSA-N 1 2 471.512 2.771 20 0 JFADLO CC[C@H]1C(=O)NCCN1c1nnc(C(C)(C)C)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001293220794 1065872832 /nfs/dbraw/zinc/87/28/32/1065872832.db2.gz VCQJFNNUWGPUSK-LEWJYISDSA-N 1 2 454.619 2.672 20 0 JFADLO CC[C@H]1C(=O)NCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001293247010 1065911605 /nfs/dbraw/zinc/91/16/05/1065911605.db2.gz LJBKFDUXFCLYEL-APWZRJJASA-N 1 2 479.050 2.659 20 0 JFADLO CC[C@H]1C(=O)NCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCNc1cccc[nH+]1 ZINC001293248009 1065914067 /nfs/dbraw/zinc/91/40/67/1065914067.db2.gz UWGTWBATJYXLSV-WSTZPKSXSA-N 1 2 455.607 2.809 20 0 JFADLO CC[C@@H]1[C@H](C)CCN1c1nnc([C@H](C)OCCOC)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001293260506 1065923401 /nfs/dbraw/zinc/92/34/01/1065923401.db2.gz YOJYLXLTSNNVTI-AWWSKVOZSA-N 1 2 467.680 2.835 20 0 JFADLO Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC001293322567 1065948277 /nfs/dbraw/zinc/94/82/77/1065948277.db2.gz NSOVIQXUNOGBJL-SFHVURJKSA-N 1 2 453.967 2.847 20 0 JFADLO Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC001293322567 1065948289 /nfs/dbraw/zinc/94/82/89/1065948289.db2.gz NSOVIQXUNOGBJL-SFHVURJKSA-N 1 2 453.967 2.847 20 0 JFADLO CC[C@@H]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001293345251 1065957586 /nfs/dbraw/zinc/95/75/86/1065957586.db2.gz PWWZWXVZOXCVBW-KURKYZTESA-N 1 2 475.663 2.738 20 0 JFADLO Cc1ccc(S(=O)(=O)NC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)c2ccccc2)c(C)c1 ZINC001293398853 1065993099 /nfs/dbraw/zinc/99/30/99/1065993099.db2.gz NPOAACZLAQOBSS-LEWJYISDSA-N 1 2 452.580 2.898 20 0 JFADLO CC[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC001293455133 1066012119 /nfs/dbraw/zinc/01/21/19/1066012119.db2.gz LKRVWRGUYWXLGX-ZWKOTPCHSA-N 1 2 461.636 2.558 20 0 JFADLO CC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCc2nnc(C)[nH]2)CC[N@@H+]1CCOC ZINC001293537523 1066054701 /nfs/dbraw/zinc/05/47/01/1066054701.db2.gz NNLCPSAEDYOUEN-IBGZPJMESA-N 1 2 458.998 2.815 20 0 JFADLO CC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCc2nnc(C)[nH]2)CC[N@H+]1CCOC ZINC001293537523 1066054712 /nfs/dbraw/zinc/05/47/12/1066054712.db2.gz NNLCPSAEDYOUEN-IBGZPJMESA-N 1 2 458.998 2.815 20 0 JFADLO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[S@@](=O)CC)C[C@H]1[NH+]1CCOCC1 ZINC001293552474 1066067679 /nfs/dbraw/zinc/06/76/79/1066067679.db2.gz OVMQXDISITXECS-WTCFHCGNSA-N 1 2 466.051 2.914 20 0 JFADLO CC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC(C)(C)C)CC[N@@H+]1CCOC ZINC001293597832 1066110594 /nfs/dbraw/zinc/11/05/94/1066110594.db2.gz IIKHIRFNVFPXMH-MOPGFXCFSA-N 1 2 455.669 2.554 20 0 JFADLO CC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC(C)(C)C)CC[N@H+]1CCOC ZINC001293597832 1066110598 /nfs/dbraw/zinc/11/05/98/1066110598.db2.gz IIKHIRFNVFPXMH-MOPGFXCFSA-N 1 2 455.669 2.554 20 0 JFADLO CC[C@H]1CN(c2nnc(CC(C)(C)C)n2CC2(S(C)(=O)=O)CCCC2)CC[N@@H+]1CCOC ZINC001293603397 1066120029 /nfs/dbraw/zinc/12/00/29/1066120029.db2.gz YLSDVZBFXHKZOR-IBGZPJMESA-N 1 2 469.696 2.771 20 0 JFADLO CC[C@H]1CN(c2nnc(CC(C)(C)C)n2CC2(S(C)(=O)=O)CCCC2)CC[N@H+]1CCOC ZINC001293603397 1066120032 /nfs/dbraw/zinc/12/00/32/1066120032.db2.gz YLSDVZBFXHKZOR-IBGZPJMESA-N 1 2 469.696 2.771 20 0 JFADLO CC[C@@H]1CN(c2nnc(CSc3ccccc3OC)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001293652501 1066164653 /nfs/dbraw/zinc/16/46/53/1066164653.db2.gz PLDMOWMXNYEROA-RBUKOAKNSA-N 1 2 461.632 2.915 20 0 JFADLO CC[C@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001293652904 1066165195 /nfs/dbraw/zinc/16/51/95/1066165195.db2.gz PVPPJUVPMXEHHE-UFYCRDLUSA-N 1 2 478.638 2.686 20 0 JFADLO CC/C=C/Cn1c(COc2ccc(OC)cc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001293726119 1066184637 /nfs/dbraw/zinc/18/46/37/1066184637.db2.gz MPTFDOMPQQRWLI-YAQIIAKESA-N 1 2 482.629 2.965 20 0 JFADLO CCCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccncc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001293754219 1066229458 /nfs/dbraw/zinc/22/94/58/1066229458.db2.gz CLKCPSZAVKMNIT-NRFANRHFSA-N 1 2 462.602 2.658 20 0 JFADLO CCCC(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001293759167 1066241895 /nfs/dbraw/zinc/24/18/95/1066241895.db2.gz DXBNJJNGFCTTOE-ADYITMSISA-N 1 2 490.693 2.803 20 0 JFADLO COc1cc2cc(C(=O)N[C@@H](Cc3ccccc3)C[NH+]3CCOCC3)[nH]c2c(OC)c1OC ZINC001293766941 1066256791 /nfs/dbraw/zinc/25/67/91/1066256791.db2.gz NXZAXKWALUWGFO-IBGZPJMESA-N 1 2 453.539 2.867 20 0 JFADLO CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc1 ZINC001293773547 1066263775 /nfs/dbraw/zinc/26/37/75/1066263775.db2.gz UAANJTLQMQKIAZ-FQEVSTJZSA-N 1 2 458.628 2.950 20 0 JFADLO CCC[C@@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001293818812 1066326402 /nfs/dbraw/zinc/32/64/02/1066326402.db2.gz AJCMEDRMCLLGTQ-YADARESESA-N 1 2 457.623 2.882 20 0 JFADLO COc1cc(CCc2cc(NC(=O)c3cccn3CC[NH+]3CCOCC3)n[nH]2)cc(OC)c1 ZINC001293886955 1066389791 /nfs/dbraw/zinc/38/97/91/1066389791.db2.gz QRTVBTCXMBCRSS-UHFFFAOYSA-N 1 2 453.543 2.598 20 0 JFADLO C/C(=C\C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)c1ccccc1OC(F)F ZINC001293891288 1066392714 /nfs/dbraw/zinc/39/27/14/1066392714.db2.gz MLHAXCNJRFKXGM-SAPNQHFASA-N 1 2 459.497 2.667 20 0 JFADLO C/C(=C\C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)c1ccccc1OC(F)F ZINC001293891288 1066392728 /nfs/dbraw/zinc/39/27/28/1066392728.db2.gz MLHAXCNJRFKXGM-SAPNQHFASA-N 1 2 459.497 2.667 20 0 JFADLO C[C@H](CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)C[NH+]1CCOCC1 ZINC001293934018 1066414587 /nfs/dbraw/zinc/41/45/87/1066414587.db2.gz ZZRYQSJEQKSTEP-MRXNPFEDSA-N 1 2 451.976 2.839 20 0 JFADLO COc1ccc(N2C(=O)CC[C@H](C(=O)NCC[NH+]3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000033362365 563110519 /nfs/dbraw/zinc/11/05/19/563110519.db2.gz UOUXYBGEACAVNO-BKMJKUGQSA-N 1 2 497.592 2.645 20 0 JFADLO Brc1cccc2c([C@@H]3CN(c4ccc(CN5CCOCC5)cn4)CCO3)[nH+]cn21 ZINC001164419072 718889611 /nfs/dbraw/zinc/88/96/11/718889611.db2.gz PNLYBKPTTFLITP-SFHVURJKSA-N 1 2 458.360 2.902 20 0 JFADLO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3cnc(Cl)c(S(C)(=O)=O)c3)CC2)CC1 ZINC001164617067 719036029 /nfs/dbraw/zinc/03/60/29/719036029.db2.gz GBCGPQWQEKIMJY-UHFFFAOYSA-N 1 2 479.977 2.927 20 0 JFADLO O=C(CC1CC1)N[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C[C@H]2CCCO[C@@H]21 ZINC001164654903 719324161 /nfs/dbraw/zinc/32/41/61/719324161.db2.gz NQCWUERXAWZUDW-QQSVUBKYSA-N 1 2 461.610 2.935 20 0 JFADLO O=C(CC1CC1)N[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C[C@H]2CCCO[C@@H]21 ZINC001164654903 719324162 /nfs/dbraw/zinc/32/41/62/719324162.db2.gz NQCWUERXAWZUDW-QQSVUBKYSA-N 1 2 461.610 2.935 20 0 JFADLO O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@@]1(F)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164677708 719566697 /nfs/dbraw/zinc/56/66/97/719566697.db2.gz RVGTZXGETGRWHB-JOCHJYFZSA-N 1 2 486.939 2.788 20 0 JFADLO CCOC(=O)c1cnc(Cl)c(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)c1Cl ZINC001164704767 719846731 /nfs/dbraw/zinc/84/67/31/719846731.db2.gz SNOQUPPNKBSBJE-ZUOKHONESA-N 1 2 460.358 2.798 20 0 JFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)ncc1OCc1ccccc1 ZINC001164706999 719855858 /nfs/dbraw/zinc/85/58/58/719855858.db2.gz ZVLGRRSDLMOMDB-WZONZLPQSA-N 1 2 460.962 2.942 20 0 JFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc(Oc2ccc(F)cc2)n1 ZINC001164702885 719860230 /nfs/dbraw/zinc/86/02/30/719860230.db2.gz OETBVWZTNNOIET-BTYIYWSLSA-N 1 2 465.913 2.689 20 0 JFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)Cc1nc(Cl)cc(Cl)n1 ZINC001164703783 719865084 /nfs/dbraw/zinc/86/50/84/719865084.db2.gz KLQSALKAHGTIKV-PXAZEXFGSA-N 1 2 453.317 2.647 20 0 JFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2ccn(C(=O)c3ccccc3)c2n1 ZINC001164705651 719865565 /nfs/dbraw/zinc/86/55/65/719865565.db2.gz NIMVKRPVPBBQDO-QFQXNSOFSA-N 1 2 462.550 2.958 20 0 JFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2ccccc2nc1N1CCCCC1 ZINC001164707189 719866628 /nfs/dbraw/zinc/86/66/28/719866628.db2.gz RARMMKPDBWCUAT-CLOONOSVSA-N 1 2 453.587 2.853 20 0 JFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncccc1C(=O)N1CCc2ccccc21 ZINC001164706204 719867725 /nfs/dbraw/zinc/86/77/25/719867725.db2.gz PCGPTIJIDIXKEL-RXFWQSSRSA-N 1 2 464.566 2.517 20 0 JFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncccc1C(=O)N1CCc2ccccc21 ZINC001164706202 719867873 /nfs/dbraw/zinc/86/78/73/719867873.db2.gz PCGPTIJIDIXKEL-IBVKSMDESA-N 1 2 464.566 2.517 20 0 JFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2c(-c3ccccc3)nsc21 ZINC001164700684 719869228 /nfs/dbraw/zinc/86/92/28/719869228.db2.gz FLKXCWBDFYZOGW-HXOBKFHXSA-N 1 2 453.568 2.986 20 0 JFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2oc(-c3ccc(C)cc3)nc21 ZINC001164707811 719869882 /nfs/dbraw/zinc/86/98/82/719869882.db2.gz VPLHTBQPDXWFDJ-HOYKHHGWSA-N 1 2 451.527 2.826 20 0 JFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(C(=O)NC2CCCC2)cc1Cl ZINC001164700446 719870018 /nfs/dbraw/zinc/87/00/18/719870018.db2.gz DMNDPUFEENJYIR-MBSDFSHPSA-N 1 2 464.994 2.640 20 0 JFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)OCc2ccccc2)cn1 ZINC001164700539 719871312 /nfs/dbraw/zinc/87/13/12/719871312.db2.gz DVDBWUDQHZGKFG-SQJMNOBHSA-N 1 2 453.539 2.671 20 0 JFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C)c(Cc2ccc(OC)cc2)c(C)n1 ZINC001164707632 719876653 /nfs/dbraw/zinc/87/66/53/719876653.db2.gz URSAKSJKUIXENK-LVXARBLLSA-N 1 2 468.598 2.926 20 0 JFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cncc(OCc2cccc(Cl)c2)n1 ZINC001164700486 719877411 /nfs/dbraw/zinc/87/74/11/719877411.db2.gz DQECRHVLCKYGAL-WMZHIEFXSA-N 1 2 460.962 2.942 20 0 JFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)Cc1nc2c(ncnc2Cl)s1 ZINC001164702158 719880501 /nfs/dbraw/zinc/88/05/01/719880501.db2.gz ONSSBSIFFIPRCY-SGTLLEGYSA-N 1 2 475.949 2.603 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(F)ccc1-c1ccc(Cl)nn1)CC2 ZINC001164708936 719928694 /nfs/dbraw/zinc/92/86/94/719928694.db2.gz VDJODHGYKOEGHR-UHFFFAOYSA-N 1 2 469.952 2.620 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN([C@@H](F)Oc1cccc(-c3ccc(Cl)nn3)c1)CC2 ZINC001164709028 719930107 /nfs/dbraw/zinc/93/01/07/719930107.db2.gz WNYTVHCLJHZZLE-XMMPIXPASA-N 1 2 499.978 2.608 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nnc(Cl)c3ccc(Cl)cc31)CC2 ZINC001164708780 719932416 /nfs/dbraw/zinc/93/24/16/719932416.db2.gz QBHIXKQSVVOVJU-UHFFFAOYSA-N 1 2 460.369 2.620 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1nc(Cl)c3cccc(F)c3n1)CC2 ZINC001164703794 720047166 /nfs/dbraw/zinc/04/71/66/720047166.db2.gz MVESODMZGURWML-UHFFFAOYSA-N 1 2 493.921 2.651 20 0 JFADLO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3[n-]cc(C(=O)OC)c31)CC2 ZINC001164718625 720125538 /nfs/dbraw/zinc/12/55/38/720125538.db2.gz TZEJHKVJBKYEGY-GOSISDBHSA-N 1 2 450.543 2.647 20 0 JFADLO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3[n-]cc(C(=O)OC)c31)CC2 ZINC001164718625 720125546 /nfs/dbraw/zinc/12/55/46/720125546.db2.gz TZEJHKVJBKYEGY-GOSISDBHSA-N 1 2 450.543 2.647 20 0 JFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3ccccc3OC)C2)C1 ZINC001164721804 720308512 /nfs/dbraw/zinc/30/85/12/720308512.db2.gz HWOXQQWPSOKMGF-QHCPKHFHSA-N 1 2 475.977 2.596 20 0 JFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3ccccc3OC)C2)C1 ZINC001164721804 720308519 /nfs/dbraw/zinc/30/85/19/720308519.db2.gz HWOXQQWPSOKMGF-QHCPKHFHSA-N 1 2 475.977 2.596 20 0 JFADLO COC(=O)c1c(Cl)ccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164824001 720359379 /nfs/dbraw/zinc/35/93/79/720359379.db2.gz GLZDWFQZGZXQMH-UHFFFAOYSA-N 1 2 463.991 2.600 20 0 JFADLO COC(=O)c1c(Cl)ccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164824001 720359384 /nfs/dbraw/zinc/35/93/84/720359384.db2.gz GLZDWFQZGZXQMH-UHFFFAOYSA-N 1 2 463.991 2.600 20 0 JFADLO CCOC(=O)c1nc2ccccc2c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164823126 720360517 /nfs/dbraw/zinc/36/05/17/720360517.db2.gz ATVGVSPKKOCPQD-UHFFFAOYSA-N 1 2 494.621 2.885 20 0 JFADLO CCOC(=O)c1nc2ccccc2c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164823126 720360522 /nfs/dbraw/zinc/36/05/22/720360522.db2.gz ATVGVSPKKOCPQD-UHFFFAOYSA-N 1 2 494.621 2.885 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5cnccc54)CC3)C2=O)cs1 ZINC001164825722 720364151 /nfs/dbraw/zinc/36/41/51/720364151.db2.gz UITWITYLNKONDT-UHFFFAOYSA-N 1 2 457.991 2.756 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5cnccc54)CC3)C2=O)cs1 ZINC001164825722 720364155 /nfs/dbraw/zinc/36/41/55/720364155.db2.gz UITWITYLNKONDT-UHFFFAOYSA-N 1 2 457.991 2.756 20 0 JFADLO COc1ccc2cnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)nc2c1 ZINC001164823311 720364250 /nfs/dbraw/zinc/36/42/50/720364250.db2.gz DNUQLLYRPGSDPW-UHFFFAOYSA-N 1 2 452.584 2.717 20 0 JFADLO COc1ccc2cnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)nc2c1 ZINC001164823311 720364258 /nfs/dbraw/zinc/36/42/58/720364258.db2.gz DNUQLLYRPGSDPW-UHFFFAOYSA-N 1 2 452.584 2.717 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN([C@H](F)Oc4cccc(Cl)n4)CC3)C2=O)cs1 ZINC001164819689 720369413 /nfs/dbraw/zinc/36/94/13/720369413.db2.gz FZDJWGMFJHRLRT-IBGZPJMESA-N 1 2 453.971 2.941 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN([C@H](F)Oc4cccc(Cl)n4)CC3)C2=O)cs1 ZINC001164819689 720369421 /nfs/dbraw/zinc/36/94/21/720369421.db2.gz FZDJWGMFJHRLRT-IBGZPJMESA-N 1 2 453.971 2.941 20 0 JFADLO COc1c(Cl)nc(C)nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164819304 720370054 /nfs/dbraw/zinc/37/00/54/720370054.db2.gz BNVLDWXYADOHMG-UHFFFAOYSA-N 1 2 450.996 2.525 20 0 JFADLO COc1c(Cl)nc(C)nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164819304 720370059 /nfs/dbraw/zinc/37/00/59/720370059.db2.gz BNVLDWXYADOHMG-UHFFFAOYSA-N 1 2 450.996 2.525 20 0 JFADLO COC(=O)c1ccc(Cl)c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164821178 720372465 /nfs/dbraw/zinc/37/24/65/720372465.db2.gz ZOEHPHKJRGIANU-UHFFFAOYSA-N 1 2 463.991 2.600 20 0 JFADLO COC(=O)c1ccc(Cl)c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164821178 720372473 /nfs/dbraw/zinc/37/24/73/720372473.db2.gz ZOEHPHKJRGIANU-UHFFFAOYSA-N 1 2 463.991 2.600 20 0 JFADLO COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CCN2C ZINC001164819223 720375621 /nfs/dbraw/zinc/37/56/21/720375621.db2.gz ADWQBPNKZSSSHP-WAYWQWQTSA-N 1 2 469.611 2.654 20 0 JFADLO COC(=O)/C=C\c1cc(C)cnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164819223 720375624 /nfs/dbraw/zinc/37/56/24/720375624.db2.gz ADWQBPNKZSSSHP-WAYWQWQTSA-N 1 2 469.611 2.654 20 0 JFADLO COC(=O)/C=C\c1cc(C)cnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164819223 720375629 /nfs/dbraw/zinc/37/56/29/720375629.db2.gz ADWQBPNKZSSSHP-WAYWQWQTSA-N 1 2 469.611 2.654 20 0 JFADLO Cc1noc(-c2ccc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)nc2)n1 ZINC001164820334 720380727 /nfs/dbraw/zinc/38/07/27/720380727.db2.gz NVSNFDUUUBMYFV-UHFFFAOYSA-N 1 2 453.572 2.518 20 0 JFADLO Cc1noc(-c2ccc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)nc2)n1 ZINC001164820334 720380738 /nfs/dbraw/zinc/38/07/38/720380738.db2.gz NVSNFDUUUBMYFV-UHFFFAOYSA-N 1 2 453.572 2.518 20 0 JFADLO COC(=O)c1nc(Cl)c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c(Cl)n1 ZINC001164825874 720385792 /nfs/dbraw/zinc/38/57/92/720385792.db2.gz VUZFDVOYMZYTHR-UHFFFAOYSA-N 1 2 499.424 2.648 20 0 JFADLO COC(=O)c1nc(Cl)c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c(Cl)n1 ZINC001164825874 720385801 /nfs/dbraw/zinc/38/58/01/720385801.db2.gz VUZFDVOYMZYTHR-UHFFFAOYSA-N 1 2 499.424 2.648 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cnc(Cl)nc1Cl)C2 ZINC001164828578 720431367 /nfs/dbraw/zinc/43/13/67/720431367.db2.gz XSVLDVHJULSJFY-ZDUSSCGKSA-N 1 2 477.343 2.514 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccnc1C1SCCCS1)C2 ZINC001164824047 720442397 /nfs/dbraw/zinc/44/23/97/720442397.db2.gz LLOITDFVRGHWHT-KRWDZBQOSA-N 1 2 476.672 2.531 20 0 JFADLO Cc1cccc2c(Cl)nnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c12 ZINC001164825803 720449666 /nfs/dbraw/zinc/44/96/66/720449666.db2.gz UXMVRZIYZGNTEV-KRWDZBQOSA-N 1 2 456.978 2.778 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc(-c3c[nH]c4ccccc43)n1)C2 ZINC001164827012 720450238 /nfs/dbraw/zinc/45/02/38/720450238.db2.gz YILSQWYMWZNSTD-LJQANCHMSA-N 1 2 473.581 2.811 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc(-c3c[nH]c4ccccc43)n1)C2 ZINC001164827011 720450534 /nfs/dbraw/zinc/45/05/34/720450534.db2.gz YILSQWYMWZNSTD-IBGZPJMESA-N 1 2 473.581 2.811 20 0 JFADLO CCOc1cc2ncnc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c2cc1OCC ZINC001164821895 720452740 /nfs/dbraw/zinc/45/27/40/720452740.db2.gz AJZOYMBNLGYXNA-IBGZPJMESA-N 1 2 496.612 2.613 20 0 JFADLO Cc1cc(Cl)ncc1C(F)(F)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164827258 720453091 /nfs/dbraw/zinc/45/30/91/720453091.db2.gz ZQAWWIBGSQUPAT-MRXNPFEDSA-N 1 2 455.937 2.774 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)C2 ZINC001164823457 720453195 /nfs/dbraw/zinc/45/31/95/720453195.db2.gz KECRQSICLKSFMC-HNNXBMFYSA-N 1 2 480.947 2.947 20 0 JFADLO Cc1ccc(Cl)nc1C(F)(F)N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164831301 720460144 /nfs/dbraw/zinc/46/01/44/720460144.db2.gz OLHIKIWTATVNAM-INIZCTEOSA-N 1 2 455.937 2.774 20 0 JFADLO Cc1nc2c3ccccc3oc2c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164829346 720460610 /nfs/dbraw/zinc/46/06/10/720460610.db2.gz FWNLBOWUWAYDJI-GOSISDBHSA-N 1 2 462.554 2.871 20 0 JFADLO Cc1cccc2nc(Cl)nc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c12 ZINC001164828824 720463691 /nfs/dbraw/zinc/46/36/91/720463691.db2.gz BAKWCTOCOJEYIK-QGZVFWFLSA-N 1 2 456.978 2.778 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(-c3cccnc3)nc3ccccc31)C2 ZINC001164829546 720471653 /nfs/dbraw/zinc/47/16/53/720471653.db2.gz GCGIDNMVYMHPOX-OAQYLSRUSA-N 1 2 485.592 2.878 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cc(C3CC3)nnc1Cl)C2 ZINC001164830811 720472204 /nfs/dbraw/zinc/47/22/04/720472204.db2.gz MFEGDYHIOSAGFA-INIZCTEOSA-N 1 2 482.963 2.738 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncnc3c(-c4ccccc4)nsc31)C2 ZINC001164832671 720472919 /nfs/dbraw/zinc/47/29/19/720472919.db2.gz VJCIQNVPVVRJQW-IBGZPJMESA-N 1 2 491.621 2.939 20 0 JFADLO CCOc1ccc(-c2ccc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nn2)cc1 ZINC001164832656 720474586 /nfs/dbraw/zinc/47/45/86/720474586.db2.gz VCEVJMHTQSXDMD-OAQYLSRUSA-N 1 2 478.597 2.728 20 0 JFADLO Cc1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc(-c2ccsc2)n1 ZINC001164829919 720474977 /nfs/dbraw/zinc/47/49/77/720474977.db2.gz HWCRBOMAVNIYCL-IBGZPJMESA-N 1 2 454.600 2.700 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(SCc3ccccc3)ncn1)C2 ZINC001164831723 720476008 /nfs/dbraw/zinc/47/60/08/720476008.db2.gz OWYABXSQCGMQDN-NRFANRHFSA-N 1 2 480.638 2.955 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)C2 ZINC001164833481 720478899 /nfs/dbraw/zinc/47/88/99/720478899.db2.gz OXWIHSFRDKITBW-GOSISDBHSA-N 1 2 492.020 2.876 20 0 JFADLO CCOC(=O)c1ccc(C(F)(F)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)c(Cl)n1 ZINC001164861761 720895911 /nfs/dbraw/zinc/89/59/11/720895911.db2.gz YOAYUUWFERAWKU-UHFFFAOYSA-N 1 2 478.887 2.668 20 0 JFADLO CS(=O)(=O)c1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)cnc1Cl ZINC001164757229 720984753 /nfs/dbraw/zinc/98/47/53/720984753.db2.gz NGJILLHRKRRJMJ-AWEZNQCLSA-N 1 2 460.934 2.943 20 0 JFADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871053 721166151 /nfs/dbraw/zinc/16/61/51/721166151.db2.gz DBAZUSOWXDOFOI-VXKWHMMOSA-N 1 2 483.569 2.896 20 0 JFADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871053 721166164 /nfs/dbraw/zinc/16/61/64/721166164.db2.gz DBAZUSOWXDOFOI-VXKWHMMOSA-N 1 2 483.569 2.896 20 0 JFADLO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncccc4S(=O)(=O)Nc4cccc(F)c4)C[C@@H]3C2)cn1 ZINC001164770116 721218714 /nfs/dbraw/zinc/21/87/14/721218714.db2.gz NETRKSFKRZOQSF-MOPGFXCFSA-N 1 2 470.574 2.713 20 0 JFADLO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncccc4S(=O)(=O)Nc4cccc(F)c4)C[C@@H]3C2)cn1 ZINC001164770116 721218718 /nfs/dbraw/zinc/21/87/18/721218718.db2.gz NETRKSFKRZOQSF-MOPGFXCFSA-N 1 2 470.574 2.713 20 0 JFADLO CS(=O)(=O)c1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)cnc1Cl ZINC001164768083 721278542 /nfs/dbraw/zinc/27/85/42/721278542.db2.gz JLPAVADBPMGXEX-CQSZACIVSA-N 1 2 483.928 2.990 20 0 JFADLO CCOC(=O)c1c2ccccn2c2ncnc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c12 ZINC001165011185 721693850 /nfs/dbraw/zinc/69/38/50/721693850.db2.gz YRSWZCZILCFMPT-UHFFFAOYSA-N 1 2 462.558 2.901 20 0 JFADLO CCOC(=O)c1c2ccccn2c2ncnc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c12 ZINC001165011185 721693852 /nfs/dbraw/zinc/69/38/52/721693852.db2.gz YRSWZCZILCFMPT-UHFFFAOYSA-N 1 2 462.558 2.901 20 0 JFADLO O=C(c1cccnc1N1C[C@H](OCC2CC2)[C@@H]2COC[C@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC001165015341 721762980 /nfs/dbraw/zinc/76/29/80/721762980.db2.gz OQSSEEBDOIRMJV-SDHSZQHLSA-N 1 2 462.594 2.670 20 0 JFADLO COCc1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(-c2ccccc2)n1 ZINC001164913280 721770647 /nfs/dbraw/zinc/77/06/47/721770647.db2.gz VNTZIFGTONTNPY-AREMUKBSSA-N 1 2 461.566 2.793 20 0 JFADLO COCc1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(-c2ccccc2)n1 ZINC001164913280 721770649 /nfs/dbraw/zinc/77/06/49/721770649.db2.gz VNTZIFGTONTNPY-AREMUKBSSA-N 1 2 461.566 2.793 20 0 JFADLO O=C(NCc1ccccc1)c1cccnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911347 721771492 /nfs/dbraw/zinc/77/14/92/721771492.db2.gz GISIEJNWJQCDLE-HHHXNRCGSA-N 1 2 473.577 2.514 20 0 JFADLO O=C(NCc1ccccc1)c1cccnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911347 721771496 /nfs/dbraw/zinc/77/14/96/721771496.db2.gz GISIEJNWJQCDLE-HHHXNRCGSA-N 1 2 473.577 2.514 20 0 JFADLO O=C(NCc1ccccc1)c1cccnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911349 721771941 /nfs/dbraw/zinc/77/19/41/721771941.db2.gz GISIEJNWJQCDLE-MHZLTWQESA-N 1 2 473.577 2.514 20 0 JFADLO O=C(NCc1ccccc1)c1cccnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911349 721771942 /nfs/dbraw/zinc/77/19/42/721771942.db2.gz GISIEJNWJQCDLE-MHZLTWQESA-N 1 2 473.577 2.514 20 0 JFADLO CCOC(=O)c1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc2ccccc21 ZINC001164916428 721781879 /nfs/dbraw/zinc/78/18/79/721781879.db2.gz QXRUWXJIQXWLBH-AREMUKBSSA-N 1 2 462.550 2.914 20 0 JFADLO CCOC(=O)c1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc2ccccc21 ZINC001164916428 721781881 /nfs/dbraw/zinc/78/18/81/721781881.db2.gz QXRUWXJIQXWLBH-AREMUKBSSA-N 1 2 462.550 2.914 20 0 JFADLO O=C1N(c2cncnc2)CC[C@@]12CCCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001165016509 721783448 /nfs/dbraw/zinc/78/34/48/721783448.db2.gz DDFCETDVQSVRAN-AREMUKBSSA-N 1 2 455.566 2.848 20 0 JFADLO O=C1N(c2cncnc2)CC[C@@]12CCCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001165016509 721783450 /nfs/dbraw/zinc/78/34/50/721783450.db2.gz DDFCETDVQSVRAN-AREMUKBSSA-N 1 2 455.566 2.848 20 0 JFADLO Fc1ccc(Oc2nc(Cl)nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164916664 721787674 /nfs/dbraw/zinc/78/76/74/721787674.db2.gz RXXJPZKJOBXMIV-HSZRJFAPSA-N 1 2 486.935 2.959 20 0 JFADLO 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CC1CCN(C(=O)c2cccnc2N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)CC1 ZINC001164948477 721978378 /nfs/dbraw/zinc/97/83/78/721978378.db2.gz ZXKMTERLRQGFGJ-UHFFFAOYSA-N 1 2 461.610 2.925 20 0 JFADLO C[C@@H]1CCCN(C(=O)c2ccc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nc2)C1 ZINC001164945119 721978471 /nfs/dbraw/zinc/97/84/71/721978471.db2.gz CWSBJWUIZPDCMJ-OAQYLSRUSA-N 1 2 461.610 2.925 20 0 JFADLO C[C@@H]1CCCN(C(=O)c2ccc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nc2)C1 ZINC001164945119 721978476 /nfs/dbraw/zinc/97/84/76/721978476.db2.gz CWSBJWUIZPDCMJ-OAQYLSRUSA-N 1 2 461.610 2.925 20 0 JFADLO CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1 ZINC001164945582 721979124 /nfs/dbraw/zinc/97/91/24/721979124.db2.gz ARSQUDWFQPXXOM-HXUWFJFHSA-N 1 2 485.654 2.520 20 0 JFADLO CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1 ZINC001164945582 721979126 /nfs/dbraw/zinc/97/91/26/721979126.db2.gz ARSQUDWFQPXXOM-HXUWFJFHSA-N 1 2 485.654 2.520 20 0 JFADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@H]2CCCO[C@H]12)c1cscn1 ZINC001164949687 721999822 /nfs/dbraw/zinc/99/98/22/721999822.db2.gz FFVDVZNDODIWRN-AKIFATBCSA-N 1 2 476.606 2.658 20 0 JFADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@H]2CCCO[C@H]12)c1cscn1 ZINC001164949687 721999823 /nfs/dbraw/zinc/99/98/23/721999823.db2.gz FFVDVZNDODIWRN-AKIFATBCSA-N 1 2 476.606 2.658 20 0 JFADLO CC(C)NC(=O)[C@@H]1C[C@@H]2OCCN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)[C@H]2C1 ZINC001164995524 722215479 /nfs/dbraw/zinc/21/54/79/722215479.db2.gz JPCZSOQZFFZDHH-HVCNVCAESA-N 1 2 491.636 2.548 20 0 JFADLO COCCO[C@@H]1CCN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@@H]1Cc1cnn(C)c1 ZINC001164999309 722222589 /nfs/dbraw/zinc/22/25/89/722222589.db2.gz QISNJUQSBDSWGQ-JWQCQUIFSA-N 1 2 462.598 2.621 20 0 JFADLO COCCO[C@@H]1CCN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@@H]1Cc1cnn(C)c1 ZINC001164999309 722222592 /nfs/dbraw/zinc/22/25/92/722222592.db2.gz QISNJUQSBDSWGQ-JWQCQUIFSA-N 1 2 462.598 2.621 20 0 JFADLO O=C(CCCNC(=O)OCc1ccccc1)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC001264342330 1059576991 /nfs/dbraw/zinc/57/69/91/1059576991.db2.gz XKMVRBNXSDSKOP-UHFFFAOYSA-N 1 2 452.555 2.912 20 0 JFADLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC001264350858 1059581975 /nfs/dbraw/zinc/58/19/75/1059581975.db2.gz KMVBRYPHBJXJPR-WSVATBPTSA-N 1 2 457.462 2.871 20 0 JFADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCC(c2ccccc2)CC1 ZINC001264557585 1059612122 /nfs/dbraw/zinc/61/21/22/1059612122.db2.gz LHFKQLFUOMKPJZ-UHFFFAOYSA-N 1 2 456.612 2.624 20 0 JFADLO CN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H](c3cccc(Cl)c3)[NH+](C)C)c2)CC1 ZINC001264778549 1059673842 /nfs/dbraw/zinc/67/38/42/1059673842.db2.gz GQSTUJNEWPILFB-HXUWFJFHSA-N 1 2 450.992 2.518 20 0 JFADLO O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1C[NH+]1CCOCC1 ZINC001264874307 1059712741 /nfs/dbraw/zinc/71/27/41/1059712741.db2.gz STFCLWRFDGCTME-UHFFFAOYSA-N 1 2 457.596 2.623 20 0 JFADLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CCC(=O)N1CCOc2ccccc21 ZINC001264924632 1059729854 /nfs/dbraw/zinc/72/98/54/1059729854.db2.gz XANYOMGEMJNGHX-OAQYLSRUSA-N 1 2 451.567 2.942 20 0 JFADLO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC001264964117 1059741601 /nfs/dbraw/zinc/74/16/01/1059741601.db2.gz RJIWFRUGDQHULS-MJGOQNOKSA-N 1 2 454.531 2.944 20 0 JFADLO Cc1cc(OC(F)F)c(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)s1 ZINC001265019309 1059753748 /nfs/dbraw/zinc/75/37/48/1059753748.db2.gz UBXWCJJMZFWBSY-AWEZNQCLSA-N 1 2 453.515 2.683 20 0 JFADLO Cc1cc(OC(F)F)c(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)s1 ZINC001265019309 1059753760 /nfs/dbraw/zinc/75/37/60/1059753760.db2.gz UBXWCJJMZFWBSY-AWEZNQCLSA-N 1 2 453.515 2.683 20 0 JFADLO O=C(CCc1ccc(Cl)cc1Cl)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001265419514 1059851542 /nfs/dbraw/zinc/85/15/42/1059851542.db2.gz HCUOGTRLCXDBIV-UHFFFAOYSA-N 1 2 450.370 2.901 20 0 JFADLO O=C(CCc1ccc(Cl)cc1Cl)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001265419514 1059851572 /nfs/dbraw/zinc/85/15/72/1059851572.db2.gz HCUOGTRLCXDBIV-UHFFFAOYSA-N 1 2 450.370 2.901 20 0 JFADLO COc1cccc([C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c2cc(F)ccc2OC)c1 ZINC001265778494 1059923466 /nfs/dbraw/zinc/92/34/66/1059923466.db2.gz LURUNNFEJZXUBY-QDSKXPNFSA-N 1 2 458.530 2.928 20 0 JFADLO O=C(Nc1cc(I)ccc1Cl)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001266027714 1059955547 /nfs/dbraw/zinc/95/55/47/1059955547.db2.gz UWERBKWJFDRJRK-DOMZBBRYSA-N 1 2 450.704 2.763 20 0 JFADLO CC(=O)N1CCC(Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)CC[NH+]2CCOCC2)CC1 ZINC001286852650 1061191118 /nfs/dbraw/zinc/19/11/18/1061191118.db2.gz XMODVEJSFCMODT-UHFFFAOYSA-N 1 2 492.571 2.573 20 0 JFADLO CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001286853290 1061196148 /nfs/dbraw/zinc/19/61/48/1061196148.db2.gz YVZFNBQFICTECV-NQIIRXRSSA-N 1 2 475.037 2.548 20 0 JFADLO CC(=O)N1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001286860438 1061227859 /nfs/dbraw/zinc/22/78/59/1061227859.db2.gz GSNRNUQRBRVEBL-JOCHJYFZSA-N 1 2 454.619 2.535 20 0 JFADLO CC(=O)N1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001286860438 1061227882 /nfs/dbraw/zinc/22/78/82/1061227882.db2.gz GSNRNUQRBRVEBL-JOCHJYFZSA-N 1 2 454.619 2.535 20 0 JFADLO CC(=O)N1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001286863902 1061240390 /nfs/dbraw/zinc/24/03/90/1061240390.db2.gz ZCHNIEJGOKPBRM-LJQANCHMSA-N 1 2 488.608 2.727 20 0 JFADLO Cc1ccc(-c2nnc(N3CC[NH+](CC(=O)N4CCCC[C@@H]4C)CC3)n2CCCNC(=O)C(C)C)o1 ZINC001289599809 1061243869 /nfs/dbraw/zinc/24/38/69/1061243869.db2.gz GGKWJXPOWGKHOX-FQEVSTJZSA-N 1 2 499.660 2.532 20 0 JFADLO CC(=O)N1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001286866632 1061249476 /nfs/dbraw/zinc/24/94/76/1061249476.db2.gz NAWATQRQZLUVGH-QFIPXVFZSA-N 1 2 483.567 2.904 20 0 JFADLO Cc1ccc(CCn2c(N(C)CC[NH+]3CCOCC3)nnc2[C@]2(OC(C)C)CCOC2)c(C)c1 ZINC001289630334 1061264922 /nfs/dbraw/zinc/26/49/22/1061264922.db2.gz RKAQGTPPRZPPOA-SANMLTNESA-N 1 2 471.646 2.947 20 0 JFADLO Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCc3c(cc[nH+]c3N(C)C)C2)c(C)c1 ZINC001289662767 1061283527 /nfs/dbraw/zinc/28/35/27/1061283527.db2.gz PCRYNMFXDUJUSE-GOSISDBHSA-N 1 2 483.642 2.577 20 0 JFADLO Cc1ccc(N(C)c2nnc(C(=O)NC(C)C)n2C[C@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC001289708168 1061318223 /nfs/dbraw/zinc/31/82/23/1061318223.db2.gz SHUMTHYUYKGFPP-HSZRJFAPSA-N 1 2 458.632 2.701 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)Cc2ccoc2)CC1 ZINC001286888776 1061343678 /nfs/dbraw/zinc/34/36/78/1061343678.db2.gz FLPPOTPHILMQPM-GOSISDBHSA-N 1 2 470.549 2.951 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3cc(C)cc(C)c3)nnc2N(C)Cc2ccco2)CC1 ZINC001286888929 1061344849 /nfs/dbraw/zinc/34/48/49/1061344849.db2.gz CNBCJCFZLSJWAN-UHFFFAOYSA-N 1 2 466.586 2.867 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3cccc(C)c3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001286889136 1061345701 /nfs/dbraw/zinc/34/57/01/1061345701.db2.gz DLVYIKONSGBOHM-HSZRJFAPSA-N 1 2 484.645 2.581 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(CCCO)CC2)CC1 ZINC001286889140 1061345854 /nfs/dbraw/zinc/34/58/54/1061345854.db2.gz DMYXUDMZRNMJQF-UHFFFAOYSA-N 1 2 498.672 2.627 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3c(F)cccc3F)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001286889389 1061347893 /nfs/dbraw/zinc/34/78/93/1061347893.db2.gz FKMCKULJECTJDU-JOCHJYFZSA-N 1 2 492.640 2.889 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CCOC3(C2)CCCCCC3)CC1 ZINC001286889393 1061348119 /nfs/dbraw/zinc/34/81/19/1061348119.db2.gz FMCUQNQJJPYTLI-UHFFFAOYSA-N 1 2 460.667 2.960 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(CC3CCCC3)nnc2N(C)CCOc2cccc(C)c2)CC1 ZINC001286889722 1061349604 /nfs/dbraw/zinc/34/96/04/1061349604.db2.gz JQTGKXMJFCWSTD-UHFFFAOYSA-N 1 2 468.646 2.999 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C)c(C)c3)nnc2N2CCSC[C@@H]2C)CC1 ZINC001286889906 1061352399 /nfs/dbraw/zinc/35/23/99/1061352399.db2.gz MXFPPYCVXREVII-FQEVSTJZSA-N 1 2 472.659 2.580 20 0 JFADLO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](CC(N)=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)cc1C ZINC001289740562 1061353555 /nfs/dbraw/zinc/35/35/55/1061353555.db2.gz TWIFTPOAACYECQ-LJQANCHMSA-N 1 2 490.612 2.748 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(CCc3ccccc3)nnc2N2CCS[C@H](C)[C@H]2C)CC1 ZINC001286890513 1061355501 /nfs/dbraw/zinc/35/55/01/1061355501.db2.gz RQRPBQDQAIRPGU-WOJBJXKFSA-N 1 2 456.660 2.558 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccsc3)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001286890897 1061357019 /nfs/dbraw/zinc/35/70/19/1061357019.db2.gz UTLLNZUCFOWTIF-HXUWFJFHSA-N 1 2 462.689 2.672 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(N(C)C[C@@H](C)c3ccccc3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001286891008 1061357575 /nfs/dbraw/zinc/35/75/75/1061357575.db2.gz XZRIZYAMOAVJEL-AJTFRIOCSA-N 1 2 498.672 2.723 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccsc3)nnc2N(C)CCCc2ccccn2)CC1 ZINC001286891358 1061359664 /nfs/dbraw/zinc/35/96/64/1061359664.db2.gz YJGWQMGNQIFDEU-UHFFFAOYSA-N 1 2 467.643 2.559 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(C3CCC3)nnc2N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001286891622 1061361805 /nfs/dbraw/zinc/36/18/05/1061361805.db2.gz LMWFZPKXEPFKCT-OAQYLSRUSA-N 1 2 489.665 2.545 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCCO3)nnc2N(C)CCOc2cccc(Cl)c2)CC1 ZINC001286892589 1061365772 /nfs/dbraw/zinc/36/57/72/1061365772.db2.gz XNTHDSBPLZYQGM-JOCHJYFZSA-N 1 2 491.036 2.852 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCCCO3)nnc2N(C)Cc2cccc(Cl)c2)CC1 ZINC001286892594 1061365828 /nfs/dbraw/zinc/36/58/28/1061365828.db2.gz XQJLXWYRBKGQBH-NRFANRHFSA-N 1 2 461.010 2.974 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(C3CCCC3)nnc2N(C)Cc2cnc(C(C)C)nc2)CC1 ZINC001286892679 1061366310 /nfs/dbraw/zinc/36/63/10/1061366310.db2.gz ZNTCEWYULQRCCR-UHFFFAOYSA-N 1 2 454.623 2.650 20 0 JFADLO CC(=O)NC1CCC(N(C)c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001286904146 1061408490 /nfs/dbraw/zinc/40/84/90/1061408490.db2.gz RMOFRBLOAKSVRL-RBKXMNCYSA-N 1 2 484.645 2.504 20 0 JFADLO CC(=O)NC1CCC(N(C)c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001286904146 1061408500 /nfs/dbraw/zinc/40/85/00/1061408500.db2.gz RMOFRBLOAKSVRL-RBKXMNCYSA-N 1 2 484.645 2.504 20 0 JFADLO CC(=O)N[C@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001286910261 1061456339 /nfs/dbraw/zinc/45/63/39/1061456339.db2.gz RMKVORWOVQLKAW-UWJYYQICSA-N 1 2 471.556 2.970 20 0 JFADLO CCC[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC001294095426 1061574092 /nfs/dbraw/zinc/57/40/92/1061574092.db2.gz OWRRVGPUQYFKHX-NHCUHLMSSA-N 1 2 495.715 2.692 20 0 JFADLO CCC[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC001294095426 1061574109 /nfs/dbraw/zinc/57/41/09/1061574109.db2.gz OWRRVGPUQYFKHX-NHCUHLMSSA-N 1 2 495.715 2.692 20 0 JFADLO Cc1[nH+]ccn1CCCn1c(-c2cccc(C)n2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001289931691 1061624558 /nfs/dbraw/zinc/62/45/58/1061624558.db2.gz NTCIFEFQKMCDMM-UHFFFAOYSA-N 1 2 452.607 2.791 20 0 JFADLO CC(=O)NC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCc2cccc(C)[nH+]2)CCO1 ZINC001286948522 1061659738 /nfs/dbraw/zinc/65/97/38/1061659738.db2.gz YQYZGPAYPZCKSJ-YTFSRNRJSA-N 1 2 484.645 2.874 20 0 JFADLO Cc1cccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2Cc2ccc(N(C)C)[nH+]c2)n1 ZINC001289971506 1061675203 /nfs/dbraw/zinc/67/52/03/1061675203.db2.gz CECYHSKJJHOTAL-HXUWFJFHSA-N 1 2 462.602 2.899 20 0 JFADLO Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)n1 ZINC001289973233 1061684032 /nfs/dbraw/zinc/68/40/32/1061684032.db2.gz RMDLJSRPMUYHJA-OXJNMPFZSA-N 1 2 469.540 2.931 20 0 JFADLO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2ccc(C)o2)n1CC[N@H+]1CCOC[C@H]1C ZINC001286959460 1061729225 /nfs/dbraw/zinc/72/92/25/1061729225.db2.gz XBWKANRZVSXZDL-QGZVFWFLSA-N 1 2 472.615 2.771 20 0 JFADLO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2ccc(C)o2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001286959460 1061729239 /nfs/dbraw/zinc/72/92/39/1061729239.db2.gz XBWKANRZVSXZDL-QGZVFWFLSA-N 1 2 472.615 2.771 20 0 JFADLO Cc1cccc(CCCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)[nH+]1 ZINC001290003968 1061730187 /nfs/dbraw/zinc/73/01/87/1061730187.db2.gz WFVNKNGXYROICT-NRFANRHFSA-N 1 2 481.645 2.839 20 0 JFADLO Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)[nH+]1 ZINC001290004269 1061730810 /nfs/dbraw/zinc/73/08/10/1061730810.db2.gz ZIYQBBKLXNPPIL-HXUWFJFHSA-N 1 2 469.634 2.884 20 0 JFADLO Cc1cccc(CCCn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)CCS(C)(=O)=O)[nH+]1 ZINC001290008173 1061732544 /nfs/dbraw/zinc/73/25/44/1061732544.db2.gz RDZDIOWFBFKBRO-UHFFFAOYSA-N 1 2 479.610 2.948 20 0 JFADLO Cc1nc(Cc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CCCc2cccc(C)[nH+]2)cs1 ZINC001290010886 1061735267 /nfs/dbraw/zinc/73/52/67/1061735267.db2.gz YQBVVWKHRGINHP-LJQANCHMSA-N 1 2 460.629 2.593 20 0 JFADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CCOCC(F)F)CC1 ZINC001286971932 1061750579 /nfs/dbraw/zinc/75/05/79/1061750579.db2.gz CDXGLZFBBGISFR-HNNXBMFYSA-N 1 2 482.963 2.669 20 0 JFADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC(F)F)CC1 ZINC001286971973 1061751732 /nfs/dbraw/zinc/75/17/32/1061751732.db2.gz MIPJDVYNVMKSHY-INIZCTEOSA-N 1 2 497.978 2.756 20 0 JFADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)C(F)(F)F)CC1 ZINC001286972124 1061752408 /nfs/dbraw/zinc/75/24/08/1061752408.db2.gz OFDUREZIASBHPN-GOSISDBHSA-N 1 2 493.578 2.985 20 0 JFADLO C[C@@H](C(=O)N1CCCC1)N1CCN(c2nnc(C(C)(C)C)n2CCCNc2cccc[nH+]2)CC1 ZINC001286972426 1061754230 /nfs/dbraw/zinc/75/42/30/1061754230.db2.gz RPRDJVOBMNYESN-FQEVSTJZSA-N 1 2 468.650 2.606 20 0 JFADLO C[C@@H](C(=O)NC1CCCC1)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001286973864 1061765159 /nfs/dbraw/zinc/76/51/59/1061765159.db2.gz XOIGKQNBFYWEEQ-IBGZPJMESA-N 1 2 482.677 2.654 20 0 JFADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccccn2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001286975353 1061776575 /nfs/dbraw/zinc/77/65/75/1061776575.db2.gz LVLBRKAMBYYSNH-FGSXEWAUSA-N 1 2 488.633 2.964 20 0 JFADLO Cc1cccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2Cc2ccc(N(C)C)[nH+]c2)c1 ZINC001290064507 1061789023 /nfs/dbraw/zinc/78/90/23/1061789023.db2.gz TTZSBJBORMIYOL-UHFFFAOYSA-N 1 2 463.586 2.767 20 0 JFADLO Cc1cccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)c1 ZINC001290066340 1061790420 /nfs/dbraw/zinc/79/04/20/1061790420.db2.gz LFVLMYBPTDCMDV-NRFANRHFSA-N 1 2 484.626 2.688 20 0 JFADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCOC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001286977800 1061793698 /nfs/dbraw/zinc/79/36/98/1061793698.db2.gz SPNGKGYDRGXXOZ-IGGJEDBVSA-N 1 2 481.638 2.872 20 0 JFADLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC[NH+]1CCSCC1 ZINC001286979626 1061807104 /nfs/dbraw/zinc/80/71/04/1061807104.db2.gz YVSNIIGRSWAYEZ-ROUUACIJSA-N 1 2 490.699 2.657 20 0 JFADLO C[C@H]([C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC[NH+]1CCSCC1)S(C)(=O)=O ZINC001286979628 1061807184 /nfs/dbraw/zinc/80/71/84/1061807184.db2.gz YVSNIIGRSWAYEZ-ZWKOTPCHSA-N 1 2 490.699 2.657 20 0 JFADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCCO2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001286982213 1061825193 /nfs/dbraw/zinc/82/51/93/1061825193.db2.gz PQAZPNLQSBVSFO-QWFCFKBJSA-N 1 2 476.647 2.821 20 0 JFADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCCO2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001286982214 1061825233 /nfs/dbraw/zinc/82/52/33/1061825233.db2.gz PQAZPNLQSBVSFO-WSTZPKSXSA-N 1 2 476.647 2.821 20 0 JFADLO Cc1ccccc1-c1nnc(N(C)CCS(C)(=O)=O)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290109296 1061836363 /nfs/dbraw/zinc/83/63/63/1061836363.db2.gz DOTZIHNCAAPQBN-KDURUIRLSA-N 1 2 463.648 2.622 20 0 JFADLO Cc1ccccc1-c1nnc(N(C)CCS(C)(=O)=O)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290109296 1061836381 /nfs/dbraw/zinc/83/63/81/1061836381.db2.gz DOTZIHNCAAPQBN-KDURUIRLSA-N 1 2 463.648 2.622 20 0 JFADLO Cc1ccccc1-c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CC[S@](=O)C(C)(C)C ZINC001290117677 1061845310 /nfs/dbraw/zinc/84/53/10/1061845310.db2.gz QAQUKQXKZJSZMD-WEZXKFLESA-N 1 2 459.660 2.959 20 0 JFADLO CC(C)(C)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001287001505 1061918162 /nfs/dbraw/zinc/91/81/62/1061918162.db2.gz TWQVFCZBFJNLDR-UHFFFAOYSA-N 1 2 468.524 2.749 20 0 JFADLO CC(C)(C)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCCNC(=O)c1cccc(O)c1 ZINC001287008756 1061935827 /nfs/dbraw/zinc/93/58/27/1061935827.db2.gz LXDYBRDGKKKYKH-UHFFFAOYSA-N 1 2 463.586 2.823 20 0 JFADLO CC(C)(C)c1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1C[C@H]1COCCO1 ZINC001287012575 1061945824 /nfs/dbraw/zinc/94/58/24/1061945824.db2.gz ZDLSVIFQEPYETR-SFHVURJKSA-N 1 2 464.010 2.845 20 0 JFADLO CC(C)(C)Cc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001287032409 1061987460 /nfs/dbraw/zinc/98/74/60/1061987460.db2.gz MKJCVBXFRAMMOC-UHFFFAOYSA-N 1 2 498.676 2.777 20 0 JFADLO O=C(OCc1ccccc1)N1CC[C@@](F)(C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC001290249088 1061988036 /nfs/dbraw/zinc/98/80/36/1061988036.db2.gz YIZJVZIXIWNIMQ-VWLOTQADSA-N 1 2 455.530 2.886 20 0 JFADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)CCC2 ZINC001290287451 1062017566 /nfs/dbraw/zinc/01/75/66/1062017566.db2.gz OAMZVRBVNONOOA-MOPGFXCFSA-N 1 2 484.649 2.630 20 0 JFADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(Cc3ccc(Cl)cc3)nnc1N(C)CCNS(C)(=O)=O)CCC2 ZINC001290293666 1062022330 /nfs/dbraw/zinc/02/23/30/1062022330.db2.gz IAUUBUIHOOWRLN-GOSISDBHSA-N 1 2 492.049 2.590 20 0 JFADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(Cc3csc(C)n3)nnc1N(C)CC(=O)NC(C)C)CCC2 ZINC001290297800 1062027122 /nfs/dbraw/zinc/02/71/22/1062027122.db2.gz XRCVMDHJEUPNEN-QGZVFWFLSA-N 1 2 456.620 2.677 20 0 JFADLO CCCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001294498401 1062036372 /nfs/dbraw/zinc/03/63/72/1062036372.db2.gz UTEUXRVJKZJAPN-RTBURBONSA-N 1 2 466.627 2.544 20 0 JFADLO CCCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001294498401 1062036391 /nfs/dbraw/zinc/03/63/91/1062036391.db2.gz UTEUXRVJKZJAPN-RTBURBONSA-N 1 2 466.627 2.544 20 0 JFADLO CCCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001294498399 1062036426 /nfs/dbraw/zinc/03/64/26/1062036426.db2.gz UTEUXRVJKZJAPN-OALUTQOASA-N 1 2 466.627 2.544 20 0 JFADLO CCCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001294498399 1062036446 /nfs/dbraw/zinc/03/64/46/1062036446.db2.gz UTEUXRVJKZJAPN-OALUTQOASA-N 1 2 466.627 2.544 20 0 JFADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)CC1 ZINC001294503143 1062038677 /nfs/dbraw/zinc/03/86/77/1062038677.db2.gz UPTMSUJNLZYBDY-SFHVURJKSA-N 1 2 459.568 2.505 20 0 JFADLO Cc1n[nH]c(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1I ZINC001290320802 1062046033 /nfs/dbraw/zinc/04/60/33/1062046033.db2.gz PBCFKDAMAGXUDU-UHFFFAOYSA-N 1 2 454.316 2.507 20 0 JFADLO CCCN(CCC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001294564513 1062081233 /nfs/dbraw/zinc/08/12/33/1062081233.db2.gz LWQOREFQVHLPBB-UXHICEINSA-N 1 2 480.654 2.934 20 0 JFADLO CCCN(CCC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001294564513 1062081256 /nfs/dbraw/zinc/08/12/56/1062081256.db2.gz LWQOREFQVHLPBB-UXHICEINSA-N 1 2 480.654 2.934 20 0 JFADLO C[C@H](Oc1cccc(Br)c1)C(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001294571075 1062084055 /nfs/dbraw/zinc/08/40/55/1062084055.db2.gz BNTAWIRTLFAOQI-HOCLYGCPSA-N 1 2 456.381 2.884 20 0 JFADLO C[C@H](Oc1cccc(Br)c1)C(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001294571075 1062084074 /nfs/dbraw/zinc/08/40/74/1062084074.db2.gz BNTAWIRTLFAOQI-HOCLYGCPSA-N 1 2 456.381 2.884 20 0 JFADLO CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001287058872 1062087410 /nfs/dbraw/zinc/08/74/10/1062087410.db2.gz NUJLAMKPZMTOBK-RBUKOAKNSA-N 1 2 478.638 2.734 20 0 JFADLO CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001287058872 1062087430 /nfs/dbraw/zinc/08/74/30/1062087430.db2.gz NUJLAMKPZMTOBK-RBUKOAKNSA-N 1 2 478.638 2.734 20 0 JFADLO Cc1nc(Cc2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2C[C@H](C)[NH+]2CCOCC2)cs1 ZINC001290394239 1062096453 /nfs/dbraw/zinc/09/64/53/1062096453.db2.gz DMSRRFTZEQBDLY-AWEZNQCLSA-N 1 2 498.579 2.743 20 0 JFADLO CCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC001294589585 1062101079 /nfs/dbraw/zinc/10/10/79/1062101079.db2.gz RFDWLRDEWARSMB-UHFFFAOYSA-N 1 2 453.522 2.805 20 0 JFADLO Cc1nc(Cc2nnc(N(C)CCS(C)(=O)=O)n2C[C@H](c2ccco2)[NH+]2CCCC2)cs1 ZINC001290403688 1062110785 /nfs/dbraw/zinc/11/07/85/1062110785.db2.gz ZCSGNLBQBGXGKD-GOSISDBHSA-N 1 2 478.644 2.545 20 0 JFADLO Cc1nc(Cc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)cs1 ZINC001290411027 1062131103 /nfs/dbraw/zinc/13/11/03/1062131103.db2.gz UXKGWNZUZRWPNI-KSSFIOAISA-N 1 2 475.569 2.527 20 0 JFADLO Cc1nc(Cc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)cs1 ZINC001290425526 1062174160 /nfs/dbraw/zinc/17/41/60/1062174160.db2.gz YWPUUPPFRAZSGK-KXBFYZLASA-N 1 2 489.596 2.917 20 0 JFADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C2(n3cccn3)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001294658747 1062205271 /nfs/dbraw/zinc/20/52/71/1062205271.db2.gz CHDCXJGGBLICJW-LJQANCHMSA-N 1 2 456.591 2.824 20 0 JFADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1 ZINC001294658422 1062205528 /nfs/dbraw/zinc/20/55/28/1062205528.db2.gz BOAWFFDDUGTRLB-RKPWUKJMSA-N 1 2 456.612 2.914 20 0 JFADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)CCCC3)C1 ZINC001294661166 1062211719 /nfs/dbraw/zinc/21/17/19/1062211719.db2.gz XJJGGNLDYPDANT-LJQANCHMSA-N 1 2 458.628 2.839 20 0 JFADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1 ZINC001290452695 1062229984 /nfs/dbraw/zinc/22/99/84/1062229984.db2.gz NVTGGPZWMOREAY-QGZVFWFLSA-N 1 2 453.465 2.643 20 0 JFADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1 ZINC001290452695 1062230004 /nfs/dbraw/zinc/23/00/04/1062230004.db2.gz NVTGGPZWMOREAY-QGZVFWFLSA-N 1 2 453.465 2.643 20 0 JFADLO C[C@@H]1CN(c2ccnc(C(=O)NC3CC[NH+](CC(=O)Nc4ccccc4)CC3)c2)C[C@H](C)O1 ZINC001290462902 1062246106 /nfs/dbraw/zinc/24/61/06/1062246106.db2.gz HLOYOVVDILHZLZ-KDURUIRLSA-N 1 2 451.571 2.528 20 0 JFADLO C[C@@H]1CN(c2ccnc(C(=O)NC3CC[NH+](CC(=O)Nc4ccccc4)CC3)c2)C[C@@H](C)O1 ZINC001290462910 1062246283 /nfs/dbraw/zinc/24/62/83/1062246283.db2.gz HLOYOVVDILHZLZ-RTBURBONSA-N 1 2 451.571 2.528 20 0 JFADLO O=C(c1cc(-c2ccc(OC(F)(F)F)cc2)n[nH]1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001294691626 1062250546 /nfs/dbraw/zinc/25/05/46/1062250546.db2.gz XDCUHGNIDROPMD-QGZVFWFLSA-N 1 2 454.449 2.539 20 0 JFADLO CC(C)(C)S(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001287084375 1062250761 /nfs/dbraw/zinc/25/07/61/1062250761.db2.gz NKZWXRCJDBIJBQ-UHFFFAOYSA-N 1 2 479.622 2.742 20 0 JFADLO CC(C)(C)[S@@](=O)CCn1c([C@H]2CCCO2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001287086549 1062263421 /nfs/dbraw/zinc/26/34/21/1062263421.db2.gz QHHYIJMQVKVMQJ-DIMBFDALSA-N 1 2 475.659 2.532 20 0 JFADLO CC(C)(C)[S@@](=O)CCn1c(CCOc2ccccc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001287087413 1062267034 /nfs/dbraw/zinc/26/70/34/1062267034.db2.gz LMJBXQLPDDEWCT-IFXFPORBSA-N 1 2 489.686 2.605 20 0 JFADLO CC(C)(C)[S@@](=O)CCn1c(C2CCC2)nnc1N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC001287090535 1062282715 /nfs/dbraw/zinc/28/27/15/1062282715.db2.gz XUNLEPNNGBNSHC-IFXFPORBSA-N 1 2 489.686 2.655 20 0 JFADLO Cc1ncc(C[NH+]2CCN(c3nnc(Cc4ccccc4C)n3CC(=O)NCC(F)F)CC2)s1 ZINC001290496023 1062283976 /nfs/dbraw/zinc/28/39/76/1062283976.db2.gz AVCULAFQVUCCCE-UHFFFAOYSA-N 1 2 489.596 2.646 20 0 JFADLO Cc1ncc(C[NH+]2CCN(c3nnc(-c4ccc(Cl)cc4)n3CC(=O)N(C)C)CC2)s1 ZINC001290496133 1062284830 /nfs/dbraw/zinc/28/48/30/1062284830.db2.gz GGTNNTHWPAWQSQ-UHFFFAOYSA-N 1 2 460.007 2.774 20 0 JFADLO Cc1ncc(C[NH+]2CCN(c3nnc(-c4cnn(C)c4)n3C[C@@](C)(O)CCC(C)C)CC2)s1 ZINC001290496519 1062286085 /nfs/dbraw/zinc/28/60/85/1062286085.db2.gz MEIOPCKJJSKMGB-QHCPKHFHSA-N 1 2 472.663 2.953 20 0 JFADLO Cc1ncc(C[NH+]2CCN(c3nnc([C@H]4CCOC4)n3CCCOC(F)(F)F)CC2)s1 ZINC001290496743 1062286771 /nfs/dbraw/zinc/28/67/71/1062286771.db2.gz ROMMJXVKDIHPIW-HNNXBMFYSA-N 1 2 460.526 2.796 20 0 JFADLO CC(C)(Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC001287092952 1062290643 /nfs/dbraw/zinc/29/06/43/1062290643.db2.gz FQUKOJVYRSSCGM-MRXNPFEDSA-N 1 2 479.050 2.646 20 0 JFADLO Cc1nc(N2CCN(c3nnc(CC(C)(C)C)n3CCCOC[C@@H]3CCCO3)CC2)cc[nH+]1 ZINC001290500997 1062292469 /nfs/dbraw/zinc/29/24/69/1062292469.db2.gz HIFIBVYYBKQOPW-FQEVSTJZSA-N 1 2 457.623 2.877 20 0 JFADLO Cc1nc(N2CCN(c3nnc(CC4CC4)n3C[C@@H](C)NC(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC001290501593 1062294563 /nfs/dbraw/zinc/29/45/63/1062294563.db2.gz QDFQNRJGXKKJBZ-MRXNPFEDSA-N 1 2 456.595 2.569 20 0 JFADLO CCCN1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ccc(N(C)C)[nH+]c2)CC1=O ZINC001294722738 1062300736 /nfs/dbraw/zinc/30/07/36/1062300736.db2.gz XKASJQKRKIWEJV-UHFFFAOYSA-N 1 2 493.612 2.920 20 0 JFADLO CC(C)Oc1cc(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)ccc1Br ZINC001290541931 1062342902 /nfs/dbraw/zinc/34/29/02/1062342902.db2.gz ZQVORYWTSLWSDJ-UHFFFAOYSA-N 1 2 459.348 2.875 20 0 JFADLO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC2([S@@](C)=O)CCC2)CC1 ZINC001290562133 1062363101 /nfs/dbraw/zinc/36/31/01/1062363101.db2.gz CDADNMXODAYFGQ-MGBGTMOVSA-N 1 2 475.707 2.840 20 0 JFADLO CC(C)C(=O)NC1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001287121792 1062368846 /nfs/dbraw/zinc/36/88/46/1062368846.db2.gz FVAWRSLDGDAZMC-UHFFFAOYSA-N 1 2 462.602 2.514 20 0 JFADLO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCCNc2cccc[nH+]2)C1 ZINC001287122367 1062372373 /nfs/dbraw/zinc/37/23/73/1062372373.db2.gz FSPMKYCCCJOQQJ-LJQANCHMSA-N 1 2 465.606 2.564 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2C[C@@H](c2ccsc2)[NH+](C)C)n1 ZINC001290586340 1062396238 /nfs/dbraw/zinc/39/62/38/1062396238.db2.gz KPPSDLUTHGSNDK-GGPKGHCWSA-N 1 2 493.703 2.762 20 0 JFADLO CC(C)[C@](C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001287143800 1062506777 /nfs/dbraw/zinc/50/67/77/1062506777.db2.gz AJJUELSQRYKKGG-JOCHJYFZSA-N 1 2 453.534 2.722 20 0 JFADLO CC(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001287155666 1062540094 /nfs/dbraw/zinc/54/00/94/1062540094.db2.gz FBQABTJMAWIQRQ-CEXWTWQISA-N 1 2 468.593 2.598 20 0 JFADLO CC(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001287155667 1062540764 /nfs/dbraw/zinc/54/07/64/1062540764.db2.gz FBQABTJMAWIQRQ-OTWHNJEPSA-N 1 2 468.593 2.598 20 0 JFADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC001290667823 1062578752 /nfs/dbraw/zinc/57/87/52/1062578752.db2.gz UHJSAGPRKFKTAV-SFTDATJTSA-N 1 2 454.575 2.686 20 0 JFADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC001290667823 1062578772 /nfs/dbraw/zinc/57/87/72/1062578772.db2.gz UHJSAGPRKFKTAV-SFTDATJTSA-N 1 2 454.575 2.686 20 0 JFADLO CC(C)c1ncc(CN(C)c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCOC[C@H]2C)cn1 ZINC001287172704 1062592928 /nfs/dbraw/zinc/59/29/28/1062592928.db2.gz SXCKZMDXMRFJAN-LJQANCHMSA-N 1 2 450.591 2.534 20 0 JFADLO CC(C)c1ncc(CN(C)c2nnc(Cc3ccncc3)n2CC[N@H+]2CCOC[C@H]2C)cn1 ZINC001287172704 1062592943 /nfs/dbraw/zinc/59/29/43/1062592943.db2.gz SXCKZMDXMRFJAN-LJQANCHMSA-N 1 2 450.591 2.534 20 0 JFADLO Cc1nnc(CCn2c(-c3cccc(OC(F)F)c3)nnc2N(C)CC[NH+]2CCOCC2)s1 ZINC001290686176 1062600982 /nfs/dbraw/zinc/60/09/82/1062600982.db2.gz MPLSWOQPMSWFQH-UHFFFAOYSA-N 1 2 479.557 2.718 20 0 JFADLO CC(C)c1nnc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001287194291 1062624488 /nfs/dbraw/zinc/62/44/88/1062624488.db2.gz MQQJFOJALDUOFX-IBGZPJMESA-N 1 2 472.609 2.794 20 0 JFADLO Cc1nnc(N(C)CC(=O)N(C)[C@H](C)c2ccccc2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001290708453 1062641789 /nfs/dbraw/zinc/64/17/89/1062641789.db2.gz CTFLWZIUXZSUSD-WOJBJXKFSA-N 1 2 477.613 2.911 20 0 JFADLO Cc1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001290714159 1062646286 /nfs/dbraw/zinc/64/62/86/1062646286.db2.gz VUCSSIWDAZOLEC-IBGZPJMESA-N 1 2 460.648 2.806 20 0 JFADLO CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001287214257 1062677614 /nfs/dbraw/zinc/67/76/14/1062677614.db2.gz LREKGSRZMQITKO-VQTJNVASSA-N 1 2 476.572 2.810 20 0 JFADLO CC(C)c1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1CCNC(=O)C1CC1 ZINC001287222095 1062707441 /nfs/dbraw/zinc/70/74/41/1062707441.db2.gz AGPKTLVKJHWAPH-UHFFFAOYSA-N 1 2 461.010 2.782 20 0 JFADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc(NC(=O)[C@H](C)n2cccn2)c1 ZINC001290811811 1062711879 /nfs/dbraw/zinc/71/18/79/1062711879.db2.gz RIAQZITZLJPITA-OXJNMPFZSA-N 1 2 451.531 2.518 20 0 JFADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(NC(=O)[C@H](C)n2cccn2)c1 ZINC001290811811 1062711895 /nfs/dbraw/zinc/71/18/95/1062711895.db2.gz RIAQZITZLJPITA-OXJNMPFZSA-N 1 2 451.531 2.518 20 0 JFADLO Cc1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001290824234 1062718576 /nfs/dbraw/zinc/71/85/76/1062718576.db2.gz NWJGABSBVAGRAR-NRFANRHFSA-N 1 2 485.633 2.950 20 0 JFADLO Cc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCC1CC(OC(C)(C)C)C1 ZINC001290875913 1062760239 /nfs/dbraw/zinc/76/02/39/1062760239.db2.gz HJGUADRPUYBCCU-VNXZQDSDSA-N 1 2 462.683 2.802 20 0 JFADLO Cc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1Cc1nc(C(C)(C)C)cs1 ZINC001290877423 1062762672 /nfs/dbraw/zinc/76/26/72/1062762672.db2.gz WBPYEOGDKMFRGC-IBGZPJMESA-N 1 2 461.680 2.620 20 0 JFADLO CC(C)[C@H]1OCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001287299091 1062772751 /nfs/dbraw/zinc/77/27/51/1062772751.db2.gz MQGQCPHYXLBWTC-YLJYHZDGSA-N 1 2 495.466 2.876 20 0 JFADLO CC(C)Cc1nnc(N(C)C[C@@H](c2cccs2)N2CCOCC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001287359426 1062828504 /nfs/dbraw/zinc/82/85/04/1062828504.db2.gz FKCBRQNWLLRQLL-RTWAWAEBSA-N 1 2 476.691 2.769 20 0 JFADLO CC(C)Cc1nnc(N(C)C[C@@H](c2cccs2)N2CCOCC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001287359426 1062828527 /nfs/dbraw/zinc/82/85/27/1062828527.db2.gz FKCBRQNWLLRQLL-RTWAWAEBSA-N 1 2 476.691 2.769 20 0 JFADLO CCC[C@@H]1C[C@H]1n1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001295031703 1062833535 /nfs/dbraw/zinc/83/35/35/1062833535.db2.gz UPFTXQLBNWQNLF-VAMGGRTRSA-N 1 2 478.638 2.716 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc([C@@H]4COCCN4C(=O)OC(C)(C)C)n3CC(C)C)CC2)on1 ZINC001290969806 1062843449 /nfs/dbraw/zinc/84/34/49/1062843449.db2.gz KMMMCJVDOKQNIX-FQEVSTJZSA-N 1 2 489.621 2.861 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3Cc3ccc(S(C)(=O)=O)cc3)CC2)on1 ZINC001290970061 1062844027 /nfs/dbraw/zinc/84/40/27/1062844027.db2.gz OZZHMXBQIYEDJT-UHFFFAOYSA-N 1 2 486.642 2.937 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc([C@H](C)Oc4ccc(F)cc4)n3CC(C)(C)O)CC2)on1 ZINC001290970435 1062844721 /nfs/dbraw/zinc/84/47/21/1062844721.db2.gz RBLRLUBJAGAVNQ-KRWDZBQOSA-N 1 2 458.538 2.947 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc(C)n3CC[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)on1 ZINC001290970826 1062846124 /nfs/dbraw/zinc/84/61/24/1062846124.db2.gz VZFDHZZIMJHICZ-LJQANCHMSA-N 1 2 459.595 2.852 20 0 JFADLO COc1ccc([C@@H]2[C@@H](C(=O)N3CC[NH+](Cc4cccc(OC)c4)CC3)CCC(=O)N2C)cc1 ZINC001287441261 1062872619 /nfs/dbraw/zinc/87/26/19/1062872619.db2.gz RACAXWVBOGABSH-UKILVPOCSA-N 1 2 451.567 2.958 20 0 JFADLO CC(C)Cc1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001287442060 1062874593 /nfs/dbraw/zinc/87/45/93/1062874593.db2.gz BHLLFKVRWIXRRS-LJQANCHMSA-N 1 2 489.621 2.615 20 0 JFADLO CC(C)Cc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001287448612 1062884827 /nfs/dbraw/zinc/88/48/27/1062884827.db2.gz DWOXXMIPMASPMQ-SFHVURJKSA-N 1 2 460.579 2.863 20 0 JFADLO CC(C)Cc1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001287454376 1062889824 /nfs/dbraw/zinc/88/98/24/1062889824.db2.gz PPSAUUJGMFFAHZ-CTNGQTDRSA-N 1 2 490.674 2.549 20 0 JFADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001290998024 1062890110 /nfs/dbraw/zinc/89/01/10/1062890110.db2.gz FGPNMOMVQNDPHQ-BRWVUGGUSA-N 1 2 475.594 2.744 20 0 JFADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001290998026 1062890260 /nfs/dbraw/zinc/89/02/60/1062890260.db2.gz FGPNMOMVQNDPHQ-IXDOHACOSA-N 1 2 475.594 2.744 20 0 JFADLO C[C@@H]1C[C@H](C)CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001291007340 1062903840 /nfs/dbraw/zinc/90/38/40/1062903840.db2.gz YASFGCFZVYNESI-JSXRDJHFSA-N 1 2 492.665 2.790 20 0 JFADLO C[C@@H]1C[C@H](C)CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001291007340 1062903870 /nfs/dbraw/zinc/90/38/70/1062903870.db2.gz YASFGCFZVYNESI-JSXRDJHFSA-N 1 2 492.665 2.790 20 0 JFADLO CCN(C)C(=O)Cn1c(Cc2ccsc2)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC001295078434 1062906714 /nfs/dbraw/zinc/90/67/14/1062906714.db2.gz KXAMUXYTYBEYQU-UHFFFAOYSA-N 1 2 486.617 2.879 20 0 JFADLO CC(C)Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CC(F)(F)Br ZINC001287465832 1062913703 /nfs/dbraw/zinc/91/37/03/1062913703.db2.gz QDJMCCPIDUVQPU-HNNXBMFYSA-N 1 2 477.398 2.597 20 0 JFADLO CC(C)Cc1nnc(N2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001287468683 1062915476 /nfs/dbraw/zinc/91/54/76/1062915476.db2.gz HQWRPYBTRAYAMF-PMACEKPBSA-N 1 2 474.654 2.587 20 0 JFADLO CC(C)Cc1nnc(N2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001287468683 1062915494 /nfs/dbraw/zinc/91/54/94/1062915494.db2.gz HQWRPYBTRAYAMF-PMACEKPBSA-N 1 2 474.654 2.587 20 0 JFADLO CCN(C)C(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001295087133 1062923723 /nfs/dbraw/zinc/92/37/23/1062923723.db2.gz CHWHQROCXMHLTF-TZIWHRDSSA-N 1 2 489.690 2.762 20 0 JFADLO CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001295090598 1062926535 /nfs/dbraw/zinc/92/65/35/1062926535.db2.gz NFIPYHWLNWOIHY-UHFFFAOYSA-N 1 2 469.977 2.598 20 0 JFADLO CC(C)Cc1nnc(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001287476112 1062927146 /nfs/dbraw/zinc/92/71/46/1062927146.db2.gz FOGZUNLQPPCZTA-UHFFFAOYSA-N 1 2 496.704 2.899 20 0 JFADLO CC(C)Cc1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1CC1(O)CCOCC1 ZINC001287486506 1062942784 /nfs/dbraw/zinc/94/27/84/1062942784.db2.gz JTGPJXXFWOKXII-UHFFFAOYSA-N 1 2 478.037 2.873 20 0 JFADLO CC(C)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC001287511102 1062956547 /nfs/dbraw/zinc/95/65/47/1062956547.db2.gz CPKDZXAOSNOZSE-IBGZPJMESA-N 1 2 455.607 2.569 20 0 JFADLO CC(C)CC[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001287526554 1062963729 /nfs/dbraw/zinc/96/37/29/1062963729.db2.gz SUCLGAIBNRCZCK-VWLOTQADSA-N 1 2 478.601 2.834 20 0 JFADLO CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[N@H+]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295145294 1062965135 /nfs/dbraw/zinc/96/51/35/1062965135.db2.gz BBFZBGGLOTVWKX-ICSRJNTNSA-N 1 2 477.606 2.833 20 0 JFADLO CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[N@@H+]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295145294 1062965154 /nfs/dbraw/zinc/96/51/54/1062965154.db2.gz BBFZBGGLOTVWKX-ICSRJNTNSA-N 1 2 477.606 2.833 20 0 JFADLO COc1c(F)cc(CC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc1S(N)(=O)=O ZINC001295155401 1062977462 /nfs/dbraw/zinc/97/74/62/1062977462.db2.gz PMPIDURBFKQJCZ-UHFFFAOYSA-N 1 2 456.499 2.578 20 0 JFADLO CC(C)CCCn1c([C@H]2CCCOC2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001287567543 1062988916 /nfs/dbraw/zinc/98/89/16/1062988916.db2.gz RDGBFLVQOGGQCY-GOTSBHOMSA-N 1 2 462.683 2.840 20 0 JFADLO CSC[C@H](C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001295168642 1062991999 /nfs/dbraw/zinc/99/19/99/1062991999.db2.gz IMRSCWAROBKOEZ-VAMGGRTRSA-N 1 2 458.628 2.985 20 0 JFADLO CC(C)CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001287586937 1062996526 /nfs/dbraw/zinc/99/65/26/1062996526.db2.gz MBBWHUQPMZCCFZ-WOJBJXKFSA-N 1 2 480.654 2.790 20 0 JFADLO CC(C)CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001287589965 1062997561 /nfs/dbraw/zinc/99/75/61/1062997561.db2.gz YFDICFCCSMSIGX-JOCHJYFZSA-N 1 2 454.619 2.956 20 0 JFADLO CCN(c1nnc(-c2ccccc2F)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295180995 1063004212 /nfs/dbraw/zinc/00/42/12/1063004212.db2.gz UXGODDUKSSCYRE-GBESFXJTSA-N 1 2 479.622 2.597 20 0 JFADLO C[C@H]1CCCCN1C(=O)CN1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001291095122 1063054250 /nfs/dbraw/zinc/05/42/50/1063054250.db2.gz GGMLBDBXTDKZCW-NRFANRHFSA-N 1 2 496.704 2.899 20 0 JFADLO CC(C)CN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1=O ZINC001287768811 1063094907 /nfs/dbraw/zinc/09/49/07/1063094907.db2.gz KQDSJAOBXJZWPO-PXNSSMCTSA-N 1 2 476.572 2.668 20 0 JFADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001291110848 1063109543 /nfs/dbraw/zinc/10/95/43/1063109543.db2.gz LAWOKRXHCPVTTA-RBUKOAKNSA-N 1 2 475.663 2.948 20 0 JFADLO CCN(CC(C)C)c1nnc([C@@H]2CCC(=O)N2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001295283709 1063126838 /nfs/dbraw/zinc/12/68/38/1063126838.db2.gz NERQCKOFXOFAJB-QFIPXVFZSA-N 1 2 453.635 2.529 20 0 JFADLO C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001291165705 1063250407 /nfs/dbraw/zinc/25/04/07/1063250407.db2.gz PAZRAGSTSGYKLZ-RTBURBONSA-N 1 2 462.639 2.960 20 0 JFADLO C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001291165705 1063250429 /nfs/dbraw/zinc/25/04/29/1063250429.db2.gz PAZRAGSTSGYKLZ-RTBURBONSA-N 1 2 462.639 2.960 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CCC2(O)CCC2)CC1 ZINC001295335974 1063255158 /nfs/dbraw/zinc/25/51/58/1063255158.db2.gz KCHNBQAYPRZSGY-UHFFFAOYSA-N 1 2 475.037 2.894 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3)n2CCCn2nc(C)cc2C)CC1 ZINC001295336484 1063257842 /nfs/dbraw/zinc/25/78/42/1063257842.db2.gz RISWPQXKJYHWKH-UHFFFAOYSA-N 1 2 478.645 2.839 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CCc2cccc(OC)c2)CC1 ZINC001295336662 1063259319 /nfs/dbraw/zinc/25/93/19/1063259319.db2.gz VFFIHHYIRITISE-UHFFFAOYSA-N 1 2 465.602 2.515 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCC=CO2)CC1 ZINC001295336672 1063259533 /nfs/dbraw/zinc/25/95/33/1063259533.db2.gz VKAXQFSCDISXAE-NRFANRHFSA-N 1 2 498.628 2.645 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3)n2CCC(=O)NC2CCCCC2)CC1 ZINC001295336639 1063259578 /nfs/dbraw/zinc/25/95/78/1063259578.db2.gz UDLZPIPQRXFIOR-UHFFFAOYSA-N 1 2 495.672 2.775 20 0 JFADLO CCN(CC)C(=O)N1CCN(c2nnc(C)n2C[C@H](c2cccc(C)c2)[NH+]2CCOCC2)CC1 ZINC001295343849 1063275138 /nfs/dbraw/zinc/27/51/38/1063275138.db2.gz PKXLOACPAQJGKJ-HSZRJFAPSA-N 1 2 469.634 2.552 20 0 JFADLO O=C(CNC(=O)N1CCCC1)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001295361131 1063322697 /nfs/dbraw/zinc/32/26/97/1063322697.db2.gz YFPRXKPHEGEMLI-UHFFFAOYSA-N 1 2 450.583 2.742 20 0 JFADLO C[C@@H]1CN(c2ccc(Cn3c(CC(C)(C)C)nnc3N(C)CC(=O)NC(C)(C)C)c[nH+]2)CCO1 ZINC001291194796 1063329088 /nfs/dbraw/zinc/32/90/88/1063329088.db2.gz DVFVMUGTIFGCET-GOSISDBHSA-N 1 2 471.650 2.886 20 0 JFADLO C[C@@H]1CN(c2ccc(Cn3c(N(C)CC(=O)NC(C)(C)C)nnc3C(C)(C)C)c[nH+]2)CCO1 ZINC001291194853 1063330296 /nfs/dbraw/zinc/33/02/96/1063330296.db2.gz GFZWSUCGDRWTHA-QGZVFWFLSA-N 1 2 457.623 2.595 20 0 JFADLO CC(C)c1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001291195729 1063335428 /nfs/dbraw/zinc/33/54/28/1063335428.db2.gz XCDLAVMAFAVNKZ-WMZOPIPTSA-N 1 2 495.550 2.575 20 0 JFADLO CC(C)c1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001291195726 1063335501 /nfs/dbraw/zinc/33/55/01/1063335501.db2.gz XCDLAVMAFAVNKZ-AEFFLSMTSA-N 1 2 495.550 2.575 20 0 JFADLO CCCNC(=O)Nc1ccc(CC(=O)N2CC[NH+](CCOc3cccc(OC)c3)CC2)cc1 ZINC001295386544 1063362248 /nfs/dbraw/zinc/36/22/48/1063362248.db2.gz SXKQNJAAMPZENO-UHFFFAOYSA-N 1 2 454.571 2.992 20 0 JFADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1CCc1cn2ccccc2[nH+]1 ZINC001291207559 1063375585 /nfs/dbraw/zinc/37/55/85/1063375585.db2.gz LYOJOOFLTVXNAT-IAGOWNOFSA-N 1 2 459.620 2.651 20 0 JFADLO CC[NH+](CC)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC(S(C)(=O)=O)CC1)c1ccco1 ZINC001295403833 1063388910 /nfs/dbraw/zinc/38/89/10/1063388910.db2.gz AUUSEWBKARDSCP-OAQYLSRUSA-N 1 2 486.642 2.953 20 0 JFADLO CC[NH+](CC)[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1)c1ccco1 ZINC001295404167 1063390499 /nfs/dbraw/zinc/39/04/99/1063390499.db2.gz IDBBMFNOAKJTGJ-HXUWFJFHSA-N 1 2 491.589 2.907 20 0 JFADLO CCN(CC)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H]3[C@H](OC)CC[C@@H]3C2)c[nH+]1 ZINC001295409591 1063403945 /nfs/dbraw/zinc/40/39/45/1063403945.db2.gz FURHAQFAWMFBIN-HSALFYBXSA-N 1 2 455.607 2.567 20 0 JFADLO CCN(CC)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H]([C@H]3CCOC3)C2)c[nH+]1 ZINC001295411165 1063406582 /nfs/dbraw/zinc/40/65/82/1063406582.db2.gz RCEDCJUDGOPJLE-UXHICEINSA-N 1 2 455.607 2.569 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCS[C@H](C(C)C)C2)c[nH+]1 ZINC001295411589 1063409132 /nfs/dbraw/zinc/40/91/32/1063409132.db2.gz VJFJMDHOIRWMRE-HKUYNNGSSA-N 1 2 495.719 2.756 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C)C2)c[nH+]1 ZINC001295412597 1063410252 /nfs/dbraw/zinc/41/02/52/1063410252.db2.gz BHFCHMRWLOIIKI-SFHVURJKSA-N 1 2 484.626 2.863 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3cnccn3)nnc2N2CCC(CCC(N)=O)CC2)c[nH+]1 ZINC001295413603 1063413525 /nfs/dbraw/zinc/41/35/25/1063413525.db2.gz BDSWXOAESDSGGY-UHFFFAOYSA-N 1 2 463.590 2.507 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(OC)CC2)c[nH+]1 ZINC001295413973 1063415863 /nfs/dbraw/zinc/41/58/63/1063415863.db2.gz DJWXRGKNJIWXLP-YADARESESA-N 1 2 455.607 2.914 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3cnccn3)nnc2N2CCC(CC(=O)N(C)C)CC2)c[nH+]1 ZINC001295416297 1063420477 /nfs/dbraw/zinc/42/04/77/1063420477.db2.gz XXVFMEUPMFUJHK-UHFFFAOYSA-N 1 2 477.617 2.719 20 0 JFADLO CCN(CC)c1ccc(Cn2c(N3CC[C@@H](C(=O)OC)C3)nnc2[C@@]2(OC(C)C)CCOC2)c[nH+]1 ZINC001295420075 1063431781 /nfs/dbraw/zinc/43/17/81/1063431781.db2.gz WGPUEGOUWZNVHS-CJFMBICVSA-N 1 2 486.617 2.608 20 0 JFADLO C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)Cc2ccc(F)cc2)C[C@@H](C)S1 ZINC001291253674 1063537664 /nfs/dbraw/zinc/53/76/64/1063537664.db2.gz KSALCILCIDBZJZ-ZHALLVOQSA-N 1 2 481.663 2.782 20 0 JFADLO C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C[C@@H](C)S1 ZINC001291253674 1063537673 /nfs/dbraw/zinc/53/76/73/1063537673.db2.gz KSALCILCIDBZJZ-ZHALLVOQSA-N 1 2 481.663 2.782 20 0 JFADLO C[C@@H]1CN(c2nnc(Cc3ccncc3)n2Cc2ccc(N(C)C)[nH+]c2)CCN1CC(F)(F)F ZINC001291266972 1063570073 /nfs/dbraw/zinc/57/00/73/1063570073.db2.gz WNKZTUUOYYZQTO-QGZVFWFLSA-N 1 2 474.535 2.846 20 0 JFADLO C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)CC(C)(C)C1)[NH+]1CCOCC1 ZINC001291277794 1063592858 /nfs/dbraw/zinc/59/28/58/1063592858.db2.gz KDIQIRXXHZQXMR-QZTJIDSGSA-N 1 2 460.648 2.863 20 0 JFADLO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(CC2CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001295583976 1063628901 /nfs/dbraw/zinc/62/89/01/1063628901.db2.gz KDUXHJHBPFWHJQ-LJQANCHMSA-N 1 2 454.619 2.680 20 0 JFADLO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(CC2CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001295583976 1063628907 /nfs/dbraw/zinc/62/89/07/1063628907.db2.gz KDUXHJHBPFWHJQ-LJQANCHMSA-N 1 2 454.619 2.680 20 0 JFADLO C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC[N@@H+]2CCOCC2(C)C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291286986 1063635599 /nfs/dbraw/zinc/63/55/99/1063635599.db2.gz SCQCQDUEXWBHLI-CEXWTWQISA-N 1 2 478.638 2.590 20 0 JFADLO C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC[N@H+]2CCOCC2(C)C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291286986 1063635612 /nfs/dbraw/zinc/63/56/12/1063635612.db2.gz SCQCQDUEXWBHLI-CEXWTWQISA-N 1 2 478.638 2.590 20 0 JFADLO CCN(Cc1ccccc1C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001295617137 1063665198 /nfs/dbraw/zinc/66/51/98/1063665198.db2.gz CJFAJVYUERDBJC-MHZLTWQESA-N 1 2 498.672 2.818 20 0 JFADLO CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001295624810 1063669931 /nfs/dbraw/zinc/66/99/31/1063669931.db2.gz FBISRTMRENZEPT-MRXNPFEDSA-N 1 2 475.594 2.563 20 0 JFADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291295392 1063695118 /nfs/dbraw/zinc/69/51/18/1063695118.db2.gz YNNFEBKEZFWYQN-PFAUGDHASA-N 1 2 499.722 2.565 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC=CCC1 ZINC001291308064 1063727179 /nfs/dbraw/zinc/72/71/79/1063727179.db2.gz GOWPGBYUQTUCAO-WOJBJXKFSA-N 1 2 460.623 2.880 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC=CCC1 ZINC001291308064 1063727195 /nfs/dbraw/zinc/72/71/95/1063727195.db2.gz GOWPGBYUQTUCAO-WOJBJXKFSA-N 1 2 460.623 2.880 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCC(F)(F)F ZINC001291308643 1063731037 /nfs/dbraw/zinc/73/10/37/1063731037.db2.gz QHJQHTZEHXYTCE-KRWDZBQOSA-N 1 2 482.555 2.561 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCC(F)(F)F ZINC001291308643 1063731051 /nfs/dbraw/zinc/73/10/51/1063731051.db2.gz QHJQHTZEHXYTCE-KRWDZBQOSA-N 1 2 482.555 2.561 20 0 JFADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(Cc2ccccn2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001291308961 1063732344 /nfs/dbraw/zinc/73/23/44/1063732344.db2.gz WDZWNZZQJDFMRR-VQTJNVASSA-N 1 2 498.653 2.586 20 0 JFADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(Cc2ccccn2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001291308961 1063732363 /nfs/dbraw/zinc/73/23/63/1063732363.db2.gz WDZWNZZQJDFMRR-VQTJNVASSA-N 1 2 498.653 2.586 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(N2CCC(Oc3cncc(Cl)n3)CC2)nnc1C(C)(C)C ZINC001291309294 1063734148 /nfs/dbraw/zinc/73/41/48/1063734148.db2.gz CTEZDYVPIMCQCD-MRXNPFEDSA-N 1 2 464.014 2.788 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(N2CCC(Oc3cncc(Cl)n3)CC2)nnc1C(C)(C)C ZINC001291309294 1063734158 /nfs/dbraw/zinc/73/41/58/1063734158.db2.gz CTEZDYVPIMCQCD-MRXNPFEDSA-N 1 2 464.014 2.788 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(CCc2ccccc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001291309629 1063735210 /nfs/dbraw/zinc/73/52/10/1063735210.db2.gz KRWMBKMGHLPUQG-MJGOQNOKSA-N 1 2 453.509 2.552 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(CCc2ccccc2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001291309629 1063735214 /nfs/dbraw/zinc/73/52/14/1063735214.db2.gz KRWMBKMGHLPUQG-MJGOQNOKSA-N 1 2 453.509 2.552 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(N2CCc3nc(C(F)(F)F)ncc3C2)nnc1C(C)(C)C ZINC001291309585 1063735233 /nfs/dbraw/zinc/73/52/33/1063735233.db2.gz JQXUWRVWZVHUME-AWEZNQCLSA-N 1 2 453.513 2.668 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(N2CCc3nc(C(F)(F)F)ncc3C2)nnc1C(C)(C)C ZINC001291309585 1063735245 /nfs/dbraw/zinc/73/52/45/1063735245.db2.gz JQXUWRVWZVHUME-AWEZNQCLSA-N 1 2 453.513 2.668 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(CC2CC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001291309699 1063735844 /nfs/dbraw/zinc/73/58/44/1063735844.db2.gz LQMCUQKRTXFJIG-QUCCMNQESA-N 1 2 462.639 2.645 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(CC2CC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001291309699 1063735855 /nfs/dbraw/zinc/73/58/55/1063735855.db2.gz LQMCUQKRTXFJIG-QUCCMNQESA-N 1 2 462.639 2.645 20 0 JFADLO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(C(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001291309758 1063735927 /nfs/dbraw/zinc/73/59/27/1063735927.db2.gz MKAWAXITZZSSSF-UXHICEINSA-N 1 2 456.635 2.952 20 0 JFADLO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(C(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001291309758 1063735942 /nfs/dbraw/zinc/73/59/42/1063735942.db2.gz MKAWAXITZZSSSF-UXHICEINSA-N 1 2 456.635 2.952 20 0 JFADLO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(C(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001291309760 1063736609 /nfs/dbraw/zinc/73/66/09/1063736609.db2.gz MKAWAXITZZSSSF-WOJBJXKFSA-N 1 2 456.635 2.952 20 0 JFADLO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(C(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001291309760 1063736619 /nfs/dbraw/zinc/73/66/19/1063736619.db2.gz MKAWAXITZZSSSF-WOJBJXKFSA-N 1 2 456.635 2.952 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CCO)Cc1ccccc1 ZINC001291310097 1063737841 /nfs/dbraw/zinc/73/78/41/1063737841.db2.gz TUKHMPULEXODAK-MDNUFGMLSA-N 1 2 471.646 2.916 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CCO)Cc1ccccc1 ZINC001291310097 1063737855 /nfs/dbraw/zinc/73/78/55/1063737855.db2.gz TUKHMPULEXODAK-MDNUFGMLSA-N 1 2 471.646 2.916 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001291310194 1063738658 /nfs/dbraw/zinc/73/86/58/1063738658.db2.gz WBAMGXTUURVPJK-HOTGVXAUSA-N 1 2 497.427 2.586 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001291310194 1063738670 /nfs/dbraw/zinc/73/86/70/1063738670.db2.gz WBAMGXTUURVPJK-HOTGVXAUSA-N 1 2 497.427 2.586 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(COc2ccccc2F)nnc1N(C)CCc1nccs1 ZINC001291310251 1063739355 /nfs/dbraw/zinc/73/93/55/1063739355.db2.gz WVWDEKISRSJXBL-KRWDZBQOSA-N 1 2 460.579 2.852 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(COc2ccccc2F)nnc1N(C)CCc1nccs1 ZINC001291310251 1063739360 /nfs/dbraw/zinc/73/93/60/1063739360.db2.gz WVWDEKISRSJXBL-KRWDZBQOSA-N 1 2 460.579 2.852 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(Br)cc1 ZINC001291310209 1063739459 /nfs/dbraw/zinc/73/94/59/1063739459.db2.gz WFHSAAKIOXALJM-KRWDZBQOSA-N 1 2 491.434 2.520 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(Br)cc1 ZINC001291310209 1063739469 /nfs/dbraw/zinc/73/94/69/1063739469.db2.gz WFHSAAKIOXALJM-KRWDZBQOSA-N 1 2 491.434 2.520 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc([C@@H]2CCOC2)n1CC[S@@](=O)CC ZINC001295747399 1063752089 /nfs/dbraw/zinc/75/20/89/1063752089.db2.gz ARGQDSHQLXJJEV-CGKQSPDFSA-N 1 2 460.648 2.689 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)OC ZINC001295747754 1063753129 /nfs/dbraw/zinc/75/31/29/1063753129.db2.gz HGNLYWQTJLGEBW-IBGZPJMESA-N 1 2 455.607 2.687 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(Cc2csc(C)n2)n1CC(=O)N(C)C ZINC001295749464 1063755963 /nfs/dbraw/zinc/75/59/63/1063755963.db2.gz QWHZQEJLHLROFJ-UHFFFAOYSA-N 1 2 482.658 2.860 20 0 JFADLO C[C@@H]1[C@H](C)SCCN1c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001291325525 1063776291 /nfs/dbraw/zinc/77/62/91/1063776291.db2.gz KCGKVEGARVWYJC-CVEARBPZSA-N 1 2 452.588 2.765 20 0 JFADLO CCC(=O)N[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCN2c2cc(NC)[nH+]cn2)C1 ZINC001291344286 1063832051 /nfs/dbraw/zinc/83/20/51/1063832051.db2.gz ZDCBMVBCNDNJJL-RTBURBONSA-N 1 2 483.665 2.862 20 0 JFADLO CCC(=O)N[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCN2c2cc(NC)nc[nH+]2)C1 ZINC001291344286 1063832067 /nfs/dbraw/zinc/83/20/67/1063832067.db2.gz ZDCBMVBCNDNJJL-RTBURBONSA-N 1 2 483.665 2.862 20 0 JFADLO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2Cc2c[nH+]ccc2OC)C1 ZINC001291345268 1063838329 /nfs/dbraw/zinc/83/83/29/1063838329.db2.gz SSDRYMUYYNRQDE-HXUWFJFHSA-N 1 2 452.534 2.955 20 0 JFADLO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccccc3CC)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001291348059 1063852081 /nfs/dbraw/zinc/85/20/81/1063852081.db2.gz ZJHYFVCZXJHWEJ-RBBKRZOGSA-N 1 2 484.645 2.635 20 0 JFADLO CCN(c1nnc([C@H]2CCCCO2)n1CC[N@H+](CC)CCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC001295848015 1063870869 /nfs/dbraw/zinc/87/08/69/1063870869.db2.gz GDSXFJRZCGMFFW-IAGOWNOFSA-N 1 2 481.585 2.807 20 0 JFADLO CCN(c1nnc([C@H]2CCCCO2)n1CC[N@@H+](CC)CCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC001295848015 1063870878 /nfs/dbraw/zinc/87/08/78/1063870878.db2.gz GDSXFJRZCGMFFW-IAGOWNOFSA-N 1 2 481.585 2.807 20 0 JFADLO CCN(c1nnc([C@H]2CCCCO2)n1CC[N@H+](CC)CCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC001295848014 1063871049 /nfs/dbraw/zinc/87/10/49/1063871049.db2.gz GDSXFJRZCGMFFW-DLBZAZTESA-N 1 2 481.585 2.807 20 0 JFADLO CCN(c1nnc([C@H]2CCCCO2)n1CC[N@@H+](CC)CCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC001295848014 1063871065 /nfs/dbraw/zinc/87/10/65/1063871065.db2.gz GDSXFJRZCGMFFW-DLBZAZTESA-N 1 2 481.585 2.807 20 0 JFADLO CC[C@](C)(O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001291362479 1063878424 /nfs/dbraw/zinc/87/84/24/1063878424.db2.gz GCEPFAOKFJXHNH-DEOSSOPVSA-N 1 2 467.574 2.548 20 0 JFADLO CC[N@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1[C@H]1CCCO1)CCC(F)(F)F ZINC001295853754 1063880793 /nfs/dbraw/zinc/88/07/93/1063880793.db2.gz RHIFJZZXUADWHC-FGTMMUONSA-N 1 2 493.596 2.602 20 0 JFADLO CC[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1[C@H]1CCCO1)CCC(F)(F)F ZINC001295853754 1063880801 /nfs/dbraw/zinc/88/08/01/1063880801.db2.gz RHIFJZZXUADWHC-FGTMMUONSA-N 1 2 493.596 2.602 20 0 JFADLO CC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC001291365247 1063885943 /nfs/dbraw/zinc/88/59/43/1063885943.db2.gz GDHZTJRGMMTQQM-HOYKHHGWSA-N 1 2 490.052 2.678 20 0 JFADLO CC[C@@](C)(O)Cn1c(-c2ccccc2F)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001291366444 1063889956 /nfs/dbraw/zinc/88/99/56/1063889956.db2.gz APALGKGVBFCOHT-UQBPGWFLSA-N 1 2 472.609 2.768 20 0 JFADLO CC[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001291367842 1063892244 /nfs/dbraw/zinc/89/22/44/1063892244.db2.gz BJDBHHNMQLNGDT-QHCPKHFHSA-N 1 2 474.009 2.694 20 0 JFADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)CNC(=O)N2CCc3ccccc3C2)c2ccc(Cl)cc2)C1 ZINC001295868366 1063905021 /nfs/dbraw/zinc/90/50/21/1063905021.db2.gz ZPDOHFMTARQJIU-GMAHTHKFSA-N 1 2 456.974 2.596 20 0 JFADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)CNC(=O)N2CCc3ccccc3C2)c2ccc(Cl)cc2)C1 ZINC001295868366 1063905028 /nfs/dbraw/zinc/90/50/28/1063905028.db2.gz ZPDOHFMTARQJIU-GMAHTHKFSA-N 1 2 456.974 2.596 20 0 JFADLO CC[N@H+](CCn1c(N2CCC(S(C)(=O)=O)CC2)nnc1C(C)(C)C)CCC(F)(F)F ZINC001295868648 1063905308 /nfs/dbraw/zinc/90/53/08/1063905308.db2.gz SUTGQAXOQXETLG-UHFFFAOYSA-N 1 2 453.575 2.863 20 0 JFADLO CC[N@@H+](CCn1c(N2CCC(S(C)(=O)=O)CC2)nnc1C(C)(C)C)CCC(F)(F)F ZINC001295868648 1063905319 /nfs/dbraw/zinc/90/53/19/1063905319.db2.gz SUTGQAXOQXETLG-UHFFFAOYSA-N 1 2 453.575 2.863 20 0 JFADLO CC[C@@](C)(O)Cn1c(CCCc2ccccc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001291376998 1063908563 /nfs/dbraw/zinc/90/85/63/1063908563.db2.gz FXAUGJMLXCNOBN-WXVAWEFUSA-N 1 2 482.673 2.747 20 0 JFADLO CCN(CCS(C)(=O)=O)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001295881988 1063928697 /nfs/dbraw/zinc/92/86/97/1063928697.db2.gz WPNBLTRGTOWYSV-UHFFFAOYSA-N 1 2 495.609 2.980 20 0 JFADLO CCN(CCS(C)(=O)=O)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001295884682 1063930641 /nfs/dbraw/zinc/93/06/41/1063930641.db2.gz CYFNFDTWTYHSHY-LJQANCHMSA-N 1 2 474.606 2.961 20 0 JFADLO CC[C@H](C)[C@](C)(O)Cn1c(-c2cccnc2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC001291391822 1063942870 /nfs/dbraw/zinc/94/28/70/1063942870.db2.gz OWUQEIAPKDCMKZ-LZCXECNNSA-N 1 2 483.661 2.660 20 0 JFADLO CC[C@H](C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1)OC ZINC001291407740 1063980470 /nfs/dbraw/zinc/98/04/70/1063980470.db2.gz OIAJPMMVSWOBQY-PXNSSMCTSA-N 1 2 475.663 2.662 20 0 JFADLO CC[C@@H](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2[nH+]cnc3c2cnn3C)CC1)OC ZINC001291420574 1064001877 /nfs/dbraw/zinc/00/18/77/1064001877.db2.gz ZAXSZTHVZZMEOM-IEBWSBKVSA-N 1 2 469.638 2.931 20 0 JFADLO CC[C@H](C)[C@H](Cn1c(N2CCN(c3cc[nH+]c(C)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1)OC ZINC001291426210 1064009407 /nfs/dbraw/zinc/00/94/07/1064009407.db2.gz VUCRHWDRILPMBA-QYXIYQDXSA-N 1 2 487.649 2.805 20 0 JFADLO CC[C@@H](C)c1nnc(N(C)C[C@H]2CN(CC)c3ccccc3O2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291453364 1064021039 /nfs/dbraw/zinc/02/10/39/1064021039.db2.gz HTGKQWNRWLYJLD-IRLDBZIGSA-N 1 2 483.661 2.679 20 0 JFADLO CC[C@H](C)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C ZINC001291456964 1064022945 /nfs/dbraw/zinc/02/29/45/1064022945.db2.gz AWXKEHFNQTVJEY-TUFLPTIASA-N 1 2 492.665 2.584 20 0 JFADLO CC[C@H](C)c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC001291457525 1064023946 /nfs/dbraw/zinc/02/39/46/1064023946.db2.gz NPJQUUHYVYTOFM-SIKLNZKXSA-N 1 2 470.618 2.726 20 0 JFADLO CC[C@H](C)c1nnc(N(Cc2ccco2)C[C@H]2CCCO2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291465345 1064027453 /nfs/dbraw/zinc/02/74/53/1064027453.db2.gz KFJPYSGVWDPYRZ-SIKLNZKXSA-N 1 2 458.607 2.734 20 0 JFADLO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCc2nnc(C)[nH]2)C[C@H]1C ZINC001295980066 1064029109 /nfs/dbraw/zinc/02/91/09/1064029109.db2.gz NWPXVNVOAOHETO-ZIAGYGMSSA-N 1 2 476.427 2.634 20 0 JFADLO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCc2nnc(C)[nH]2)C[C@H]1C ZINC001295980066 1064029114 /nfs/dbraw/zinc/02/91/14/1064029114.db2.gz NWPXVNVOAOHETO-ZIAGYGMSSA-N 1 2 476.427 2.634 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC(C(=O)NCCOC)CC2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001291485802 1064042739 /nfs/dbraw/zinc/04/27/39/1064042739.db2.gz VTVRZJKUFZBAJY-PXNSSMCTSA-N 1 2 457.623 2.853 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](OC)c2ccc(F)cc2)C[C@@H]1C ZINC001295994874 1064051006 /nfs/dbraw/zinc/05/10/06/1064051006.db2.gz HLRCYHZJOXOAHP-NEOGFGCTSA-N 1 2 479.622 2.626 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](OC)c2ccc(F)cc2)C[C@@H]1C ZINC001295994874 1064051014 /nfs/dbraw/zinc/05/10/14/1064051014.db2.gz HLRCYHZJOXOAHP-NEOGFGCTSA-N 1 2 479.622 2.626 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(C)c(OC)c2)C[C@H]1C ZINC001295998081 1064054828 /nfs/dbraw/zinc/05/48/28/1064054828.db2.gz SVJPPJRZXQKGJX-DYXWJJEUSA-N 1 2 475.659 2.659 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(C)c(OC)c2)C[C@H]1C ZINC001295998081 1064054837 /nfs/dbraw/zinc/05/48/37/1064054837.db2.gz SVJPPJRZXQKGJX-DYXWJJEUSA-N 1 2 475.659 2.659 20 0 JFADLO COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001296004910 1064060091 /nfs/dbraw/zinc/06/00/91/1064060091.db2.gz BZVNJRRQTTUAOS-GAJHUEQPSA-N 1 2 452.530 2.718 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC(OCC(N)=O)CC2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001291518637 1064071164 /nfs/dbraw/zinc/07/11/64/1064071164.db2.gz OSPMKNJDYKOIQF-IBGZPJMESA-N 1 2 469.634 2.942 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001296013986 1064075129 /nfs/dbraw/zinc/07/51/29/1064075129.db2.gz XHFBETGQWCKQCJ-HKBOAZHASA-N 1 2 475.659 2.909 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001296013986 1064075136 /nfs/dbraw/zinc/07/51/36/1064075136.db2.gz XHFBETGQWCKQCJ-HKBOAZHASA-N 1 2 475.659 2.909 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC[C@@H](C(=O)OC)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001291530755 1064077180 /nfs/dbraw/zinc/07/71/80/1064077180.db2.gz SLOMLOIRSJGOJK-NLWGTHIKSA-N 1 2 456.591 2.849 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC[C@@H](NC(C)=O)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001291541975 1064085019 /nfs/dbraw/zinc/08/50/19/1064085019.db2.gz LLCVATNFJNGERQ-WAOWUJCRSA-N 1 2 455.607 2.565 20 0 JFADLO CC[C@H](C)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001291560857 1064092641 /nfs/dbraw/zinc/09/26/41/1064092641.db2.gz SOMKBWOLHNOSNC-SLFFLAALSA-N 1 2 455.669 2.552 20 0 JFADLO CC[C@H](C)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001291560857 1064092650 /nfs/dbraw/zinc/09/26/50/1064092650.db2.gz SOMKBWOLHNOSNC-SLFFLAALSA-N 1 2 455.669 2.552 20 0 JFADLO CC[C@H](C)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001291560866 1064092671 /nfs/dbraw/zinc/09/26/71/1064092671.db2.gz SOMKBWOLHNOSNC-ZCNNSNEGSA-N 1 2 455.669 2.552 20 0 JFADLO CC[C@H](C)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001291560866 1064092686 /nfs/dbraw/zinc/09/26/86/1064092686.db2.gz SOMKBWOLHNOSNC-ZCNNSNEGSA-N 1 2 455.669 2.552 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001291593030 1064127868 /nfs/dbraw/zinc/12/78/68/1064127868.db2.gz OQYXLVCPJUMNGM-AUSIDOKSSA-N 1 2 476.629 2.650 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001291596093 1064131172 /nfs/dbraw/zinc/13/11/72/1064131172.db2.gz NUXNBELARNXCHU-MIZPHKNDSA-N 1 2 454.619 2.750 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001291596093 1064131179 /nfs/dbraw/zinc/13/11/79/1064131179.db2.gz NUXNBELARNXCHU-MIZPHKNDSA-N 1 2 454.619 2.750 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC001291607551 1064144478 /nfs/dbraw/zinc/14/44/78/1064144478.db2.gz IHJMUROMNMIBHS-QUCCMNQESA-N 1 2 465.577 2.997 20 0 JFADLO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1CCNS(=O)(=O)CC ZINC001291630117 1064174931 /nfs/dbraw/zinc/17/49/31/1064174931.db2.gz RCNAXWGCBMXPOB-QGZVFWFLSA-N 1 2 469.055 2.707 20 0 JFADLO C[N@@H+]1CCCN(c2ccc(NC(=O)c3cnc(I)c(O)c3)cc2)CC1 ZINC001291634511 1064183776 /nfs/dbraw/zinc/18/37/76/1064183776.db2.gz DYVYRCSKFGKISW-UHFFFAOYSA-N 1 2 452.296 2.786 20 0 JFADLO C[N@H+]1CCCN(c2ccc(NC(=O)c3cnc(I)c(O)c3)cc2)CC1 ZINC001291634511 1064183783 /nfs/dbraw/zinc/18/37/83/1064183783.db2.gz DYVYRCSKFGKISW-UHFFFAOYSA-N 1 2 452.296 2.786 20 0 JFADLO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCCOC(F)(F)F ZINC001291639694 1064187493 /nfs/dbraw/zinc/18/74/93/1064187493.db2.gz OCCZRUCMYACDPO-MOPGFXCFSA-N 1 2 476.588 2.949 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001291666135 1064210392 /nfs/dbraw/zinc/21/03/92/1064210392.db2.gz ACZLXDQPXYPFLN-DENIHFKCSA-N 1 2 469.634 2.813 20 0 JFADLO CC[C@H](C)c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001291673990 1064215370 /nfs/dbraw/zinc/21/53/70/1064215370.db2.gz YOOUULJAMGVHRO-NKKJXINNSA-N 1 2 484.645 2.515 20 0 JFADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CC(C)(OC)C2)CC1 ZINC001296132601 1064230609 /nfs/dbraw/zinc/23/06/09/1064230609.db2.gz BWSQXTGYERDSDG-NRFANRHFSA-N 1 2 456.635 2.725 20 0 JFADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001296132629 1064231052 /nfs/dbraw/zinc/23/10/52/1064231052.db2.gz CGIPUOCPSBWRDX-DHIUTWEWSA-N 1 2 497.688 2.557 20 0 JFADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC001296134341 1064235342 /nfs/dbraw/zinc/23/53/42/1064235342.db2.gz NMXQVLXPCSDZGP-IMSXRSKXSA-N 1 2 486.661 2.753 20 0 JFADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC001296134344 1064235885 /nfs/dbraw/zinc/23/58/85/1064235885.db2.gz NMXQVLXPCSDZGP-YZUZCNPQSA-N 1 2 486.661 2.753 20 0 JFADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001296134784 1064237177 /nfs/dbraw/zinc/23/71/77/1064237177.db2.gz QIUPWIZVEXXFRY-VXKWHMMOSA-N 1 2 456.635 2.807 20 0 JFADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001296135444 1064239133 /nfs/dbraw/zinc/23/91/33/1064239133.db2.gz YKDBSHGABLJDIO-PZJWPPBQSA-N 1 2 496.578 2.959 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(-c3cccn3C)n2CCCS(=O)(=O)c2ccccc2)C[C@@H]1C ZINC001296155711 1064267541 /nfs/dbraw/zinc/26/75/41/1064267541.db2.gz VHMRVTSXUVZXHE-IBGZPJMESA-N 1 2 456.616 2.678 20 0 JFADLO CC[N@H+]1CCN(c2nnc(-c3cccn3C)n2CCCS(=O)(=O)c2ccccc2)C[C@@H]1C ZINC001296155711 1064267546 /nfs/dbraw/zinc/26/75/46/1064267546.db2.gz VHMRVTSXUVZXHE-IBGZPJMESA-N 1 2 456.616 2.678 20 0 JFADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Cc2cccs2)C[C@H]1C ZINC001296158847 1064272269 /nfs/dbraw/zinc/27/22/69/1064272269.db2.gz JJBHOIPFWFCMEU-RCCFBDPRSA-N 1 2 451.662 2.651 20 0 JFADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Cc2cccs2)C[C@H]1C ZINC001296158847 1064272278 /nfs/dbraw/zinc/27/22/78/1064272278.db2.gz JJBHOIPFWFCMEU-RCCFBDPRSA-N 1 2 451.662 2.651 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1C ZINC001296160444 1064274122 /nfs/dbraw/zinc/27/41/22/1064274122.db2.gz GFPFQULLCMLWCU-HKUYNNGSSA-N 1 2 466.051 2.878 20 0 JFADLO CC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1C ZINC001296160444 1064274132 /nfs/dbraw/zinc/27/41/32/1064274132.db2.gz GFPFQULLCMLWCU-HKUYNNGSSA-N 1 2 466.051 2.878 20 0 JFADLO CC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2csc(C(C)C)n2)C[C@H]1C ZINC001296160080 1064274223 /nfs/dbraw/zinc/27/42/23/1064274223.db2.gz NSTXRYHVFMVNAI-SJORKVTESA-N 1 2 466.677 2.533 20 0 JFADLO CC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2csc(C(C)C)n2)C[C@H]1C ZINC001296160080 1064274234 /nfs/dbraw/zinc/27/42/34/1064274234.db2.gz NSTXRYHVFMVNAI-SJORKVTESA-N 1 2 466.677 2.533 20 0 JFADLO CC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2SC)C[C@@H]1C ZINC001296163508 1064278327 /nfs/dbraw/zinc/27/83/27/1064278327.db2.gz XNXHBHTUAJNREJ-HKUYNNGSSA-N 1 2 463.673 2.789 20 0 JFADLO CC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2SC)C[C@@H]1C ZINC001296163508 1064278335 /nfs/dbraw/zinc/27/83/35/1064278335.db2.gz XNXHBHTUAJNREJ-HKUYNNGSSA-N 1 2 463.673 2.789 20 0 JFADLO CC[C@H](C)NC(=O)CCn1c(C2CC2)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC001291810249 1064336083 /nfs/dbraw/zinc/33/60/83/1064336083.db2.gz XMNJOKQJEIKOLF-KRWDZBQOSA-N 1 2 458.582 2.930 20 0 JFADLO CCn1nc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H](OC)C(C)(C)C)c2ccccc2c1=O ZINC001296215790 1064419591 /nfs/dbraw/zinc/41/95/91/1064419591.db2.gz FLCZBMBNFHJYIJ-OAQYLSRUSA-N 1 2 497.644 2.504 20 0 JFADLO CCn1nc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2CCCC(F)(F)F)c2ccccc2c1=O ZINC001296216378 1064423652 /nfs/dbraw/zinc/42/36/52/1064423652.db2.gz MFOHIKDKYMZHNM-UHFFFAOYSA-N 1 2 493.534 2.786 20 0 JFADLO CC[C@@H](c1nnc(N(C)C[C@@H](C)C(=O)NC)n1Cc1ccc[nH+]c1N1CCOCC1)c1ccccc1 ZINC001291846808 1064454045 /nfs/dbraw/zinc/45/40/45/1064454045.db2.gz WVZKKWKMSYIBQP-NFBKMPQASA-N 1 2 491.640 2.918 20 0 JFADLO CCNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001296231313 1064465762 /nfs/dbraw/zinc/46/57/62/1064465762.db2.gz FVOWTAKBNHAFLZ-UHFFFAOYSA-N 1 2 468.993 2.877 20 0 JFADLO Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H](C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)C3)ccn12 ZINC001291885648 1064506491 /nfs/dbraw/zinc/50/64/91/1064506491.db2.gz KNQLNDTYBSEMKC-LJQANCHMSA-N 1 2 455.559 2.574 20 0 JFADLO CC[C@@H](c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H](C)OC)c1ccccc1 ZINC001291886221 1064507356 /nfs/dbraw/zinc/50/73/56/1064507356.db2.gz AQOCZAJTJCNQGT-FUPPJEDESA-N 1 2 468.646 2.988 20 0 JFADLO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC001291928826 1064547340 /nfs/dbraw/zinc/54/73/40/1064547340.db2.gz NEDFRKBAAWLNQP-FQEVSTJZSA-N 1 2 459.547 2.566 20 0 JFADLO CCNC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001296301680 1064580480 /nfs/dbraw/zinc/58/04/80/1064580480.db2.gz HCVBKDJTNWPRFQ-UNMCSNQZSA-N 1 2 499.660 2.607 20 0 JFADLO CCC(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1C(C)C)[NH+]1CCOCC1 ZINC001291968495 1064584377 /nfs/dbraw/zinc/58/43/77/1064584377.db2.gz PWQIAFNWYJKLLP-FSSWDIPSSA-N 1 2 481.707 2.942 20 0 JFADLO CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1)[NH+]1CCOCC1 ZINC001291969452 1064585195 /nfs/dbraw/zinc/58/51/95/1064585195.db2.gz VEEYZOPRHWTYJN-GOTSBHOMSA-N 1 2 489.686 2.954 20 0 JFADLO CCC(CC)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1)[NH+]1CCOCC1 ZINC001291969451 1064585257 /nfs/dbraw/zinc/58/52/57/1064585257.db2.gz VEEYZOPRHWTYJN-DHIUTWEWSA-N 1 2 489.686 2.954 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N(C)C2Cc3ccccc3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001291985627 1064597633 /nfs/dbraw/zinc/59/76/33/1064597633.db2.gz BUOQYGJQEOVISB-UHFFFAOYSA-N 1 2 468.646 2.911 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N(C)C2Cc3ccccc3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001291985627 1064597649 /nfs/dbraw/zinc/59/76/49/1064597649.db2.gz BUOQYGJQEOVISB-UHFFFAOYSA-N 1 2 468.646 2.911 20 0 JFADLO CCNC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(N(CC)CC)[nH+]c2)CC1 ZINC001296318598 1064602013 /nfs/dbraw/zinc/60/20/13/1064602013.db2.gz ZWSANHBNLKVAKY-UHFFFAOYSA-N 1 2 497.673 2.775 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1CSc2ccccc21 ZINC001292008755 1064631270 /nfs/dbraw/zinc/63/12/70/1064631270.db2.gz ZTUNSTHJEITAOW-GOSISDBHSA-N 1 2 472.659 2.854 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N(CC)C2CC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001292009818 1064633462 /nfs/dbraw/zinc/63/34/62/1064633462.db2.gz ZWPBGHZSJTVGJM-KRWDZBQOSA-N 1 2 455.607 2.854 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2C[C@@H](OC)C(C)(C)C2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001292026179 1064679633 /nfs/dbraw/zinc/67/96/33/1064679633.db2.gz LCTUWHGTEYIBHX-RBUKOAKNSA-N 1 2 499.664 2.558 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2C[C@@H](OC)C(C)(C)C2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001292026179 1064679637 /nfs/dbraw/zinc/67/96/37/1064679637.db2.gz LCTUWHGTEYIBHX-RBUKOAKNSA-N 1 2 499.664 2.558 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2C[C@@H](OC)C(C)(C)C2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001292026181 1064679659 /nfs/dbraw/zinc/67/96/59/1064679659.db2.gz LCTUWHGTEYIBHX-RTBURBONSA-N 1 2 499.664 2.558 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2C[C@@H](OC)C(C)(C)C2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001292026181 1064679663 /nfs/dbraw/zinc/67/96/63/1064679663.db2.gz LCTUWHGTEYIBHX-RTBURBONSA-N 1 2 499.664 2.558 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](OC)C(C)(C)C2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001292026177 1064679705 /nfs/dbraw/zinc/67/97/05/1064679705.db2.gz LCTUWHGTEYIBHX-OALUTQOASA-N 1 2 499.664 2.558 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](OC)C(C)(C)C2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001292026177 1064679711 /nfs/dbraw/zinc/67/97/11/1064679711.db2.gz LCTUWHGTEYIBHX-OALUTQOASA-N 1 2 499.664 2.558 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCC(N3CCCCC3=O)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001292062660 1064733205 /nfs/dbraw/zinc/73/32/05/1064733205.db2.gz ASTHSVLFOVPCDL-UHFFFAOYSA-N 1 2 496.660 2.687 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCCC3(CCOCC3)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001292100204 1064791020 /nfs/dbraw/zinc/79/10/20/1064791020.db2.gz BXAPGTQZVJVKSV-JOCHJYFZSA-N 1 2 490.693 2.950 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCc1scnc1C ZINC001292115571 1064833056 /nfs/dbraw/zinc/83/30/56/1064833056.db2.gz JGIVOKRBOZDQOB-UHFFFAOYSA-N 1 2 468.631 2.926 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cccc(F)c3)CC2)n1CCC1(O)CCC1 ZINC001292123273 1064860557 /nfs/dbraw/zinc/86/05/57/1064860557.db2.gz BLAARIMNHNKJLW-UHFFFAOYSA-N 1 2 472.609 2.963 20 0 JFADLO O=C(CCN1C(=O)CCc2cc(F)ccc21)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001292141437 1064909504 /nfs/dbraw/zinc/90/95/04/1064909504.db2.gz LVOYOTDEBBFPFG-UHFFFAOYSA-N 1 2 455.530 2.522 20 0 JFADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)c1c(C(F)(F)F)nc2n1CCCC2 ZINC001292141952 1064910199 /nfs/dbraw/zinc/91/01/99/1064910199.db2.gz OFROXRSNGDNMBG-UHFFFAOYSA-N 1 2 452.477 2.879 20 0 JFADLO CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1)OC ZINC001292180632 1064970489 /nfs/dbraw/zinc/97/04/89/1064970489.db2.gz PIKJWNPFFWEEIO-HXUWFJFHSA-N 1 2 461.010 2.768 20 0 JFADLO Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC001292182662 1064972787 /nfs/dbraw/zinc/97/27/87/1064972787.db2.gz JOGSFCLQXRNNFW-UHFFFAOYSA-N 1 2 454.493 2.632 20 0 JFADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)c1c(C(F)(F)F)nc2n1CCCC2 ZINC001292183417 1064974174 /nfs/dbraw/zinc/97/41/74/1064974174.db2.gz SBAIIXZKUODHLN-UHFFFAOYSA-N 1 2 452.477 2.879 20 0 JFADLO CCC(O)(CC)Cn1c(C2CCCC2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001292284941 1065059166 /nfs/dbraw/zinc/05/91/66/1065059166.db2.gz QSYMIIQZHUGFJX-QFIPXVFZSA-N 1 2 462.683 2.718 20 0 JFADLO CC[C@]1(C)CC[C@H](Cn2c([C@@H](C)OCCOC)nnc2N2CCN(c3cc[nH+]c(C)n3)CC2)O1 ZINC001292298867 1065069858 /nfs/dbraw/zinc/06/98/58/1065069858.db2.gz HHYMHRBVMJFOQS-DRMXPCRNSA-N 1 2 473.622 2.775 20 0 JFADLO CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3cccn3CC[NH+]3CCOCC3)ccc21 ZINC001292321579 1065084632 /nfs/dbraw/zinc/08/46/32/1065084632.db2.gz MFJPZNJWDVTBNH-UHFFFAOYSA-N 1 2 451.571 2.896 20 0 JFADLO CC[C@]1(C)CN(c2nnc(COc3ccccc3OC)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001292378607 1065122053 /nfs/dbraw/zinc/12/20/53/1065122053.db2.gz GIMWURLYVUPBGY-YADARESESA-N 1 2 459.591 2.592 20 0 JFADLO CCc1ccc(-c2nnc(N3CC[C@@H]([NH+]4CCN(C(C)C)CC4)C3)n2C[C@@H](COC)OC)cc1 ZINC001292497266 1065216395 /nfs/dbraw/zinc/21/63/95/1065216395.db2.gz DNSKLASUSRQTEF-RPWUZVMVSA-N 1 2 470.662 2.774 20 0 JFADLO CCc1ccc(-c2nnc(N3CC[NH+](CC(=O)N(CC)CC)CC3)n2C[C@@](C)(O)C(C)C)cc1 ZINC001292518517 1065242591 /nfs/dbraw/zinc/24/25/91/1065242591.db2.gz SXPIPJPCNNRPET-AREMUKBSSA-N 1 2 470.662 2.905 20 0 JFADLO CCc1ccc(-c2nnc(N3CC[NH+](C[C@H]4CN(C(C)C)CCO4)CC3)n2C[C@](C)(O)CC)cc1 ZINC001292520801 1065246551 /nfs/dbraw/zinc/24/65/51/1065246551.db2.gz UPWCYVIBHREUNG-RPLLCQBOSA-N 1 2 484.689 2.900 20 0 JFADLO CCc1ccccc1OCc1nnc(N2CCC[C@H](NC(C)=O)C2)n1Cc1c[nH+]ccc1OC ZINC001292606597 1065331961 /nfs/dbraw/zinc/33/19/61/1065331961.db2.gz RZUYYNQFYJRVBZ-NRFANRHFSA-N 1 2 464.570 2.976 20 0 JFADLO CCc1ccccc1OCc1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1C[C@H](F)COC ZINC001292614389 1065343933 /nfs/dbraw/zinc/34/39/33/1065343933.db2.gz DKJWEMHFVLWAHY-FQEVSTJZSA-N 1 2 469.565 2.829 20 0 JFADLO CCc1nc(C)c(Cn2c(-c3ccccc3F)nnc2N2CC[NH+](CC(=O)N(CC)CC)CC2)o1 ZINC001292684714 1065428457 /nfs/dbraw/zinc/42/84/57/1065428457.db2.gz ZXZBDRKKOWYPHF-UHFFFAOYSA-N 1 2 483.592 2.982 20 0 JFADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C[C@@H]3CCC4(CCC4)CO3)cc2)CC1 ZINC001292705749 1065461044 /nfs/dbraw/zinc/46/10/44/1065461044.db2.gz CYRPDAWSJVZISV-DEOSSOPVSA-N 1 2 457.615 2.628 20 0 JFADLO COc1ccc([C@@H]2C[C@H]2C(=O)NCCc2ccc(OCC[NH+]3CCN(C(C)=O)CC3)cc2)cc1 ZINC001292707600 1065462621 /nfs/dbraw/zinc/46/26/21/1065462621.db2.gz XUONUYVRBFCEOS-IZZNHLLZSA-N 1 2 465.594 2.701 20 0 JFADLO CCc1nn(C)c(CC)c1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC[NH+]1CCOCC1 ZINC001292768296 1065523036 /nfs/dbraw/zinc/52/30/36/1065523036.db2.gz QKCXYWATDAJMQB-UHFFFAOYSA-N 1 2 487.599 2.822 20 0 JFADLO CCc1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1Cc1ccc(OC)nc1OC ZINC001292824801 1065567163 /nfs/dbraw/zinc/56/71/63/1065567163.db2.gz KZXSTLSOEJKDTR-GOSISDBHSA-N 1 2 472.615 2.872 20 0 JFADLO Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)c1C ZINC001292831574 1065569851 /nfs/dbraw/zinc/56/98/51/1065569851.db2.gz UOEBDCATJOTCFO-UXHICEINSA-N 1 2 457.600 2.640 20 0 JFADLO Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)c1C ZINC001292831574 1065569858 /nfs/dbraw/zinc/56/98/58/1065569858.db2.gz UOEBDCATJOTCFO-UXHICEINSA-N 1 2 457.600 2.640 20 0 JFADLO CC(C)(C)OC(=O)NCCOc1cccc(NC(=O)c2cccn2CC[NH+]2CCOCC2)c1 ZINC001292856091 1065576866 /nfs/dbraw/zinc/57/68/66/1065576866.db2.gz WIGQUNIRDFOBEQ-UHFFFAOYSA-N 1 2 458.559 2.976 20 0 JFADLO O=C(NCCOC[C@H]1CCOC1)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001292922584 1065609379 /nfs/dbraw/zinc/60/93/79/1065609379.db2.gz ZWRTZSIVFKIVTQ-FQEVSTJZSA-N 1 2 458.990 2.840 20 0 JFADLO CC(C)(C)OC(=O)NCc1cccc(C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)c1 ZINC001292942286 1065626846 /nfs/dbraw/zinc/62/68/46/1065626846.db2.gz OPKWOIRNSBVMHA-UHFFFAOYSA-N 1 2 452.555 2.768 20 0 JFADLO CCc1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001292959583 1065637929 /nfs/dbraw/zinc/63/79/29/1065637929.db2.gz AXXBLBAPJXUWLJ-IBGZPJMESA-N 1 2 485.633 2.814 20 0 JFADLO CCc1nnc(N2CCC[C@@H](c3nc(C(C)C)cs3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001293023677 1065696991 /nfs/dbraw/zinc/69/69/91/1065696991.db2.gz KTXPJHXUAJJSAN-LJQANCHMSA-N 1 2 459.664 2.969 20 0 JFADLO CCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 ZINC001293092950 1065740670 /nfs/dbraw/zinc/74/06/70/1065740670.db2.gz DNHBQSQOTSFZOK-SFTDATJTSA-N 1 2 495.672 2.550 20 0 JFADLO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)s1 ZINC001293106466 1065753691 /nfs/dbraw/zinc/75/36/91/1065753691.db2.gz CPAOKJCDEBHURH-AWEZNQCLSA-N 1 2 452.524 2.828 20 0 JFADLO CCc1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1CCCn1cc(Br)cn1 ZINC001293127930 1065778624 /nfs/dbraw/zinc/77/86/24/1065778624.db2.gz RJZLKHBMYHRWEA-UHFFFAOYSA-N 1 2 463.384 2.508 20 0 JFADLO CCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCc1ccccc1Cl ZINC001293131349 1065783283 /nfs/dbraw/zinc/78/32/83/1065783283.db2.gz OLQRCLNELUKUNK-OAQYLSRUSA-N 1 2 461.054 2.968 20 0 JFADLO CCc1noc([C@@H](C)N2CCN(c3nnc(CC(C)C)n3Cc3c[nH+]ccc3OC)CC2)n1 ZINC001293188037 1065812916 /nfs/dbraw/zinc/81/29/16/1065812916.db2.gz JUZZFLITBSGZMY-QGZVFWFLSA-N 1 2 454.579 2.757 20 0 JFADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)CN3CCc4cc(OC)c(OC)cc4C3)CC2)c1 ZINC001293204783 1065831706 /nfs/dbraw/zinc/83/17/06/1065831706.db2.gz ZPDOPJGNXRPHQM-IBGZPJMESA-N 1 2 453.583 2.976 20 0 JFADLO CC[C@H]1C(=O)NCCN1c1nnc(Cc2ccccn2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001293240094 1065896884 /nfs/dbraw/zinc/89/68/84/1065896884.db2.gz WISBXNKWTUBYLS-VQTJNVASSA-N 1 2 469.540 2.560 20 0 JFADLO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2ccccn2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001293240095 1065896962 /nfs/dbraw/zinc/89/69/62/1065896962.db2.gz WISBXNKWTUBYLS-WOJBJXKFSA-N 1 2 469.540 2.560 20 0 JFADLO CC[C@H]1c2ccsc2CCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001293288891 1065935349 /nfs/dbraw/zinc/93/53/49/1065935349.db2.gz LMZCPYHHCWBUKW-YJBOKZPZSA-N 1 2 489.671 2.973 20 0 JFADLO CC[C@H]1C[C@@H](C)CN1c1nnc(Cc2ccccc2OC)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001293316280 1065946446 /nfs/dbraw/zinc/94/64/46/1065946446.db2.gz PBTZCYUTTBCUDL-KNQAVFIVSA-N 1 2 454.619 2.666 20 0 JFADLO COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC001293371816 1065975106 /nfs/dbraw/zinc/97/51/06/1065975106.db2.gz SGOBFSOVSDNROH-YADHBBJMSA-N 1 2 450.539 2.852 20 0 JFADLO COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC001293371816 1065975117 /nfs/dbraw/zinc/97/51/17/1065975117.db2.gz SGOBFSOVSDNROH-YADHBBJMSA-N 1 2 450.539 2.852 20 0 JFADLO Cc1ccc(S(=O)(=O)NC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c2ccccc2)c(C)c1 ZINC001293398887 1065993378 /nfs/dbraw/zinc/99/33/78/1065993378.db2.gz OJCCAWZEPCGSEV-IFMALSPDSA-N 1 2 452.580 2.898 20 0 JFADLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)C1 ZINC001293451925 1066011036 /nfs/dbraw/zinc/01/10/36/1066011036.db2.gz ZEGCMHHGGIOXFZ-GGAORHGYSA-N 1 2 451.567 2.652 20 0 JFADLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)C1 ZINC001293451925 1066011045 /nfs/dbraw/zinc/01/10/45/1066011045.db2.gz ZEGCMHHGGIOXFZ-GGAORHGYSA-N 1 2 451.567 2.652 20 0 JFADLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)C1 ZINC001293451926 1066011071 /nfs/dbraw/zinc/01/10/71/1066011071.db2.gz ZEGCMHHGGIOXFZ-GMAHTHKFSA-N 1 2 451.567 2.652 20 0 JFADLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)c2ccccc2)C1 ZINC001293451926 1066011078 /nfs/dbraw/zinc/01/10/78/1066011078.db2.gz ZEGCMHHGGIOXFZ-GMAHTHKFSA-N 1 2 451.567 2.652 20 0 JFADLO CCC(CC)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CC)C1)[NH+]1CCOCC1 ZINC001293482444 1066021016 /nfs/dbraw/zinc/02/10/16/1066021016.db2.gz COWUOGXAGFWTLU-HLAWJBBLSA-N 1 2 467.680 2.554 20 0 JFADLO CC[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](c2ccco2)[NH+](C)C)CCO1 ZINC001293538920 1066056533 /nfs/dbraw/zinc/05/65/33/1066056533.db2.gz GYHOKWBSUXTDNR-UYAOXDASSA-N 1 2 473.599 2.860 20 0 JFADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC001293580816 1066090151 /nfs/dbraw/zinc/09/01/51/1066090151.db2.gz YUWYRLJJLNJBCI-GFCCVEGCSA-N 1 2 458.403 2.505 20 0 JFADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC001293580816 1066090164 /nfs/dbraw/zinc/09/01/64/1066090164.db2.gz YUWYRLJJLNJBCI-GFCCVEGCSA-N 1 2 458.403 2.505 20 0 JFADLO CC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CC)CCCC2)CC[N@@H+]1CCOC ZINC001293593486 1066099192 /nfs/dbraw/zinc/09/91/92/1066099192.db2.gz GHYZHAGSHJBTCF-PMACEKPBSA-N 1 2 467.680 2.698 20 0 JFADLO CC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CC)CCCC2)CC[N@H+]1CCOC ZINC001293593486 1066099207 /nfs/dbraw/zinc/09/92/07/1066099207.db2.gz GHYZHAGSHJBTCF-PMACEKPBSA-N 1 2 467.680 2.698 20 0 JFADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(C)(C)C)CC[N@@H+]1CCOC ZINC001293597839 1066111067 /nfs/dbraw/zinc/11/10/67/1066111067.db2.gz IIKHIRFNVFPXMH-RBUKOAKNSA-N 1 2 455.669 2.554 20 0 JFADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(C)(C)C)CC[N@H+]1CCOC ZINC001293597839 1066111069 /nfs/dbraw/zinc/11/10/69/1066111069.db2.gz IIKHIRFNVFPXMH-RBUKOAKNSA-N 1 2 455.669 2.554 20 0 JFADLO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C[C@@H](C)O1 ZINC001293598155 1066111801 /nfs/dbraw/zinc/11/18/01/1066111801.db2.gz ZFYAVLQYQYZBOS-DWIQEWEKSA-N 1 2 479.622 2.626 20 0 JFADLO CC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCS(=O)(=O)C(C)(C)C)CC[N@@H+]1CCOC ZINC001293612603 1066129078 /nfs/dbraw/zinc/12/90/78/1066129078.db2.gz MJUFZXHJRLMFKV-OAQYLSRUSA-N 1 2 495.665 2.768 20 0 JFADLO CC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCS(=O)(=O)C(C)(C)C)CC[N@H+]1CCOC ZINC001293612603 1066129082 /nfs/dbraw/zinc/12/90/82/1066129082.db2.gz MJUFZXHJRLMFKV-OAQYLSRUSA-N 1 2 495.665 2.768 20 0 JFADLO CC[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCS(=O)(=O)C(C)(C)C)CC[N@@H+]1CCOC ZINC001293612602 1066129135 /nfs/dbraw/zinc/12/91/35/1066129135.db2.gz MJUFZXHJRLMFKV-NRFANRHFSA-N 1 2 495.665 2.768 20 0 JFADLO CC[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCS(=O)(=O)C(C)(C)C)CC[N@H+]1CCOC ZINC001293612602 1066129139 /nfs/dbraw/zinc/12/91/39/1066129139.db2.gz MJUFZXHJRLMFKV-NRFANRHFSA-N 1 2 495.665 2.768 20 0 JFADLO O=C(Cc1ccccc1)NCCC(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC001293709063 1066179663 /nfs/dbraw/zinc/17/96/63/1066179663.db2.gz HRYNJVSWAAGIAL-UHFFFAOYSA-N 1 2 453.974 2.771 20 0 JFADLO O=C(Cc1ccccc1)NCCC(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC001293709063 1066179667 /nfs/dbraw/zinc/17/96/67/1066179667.db2.gz HRYNJVSWAAGIAL-UHFFFAOYSA-N 1 2 453.974 2.771 20 0 JFADLO CC/C=C\Cn1c(Cc2csc(C)n2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001293714520 1066180350 /nfs/dbraw/zinc/18/03/50/1066180350.db2.gz KPZRVXKVRUEEQO-ICTHTSFCSA-N 1 2 473.691 2.831 20 0 JFADLO CCCC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001293749820 1066223649 /nfs/dbraw/zinc/22/36/49/1066223649.db2.gz IJUJTHJUFQKFOA-VQTJNVASSA-N 1 2 455.607 2.914 20 0 JFADLO CCCC(=O)N[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001293763612 1066250821 /nfs/dbraw/zinc/25/08/21/1066250821.db2.gz XFYMKCUXKCWKRI-OAQYLSRUSA-N 1 2 479.633 2.534 20 0 JFADLO CCC[C@@](C)(O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001293803100 1066313179 /nfs/dbraw/zinc/31/31/79/1066313179.db2.gz XAMFWAPGXJRGNY-XMMPIXPASA-N 1 2 475.037 2.894 20 0 JFADLO CCC[C@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001293818810 1066326358 /nfs/dbraw/zinc/32/63/58/1066326358.db2.gz AJCMEDRMCLLGTQ-DVECYGJZSA-N 1 2 457.623 2.882 20 0 JFADLO CCC[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001293845901 1066348665 /nfs/dbraw/zinc/34/86/65/1066348665.db2.gz CNKQUGLAZSLRHB-LEDOBFOHSA-N 1 2 478.663 2.640 20 0 JFADLO CCC[C@H](C)C(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001293862881 1066372771 /nfs/dbraw/zinc/37/27/71/1066372771.db2.gz KZWCWMSPRRXZOH-GHTZIAJQSA-N 1 2 473.622 2.691 20 0 JFADLO CCC[C@H](C)C(=O)NCCn1c(CC2CCCC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001293866689 1066378461 /nfs/dbraw/zinc/37/84/61/1066378461.db2.gz FDCHLRKHVDFSCJ-IBGZPJMESA-N 1 2 468.650 2.988 20 0 JFADLO CCC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1)OC ZINC001293968288 1066468485 /nfs/dbraw/zinc/46/84/85/1066468485.db2.gz CDVHQFCMZZAENS-UYAOXDASSA-N 1 2 457.623 2.658 20 0 JFADLO CCC[C@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1)OC ZINC001293969030 1066470812 /nfs/dbraw/zinc/47/08/12/1066470812.db2.gz PJCLVGQHHDGUJF-TZIWHRDSSA-N 1 2 471.650 2.668 20 0 JFADLO CCCC(O)(CCC)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001293996592 1066498745 /nfs/dbraw/zinc/49/87/45/1066498745.db2.gz WWHQQJPTFLBCPC-UHFFFAOYSA-N 1 2 455.607 2.567 20 0 JFADLO CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC(C)(C)[NH+]3CCOCC3)cc2)cc1 ZINC000015516930 563011566 /nfs/dbraw/zinc/01/15/66/563011566.db2.gz LKMJXZNWFNLQHF-UHFFFAOYSA-N 1 2 461.584 2.727 20 0 JFADLO CCOC(=O)[C@]12CCO[C@H]1CCN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001164432361 718977084 /nfs/dbraw/zinc/97/70/84/718977084.db2.gz GRSACSGZHZKJBA-HOFKKMOUSA-N 1 2 478.593 2.588 20 0 JFADLO COCCN1CC[N@H+](C)C2(CCN(c3cnc(Cl)nc3Oc3ccc(F)cc3)CC2)C1=O ZINC001164644681 719280629 /nfs/dbraw/zinc/28/06/29/719280629.db2.gz QFMUSZVQRSRWLE-UHFFFAOYSA-N 1 2 463.941 2.821 20 0 JFADLO COCCN1CC[N@@H+](C)C2(CCN(c3cnc(Cl)nc3Oc3ccc(F)cc3)CC2)C1=O ZINC001164644681 719280632 /nfs/dbraw/zinc/28/06/32/719280632.db2.gz QFMUSZVQRSRWLE-UHFFFAOYSA-N 1 2 463.941 2.821 20 0 JFADLO COCCN1CC[N@H+](C)C2(CCN(c3cnc(Cl)nc3Oc3ccc(C)cc3)CC2)C1=O ZINC001164644334 719284412 /nfs/dbraw/zinc/28/44/12/719284412.db2.gz IZCFTWUOLMKYGD-UHFFFAOYSA-N 1 2 459.978 2.990 20 0 JFADLO COCCN1CC[N@@H+](C)C2(CCN(c3cnc(Cl)nc3Oc3ccc(C)cc3)CC2)C1=O ZINC001164644334 719284416 /nfs/dbraw/zinc/28/44/16/719284416.db2.gz IZCFTWUOLMKYGD-UHFFFAOYSA-N 1 2 459.978 2.990 20 0 JFADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3c(n1)N(C)[C@H](C)C(=O)N3)CC2 ZINC001164660600 719350660 /nfs/dbraw/zinc/35/06/60/719350660.db2.gz VWODLXPCFFSQBZ-GOSISDBHSA-N 1 2 472.597 2.948 20 0 JFADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3c(n1)N(C)[C@H](C)C(=O)N3)CC2 ZINC001164660600 719350662 /nfs/dbraw/zinc/35/06/62/719350662.db2.gz VWODLXPCFFSQBZ-GOSISDBHSA-N 1 2 472.597 2.948 20 0 JFADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1S(=O)(=O)NC)CC2 ZINC001164658950 719351540 /nfs/dbraw/zinc/35/15/40/719351540.db2.gz MTIJHUMAOCRHBK-UHFFFAOYSA-N 1 2 466.611 2.684 20 0 JFADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1S(=O)(=O)NC)CC2 ZINC001164658950 719351544 /nfs/dbraw/zinc/35/15/44/719351544.db2.gz MTIJHUMAOCRHBK-UHFFFAOYSA-N 1 2 466.611 2.684 20 0 JFADLO O=C(c1cccnc1N1CC[C@@H]2[C@@H]1CC(=O)N2Cc1cccnc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164690638 719769457 /nfs/dbraw/zinc/76/94/57/719769457.db2.gz GLIZILQHXUUGNC-FTJBHMTQSA-N 1 2 496.615 2.814 20 0 JFADLO CCOC(=O)c1cnc(Cl)c(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)c1Cl ZINC001164704749 719846791 /nfs/dbraw/zinc/84/67/91/719846791.db2.gz SNOQUPPNKBSBJE-RBZFPXEDSA-N 1 2 460.358 2.798 20 0 JFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc(Oc2cccc(F)c2)n1 ZINC001164703543 719861050 /nfs/dbraw/zinc/86/10/50/719861050.db2.gz QDUFDZYLQJBALE-QVKFZJNVSA-N 1 2 465.913 2.689 20 0 JFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C(OC)OC)ccc1NC(=O)C(C)(C)C ZINC001164700955 719862972 /nfs/dbraw/zinc/86/29/72/719862972.db2.gz ITUSDXFBZMFTAC-CRICUBBOSA-N 1 2 492.617 2.590 20 0 JFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2ccn(C(=O)c3ccccc3)c2n1 ZINC001164705652 719865662 /nfs/dbraw/zinc/86/56/62/719865662.db2.gz NIMVKRPVPBBQDO-RLWLMLJZSA-N 1 2 462.550 2.958 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1ccc(Cl)c(Cl)n1)CC2 ZINC001164709460 719906394 /nfs/dbraw/zinc/90/63/94/719906394.db2.gz VMAVWVHMKCTZSA-UHFFFAOYSA-N 1 2 459.328 2.617 20 0 JFADLO COc1ccc2c(c1)nc(Cl)cc2N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708652 719907154 /nfs/dbraw/zinc/90/71/54/719907154.db2.gz FEHDECXFFIXJSO-UHFFFAOYSA-N 1 2 454.962 2.581 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nnc(Cc3ccccc3)c3ccccc31)CC2 ZINC001164708140 719920926 /nfs/dbraw/zinc/92/09/26/719920926.db2.gz FDGRKDZESSTNOK-UHFFFAOYSA-N 1 2 481.604 2.904 20 0 JFADLO C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708795 719922552 /nfs/dbraw/zinc/92/25/52/719922552.db2.gz QSVOPIVLUTZYOC-LJQANCHMSA-N 1 2 488.640 2.692 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1cc(Cl)nc(Cl)c1)CC2 ZINC001164704792 719933145 /nfs/dbraw/zinc/93/31/45/719933145.db2.gz RXALEDNAZJNXIH-UHFFFAOYSA-N 1 2 459.328 2.617 20 0 JFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)C2)C1 ZINC001164720386 720245375 /nfs/dbraw/zinc/24/53/75/720245375.db2.gz USNSCIAEAZNAAI-FQEVSTJZSA-N 1 2 471.911 2.632 20 0 JFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)C2)C1 ZINC001164720386 720245382 /nfs/dbraw/zinc/24/53/82/720245382.db2.gz USNSCIAEAZNAAI-FQEVSTJZSA-N 1 2 471.911 2.632 20 0 JFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(Oc4ccc(SC)cc4)ncn3)C2)C1 ZINC001164722327 720276017 /nfs/dbraw/zinc/27/60/17/720276017.db2.gz PYGOWERMMYZLHD-HSZRJFAPSA-N 1 2 457.600 2.656 20 0 JFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(Oc4ccc(SC)cc4)ncn3)C2)C1 ZINC001164722327 720276023 /nfs/dbraw/zinc/27/60/23/720276023.db2.gz PYGOWERMMYZLHD-HSZRJFAPSA-N 1 2 457.600 2.656 20 0 JFADLO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCc2c([nH+]cn2C(C)C)[C@@H]1CNC(C)=O ZINC001164724062 720310814 /nfs/dbraw/zinc/31/08/14/720310814.db2.gz QITQLSSJEGBJQJ-HNNXBMFYSA-N 1 2 470.908 2.869 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5cccnc54)CC3)C2=O)cs1 ZINC001164824070 720362329 /nfs/dbraw/zinc/36/23/29/720362329.db2.gz IHYTZMMQTLPZFR-UHFFFAOYSA-N 1 2 457.991 2.756 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5cccnc54)CC3)C2=O)cs1 ZINC001164824070 720362335 /nfs/dbraw/zinc/36/23/35/720362335.db2.gz IHYTZMMQTLPZFR-UHFFFAOYSA-N 1 2 457.991 2.756 20 0 JFADLO COc1ccc2c(c1)ncnc2N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164819776 720369650 /nfs/dbraw/zinc/36/96/50/720369650.db2.gz IIFZWJNLLIWBQP-UHFFFAOYSA-N 1 2 452.584 2.717 20 0 JFADLO COc1ccc2c(c1)ncnc2N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164819776 720369660 /nfs/dbraw/zinc/36/96/60/720369660.db2.gz IIFZWJNLLIWBQP-UHFFFAOYSA-N 1 2 452.584 2.717 20 0 JFADLO CCOC(=O)c1cc2cccnc2nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164821014 720369862 /nfs/dbraw/zinc/36/98/62/720369862.db2.gz VUAJHXHIIMWIFP-UHFFFAOYSA-N 1 2 494.621 2.885 20 0 JFADLO CCOC(=O)c1cc2cccnc2nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164821014 720369871 /nfs/dbraw/zinc/36/98/71/720369871.db2.gz VUAJHXHIIMWIFP-UHFFFAOYSA-N 1 2 494.621 2.885 20 0 JFADLO C=Cc1nc(Cl)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c1OC ZINC001164820757 720378301 /nfs/dbraw/zinc/37/83/01/720378301.db2.gz TXUFIQLQBISNEM-UHFFFAOYSA-N 1 2 463.007 2.860 20 0 JFADLO C=Cc1nc(Cl)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c1OC ZINC001164820757 720378304 /nfs/dbraw/zinc/37/83/04/720378304.db2.gz TXUFIQLQBISNEM-UHFFFAOYSA-N 1 2 463.007 2.860 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5c(Cl)ncnc54)CC3)C2=O)cs1 ZINC001164820959 720382794 /nfs/dbraw/zinc/38/27/94/720382794.db2.gz DGUSEPAOQZVKIG-UHFFFAOYSA-N 1 2 493.424 2.805 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5c(Cl)ncnc54)CC3)C2=O)cs1 ZINC001164820959 720382800 /nfs/dbraw/zinc/38/28/00/720382800.db2.gz DGUSEPAOQZVKIG-UHFFFAOYSA-N 1 2 493.424 2.805 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(-c3ccc(Cl)cc3)nn1)C2 ZINC001164825122 720436098 /nfs/dbraw/zinc/43/60/98/720436098.db2.gz QECQEFXXFZQNII-LJQANCHMSA-N 1 2 468.989 2.983 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc3cc(F)c(F)cc3nc1Cl)C2 ZINC001164822058 720447707 /nfs/dbraw/zinc/44/77/07/720447707.db2.gz BZSIKJFLUCTDCY-AWEZNQCLSA-N 1 2 478.931 2.748 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)nnc1-c1ccccc1)C2 ZINC001164825721 720452478 /nfs/dbraw/zinc/45/24/78/720452478.db2.gz UMDVJEVOSRMXKN-LJQANCHMSA-N 1 2 468.989 2.983 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)ncc1OCc1ccccc1)C2 ZINC001164823487 720454317 /nfs/dbraw/zinc/45/43/17/720454317.db2.gz KIVVHEOZQZNNFD-HXUWFJFHSA-N 1 2 499.015 2.895 20 0 JFADLO Cc1ccc(C(F)(F)N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1Cl ZINC001164829343 720456323 /nfs/dbraw/zinc/45/63/23/720456323.db2.gz FWHNLWHZGCYAQN-MRXNPFEDSA-N 1 2 455.937 2.774 20 0 JFADLO Cc1cc(Cl)nc(C(F)(F)N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164829288 720458893 /nfs/dbraw/zinc/45/88/93/720458893.db2.gz FGOWMCDXMCGXHO-MRXNPFEDSA-N 1 2 455.937 2.774 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc(Oc3cccc(F)c3)n1)C2 ZINC001164831297 720466499 /nfs/dbraw/zinc/46/64/99/720466499.db2.gz OJMKTECBPHSDTD-GOSISDBHSA-N 1 2 468.533 2.594 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc(Oc3ccc(F)cc3)n1)C2 ZINC001164829819 720473783 /nfs/dbraw/zinc/47/37/83/720473783.db2.gz HCXNPQRQPOOEQG-SFHVURJKSA-N 1 2 468.533 2.594 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc(Cl)nc1-c1ccccc1)C2 ZINC001164829339 720475691 /nfs/dbraw/zinc/47/56/91/720475691.db2.gz FTQWMQNIODONHU-LJQANCHMSA-N 1 2 468.989 2.983 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc(SCc3ccccc3)n1)C2 ZINC001164835086 720477809 /nfs/dbraw/zinc/47/78/09/720477809.db2.gz WOVZKEVGJNUPGA-OAQYLSRUSA-N 1 2 480.638 2.955 20 0 JFADLO Cc1c(Cl)nc(C2CCC2)nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164835691 720480945 /nfs/dbraw/zinc/48/09/45/720480945.db2.gz ZTABBSNVESDWJN-GOSISDBHSA-N 1 2 461.010 2.892 20 0 JFADLO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001164857953 720896555 /nfs/dbraw/zinc/89/65/55/720896555.db2.gz LPYSBROIFVNTDQ-UHFFFAOYSA-N 1 2 479.875 2.584 20 0 JFADLO Cn1cccc1C(=O)N[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@@H]2CCCO[C@H]12 ZINC001164764064 721063213 /nfs/dbraw/zinc/06/32/13/721063213.db2.gz ATWREPCPFDSVRI-VDKIKQQVSA-N 1 2 472.593 2.540 20 0 JFADLO Cn1cccc1C(=O)N[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@@H]2CCCO[C@H]12 ZINC001164764064 721063215 /nfs/dbraw/zinc/06/32/15/721063215.db2.gz ATWREPCPFDSVRI-VDKIKQQVSA-N 1 2 472.593 2.540 20 0 JFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCC4)C2 ZINC001165009007 721713675 /nfs/dbraw/zinc/71/36/75/721713675.db2.gz MVJBNXBTTOYREO-UHFFFAOYSA-N 1 2 496.685 2.854 20 0 JFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCC4)C2 ZINC001165009007 721713679 /nfs/dbraw/zinc/71/36/79/721713679.db2.gz MVJBNXBTTOYREO-UHFFFAOYSA-N 1 2 496.685 2.854 20 0 JFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1)C2 ZINC001165011796 721722432 /nfs/dbraw/zinc/72/24/32/721722432.db2.gz VACQRYSVCNAYPX-UHFFFAOYSA-N 1 2 462.954 2.525 20 0 JFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1)C2 ZINC001165011796 721722435 /nfs/dbraw/zinc/72/24/35/721722435.db2.gz VACQRYSVCNAYPX-UHFFFAOYSA-N 1 2 462.954 2.525 20 0 JFADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1cc(Cl)nc3c1CCC3)CC2 ZINC001165013776 721766696 /nfs/dbraw/zinc/76/66/96/721766696.db2.gz ABABJTNZMSOPPP-UHFFFAOYSA-N 1 2 475.931 2.691 20 0 JFADLO O=C(NC1CCCCC1)c1cccnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912498 721770624 /nfs/dbraw/zinc/77/06/24/721770624.db2.gz MXKKIYKMEMAFRH-AREMUKBSSA-N 1 2 465.598 2.647 20 0 JFADLO O=C(NC1CCCCC1)c1cccnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912498 721770626 /nfs/dbraw/zinc/77/06/26/721770626.db2.gz MXKKIYKMEMAFRH-AREMUKBSSA-N 1 2 465.598 2.647 20 0 JFADLO COc1cc(C(F)(F)N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cc(Cl)n1 ZINC001164910329 721771473 /nfs/dbraw/zinc/77/14/73/721771473.db2.gz BEBCNQKKMDQVLA-FQEVSTJZSA-N 1 2 454.905 2.791 20 0 JFADLO COc1cc(C(F)(F)N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cc(Cl)n1 ZINC001164910329 721771475 /nfs/dbraw/zinc/77/14/75/721771475.db2.gz BEBCNQKKMDQVLA-FQEVSTJZSA-N 1 2 454.905 2.791 20 0 JFADLO Clc1nc(Cl)c2nc(Cl)nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2n1 ZINC001164912733 721775385 /nfs/dbraw/zinc/77/53/85/721775385.db2.gz OYVJEWAAHVCDFJ-HXUWFJFHSA-N 1 2 496.786 2.883 20 0 JFADLO Clc1nc(Cl)c2nc(Cl)nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2n1 ZINC001164912733 721775389 /nfs/dbraw/zinc/77/53/89/721775389.db2.gz OYVJEWAAHVCDFJ-HXUWFJFHSA-N 1 2 496.786 2.883 20 0 JFADLO COC(=O)c1cc(C(F)(F)N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cnc1Cl ZINC001164910937 721777132 /nfs/dbraw/zinc/77/71/32/721777132.db2.gz CUYWARLNBNFGCX-OAQYLSRUSA-N 1 2 482.915 2.569 20 0 JFADLO COC(=O)c1cc(C(F)(F)N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cnc1Cl ZINC001164910937 721777137 /nfs/dbraw/zinc/77/71/37/721777137.db2.gz CUYWARLNBNFGCX-OAQYLSRUSA-N 1 2 482.915 2.569 20 0 JFADLO COc1ccc2nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c(Cl)nc2c1 ZINC001164910438 721778700 /nfs/dbraw/zinc/77/87/00/721778700.db2.gz BSGFZAAWWHOFJZ-QHCPKHFHSA-N 1 2 455.946 2.795 20 0 JFADLO COc1ccc2nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c(Cl)nc2c1 ZINC001164910438 721778703 /nfs/dbraw/zinc/77/87/03/721778703.db2.gz BSGFZAAWWHOFJZ-QHCPKHFHSA-N 1 2 455.946 2.795 20 0 JFADLO CCOC(=O)c1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1C ZINC001164917519 721782124 /nfs/dbraw/zinc/78/21/24/721782124.db2.gz XZIKHKCWGUJHDR-HSZRJFAPSA-N 1 2 460.962 2.723 20 0 JFADLO CCOC(=O)c1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1C ZINC001164917519 721782130 /nfs/dbraw/zinc/78/21/30/721782130.db2.gz XZIKHKCWGUJHDR-HSZRJFAPSA-N 1 2 460.962 2.723 20 0 JFADLO O=C1N(c2cncnc2)CC[C@]12CCCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001165016510 721783464 /nfs/dbraw/zinc/78/34/64/721783464.db2.gz DDFCETDVQSVRAN-SANMLTNESA-N 1 2 455.566 2.848 20 0 JFADLO O=C1N(c2cncnc2)CC[C@]12CCCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001165016510 721783465 /nfs/dbraw/zinc/78/34/65/721783465.db2.gz DDFCETDVQSVRAN-SANMLTNESA-N 1 2 455.566 2.848 20 0 JFADLO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164917000 721786062 /nfs/dbraw/zinc/78/60/62/721786062.db2.gz VFIRTNMNFBDXLJ-DEOSSOPVSA-N 1 2 474.005 2.766 20 0 JFADLO CC(C)(C)NC(=O)c1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164917000 721786064 /nfs/dbraw/zinc/78/60/64/721786064.db2.gz VFIRTNMNFBDXLJ-DEOSSOPVSA-N 1 2 474.005 2.766 20 0 JFADLO Fc1cccc(Oc2ccnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)c1 ZINC001164917708 721791246 /nfs/dbraw/zinc/79/12/46/721791246.db2.gz YVELNNVTNSFTGW-XMMPIXPASA-N 1 2 451.502 2.911 20 0 JFADLO Fc1cccc(Oc2ccnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)c1 ZINC001164917708 721791248 /nfs/dbraw/zinc/79/12/48/721791248.db2.gz YVELNNVTNSFTGW-XMMPIXPASA-N 1 2 451.502 2.911 20 0 JFADLO O=C(c1cccnc1N1C[C@@H]2CN(c3cccnc3)C(=O)[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001165023682 721791437 /nfs/dbraw/zinc/79/14/37/721791437.db2.gz QQWCYXBULGXGSN-RDGATRHJSA-N 1 2 482.588 2.534 20 0 JFADLO O=C(OCc1ccccc1)c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164914438 721796121 /nfs/dbraw/zinc/79/61/21/721796121.db2.gz NJXBIPQFDKWWAD-HHHXNRCGSA-N 1 2 474.561 2.941 20 0 JFADLO O=C(OCc1ccccc1)c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164914438 721796126 /nfs/dbraw/zinc/79/61/26/721796126.db2.gz NJXBIPQFDKWWAD-HHHXNRCGSA-N 1 2 474.561 2.941 20 0 JFADLO CC(C)c1noc(-c2ccnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2)n1 ZINC001164915009 721797650 /nfs/dbraw/zinc/79/76/50/721797650.db2.gz TVAFNDPSVAMPNV-XMMPIXPASA-N 1 2 450.543 2.758 20 0 JFADLO CC(C)c1noc(-c2ccnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2)n1 ZINC001164915009 721797651 /nfs/dbraw/zinc/79/76/51/721797651.db2.gz TVAFNDPSVAMPNV-XMMPIXPASA-N 1 2 450.543 2.758 20 0 JFADLO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1cc(NS(=O)(=O)c2ccc(Cl)nc2)ccc1F ZINC001164931014 721883755 /nfs/dbraw/zinc/88/37/55/721883755.db2.gz DZHOCZZUTQRIAP-OALUTQOASA-N 1 2 467.998 2.890 20 0 JFADLO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1cc(NS(=O)(=O)c2ccc(Cl)nc2)ccc1F ZINC001164931014 721883757 /nfs/dbraw/zinc/88/37/57/721883757.db2.gz DZHOCZZUTQRIAP-OALUTQOASA-N 1 2 467.998 2.890 20 0 JFADLO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1cc(NS(=O)(=O)c2ccc(Cl)nc2)ccc1F ZINC001164931018 721883956 /nfs/dbraw/zinc/88/39/56/721883956.db2.gz DZHOCZZUTQRIAP-RTBURBONSA-N 1 2 467.998 2.890 20 0 JFADLO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1cc(NS(=O)(=O)c2ccc(Cl)nc2)ccc1F ZINC001164931018 721883957 /nfs/dbraw/zinc/88/39/57/721883957.db2.gz DZHOCZZUTQRIAP-RTBURBONSA-N 1 2 467.998 2.890 20 0 JFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(-c3cccnc3)nc3c1CCC3)CC2 ZINC001164945597 721980151 /nfs/dbraw/zinc/98/01/51/721980151.db2.gz AYXDVDRJGHEHJU-UHFFFAOYSA-N 1 2 454.578 2.998 20 0 JFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(-c3cccnc3)nc3c1CCC3)CC2 ZINC001164945597 721980153 /nfs/dbraw/zinc/98/01/53/721980153.db2.gz AYXDVDRJGHEHJU-UHFFFAOYSA-N 1 2 454.578 2.998 20 0 JFADLO Cc1noc(C[C@@H]2C[C@@H]3CN(c4ncccc4C(=O)N4CC[NH+](Cc5ccccc5)CC4)C[C@H]3O2)n1 ZINC001164963507 722041491 /nfs/dbraw/zinc/04/14/91/722041491.db2.gz ROGOYSZLDIWLEN-AOHZBQACSA-N 1 2 488.592 2.567 20 0 JFADLO Cc1nc(CN2CCO[C@H]3CCN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[C@@H]32)cs1 ZINC001164986271 722185060 /nfs/dbraw/zinc/18/50/60/722185060.db2.gz DXGKOGDTXVMWOO-SFTDATJTSA-N 1 2 484.674 2.707 20 0 JFADLO Cc1nc(CN2CCO[C@H]3CCN(c4nc(N5CCCC5)nc(N5CCCC5)[nH+]4)CC[C@@H]32)cs1 ZINC001164986271 722185061 /nfs/dbraw/zinc/18/50/61/722185061.db2.gz DXGKOGDTXVMWOO-SFTDATJTSA-N 1 2 484.674 2.707 20 0 JFADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)Nc1ccnn1C[C@@H]1CCOC1)Cc1ccccc1 ZINC001264853380 1059706019 /nfs/dbraw/zinc/70/60/19/1059706019.db2.gz CRINWICUWIWOFU-FQEVSTJZSA-N 1 2 457.575 2.885 20 0 JFADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)Nc1ccnn1C[C@@H]1CCOC1)Cc1ccccc1 ZINC001264853380 1059706037 /nfs/dbraw/zinc/70/60/37/1059706037.db2.gz CRINWICUWIWOFU-FQEVSTJZSA-N 1 2 457.575 2.885 20 0 JFADLO CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001265070599 1059761715 /nfs/dbraw/zinc/76/17/15/1059761715.db2.gz IQTOGVHYRXXNKY-IRLDBZIGSA-N 1 2 459.587 2.870 20 0 JFADLO CCOC(=O)c1c(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc(OC)c(OC)c1OC ZINC001266030754 1059955612 /nfs/dbraw/zinc/95/56/12/1059955612.db2.gz CYJZICXVVCFHFT-LJQANCHMSA-N 1 2 458.511 2.729 20 0 JFADLO CCOC(=O)c1c(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc(OC)c(OC)c1OC ZINC001266030754 1059955643 /nfs/dbraw/zinc/95/56/43/1059955643.db2.gz CYJZICXVVCFHFT-LJQANCHMSA-N 1 2 458.511 2.729 20 0 JFADLO Cc1ccc(CN(C)c2nnc(C(=O)NC(C)C)n2Cc2ccc[nH+]c2N2CCOCC2)s1 ZINC001289631104 1061265397 /nfs/dbraw/zinc/26/53/97/1061265397.db2.gz ODVPNRIKYYYQPZ-UHFFFAOYSA-N 1 2 469.615 2.703 20 0 JFADLO Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C(C)C)[NH+]2CCOCC2)o1 ZINC001289631123 1061265579 /nfs/dbraw/zinc/26/55/79/1061265579.db2.gz OVBSJJUTKACIFL-HXUWFJFHSA-N 1 2 467.574 2.820 20 0 JFADLO CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CCOC[C@@H]2C)[C@@H](C)C1 ZINC001286870313 1061265973 /nfs/dbraw/zinc/26/59/73/1061265973.db2.gz AIWXHDNQTSHCDT-ONTIZHBOSA-N 1 2 484.645 2.813 20 0 JFADLO CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CCOC[C@@H]2C)[C@@H](C)C1 ZINC001286870313 1061265993 /nfs/dbraw/zinc/26/59/93/1061265993.db2.gz AIWXHDNQTSHCDT-ONTIZHBOSA-N 1 2 484.645 2.813 20 0 JFADLO CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2CCCNc2cccc[nH+]2)[C@H](C)C1 ZINC001286882663 1061310300 /nfs/dbraw/zinc/31/03/00/1061310300.db2.gz CXVOCXXUTAXUOR-MRXNPFEDSA-N 1 2 454.604 2.588 20 0 JFADLO CC(=O)N1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001286882808 1061311799 /nfs/dbraw/zinc/31/17/99/1061311799.db2.gz JLEHFTCGRLKVAU-HXUWFJFHSA-N 1 2 484.645 2.544 20 0 JFADLO Cc1ccc(NC(=O)c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H]2CCSC2)cc1C ZINC001289726161 1061334393 /nfs/dbraw/zinc/33/43/93/1061334393.db2.gz FOJSKICLDGWJSJ-LJQANCHMSA-N 1 2 458.632 2.669 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(C(C)C)nnc2N(C)[C@H]2CCCN(c3ccccc3)C2)CC1 ZINC001286888780 1061343874 /nfs/dbraw/zinc/34/38/74/1061343874.db2.gz FNLXFLBADBJCRA-QHCPKHFHSA-N 1 2 453.635 2.671 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCO3)nnc2N(C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001286889179 1061345900 /nfs/dbraw/zinc/34/59/00/1061345900.db2.gz FNUVEZXIXSLIRX-HXUWFJFHSA-N 1 2 480.535 2.949 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCS[C@@H](C)[C@H]2C)CC1 ZINC001286889231 1061346537 /nfs/dbraw/zinc/34/65/37/1061346537.db2.gz HIYGYDVVRYRJDS-KOUHRCEDSA-N 1 2 478.707 2.691 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCSCC2)CC1 ZINC001286889261 1061346826 /nfs/dbraw/zinc/34/68/26/1061346826.db2.gz HPSKCABXDCWVRB-QGZVFWFLSA-N 1 2 479.050 2.789 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(C(C)C)nnc2N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC001286889290 1061346928 /nfs/dbraw/zinc/34/69/28/1061346928.db2.gz ISPDMYARQSOOGV-LJQANCHMSA-N 1 2 483.617 2.720 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccsc3)nnc2N(C)CCOc2cccc(C)c2)CC1 ZINC001286889946 1061350735 /nfs/dbraw/zinc/35/07/35/1061350735.db2.gz KPMCIRAFTDYDHO-UHFFFAOYSA-N 1 2 482.654 2.918 20 0 JFADLO Cc1ccc(NC(=O)c2nnc(N3CCCO[C@H](C)C3)n2CC[N@@H+]2CCOCC2(C)C)cc1C ZINC001289738690 1061351371 /nfs/dbraw/zinc/35/13/71/1061351371.db2.gz CQTKFOXPWXFYQT-HXUWFJFHSA-N 1 2 470.618 2.873 20 0 JFADLO Cc1ccc(NC(=O)c2nnc(N3CCCO[C@H](C)C3)n2CC[N@H+]2CCOCC2(C)C)cc1C ZINC001289738690 1061351391 /nfs/dbraw/zinc/35/13/91/1061351391.db2.gz CQTKFOXPWXFYQT-HXUWFJFHSA-N 1 2 470.618 2.873 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C)c(C)c3)nnc2N2CCSC[C@H]2C)CC1 ZINC001286889907 1061352367 /nfs/dbraw/zinc/35/23/67/1061352367.db2.gz MXFPPYCVXREVII-HXUWFJFHSA-N 1 2 472.659 2.580 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3ccccc3F)nnc2N2CCC(C(F)(F)F)CC2)CC1 ZINC001286890403 1061354246 /nfs/dbraw/zinc/35/42/46/1061354246.db2.gz QPCMAVKQGQHCJD-UHFFFAOYSA-N 1 2 498.525 2.939 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccsc3)nnc2N(C)Cc2cccc(F)c2)CC1 ZINC001286890398 1061354289 /nfs/dbraw/zinc/35/42/89/1061354289.db2.gz POWWVBCZPSBJGF-UHFFFAOYSA-N 1 2 456.591 2.870 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001286890437 1061354378 /nfs/dbraw/zinc/35/43/78/1061354378.db2.gz RBIJIAJOJVKONW-FQEVSTJZSA-N 1 2 484.645 2.544 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(CCOc3ccccc3)nnc2N2CCC(C(F)(F)F)CC2)CC1 ZINC001286890586 1061355586 /nfs/dbraw/zinc/35/55/86/1061355586.db2.gz SWQCJKLTHSBEED-UHFFFAOYSA-N 1 2 494.562 2.842 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(F)cc3)nnc2N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001286891018 1061358225 /nfs/dbraw/zinc/35/82/25/1061358225.db2.gz YCAFPNOHFABKHN-RTBURBONSA-N 1 2 458.582 2.643 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(CCc3ccccc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)CC1 ZINC001286891080 1061358739 /nfs/dbraw/zinc/35/87/39/1061358739.db2.gz ZQPZGCFZQHYVMF-MHZLTWQESA-N 1 2 482.673 2.869 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(C3CCC3)nnc2N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001286891621 1061361632 /nfs/dbraw/zinc/36/16/32/1061361632.db2.gz LMWFZPKXEPFKCT-NRFANRHFSA-N 1 2 489.665 2.545 20 0 JFADLO Cc1ccc(-c2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2C[C@@H](C)[NH+]2CCOCC2)o1 ZINC001289753102 1061374949 /nfs/dbraw/zinc/37/49/49/1061374949.db2.gz JJLDZNFKGZGKFJ-GOSISDBHSA-N 1 2 452.559 2.951 20 0 JFADLO Cc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1Cc1cc(C)ccc1OC(F)F ZINC001289766441 1061387405 /nfs/dbraw/zinc/38/74/05/1061387405.db2.gz IXJSLMOCRVDUQK-OAQYLSRUSA-N 1 2 478.588 2.776 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)cc1 ZINC001289818150 1061474200 /nfs/dbraw/zinc/47/42/00/1061474200.db2.gz KNLSFBOEJOCKHW-OAQYLSRUSA-N 1 2 484.626 2.688 20 0 JFADLO Cc1ccc(OCc2nnc(N3CC[NH+]([C@@H](C)C(=O)N4CCCC4)CC3)n2C[C@](C)(O)C(C)C)cc1 ZINC001289821882 1061484929 /nfs/dbraw/zinc/48/49/29/1061484929.db2.gz VSYSLSKAETWBED-CUNXSJBXSA-N 1 2 498.672 2.705 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCOC[C@H]3C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1C ZINC001289832446 1061508788 /nfs/dbraw/zinc/50/87/88/1061508788.db2.gz WOVZGSMXLVDPRI-OAQYLSRUSA-N 1 2 456.635 2.725 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCOC[C@H]3C)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1C ZINC001289832446 1061508808 /nfs/dbraw/zinc/50/88/08/1061508808.db2.gz WOVZGSMXLVDPRI-OAQYLSRUSA-N 1 2 456.635 2.725 20 0 JFADLO Cc1ccc(SCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCCS(C)(=O)=O)cc1 ZINC001289875245 1061557110 /nfs/dbraw/zinc/55/71/10/1061557110.db2.gz GOJLETYDUOKBHF-UHFFFAOYSA-N 1 2 451.662 2.844 20 0 JFADLO Cc1ccc(SCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2CC(C)(C)[NH+]2CCOCC2)cc1 ZINC001289880134 1061566587 /nfs/dbraw/zinc/56/65/87/1061566587.db2.gz ZDHFHXHXHYDNBQ-LJQANCHMSA-N 1 2 472.659 2.657 20 0 JFADLO Cc1cccc([C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC(F)(F)F)[NH+]2CCOCC2)c1 ZINC001289893305 1061578206 /nfs/dbraw/zinc/57/82/06/1061578206.db2.gz HEEPBDMXBUVAEK-ZWKOTPCHSA-N 1 2 466.508 2.610 20 0 JFADLO CCC[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001294098385 1061578691 /nfs/dbraw/zinc/57/86/91/1061578691.db2.gz VVHOBHMQZVCHOW-SFHVURJKSA-N 1 2 469.615 2.784 20 0 JFADLO Cc1cn2c([nH+]1)[C@H](Cn1c(-c3cccc(C)n3)nnc1N(C)[C@H](C)CS(C)(=O)=O)CCC2 ZINC001289908315 1061596821 /nfs/dbraw/zinc/59/68/21/1061596821.db2.gz FNMQNADNBPIECH-MSOLQXFVSA-N 1 2 457.604 2.600 20 0 JFADLO CC(=O)NC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CCO1 ZINC001286948683 1061661793 /nfs/dbraw/zinc/66/17/93/1061661793.db2.gz USVJTPUGJNEVAL-XLIONFOSSA-N 1 2 478.588 2.789 20 0 JFADLO Cc1cccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2Cc2ccc(N(C)C)[nH+]c2)n1 ZINC001289971505 1061675095 /nfs/dbraw/zinc/67/50/95/1061675095.db2.gz CECYHSKJJHOTAL-FQEVSTJZSA-N 1 2 462.602 2.899 20 0 JFADLO CC(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001286951227 1061688105 /nfs/dbraw/zinc/68/81/05/1061688105.db2.gz FLNDCIVHVFKJQD-FQEVSTJZSA-N 1 2 470.622 2.594 20 0 JFADLO CC(=O)NCCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001286951228 1061688188 /nfs/dbraw/zinc/68/81/88/1061688188.db2.gz FLNDCIVHVFKJQD-HXUWFJFHSA-N 1 2 470.622 2.594 20 0 JFADLO CC(=O)NCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001286952533 1061696946 /nfs/dbraw/zinc/69/69/46/1061696946.db2.gz RXWOAXMCVVJDPA-UHFFFAOYSA-N 1 2 471.993 2.667 20 0 JFADLO Cc1cccc(-c2nnc(N3CC[NH+]([C@@H](C)C(=O)N4CCCC4)CC3)n2C[C@@](C)(O)CCC(C)C)n1 ZINC001289981337 1061703721 /nfs/dbraw/zinc/70/37/21/1061703721.db2.gz SJWNHIBOSJLXDW-CUNXSJBXSA-N 1 2 497.688 2.969 20 0 JFADLO CC(=O)NCCCn1c(COc2ccc(F)cc2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001286954698 1061706625 /nfs/dbraw/zinc/70/66/25/1061706625.db2.gz HDXGZWCMIDIDBO-UHFFFAOYSA-N 1 2 487.605 2.610 20 0 JFADLO CC(=O)NCCN(Cc1ccsc1)c1nnc([C@@H]2CCCCO2)n1CC[N@@H+]1CCOCC1(C)C ZINC001286959556 1061729774 /nfs/dbraw/zinc/72/97/74/1061729774.db2.gz WFRPRCXGBJPFSY-NRFANRHFSA-N 1 2 490.674 2.835 20 0 JFADLO CC(=O)NCCN(Cc1ccsc1)c1nnc([C@@H]2CCCCO2)n1CC[N@H+]1CCOCC1(C)C ZINC001286959556 1061729799 /nfs/dbraw/zinc/72/97/99/1061729799.db2.gz WFRPRCXGBJPFSY-NRFANRHFSA-N 1 2 490.674 2.835 20 0 JFADLO Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001290003689 1061730100 /nfs/dbraw/zinc/73/01/00/1061730100.db2.gz RDVGZIZGDSPMPX-IBGZPJMESA-N 1 2 471.606 2.856 20 0 JFADLO Cc1cccc(CCCn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001290008917 1061732592 /nfs/dbraw/zinc/73/25/92/1061732592.db2.gz DCWSFMGCNCOWJN-FPOVZHCZSA-N 1 2 486.617 2.848 20 0 JFADLO Cc1cccc(CCCn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001290008916 1061732790 /nfs/dbraw/zinc/73/27/90/1061732790.db2.gz DCWSFMGCNCOWJN-CTNGQTDRSA-N 1 2 486.617 2.848 20 0 JFADLO Cc1cccc(CCCn2c(CC(C)(C)C)nnc2N2CCC3(CC2)NC(=O)N(C)C3=O)[nH+]1 ZINC001290008998 1061733327 /nfs/dbraw/zinc/73/33/27/1061733327.db2.gz GIOTUEHGGFSKGQ-UHFFFAOYSA-N 1 2 453.591 2.724 20 0 JFADLO Cc1cccc(CCCn2c(Cc3ccccc3F)nnc2N(C)CC(=O)N2CCOCC2)[nH+]1 ZINC001290010926 1061735611 /nfs/dbraw/zinc/73/56/11/1061735611.db2.gz ZIEKQQHKAJOWKQ-UHFFFAOYSA-N 1 2 466.561 2.639 20 0 JFADLO CCOc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)cc1S(=O)(=O)N1CCCC1 ZINC001290012749 1061735759 /nfs/dbraw/zinc/73/57/59/1061735759.db2.gz CTOLBBCWUBCINP-FQEVSTJZSA-N 1 2 458.584 2.868 20 0 JFADLO CCOc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)cc1S(=O)(=O)N1CCCC1 ZINC001290012749 1061735782 /nfs/dbraw/zinc/73/57/82/1061735782.db2.gz CTOLBBCWUBCINP-FQEVSTJZSA-N 1 2 458.584 2.868 20 0 JFADLO O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001294226950 1061740646 /nfs/dbraw/zinc/74/06/46/1061740646.db2.gz MHRZCQNSEGKWDZ-NRFANRHFSA-N 1 2 458.565 2.519 20 0 JFADLO O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001294226950 1061740656 /nfs/dbraw/zinc/74/06/56/1061740656.db2.gz MHRZCQNSEGKWDZ-NRFANRHFSA-N 1 2 458.565 2.519 20 0 JFADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(F)(F)F)CC1 ZINC001286971911 1061751089 /nfs/dbraw/zinc/75/10/89/1061751089.db2.gz MCQMTGOCCRRJNF-MRXNPFEDSA-N 1 2 468.499 2.703 20 0 JFADLO Cc1ccc(NCCCNC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)[nH+]c1 ZINC001294247554 1061755032 /nfs/dbraw/zinc/75/50/32/1061755032.db2.gz LQMUUYGSMBOACQ-UHFFFAOYSA-N 1 2 454.552 2.806 20 0 JFADLO C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc(CC(C)(C)C)n2CCCNc2cccc[nH+]2)CC1 ZINC001286972761 1061755892 /nfs/dbraw/zinc/75/58/92/1061755892.db2.gz VWTKAHQAHZOKTM-OAQYLSRUSA-N 1 2 482.677 2.897 20 0 JFADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC[C@H]2CCCCO2)CC1 ZINC001286973004 1061757912 /nfs/dbraw/zinc/75/79/12/1061757912.db2.gz YKXUOIAMQLAXDE-LEWJYISDSA-N 1 2 460.667 2.959 20 0 JFADLO CCCCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001294254776 1061759481 /nfs/dbraw/zinc/75/94/81/1061759481.db2.gz TTXRUTIIALPKEJ-MOPGFXCFSA-N 1 2 464.636 2.516 20 0 JFADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC(C)(C)O)CC1 ZINC001286973827 1061764762 /nfs/dbraw/zinc/76/47/62/1061764762.db2.gz XCFSDMGQUALFRA-MRXNPFEDSA-N 1 2 461.010 2.549 20 0 JFADLO COc1cc2c(cc1OC)CN(C(=O)CCC(=O)NCCc1cn3cccc(C)c3[nH+]1)CC2 ZINC001294275413 1061768775 /nfs/dbraw/zinc/76/87/75/1061768775.db2.gz YLLCKMGVIRPURF-UHFFFAOYSA-N 1 2 450.539 2.684 20 0 JFADLO Cc1cccn2cc(CCNC(=O)c3cn([C@H]4CCCN(C(=O)OC(C)(C)C)C4)nn3)[nH+]c12 ZINC001294275120 1061768837 /nfs/dbraw/zinc/76/88/37/1061768837.db2.gz VDBWMBVPVNAREQ-SFHVURJKSA-N 1 2 453.547 2.779 20 0 JFADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccccn2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001286975357 1061776478 /nfs/dbraw/zinc/77/64/78/1061776478.db2.gz LVLBRKAMBYYSNH-JBYIUTFZSA-N 1 2 488.633 2.964 20 0 JFADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001286975944 1061779502 /nfs/dbraw/zinc/77/95/02/1061779502.db2.gz DULCYLFNSRTHLQ-MSOLQXFVSA-N 1 2 471.631 2.585 20 0 JFADLO Cc1cccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)c1 ZINC001290066878 1061791500 /nfs/dbraw/zinc/79/15/00/1061791500.db2.gz QNTAWYNBEKDLSJ-LJQANCHMSA-N 1 2 463.586 2.767 20 0 JFADLO Cc1cccc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC2(S(C)(=O)=O)CC2)c1 ZINC001290071855 1061799760 /nfs/dbraw/zinc/79/97/60/1061799760.db2.gz VMCXCGUMVKTRDU-UHFFFAOYSA-N 1 2 461.632 2.663 20 0 JFADLO Cc1ccccc1-c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CC[S@](=O)C(C)(C)C ZINC001290117674 1061845493 /nfs/dbraw/zinc/84/54/93/1061845493.db2.gz QAQUKQXKZJSZMD-CGKQSPDFSA-N 1 2 459.660 2.959 20 0 JFADLO Cc1ccccc1Cc1nnc(N(C)CC(=O)NC(C)C)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001290148312 1061891711 /nfs/dbraw/zinc/89/17/11/1061891711.db2.gz XNWPLYNERUGNOE-OAQYLSRUSA-N 1 2 491.640 2.807 20 0 JFADLO Cc1ccccc1Cc1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001290151475 1061892435 /nfs/dbraw/zinc/89/24/35/1061892435.db2.gz AQHIPJZEMKHSSR-SFHVURJKSA-N 1 2 458.010 2.921 20 0 JFADLO CCCCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc[nH+]c2N2CCOCC2)CC1 ZINC001294357472 1061926690 /nfs/dbraw/zinc/92/66/90/1061926690.db2.gz OZJNYCIJZIVQRN-UHFFFAOYSA-N 1 2 483.661 2.889 20 0 JFADLO CC(C)(C)c1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1C[C@@H]1COCCO1 ZINC001287012574 1061945058 /nfs/dbraw/zinc/94/50/58/1061945058.db2.gz ZDLSVIFQEPYETR-GOSISDBHSA-N 1 2 464.010 2.845 20 0 JFADLO Cc1ccccc1O[C@@H](C)Cn1c(Cc2ccncc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001290206166 1061950929 /nfs/dbraw/zinc/95/09/29/1061950929.db2.gz XPPAXJWBUPMCCX-NRFANRHFSA-N 1 2 450.587 2.808 20 0 JFADLO CC(C)(C)[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2cccc(F)c2)CC1 ZINC001287043800 1062017037 /nfs/dbraw/zinc/01/70/37/1062017037.db2.gz MATXWVFULBJKGP-LJQANCHMSA-N 1 2 463.623 2.873 20 0 JFADLO CC(C)(C)[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)s2)CC1 ZINC001287044661 1062020084 /nfs/dbraw/zinc/02/00/84/1062020084.db2.gz VPPRMVXMRGAQST-CQSZACIVSA-N 1 2 458.053 2.864 20 0 JFADLO CC(C)(C)[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CC2(CS(C)(=O)=O)CC2)CC1 ZINC001287045032 1062022113 /nfs/dbraw/zinc/02/21/13/1062022113.db2.gz YVHUMFNUTIQHBX-UHFFFAOYSA-N 1 2 463.623 2.753 20 0 JFADLO CC(C)(C)[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(Cl)c2)CC1 ZINC001287045197 1062022794 /nfs/dbraw/zinc/02/27/94/1062022794.db2.gz ZTNFOVPXTKEHBW-KRWDZBQOSA-N 1 2 452.024 2.802 20 0 JFADLO Cc1coc(C)c1Cn1c(CC(C)C)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001290307633 1062035146 /nfs/dbraw/zinc/03/51/46/1062035146.db2.gz QVDXXPLYJDVDAV-QFIPXVFZSA-N 1 2 458.651 2.966 20 0 JFADLO CCCN(CC1CC1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001294548769 1062074786 /nfs/dbraw/zinc/07/47/86/1062074786.db2.gz SMQMHXLFXBBNGO-CTNGQTDRSA-N 1 2 492.665 2.934 20 0 JFADLO CCCN(CC1CC1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001294548769 1062074806 /nfs/dbraw/zinc/07/48/06/1062074806.db2.gz SMQMHXLFXBBNGO-CTNGQTDRSA-N 1 2 492.665 2.934 20 0 JFADLO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNc2cccc[nH+]2)C1 ZINC001287057800 1062082864 /nfs/dbraw/zinc/08/28/64/1062082864.db2.gz RHPVJFNFNMGVPW-QZTJIDSGSA-N 1 2 484.605 2.620 20 0 JFADLO C[C@H](Oc1cccc(Br)c1)C(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001294571074 1062083980 /nfs/dbraw/zinc/08/39/80/1062083980.db2.gz BNTAWIRTLFAOQI-GOEBONIOSA-N 1 2 456.381 2.884 20 0 JFADLO C[C@H](Oc1cccc(Br)c1)C(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001294571074 1062084000 /nfs/dbraw/zinc/08/40/00/1062084000.db2.gz BNTAWIRTLFAOQI-GOEBONIOSA-N 1 2 456.381 2.884 20 0 JFADLO C[N@@H+]1CCN(C(=O)C2(c3cncc(Br)c3)CC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001294573995 1062087748 /nfs/dbraw/zinc/08/77/48/1062087748.db2.gz UQISFHLOSRTZFQ-MRXNPFEDSA-N 1 2 453.381 2.543 20 0 JFADLO C[N@H+]1CCN(C(=O)C2(c3cncc(Br)c3)CC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001294573995 1062087764 /nfs/dbraw/zinc/08/77/64/1062087764.db2.gz UQISFHLOSRTZFQ-MRXNPFEDSA-N 1 2 453.381 2.543 20 0 JFADLO C[N@@H+]1CCN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001294574174 1062088132 /nfs/dbraw/zinc/08/81/32/1062088132.db2.gz XXNBGUVQEIPPLW-SFHVURJKSA-N 1 2 457.550 2.781 20 0 JFADLO C[N@H+]1CCN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001294574174 1062088154 /nfs/dbraw/zinc/08/81/54/1062088154.db2.gz XXNBGUVQEIPPLW-SFHVURJKSA-N 1 2 457.550 2.781 20 0 JFADLO CC(C)(C)OC(=O)NC[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNc2cccc[nH+]2)C1 ZINC001287062256 1062104116 /nfs/dbraw/zinc/10/41/16/1062104116.db2.gz AMFKBRRTERWZJR-LJQANCHMSA-N 1 2 498.632 2.762 20 0 JFADLO CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC001294594070 1062105399 /nfs/dbraw/zinc/10/53/99/1062105399.db2.gz JZDXSRAJJNJRRL-UHFFFAOYSA-N 1 2 450.534 2.947 20 0 JFADLO Cc1nc(Cc2nnc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)n2CC[S@@](=O)C(C)(C)C)cs1 ZINC001290428075 1062179571 /nfs/dbraw/zinc/17/95/71/1062179571.db2.gz CROXRTSTZLVKJD-DUTUXMCTSA-N 1 2 494.731 2.730 20 0 JFADLO COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCC[C@H](Cc4[nH+]ccn4C)C3)CC2)c1 ZINC001294660553 1062209749 /nfs/dbraw/zinc/20/97/49/1062209749.db2.gz QUQCJTNAJZCABS-GOSISDBHSA-N 1 2 454.571 2.771 20 0 JFADLO CC(C)(C)Oc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)(C)C)CC2)cn1 ZINC001287076684 1062227996 /nfs/dbraw/zinc/22/79/96/1062227996.db2.gz WPFXPRMYGZNIOR-LJQANCHMSA-N 1 2 490.674 2.721 20 0 JFADLO CC(C)(C)OCCn1c(-c2ccccc2F)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001287078570 1062230103 /nfs/dbraw/zinc/23/01/03/1062230103.db2.gz CUQHEMQGIVYMIT-UHFFFAOYSA-N 1 2 458.582 2.644 20 0 JFADLO Cc1cc(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC001294690576 1062249460 /nfs/dbraw/zinc/24/94/60/1062249460.db2.gz DMGVNMYASPPEQY-IBGZPJMESA-N 1 2 452.477 2.763 20 0 JFADLO CC(C)(C)[S@](=O)CCn1c([C@H]2CCCO2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001287086550 1062263206 /nfs/dbraw/zinc/26/32/06/1062263206.db2.gz QHHYIJMQVKVMQJ-FZCVPHRRSA-N 1 2 475.659 2.532 20 0 JFADLO CC(C)(C)[S@](=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001287089138 1062274449 /nfs/dbraw/zinc/27/44/49/1062274449.db2.gz QMAXRJMLKUAHIC-HOXYJEKUSA-N 1 2 467.680 2.616 20 0 JFADLO Cc1ncc(C[NH+]2CCN(c3nnc([C@]4(OC(C)C)CCOC4)n3CCOC(C)C)CC2)s1 ZINC001290496506 1062285422 /nfs/dbraw/zinc/28/54/22/1062285422.db2.gz LWMRLFGEACYWQU-QHCPKHFHSA-N 1 2 478.663 2.831 20 0 JFADLO Cc1nc(N2CCN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(Cl)cc3)CC2)cc[nH+]1 ZINC001290496714 1062286001 /nfs/dbraw/zinc/28/60/01/1062286001.db2.gz QKAKXWFXHCWTAR-UHFFFAOYSA-N 1 2 454.966 2.543 20 0 JFADLO Cc1nc(N2CCN(c3nnc([C@H](C)Oc4cccc(Cl)c4)n3CCC(=O)N(C)C)CC2)cc[nH+]1 ZINC001290496738 1062286644 /nfs/dbraw/zinc/28/66/44/1062286644.db2.gz RMTDYDROKACJIM-KRWDZBQOSA-N 1 2 499.019 2.975 20 0 JFADLO Cc1nc(N2CCN(c3nnc(CCOc4ccccc4)n3CC[S@@](=O)C(C)(C)C)CC2)cc[nH+]1 ZINC001290501811 1062295145 /nfs/dbraw/zinc/29/51/45/1062295145.db2.gz SFVHMNUTMKWZCI-PGUFJCEWSA-N 1 2 497.669 2.872 20 0 JFADLO Cc1nc(N2CCN(c3nnc([C@H]4CCOC4)n3CC(C)(C)NC(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC001290501796 1062295485 /nfs/dbraw/zinc/29/54/85/1062295485.db2.gz RZIIHIJCUMKBNL-SFHVURJKSA-N 1 2 486.621 2.510 20 0 JFADLO Cc1nc(N2CCN(c3nnc([C@@H]4CCOC4)n3CCCCNC(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC001290501896 1062295893 /nfs/dbraw/zinc/29/58/93/1062295893.db2.gz TYINKALBQLJCLY-LJQANCHMSA-N 1 2 486.621 2.512 20 0 JFADLO CCCN1CCCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(N(C)C)[nH+]c2)CC1=O ZINC001294724664 1062305672 /nfs/dbraw/zinc/30/56/72/1062305672.db2.gz IXIZAEGDTDYXPE-UHFFFAOYSA-N 1 2 468.993 2.952 20 0 JFADLO CCCN1CCCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ccc(N(C)C)[nH+]c2)CC1=O ZINC001294724682 1062305813 /nfs/dbraw/zinc/30/58/13/1062305813.db2.gz JGOLJOYUZROOQA-UHFFFAOYSA-N 1 2 493.612 2.920 20 0 JFADLO Cc1[nH+]ccn1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001290521848 1062322212 /nfs/dbraw/zinc/32/22/12/1062322212.db2.gz BLRDJEZUMPITAF-UHFFFAOYSA-N 1 2 458.998 2.746 20 0 JFADLO CCCN1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C)[NH+]2CCOCC2)CC1=O ZINC001294741294 1062327183 /nfs/dbraw/zinc/32/71/83/1062327183.db2.gz YBFSVQHURPNQEV-JOCHJYFZSA-N 1 2 484.645 2.643 20 0 JFADLO CC(C)C(=O)N1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCNc2cccc[nH+]2)CC1 ZINC001287112492 1062329778 /nfs/dbraw/zinc/32/97/78/1062329778.db2.gz ROQLFFKJEACGDW-UHFFFAOYSA-N 1 2 491.600 2.517 20 0 JFADLO CCCN1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCc2cccc(C)[nH+]2)CC1=O ZINC001294743891 1062334100 /nfs/dbraw/zinc/33/41/00/1062334100.db2.gz YMNNJHPTBJCDCS-REWPJTCUSA-N 1 2 470.618 2.787 20 0 JFADLO CC(C)C(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001287116169 1062345904 /nfs/dbraw/zinc/34/59/04/1062345904.db2.gz JYADOUFOZJZFDM-UHFFFAOYSA-N 1 2 483.567 2.961 20 0 JFADLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC001290570671 1062373240 /nfs/dbraw/zinc/37/32/40/1062373240.db2.gz HYSYXMLAYQYQEQ-OAHLLOKOSA-N 1 2 450.870 2.563 20 0 JFADLO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001287124531 1062382543 /nfs/dbraw/zinc/38/25/43/1062382543.db2.gz IPNCVVODHIAQNI-CTNGQTDRSA-N 1 2 474.675 2.640 20 0 JFADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc(I)cc1-n1cnnn1 ZINC001290586802 1062397219 /nfs/dbraw/zinc/39/72/19/1062397219.db2.gz DRXGKSZTCNPQGM-UHFFFAOYSA-N 1 2 457.235 2.705 20 0 JFADLO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccn3C)n2CCCNc2cccc[nH+]2)C1 ZINC001294792520 1062415183 /nfs/dbraw/zinc/41/51/83/1062415183.db2.gz VTWHGFCCFMQXDP-LJQANCHMSA-N 1 2 450.591 2.923 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)c(F)c3)n2C[C@@H](C)[NH+]2CCOCC2)n1 ZINC001290599541 1062429146 /nfs/dbraw/zinc/42/91/46/1062429146.db2.gz VTYZFTSHILHRER-GOSISDBHSA-N 1 2 459.545 2.775 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(Br)o3)n2C[C@H](C)[NH+]2CCOCC2)n1 ZINC001290599724 1062430263 /nfs/dbraw/zinc/43/02/63/1062430263.db2.gz YFSOVFVKHSWWTL-KRWDZBQOSA-N 1 2 492.422 2.852 20 0 JFADLO CC(C)[C@@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001287153182 1062530815 /nfs/dbraw/zinc/53/08/15/1062530815.db2.gz KSBUMYLYZQBDMI-DEOSSOPVSA-N 1 2 483.642 2.700 20 0 JFADLO Cc1cc(C)n(CCCn2c(CC(C)C)nnc2N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1 ZINC001290667845 1062578643 /nfs/dbraw/zinc/57/86/43/1062578643.db2.gz RXUCJCDRUOTTLP-XMMPIXPASA-N 1 2 486.709 2.611 20 0 JFADLO CC(C)c1nnc(N(C)C[C@H](c2cccs2)N2CCOCC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001287175487 1062599338 /nfs/dbraw/zinc/59/93/38/1062599338.db2.gz YMKVJPNZOHGXHB-VQTJNVASSA-N 1 2 462.664 2.693 20 0 JFADLO Cc1nnc(N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001290708450 1062641767 /nfs/dbraw/zinc/64/17/67/1062641767.db2.gz CTFLWZIUXZSUSD-PMACEKPBSA-N 1 2 477.613 2.911 20 0 JFADLO Cc1nnc(N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001290708451 1062641910 /nfs/dbraw/zinc/64/19/10/1062641910.db2.gz CTFLWZIUXZSUSD-UXHICEINSA-N 1 2 477.613 2.911 20 0 JFADLO CC(C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001287204357 1062649630 /nfs/dbraw/zinc/64/96/30/1062649630.db2.gz VZFSOKSJGOPSOP-IBGZPJMESA-N 1 2 463.577 2.781 20 0 JFADLO CC(C)c1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001287213849 1062672667 /nfs/dbraw/zinc/67/26/67/1062672667.db2.gz FJFUAIKIDPETOK-SFHVURJKSA-N 1 2 461.010 2.738 20 0 JFADLO CC(C)c1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001287213849 1062672683 /nfs/dbraw/zinc/67/26/83/1062672683.db2.gz FJFUAIKIDPETOK-SFHVURJKSA-N 1 2 461.010 2.738 20 0 JFADLO CC(C)c1nnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001287225558 1062714446 /nfs/dbraw/zinc/71/44/46/1062714446.db2.gz ZVQIVZAFDRJFSW-UHFFFAOYSA-N 1 2 487.605 2.561 20 0 JFADLO Cc1nnc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001290824269 1062718645 /nfs/dbraw/zinc/71/86/45/1062718645.db2.gz UPGFTMQAUXUWSY-QUCCMNQESA-N 1 2 485.633 2.996 20 0 JFADLO CC(C)c1noc([C@@H](C)N2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C)[NH+]3CCOCC3)CC2)n1 ZINC001287232643 1062724407 /nfs/dbraw/zinc/72/44/07/1062724407.db2.gz VMSVKGFSQBVVDU-RTBURBONSA-N 1 2 474.654 2.686 20 0 JFADLO Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccccc1OCC(F)(F)F ZINC001290857615 1062741704 /nfs/dbraw/zinc/74/17/04/1062741704.db2.gz NWOJDXOVNIPCCN-QGZVFWFLSA-N 1 2 480.535 2.709 20 0 JFADLO Cc1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001290858973 1062743351 /nfs/dbraw/zinc/74/33/51/1062743351.db2.gz YDLWVHHQWIFUDA-XLIONFOSSA-N 1 2 452.525 2.733 20 0 JFADLO Cc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCc1ccc(F)cc1Cl ZINC001290875799 1062760606 /nfs/dbraw/zinc/76/06/06/1062760606.db2.gz GEFURLPMSZOOEI-OAQYLSRUSA-N 1 2 465.017 2.853 20 0 JFADLO CCCO[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2c2cc(NC)[nH+]cn2)CC1 ZINC001294986621 1062774551 /nfs/dbraw/zinc/77/45/51/1062774551.db2.gz IAVVIEXOUWNRFZ-UXHICEINSA-N 1 2 499.664 2.703 20 0 JFADLO CCCO[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2c2cc(NC)nc[nH+]2)CC1 ZINC001294986621 1062774578 /nfs/dbraw/zinc/77/45/78/1062774578.db2.gz IAVVIEXOUWNRFZ-UXHICEINSA-N 1 2 499.664 2.703 20 0 JFADLO CCCO[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001294986768 1062774642 /nfs/dbraw/zinc/77/46/42/1062774642.db2.gz JHNRKBBTZKTJOR-HXUWFJFHSA-N 1 2 485.633 2.822 20 0 JFADLO CCCO[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001294986768 1062774660 /nfs/dbraw/zinc/77/46/60/1062774660.db2.gz JHNRKBBTZKTJOR-HXUWFJFHSA-N 1 2 485.633 2.822 20 0 JFADLO CCCS(=O)(=O)NC1CCN(c2nnc(C3CCCC3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001295015158 1062807583 /nfs/dbraw/zinc/80/75/83/1062807583.db2.gz NIXBWYFYYOGMCV-UHFFFAOYSA-N 1 2 462.620 2.686 20 0 JFADLO C[C@H](C(=O)NC1CCN(C(=O)c2ccccc2F)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001290942989 1062816210 /nfs/dbraw/zinc/81/62/10/1062816210.db2.gz MTAZATNVRRPWON-GOSISDBHSA-N 1 2 456.537 2.896 20 0 JFADLO CC(C)Cc1nnc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1C[C@]1(C)CN(C)C1=O ZINC001287359096 1062828115 /nfs/dbraw/zinc/82/81/15/1062828115.db2.gz DHOYQHRETQHKFD-MBSDFSHPSA-N 1 2 460.648 2.526 20 0 JFADLO CC(C)Cc1nnc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001287395287 1062840592 /nfs/dbraw/zinc/84/05/92/1062840592.db2.gz AKEUOWGYZYGHML-RTWAWAEBSA-N 1 2 460.667 2.672 20 0 JFADLO CC(C)Cc1nnc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001287395287 1062840626 /nfs/dbraw/zinc/84/06/26/1062840626.db2.gz AKEUOWGYZYGHML-RTWAWAEBSA-N 1 2 460.667 2.672 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc([C@@H]4CCCCO4)n3CCN(C)CC(F)(F)F)CC2)on1 ZINC001290970031 1062844109 /nfs/dbraw/zinc/84/41/09/1062844109.db2.gz NYYZREQLEFFGMR-SFHVURJKSA-N 1 2 471.528 2.632 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3CC[C@H](N3CCOCC3)C(F)(F)F)CC2)on1 ZINC001290970443 1062844770 /nfs/dbraw/zinc/84/47/70/1062844770.db2.gz ROZFHYZAZPRPTM-IBGZPJMESA-N 1 2 499.582 2.847 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc(-c4ccc[nH]4)n3C[C@@H](C)NC(=O)OC(C)(C)C)CC2)on1 ZINC001290970469 1062845223 /nfs/dbraw/zinc/84/52/23/1062845223.db2.gz SKCDXGAVLNMWKW-QGZVFWFLSA-N 1 2 470.578 2.805 20 0 JFADLO CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC001287403287 1062846127 /nfs/dbraw/zinc/84/61/27/1062846127.db2.gz FXPKVZITXJGAHN-FQEVSTJZSA-N 1 2 454.596 2.955 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc(Cc4ccsc4)n3CCNC(=O)C(C)(C)C)CC2)on1 ZINC001290970996 1062846925 /nfs/dbraw/zinc/84/69/25/1062846925.db2.gz ZBAJUZUIKPLDTM-UHFFFAOYSA-N 1 2 471.631 2.711 20 0 JFADLO CC(C)Cc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001287413337 1062852154 /nfs/dbraw/zinc/85/21/54/1062852154.db2.gz HNBGCCWOLKHPON-FQEVSTJZSA-N 1 2 498.644 2.918 20 0 JFADLO COc1ccc([C@H]2[C@H](C(=O)N3CC[NH+](Cc4cccc(OC)c4)CC3)CCC(=O)N2C)cc1 ZINC001287441260 1062872695 /nfs/dbraw/zinc/87/26/95/1062872695.db2.gz RACAXWVBOGABSH-NOZRDPDXSA-N 1 2 451.567 2.958 20 0 JFADLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CCN(C(=O)COc3cc(C)cc(C)c3)CC2)cc1 ZINC001295061188 1062873019 /nfs/dbraw/zinc/87/30/19/1062873019.db2.gz QKIDCXVRFHJPCR-XMMPIXPASA-N 1 2 451.567 2.636 20 0 JFADLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CCN(C(=O)COc3cc(C)cc(C)c3)CC2)cc1 ZINC001295061188 1062873039 /nfs/dbraw/zinc/87/30/39/1062873039.db2.gz QKIDCXVRFHJPCR-XMMPIXPASA-N 1 2 451.567 2.636 20 0 JFADLO CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001287442372 1062875741 /nfs/dbraw/zinc/87/57/41/1062875741.db2.gz HXRKDNBQHQCLHL-UXHICEINSA-N 1 2 464.655 2.938 20 0 JFADLO CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001287442372 1062875761 /nfs/dbraw/zinc/87/57/61/1062875761.db2.gz HXRKDNBQHQCLHL-UXHICEINSA-N 1 2 464.655 2.938 20 0 JFADLO CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001287443598 1062878325 /nfs/dbraw/zinc/87/83/25/1062878325.db2.gz WUIOPDBYMSIAIJ-WOJBJXKFSA-N 1 2 464.655 2.938 20 0 JFADLO CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001287443596 1062878498 /nfs/dbraw/zinc/87/84/98/1062878498.db2.gz WUIOPDBYMSIAIJ-VQTJNVASSA-N 1 2 464.655 2.938 20 0 JFADLO CCN(C)C(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001295068601 1062889265 /nfs/dbraw/zinc/88/92/65/1062889265.db2.gz ZMAMCTKLSHRCPH-IBGZPJMESA-N 1 2 474.053 2.682 20 0 JFADLO CC(C)Cc1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001287454377 1062889637 /nfs/dbraw/zinc/88/96/37/1062889637.db2.gz PPSAUUJGMFFAHZ-FPOVZHCZSA-N 1 2 490.674 2.549 20 0 JFADLO CC(C)Cc1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001287455220 1062891382 /nfs/dbraw/zinc/89/13/82/1062891382.db2.gz ZNDJJRTVTOIVIF-FQEVSTJZSA-N 1 2 472.609 2.689 20 0 JFADLO CC(C)Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@](C)(O)c1ccccc1 ZINC001287465821 1062913512 /nfs/dbraw/zinc/91/35/12/1062913512.db2.gz PRSKWRSENSETBT-RLWLMLJZSA-N 1 2 468.646 2.517 20 0 JFADLO CC(C)Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCOc1ncccc1Cl ZINC001287465973 1062913664 /nfs/dbraw/zinc/91/36/64/1062913664.db2.gz QZOFDRJXKWHCLT-IBGZPJMESA-N 1 2 490.052 2.737 20 0 JFADLO CC(C)Cc1nnc(N2CCN([C@H](C)c3nc(C(C)C)no3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001287468686 1062915310 /nfs/dbraw/zinc/91/53/10/1062915310.db2.gz HQWRPYBTRAYAMF-WOJBJXKFSA-N 1 2 474.654 2.587 20 0 JFADLO CC(C)Cc1nnc(N2CCN([C@H](C)c3nc(C(C)C)no3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001287468686 1062915332 /nfs/dbraw/zinc/91/53/32/1062915332.db2.gz HQWRPYBTRAYAMF-WOJBJXKFSA-N 1 2 474.654 2.587 20 0 JFADLO CC(C)Cc1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001287476061 1062927194 /nfs/dbraw/zinc/92/71/94/1062927194.db2.gz BRMYCPPWMLJACO-UHFFFAOYSA-N 1 2 482.677 2.511 20 0 JFADLO CC(C)Cc1nnc(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)n1CCCNc1cccc[nH+]1 ZINC001287486241 1062942833 /nfs/dbraw/zinc/94/28/33/1062942833.db2.gz JIDWVCQQSVSZJS-FQEVSTJZSA-N 1 2 454.623 2.956 20 0 JFADLO CC(C)CC[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001287526553 1062963800 /nfs/dbraw/zinc/96/38/00/1062963800.db2.gz SUCLGAIBNRCZCK-RUZDIDTESA-N 1 2 478.601 2.834 20 0 JFADLO CC(C)NC(=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001291042717 1062971755 /nfs/dbraw/zinc/97/17/55/1062971755.db2.gz SOBTYQHFNIMWLV-WOJBJXKFSA-N 1 2 454.619 2.922 20 0 JFADLO CC(C)CCCn1c([C@H]2CCCOC2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001287567549 1062989048 /nfs/dbraw/zinc/98/90/48/1062989048.db2.gz RDGBFLVQOGGQCY-XZOQPEGZSA-N 1 2 462.683 2.840 20 0 JFADLO CCN(c1nnc(-c2ccccc2F)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295180994 1063004377 /nfs/dbraw/zinc/00/43/77/1063004377.db2.gz UXGODDUKSSCYRE-FHWLQOOXSA-N 1 2 479.622 2.597 20 0 JFADLO CC(C)C(=O)NCCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)CC[NH+]1CCOCC1 ZINC001291065351 1063009763 /nfs/dbraw/zinc/00/97/63/1063009763.db2.gz ZTWMRVORUAJANL-SFHVURJKSA-N 1 2 474.675 2.672 20 0 JFADLO CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC[C@@H]1C)C(C)C ZINC001295220371 1063039808 /nfs/dbraw/zinc/03/98/08/1063039808.db2.gz XQJXXPQAUWXLAY-RBUKOAKNSA-N 1 2 466.627 2.542 20 0 JFADLO CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC[C@@H]1C)C(C)C ZINC001295220371 1063039831 /nfs/dbraw/zinc/03/98/31/1063039831.db2.gz XQJXXPQAUWXLAY-RBUKOAKNSA-N 1 2 466.627 2.542 20 0 JFADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C)C2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001291110779 1063108402 /nfs/dbraw/zinc/10/84/02/1063108402.db2.gz JXYBOZUUFPGEQF-RKVPGOIHSA-N 1 2 470.590 2.706 20 0 JFADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C)C2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001291110780 1063109599 /nfs/dbraw/zinc/10/95/99/1063109599.db2.gz JXYBOZUUFPGEQF-RVKKMQEKSA-N 1 2 470.590 2.706 20 0 JFADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC(C)(C)COc1ncccc1C(F)(F)F ZINC001295279251 1063120447 /nfs/dbraw/zinc/12/04/47/1063120447.db2.gz SXFWVUJGDGBGHH-INIZCTEOSA-N 1 2 455.481 2.871 20 0 JFADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC(C)(C)COc1ncccc1C(F)(F)F ZINC001295279251 1063120462 /nfs/dbraw/zinc/12/04/62/1063120462.db2.gz SXFWVUJGDGBGHH-INIZCTEOSA-N 1 2 455.481 2.871 20 0 JFADLO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(C)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001295292121 1063138927 /nfs/dbraw/zinc/13/89/27/1063138927.db2.gz JRTNTCKIWATONV-SFTDATJTSA-N 1 2 450.591 2.956 20 0 JFADLO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(C)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001295292121 1063138934 /nfs/dbraw/zinc/13/89/34/1063138934.db2.gz JRTNTCKIWATONV-SFTDATJTSA-N 1 2 450.591 2.956 20 0 JFADLO CC1CCN(c2ccc(Cn3c(CC(C)(C)C)nnc3N(C)CC(=O)N3CCOCC3)c[nH+]2)CC1 ZINC001291145341 1063228651 /nfs/dbraw/zinc/22/86/51/1063228651.db2.gz GCQWFUJZFGMBMP-UHFFFAOYSA-N 1 2 483.661 2.841 20 0 JFADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCC(F)F)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001291146002 1063230168 /nfs/dbraw/zinc/23/01/68/1063230168.db2.gz UQYHNUKBRYAXFI-INIZCTEOSA-N 1 2 485.605 2.659 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC2CC(F)(F)C2)CC1 ZINC001295334730 1063243308 /nfs/dbraw/zinc/24/33/08/1063243308.db2.gz FPVLNWUELHFCJH-UHFFFAOYSA-N 1 2 476.572 2.989 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccn3C)n2Cc2cscc2C)CC1 ZINC001295335921 1063254839 /nfs/dbraw/zinc/25/48/39/1063254839.db2.gz IBOPFJPUGILGME-UHFFFAOYSA-N 1 2 455.632 2.692 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ccoc2)CC1 ZINC001295336191 1063256363 /nfs/dbraw/zinc/25/63/63/1063256363.db2.gz NXHPXMCSCHCHJU-UHFFFAOYSA-N 1 2 482.585 2.594 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCc2nccnc2C)CC1 ZINC001295336163 1063256707 /nfs/dbraw/zinc/25/67/07/1063256707.db2.gz NJQQQYAXPKBCII-UHFFFAOYSA-N 1 2 497.047 2.930 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2CCC(=O)Nc2ccccc2)CC1 ZINC001295336219 1063257185 /nfs/dbraw/zinc/25/71/85/1063257185.db2.gz OCGQSZIRIJTDIV-UHFFFAOYSA-N 1 2 493.612 2.866 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(C)COC2)CC1 ZINC001295336197 1063257371 /nfs/dbraw/zinc/25/73/71/1063257371.db2.gz NYKGBHXCIGYFBG-UHFFFAOYSA-N 1 2 491.036 2.634 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccn3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 ZINC001295336612 1063258827 /nfs/dbraw/zinc/25/88/27/1063258827.db2.gz SODGPCBFYSUYSK-GMAHTHKFSA-N 1 2 483.661 2.926 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@@](C)(O)CC)CC1 ZINC001295337323 1063262744 /nfs/dbraw/zinc/26/27/44/1063262744.db2.gz FBWXOVZBRUAHIB-SANMLTNESA-N 1 2 481.645 2.588 20 0 JFADLO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001291189501 1063310411 /nfs/dbraw/zinc/31/04/11/1063310411.db2.gz BYXNNOKOSPOIPE-HNNXBMFYSA-N 1 2 471.512 2.723 20 0 JFADLO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001291194679 1063328490 /nfs/dbraw/zinc/32/84/90/1063328490.db2.gz BRKWORNWUJWIMG-IRXDYDNUSA-N 1 2 484.004 2.967 20 0 JFADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001291195404 1063333615 /nfs/dbraw/zinc/33/36/15/1063333615.db2.gz QMNHLGYKZJBWIA-RBUKOAKNSA-N 1 2 490.674 2.549 20 0 JFADLO C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)CCCO1 ZINC001291199406 1063352826 /nfs/dbraw/zinc/35/28/26/1063352826.db2.gz MTLWRQJQFSQTEQ-SFHVURJKSA-N 1 2 491.036 2.588 20 0 JFADLO C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@H+]2CCOC(C)(C)C2)CCCO1 ZINC001291199406 1063352844 /nfs/dbraw/zinc/35/28/44/1063352844.db2.gz MTLWRQJQFSQTEQ-SFHVURJKSA-N 1 2 491.036 2.588 20 0 JFADLO COc1cccc(OCC[NH+]2CCN(C(=O)[C@H]3CCN(c4cc(C)cc(C)c4)C3=O)CC2)c1 ZINC001295386596 1063362796 /nfs/dbraw/zinc/36/27/96/1063362796.db2.gz VGWKUDAQXPNLKW-XMMPIXPASA-N 1 2 451.567 2.888 20 0 JFADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1CCc1cn2ccccc2[nH+]1 ZINC001291207558 1063375535 /nfs/dbraw/zinc/37/55/35/1063375535.db2.gz LYOJOOFLTVXNAT-DLBZAZTESA-N 1 2 459.620 2.651 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCS(=O)CC2)c[nH+]1 ZINC001295411137 1063406611 /nfs/dbraw/zinc/40/66/11/1063406611.db2.gz PZSPCHWFNXAOEZ-UHFFFAOYSA-N 1 2 492.447 2.894 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)c[nH+]1 ZINC001295411508 1063407621 /nfs/dbraw/zinc/40/76/21/1063407621.db2.gz UPWMFFKQXZGMTA-BBWFWOEESA-N 1 2 499.632 2.905 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3cccnc3)nnc2N2CCC(S(C)(=O)=O)CC2)c[nH+]1 ZINC001295412951 1063411378 /nfs/dbraw/zinc/41/13/78/1063411378.db2.gz ITSOREYWJPMGME-UHFFFAOYSA-N 1 2 469.615 2.643 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3cccc(OC)c3)nnc2N2CCC(C(N)=O)CC2)c[nH+]1 ZINC001295413759 1063413425 /nfs/dbraw/zinc/41/34/25/1063413425.db2.gz QWEZUJMSXKXGHZ-UHFFFAOYSA-N 1 2 463.586 2.945 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)CC2COC(C)(C)OC2)c[nH+]1 ZINC001295416094 1063420377 /nfs/dbraw/zinc/42/03/77/1063420377.db2.gz WLYDSLQFVCZRJI-UHFFFAOYSA-N 1 2 468.606 2.803 20 0 JFADLO CCN(CC)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCc3nn(C)c(=O)cc3C2)c[nH+]1 ZINC001295418210 1063423690 /nfs/dbraw/zinc/42/36/90/1063423690.db2.gz BZKVNOXEBOMDFH-UHFFFAOYSA-N 1 2 464.618 2.813 20 0 JFADLO CCN(CC)c1ccc(Cn2c(Cc3ccccn3)nnc2N2CC[C@](C)(C(=O)NC)C2)c[nH+]1 ZINC001295418703 1063425959 /nfs/dbraw/zinc/42/59/59/1063425959.db2.gz FIWQFENPWYYXCG-VWLOTQADSA-N 1 2 462.602 2.516 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCOC(C)(C)C)c[nH+]1 ZINC001295419877 1063430584 /nfs/dbraw/zinc/43/05/84/1063430584.db2.gz KJSGTBSNIDJGRK-LJQANCHMSA-N 1 2 478.663 2.721 20 0 JFADLO CCN(CC)c1ccc(Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@H](C(N)=O)C2)c[nH+]1 ZINC001295420690 1063434882 /nfs/dbraw/zinc/43/48/82/1063434882.db2.gz WNTZXZYJNIYLGQ-FQEVSTJZSA-N 1 2 465.577 2.999 20 0 JFADLO CCc1nc(C(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)nn1-c1c(Cl)cccc1Cl ZINC001295430540 1063440750 /nfs/dbraw/zinc/44/07/50/1063440750.db2.gz SUNQBJYSCRYMHR-OAHLLOKOSA-N 1 2 452.342 2.646 20 0 JFADLO C[C@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC(=O)N1C ZINC001291263886 1063562499 /nfs/dbraw/zinc/56/24/99/1063562499.db2.gz SMDAGPILGITCEB-OXJNMPFZSA-N 1 2 469.540 2.512 20 0 JFADLO CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001295609258 1063659286 /nfs/dbraw/zinc/65/92/86/1063659286.db2.gz KMGNPWFSHJXLSX-DEOSSOPVSA-N 1 2 472.659 2.651 20 0 JFADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(Cc2c(F)cccc2F)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291292267 1063675923 /nfs/dbraw/zinc/67/59/23/1063675923.db2.gz BORHPBPPZVBBJD-RCCFBDPRSA-N 1 2 499.628 2.516 20 0 JFADLO CCN(Cc1cnn(C)c1)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001295650976 1063694096 /nfs/dbraw/zinc/69/40/96/1063694096.db2.gz TXEQPXJLCWEIKZ-DEOSSOPVSA-N 1 2 468.606 2.588 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC=CCC1 ZINC001291308061 1063727514 /nfs/dbraw/zinc/72/75/14/1063727514.db2.gz GOWPGBYUQTUCAO-PMACEKPBSA-N 1 2 460.623 2.880 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC=CCC1 ZINC001291308061 1063727531 /nfs/dbraw/zinc/72/75/31/1063727531.db2.gz GOWPGBYUQTUCAO-PMACEKPBSA-N 1 2 460.623 2.880 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(C2CCC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001291308210 1063727923 /nfs/dbraw/zinc/72/79/23/1063727923.db2.gz JRNBUEYELRYCCZ-RTBURBONSA-N 1 2 462.639 2.960 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(C2CCC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001291308210 1063727932 /nfs/dbraw/zinc/72/79/32/1063727932.db2.gz JRNBUEYELRYCCZ-RTBURBONSA-N 1 2 462.639 2.960 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(Cc2ccccn2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001291308477 1063729660 /nfs/dbraw/zinc/72/96/60/1063729660.db2.gz NWPDDXLURZIZNE-VGOFRKELSA-N 1 2 482.551 2.514 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(Cc2ccccn2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001291308477 1063729675 /nfs/dbraw/zinc/72/96/75/1063729675.db2.gz NWPDDXLURZIZNE-VGOFRKELSA-N 1 2 482.551 2.514 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001291308588 1063730180 /nfs/dbraw/zinc/73/01/80/1063730180.db2.gz PSNKHHIVZDUGTO-IRLDBZIGSA-N 1 2 499.660 2.726 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001291308588 1063730196 /nfs/dbraw/zinc/73/01/96/1063730196.db2.gz PSNKHHIVZDUGTO-IRLDBZIGSA-N 1 2 499.660 2.726 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(Cc2ccccc2F)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001291308574 1063730442 /nfs/dbraw/zinc/73/04/42/1063730442.db2.gz PIBRFDACUISLDB-UYAOXDASSA-N 1 2 488.608 2.832 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(Cc2ccccc2F)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001291308574 1063730453 /nfs/dbraw/zinc/73/04/53/1063730453.db2.gz PIBRFDACUISLDB-UYAOXDASSA-N 1 2 488.608 2.832 20 0 JFADLO CCN(CC1CCC1)c1nnc(COc2ccc(C)cc2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001295711392 1063730783 /nfs/dbraw/zinc/73/07/83/1063730783.db2.gz IAPTXBHNWMXHNA-UHFFFAOYSA-N 1 2 454.619 2.956 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CCCOC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001291308687 1063731910 /nfs/dbraw/zinc/73/19/10/1063731910.db2.gz QVCURAXEKIWTBH-PZJWPPBQSA-N 1 2 492.665 2.634 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CCCOC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001291308687 1063731924 /nfs/dbraw/zinc/73/19/24/1063731924.db2.gz QVCURAXEKIWTBH-PZJWPPBQSA-N 1 2 492.665 2.634 20 0 JFADLO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CC2CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001291309285 1063734064 /nfs/dbraw/zinc/73/40/64/1063734064.db2.gz CQDLHJCUOALNMW-VQTJNVASSA-N 1 2 454.619 2.607 20 0 JFADLO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CC2CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001291309285 1063734076 /nfs/dbraw/zinc/73/40/76/1063734076.db2.gz CQDLHJCUOALNMW-VQTJNVASSA-N 1 2 454.619 2.607 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(N2CCC(Oc3cncc(Cl)n3)CC2)nnc1C(C)(C)C ZINC001291309293 1063734177 /nfs/dbraw/zinc/73/41/77/1063734177.db2.gz CTEZDYVPIMCQCD-INIZCTEOSA-N 1 2 464.014 2.788 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(N2CCC(Oc3cncc(Cl)n3)CC2)nnc1C(C)(C)C ZINC001291309293 1063734187 /nfs/dbraw/zinc/73/41/87/1063734187.db2.gz CTEZDYVPIMCQCD-INIZCTEOSA-N 1 2 464.014 2.788 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001291309347 1063734735 /nfs/dbraw/zinc/73/47/35/1063734735.db2.gz FAAQOQFQDNWWBE-GOSISDBHSA-N 1 2 490.674 2.774 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001291309347 1063734748 /nfs/dbraw/zinc/73/47/48/1063734748.db2.gz FAAQOQFQDNWWBE-GOSISDBHSA-N 1 2 490.674 2.774 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(CCc2ccccc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001291309719 1063736022 /nfs/dbraw/zinc/73/60/22/1063736022.db2.gz LWHGZRTWEUYNGI-IFMALSPDSA-N 1 2 484.645 2.887 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(CCc2ccccc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001291309719 1063736038 /nfs/dbraw/zinc/73/60/38/1063736038.db2.gz LWHGZRTWEUYNGI-IFMALSPDSA-N 1 2 484.645 2.887 20 0 JFADLO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(C(C)(C)C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001291309757 1063736071 /nfs/dbraw/zinc/73/60/71/1063736071.db2.gz MKAWAXITZZSSSF-PMACEKPBSA-N 1 2 456.635 2.952 20 0 JFADLO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(C(C)(C)C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001291309757 1063736087 /nfs/dbraw/zinc/73/60/87/1063736087.db2.gz MKAWAXITZZSSSF-PMACEKPBSA-N 1 2 456.635 2.952 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(CCOc2ccccc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001291310259 1063739632 /nfs/dbraw/zinc/73/96/32/1063739632.db2.gz WZQMTSMXPAQFJW-GOSISDBHSA-N 1 2 483.535 2.514 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(CCOc2ccccc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001291310259 1063739639 /nfs/dbraw/zinc/73/96/39/1063739639.db2.gz WZQMTSMXPAQFJW-GOSISDBHSA-N 1 2 483.535 2.514 20 0 JFADLO C[C@@H]1CSCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001291312823 1063744321 /nfs/dbraw/zinc/74/43/21/1063744321.db2.gz XKXSXGCAJCNIJG-COXVUDFISA-N 1 2 450.559 2.752 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc([C@H]2CCOC2)n1CC[S@](=O)CC ZINC001295747400 1063752031 /nfs/dbraw/zinc/75/20/31/1063752031.db2.gz ARGQDSHQLXJJEV-MQFAKOPTSA-N 1 2 460.648 2.689 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@@H]1C ZINC001295749551 1063756532 /nfs/dbraw/zinc/75/65/32/1063756532.db2.gz RUJMAEHNCGTOOI-BJLQDIEVSA-N 1 2 475.663 2.682 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(-c2ccccc2C)n1CCS(=O)(=O)NC ZINC001295750798 1063757415 /nfs/dbraw/zinc/75/74/15/1063757415.db2.gz WHFDRFAEMUMMNU-UHFFFAOYSA-N 1 2 497.669 2.941 20 0 JFADLO CCN(CCc1cccs1)c1nnc(C(=O)NC(C)C)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001295782584 1063786604 /nfs/dbraw/zinc/78/66/04/1063786604.db2.gz QBZWGXDQAHOXLP-QHCPKHFHSA-N 1 2 492.715 2.755 20 0 JFADLO CCN(CCc1cccs1)c1nnc(C(=O)NC(C)C)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001295782583 1063786666 /nfs/dbraw/zinc/78/66/66/1063786666.db2.gz QBZWGXDQAHOXLP-HSZRJFAPSA-N 1 2 492.715 2.755 20 0 JFADLO CCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccccc3CC)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001291348057 1063852132 /nfs/dbraw/zinc/85/21/32/1063852132.db2.gz ZJHYFVCZXJHWEJ-IFMALSPDSA-N 1 2 484.645 2.635 20 0 JFADLO CCC(=O)N[C@H]1CCCN(c2nnc(COc3ccccc3CC)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001291348060 1063852541 /nfs/dbraw/zinc/85/25/41/1063852541.db2.gz ZJHYFVCZXJHWEJ-UNMCSNQZSA-N 1 2 484.645 2.635 20 0 JFADLO CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001291354391 1063860201 /nfs/dbraw/zinc/86/02/01/1063860201.db2.gz MOUCYTADEUKEKC-KRWDZBQOSA-N 1 2 495.612 2.707 20 0 JFADLO CCN(c1nnc([C@@H]2CCCCO2)n1CC[N@H+](CC)CCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC001295848017 1063871498 /nfs/dbraw/zinc/87/14/98/1063871498.db2.gz GDSXFJRZCGMFFW-SJORKVTESA-N 1 2 481.585 2.807 20 0 JFADLO CCN(c1nnc([C@@H]2CCCCO2)n1CC[N@@H+](CC)CCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC001295848017 1063871510 /nfs/dbraw/zinc/87/15/10/1063871510.db2.gz GDSXFJRZCGMFFW-SJORKVTESA-N 1 2 481.585 2.807 20 0 JFADLO CC[C@@](C)(O)Cn1c(N2CCc3c(cc[nH+]c3N(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001291380301 1063916613 /nfs/dbraw/zinc/91/66/13/1063916613.db2.gz OIQVZKYYKGQBOE-RPWUZVMVSA-N 1 2 458.607 2.503 20 0 JFADLO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001295877569 1063918546 /nfs/dbraw/zinc/91/85/46/1063918546.db2.gz ITFYBEPUHCVZJS-GOSISDBHSA-N 1 2 491.639 2.909 20 0 JFADLO CC[C@H](C)[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001291382116 1063922598 /nfs/dbraw/zinc/92/25/98/1063922598.db2.gz RYBUSMPRGBDVPF-SIBVEZHUSA-N 1 2 498.676 2.860 20 0 JFADLO CCN(CCS(C)(=O)=O)c1nnc(Cc2ccccn2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001295886322 1063933412 /nfs/dbraw/zinc/93/34/12/1063933412.db2.gz PRHQGOLIZBHAJR-UHFFFAOYSA-N 1 2 483.573 2.508 20 0 JFADLO CC[C@H](C)[C@](C)(O)Cn1c(-c2cccnc2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001291391821 1063942761 /nfs/dbraw/zinc/94/27/61/1063942761.db2.gz OWUQEIAPKDCMKZ-ISJBWFOZSA-N 1 2 483.661 2.660 20 0 JFADLO CC[C@H](C)[C@](C)(O)Cn1c(Cc2ccsc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001291402284 1063965105 /nfs/dbraw/zinc/96/51/05/1063965105.db2.gz VTNGYOVYDVDLCQ-ZYLNGJIFSA-N 1 2 488.702 2.860 20 0 JFADLO CC[C@@H](C)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)OC ZINC001291421826 1064002219 /nfs/dbraw/zinc/00/22/19/1064002219.db2.gz PYGWDICAJUYMPZ-WIYYLYMNSA-N 1 2 450.591 2.750 20 0 JFADLO CCn1cnnc1Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CC[NH+]1CCOCC1 ZINC001295959628 1064009096 /nfs/dbraw/zinc/00/90/96/1064009096.db2.gz JGNLQGQBWHMJSX-UHFFFAOYSA-N 1 2 465.389 2.680 20 0 JFADLO CC(C)(C)OC(=O)N[C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N1CCC(CCO)CC1 ZINC001295971885 1064018298 /nfs/dbraw/zinc/01/82/98/1064018298.db2.gz JBTKUIMWCOKPSK-QFIPXVFZSA-N 1 2 456.587 2.988 20 0 JFADLO CC[C@@H](C)c1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001291456882 1064022996 /nfs/dbraw/zinc/02/29/96/1064022996.db2.gz ZNSYQWGETWTWAJ-FGZHOGPDSA-N 1 2 488.702 2.875 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001291482182 1064036764 /nfs/dbraw/zinc/03/67/64/1064036764.db2.gz JRVRWZCPEDQBLY-HKBOAZHASA-N 1 2 460.667 2.987 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001291482182 1064036773 /nfs/dbraw/zinc/03/67/73/1064036773.db2.gz JRVRWZCPEDQBLY-HKBOAZHASA-N 1 2 460.667 2.987 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001291482184 1064037135 /nfs/dbraw/zinc/03/71/35/1064037135.db2.gz JRVRWZCPEDQBLY-QHAWAJNXSA-N 1 2 460.667 2.987 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001291482184 1064037148 /nfs/dbraw/zinc/03/71/48/1064037148.db2.gz JRVRWZCPEDQBLY-QHAWAJNXSA-N 1 2 460.667 2.987 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291484334 1064040985 /nfs/dbraw/zinc/04/09/85/1064040985.db2.gz XNCKWEBSQKYTQY-HXUWFJFHSA-N 1 2 496.660 2.514 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CCOC)CCCC2)C[C@@H]1C ZINC001295993247 1064048397 /nfs/dbraw/zinc/04/83/97/1064048397.db2.gz CHIVJNITOLDLMC-SLFFLAALSA-N 1 2 467.680 2.696 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CCOC)CCCC2)C[C@@H]1C ZINC001295993247 1064048400 /nfs/dbraw/zinc/04/84/00/1064048400.db2.gz CHIVJNITOLDLMC-SLFFLAALSA-N 1 2 467.680 2.696 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2ccc(OC)cc2)C[C@@H]1C ZINC001295997490 1064053747 /nfs/dbraw/zinc/05/37/47/1064053747.db2.gz QXGNNLSCIIOHJD-IRFCIJBXSA-N 1 2 475.659 2.741 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2ccc(OC)cc2)C[C@@H]1C ZINC001295997490 1064053756 /nfs/dbraw/zinc/05/37/56/1064053756.db2.gz QXGNNLSCIIOHJD-IRFCIJBXSA-N 1 2 475.659 2.741 20 0 JFADLO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3csc(C)n3)n2CC2(S(C)(=O)=O)CCCC2)C[C@@H]1C ZINC001296006288 1064060907 /nfs/dbraw/zinc/06/09/07/1064060907.db2.gz AIGONYFCKIPIDV-DLBZAZTESA-N 1 2 480.704 2.910 20 0 JFADLO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3csc(C)n3)n2CC2(S(C)(=O)=O)CCCC2)C[C@@H]1C ZINC001296006288 1064060910 /nfs/dbraw/zinc/06/09/10/1064060910.db2.gz AIGONYFCKIPIDV-DLBZAZTESA-N 1 2 480.704 2.910 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001296013991 1064075558 /nfs/dbraw/zinc/07/55/58/1064075558.db2.gz XHFBETGQWCKQCJ-QHAWAJNXSA-N 1 2 475.659 2.909 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001296013991 1064075568 /nfs/dbraw/zinc/07/55/68/1064075568.db2.gz XHFBETGQWCKQCJ-QHAWAJNXSA-N 1 2 475.659 2.909 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001291541942 1064084732 /nfs/dbraw/zinc/08/47/32/1064084732.db2.gz LCPBEQOQJBMHRI-FPOVZHCZSA-N 1 2 469.634 2.813 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCCO[C@H](c3ccccc3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291572289 1064098668 /nfs/dbraw/zinc/09/86/68/1064098668.db2.gz KCNZTGYCPRZMCZ-OFNKIYASSA-N 1 2 454.619 2.924 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1Cc1c[nH+]ccc1OC ZINC001291580488 1064107954 /nfs/dbraw/zinc/10/79/54/1064107954.db2.gz NOUVFCCOONZZLU-KRWDZBQOSA-N 1 2 450.543 2.912 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(C(=O)OC)[C@@H](C)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001291592999 1064127766 /nfs/dbraw/zinc/12/77/66/1064127766.db2.gz OFZJVFJUMVIDIW-ONTIZHBOSA-N 1 2 470.618 2.970 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(C(=O)OC)[C@@H](C)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001291592999 1064127771 /nfs/dbraw/zinc/12/77/71/1064127771.db2.gz OFZJVFJUMVIDIW-ONTIZHBOSA-N 1 2 470.618 2.970 20 0 JFADLO O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001291604525 1064140355 /nfs/dbraw/zinc/14/03/55/1064140355.db2.gz KYYKZUWOJWQNGZ-UHFFFAOYSA-N 1 2 453.568 2.710 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC001291607552 1064144460 /nfs/dbraw/zinc/14/44/60/1064144460.db2.gz IHJMUROMNMIBHS-UYAOXDASSA-N 1 2 465.577 2.997 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001291628785 1064171679 /nfs/dbraw/zinc/17/16/79/1064171679.db2.gz OZASKOGMNYKALS-UNMCSNQZSA-N 1 2 497.688 2.890 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCN(CC(F)F)CC2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001291630170 1064174920 /nfs/dbraw/zinc/17/49/20/1064174920.db2.gz MFIPETFZDPHFCG-QZTJIDSGSA-N 1 2 463.577 2.847 20 0 JFADLO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1CCS(=O)(=O)N(C)C ZINC001291630414 1064175878 /nfs/dbraw/zinc/17/58/78/1064175878.db2.gz SNRFZVXAVGFHQH-QGZVFWFLSA-N 1 2 469.055 2.659 20 0 JFADLO CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCCOC(F)(F)F ZINC001291639696 1064188025 /nfs/dbraw/zinc/18/80/25/1064188025.db2.gz OCCZRUCMYACDPO-RBUKOAKNSA-N 1 2 476.588 2.949 20 0 JFADLO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CC1(C)CCOCC1 ZINC001291640265 1064188590 /nfs/dbraw/zinc/18/85/90/1064188590.db2.gz QSCDNXQVLADJOF-YADHBBJMSA-N 1 2 462.683 2.840 20 0 JFADLO CC[C@H](C)CN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001291714214 1064224552 /nfs/dbraw/zinc/22/45/52/1064224552.db2.gz PEVWQIJODQEYIR-OALUTQOASA-N 1 2 467.618 2.878 20 0 JFADLO CC[C@H](C)CN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CC[N@H+]1CCOC[C@@H]1C ZINC001291714214 1064224561 /nfs/dbraw/zinc/22/45/61/1064224561.db2.gz PEVWQIJODQEYIR-OALUTQOASA-N 1 2 467.618 2.878 20 0 JFADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC001296132248 1064229358 /nfs/dbraw/zinc/22/93/58/1064229358.db2.gz ABJUMGUQSPGXAW-LGVFNWMJSA-N 1 2 486.661 2.753 20 0 JFADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC001296132250 1064229380 /nfs/dbraw/zinc/22/93/80/1064229380.db2.gz ABJUMGUQSPGXAW-YZUZCNPQSA-N 1 2 486.661 2.753 20 0 JFADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001296132553 1064230202 /nfs/dbraw/zinc/23/02/02/1064230202.db2.gz BKJUHQSIZZERMG-JOCHJYFZSA-N 1 2 497.688 2.605 20 0 JFADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2Nc2cnn(C)c2)CC1 ZINC001296133594 1064234095 /nfs/dbraw/zinc/23/40/95/1064234095.db2.gz JMNBAEJJOUCNMD-HXUWFJFHSA-N 1 2 452.607 2.977 20 0 JFADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC001296134342 1064235219 /nfs/dbraw/zinc/23/52/19/1064235219.db2.gz NMXQVLXPCSDZGP-LGVFNWMJSA-N 1 2 486.661 2.753 20 0 JFADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001296134785 1064237088 /nfs/dbraw/zinc/23/70/88/1064237088.db2.gz QIUPWIZVEXXFRY-YADHBBJMSA-N 1 2 456.635 2.807 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1C ZINC001296143243 1064252044 /nfs/dbraw/zinc/25/20/44/1064252044.db2.gz GWEFPOMCTRUKAG-PMACEKPBSA-N 1 2 488.658 2.502 20 0 JFADLO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1C ZINC001296143243 1064252054 /nfs/dbraw/zinc/25/20/54/1064252054.db2.gz GWEFPOMCTRUKAG-PMACEKPBSA-N 1 2 488.658 2.502 20 0 JFADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)c2cccc(OC)c2)C[C@@H]1C ZINC001296162201 1064275675 /nfs/dbraw/zinc/27/56/75/1064275675.db2.gz TZBNMLHLTYUFDO-RBUKOAKNSA-N 1 2 475.659 2.697 20 0 JFADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)c2cccc(OC)c2)C[C@@H]1C ZINC001296162201 1064275684 /nfs/dbraw/zinc/27/56/84/1064275684.db2.gz TZBNMLHLTYUFDO-RBUKOAKNSA-N 1 2 475.659 2.697 20 0 JFADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccccc2C(F)(F)F)C[C@H]1C ZINC001296163500 1064278295 /nfs/dbraw/zinc/27/82/95/1064278295.db2.gz XIBHVMPJLAANGQ-SJLPKXTDSA-N 1 2 485.576 2.972 20 0 JFADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccccc2C(F)(F)F)C[C@H]1C ZINC001296163500 1064278309 /nfs/dbraw/zinc/27/83/09/1064278309.db2.gz XIBHVMPJLAANGQ-SJLPKXTDSA-N 1 2 485.576 2.972 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1C ZINC001296163839 1064280074 /nfs/dbraw/zinc/28/00/74/1064280074.db2.gz YFPQDVVNWHFQHP-IRXDYDNUSA-N 1 2 467.586 2.502 20 0 JFADLO CC[N@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1C ZINC001296163839 1064280086 /nfs/dbraw/zinc/28/00/86/1064280086.db2.gz YFPQDVVNWHFQHP-IRXDYDNUSA-N 1 2 467.586 2.502 20 0 JFADLO Cc1nc(N2CCN(C(=O)c3ccc(OCC(=O)N4[C@H](C)CCC[C@H]4C)cc3)CC2)cc[nH+]1 ZINC001296200434 1064375856 /nfs/dbraw/zinc/37/58/56/1064375856.db2.gz SZYIRZFRDKRRHH-RTBURBONSA-N 1 2 451.571 2.916 20 0 JFADLO CC[C@H](C)NC(=O)CN1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC001291839519 1064432302 /nfs/dbraw/zinc/43/23/02/1064432302.db2.gz IDGNZMKYDIFMPC-QFIPXVFZSA-N 1 2 496.704 2.947 20 0 JFADLO CC[C@@H](c1nnc(N(C)CC[NH+]2CCOCC2)n1CC1CCN(C(C)=O)CC1)c1ccccc1 ZINC001291850301 1064455877 /nfs/dbraw/zinc/45/58/77/1064455877.db2.gz FGOHATAKSUCSMG-XMMPIXPASA-N 1 2 468.646 2.847 20 0 JFADLO CCNC(=O)C(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001296239444 1064485916 /nfs/dbraw/zinc/48/59/16/1064485916.db2.gz JGBCBEOZVIACTE-UHFFFAOYSA-N 1 2 482.658 2.898 20 0 JFADLO CC[C@H](c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCNS(=O)(=O)CC)c1ccccc1 ZINC001291878873 1064500628 /nfs/dbraw/zinc/50/06/28/1064500628.db2.gz ZROTUJNCVMWDPC-NRFANRHFSA-N 1 2 497.669 2.783 20 0 JFADLO CC[C@@H](c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@H](C)OC)c1ccccc1 ZINC001291886223 1064507329 /nfs/dbraw/zinc/50/73/29/1064507329.db2.gz AQOCZAJTJCNQGT-QNWVGRARSA-N 1 2 468.646 2.988 20 0 JFADLO CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1C(C)C)[NH+]1CCOCC1 ZINC001291968493 1064584169 /nfs/dbraw/zinc/58/41/69/1064584169.db2.gz PWQIAFNWYJKLLP-BDTNDASRSA-N 1 2 481.707 2.942 20 0 JFADLO CCC(CC)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1)[NH+]1CCOCC1 ZINC001291969454 1064585226 /nfs/dbraw/zinc/58/52/26/1064585226.db2.gz VEEYZOPRHWTYJN-XZOQPEGZSA-N 1 2 489.686 2.954 20 0 JFADLO CCC(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1)[NH+]1CCOCC1 ZINC001291969453 1064585297 /nfs/dbraw/zinc/58/52/97/1064585297.db2.gz VEEYZOPRHWTYJN-PKTZIBPZSA-N 1 2 489.686 2.954 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccco2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001292000518 1064619136 /nfs/dbraw/zinc/61/91/36/1064619136.db2.gz UNTSNPOHJNRFAZ-QHCPKHFHSA-N 1 2 476.647 2.634 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C3CC3)O[C@@H](C)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001292023377 1064670326 /nfs/dbraw/zinc/67/03/26/1064670326.db2.gz PPDNUBHVRJHUOV-NYVOZVTQSA-N 1 2 476.666 2.557 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@@H](C3CC3)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001292023378 1064670460 /nfs/dbraw/zinc/67/04/60/1064670460.db2.gz PPDNUBHVRJHUOV-VLCRHTCISA-N 1 2 476.666 2.557 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@@H](C3CC3)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001292023379 1064670512 /nfs/dbraw/zinc/67/05/12/1064670512.db2.gz PPDNUBHVRJHUOV-YUXAGFNASA-N 1 2 476.666 2.557 20 0 JFADLO COc1cc(/C=C\C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc(Br)c1O ZINC001292057900 1064727850 /nfs/dbraw/zinc/72/78/50/1064727850.db2.gz LPUTXUOVAZBXJJ-AXMVSILFSA-N 1 2 457.390 2.501 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@@H]1CC(F)(F)CO1 ZINC001292073809 1064752419 /nfs/dbraw/zinc/75/24/19/1064752419.db2.gz JCQBSWCKMHMPSN-KRWDZBQOSA-N 1 2 477.560 2.644 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCc3ccccc3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001292075239 1064754907 /nfs/dbraw/zinc/75/49/07/1064754907.db2.gz MJWSTBCYPPDHHX-UHFFFAOYSA-N 1 2 454.619 2.870 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCc3ccccc3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001292075239 1064754920 /nfs/dbraw/zinc/75/49/20/1064754920.db2.gz MJWSTBCYPPDHHX-UHFFFAOYSA-N 1 2 454.619 2.870 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CC[S@](=O)C(C)(C)C ZINC001292075514 1064755600 /nfs/dbraw/zinc/75/56/00/1064755600.db2.gz XYLBTXPWKYBSGV-UMSFTDKQSA-N 1 2 489.690 2.767 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCCN(CC)C(=O)C2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001292106307 1064802996 /nfs/dbraw/zinc/80/29/96/1064802996.db2.gz VLQZWLKUQUXLRA-UHFFFAOYSA-N 1 2 496.660 2.689 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CC(C)(C)SC ZINC001292122578 1064858242 /nfs/dbraw/zinc/85/82/42/1064858242.db2.gz UMRTVVIFOOLAAJ-UHFFFAOYSA-N 1 2 460.652 2.763 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCOC(C)(C)[C@H]2C)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001292138243 1064906340 /nfs/dbraw/zinc/90/63/40/1064906340.db2.gz XSMXLENAIXPFFH-RBUKOAKNSA-N 1 2 499.660 2.869 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1Cc1c[nH+]ccc1OC ZINC001292154552 1064935137 /nfs/dbraw/zinc/93/51/37/1064935137.db2.gz FJYBDGFHJRTGQZ-GKVSMKOHSA-N 1 2 499.616 2.752 20 0 JFADLO CC[C@@H](Cn1c(COc2cccc(C)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)OC ZINC001292252273 1065034871 /nfs/dbraw/zinc/03/48/71/1065034871.db2.gz PIVNVUOXTCIYSH-VXKWHMMOSA-N 1 2 484.645 2.723 20 0 JFADLO COc1ccc(CCC(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+]3Cc3ccc(OC)cc3)CC2)cc1 ZINC001292273142 1065050567 /nfs/dbraw/zinc/05/05/67/1065050567.db2.gz LWJUAFUPIBJVJB-DEOSSOPVSA-N 1 2 451.567 2.582 20 0 JFADLO COc1ccc(CCC(=O)N2CCN(C(=O)[C@@H]3CC[N@H+]3Cc3ccc(OC)cc3)CC2)cc1 ZINC001292273142 1065050577 /nfs/dbraw/zinc/05/05/77/1065050577.db2.gz LWJUAFUPIBJVJB-DEOSSOPVSA-N 1 2 451.567 2.582 20 0 JFADLO CCC(O)(CC)Cn1c(N2CCc3c(cc[nH+]c3N(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001292294020 1065066073 /nfs/dbraw/zinc/06/60/73/1065066073.db2.gz PBUOFZOADQHPFT-RUZDIDTESA-N 1 2 472.634 2.894 20 0 JFADLO C[C@@H](SCC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1nc2ccccc2[nH]1 ZINC001292374847 1065117876 /nfs/dbraw/zinc/11/78/76/1065117876.db2.gz UJSYWRQGKMWDCN-QGZVFWFLSA-N 1 2 452.584 2.607 20 0 JFADLO CCc1ccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2CCOc2ncccc2F)cc1 ZINC001292476281 1065200722 /nfs/dbraw/zinc/20/07/22/1065200722.db2.gz XXAWPSDSVHBIMC-UHFFFAOYSA-N 1 2 454.550 2.889 20 0 JFADLO O=C(Cn1cnc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)n1)NCc1ccccc1 ZINC001292504376 1065221931 /nfs/dbraw/zinc/22/19/31/1065221931.db2.gz REBNARYRJWOAAK-OAQYLSRUSA-N 1 2 450.518 2.727 20 0 JFADLO O=C(Cn1cnc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)n1)NCc1ccccc1 ZINC001292504376 1065221938 /nfs/dbraw/zinc/22/19/38/1065221938.db2.gz REBNARYRJWOAAK-OAQYLSRUSA-N 1 2 450.518 2.727 20 0 JFADLO CCCS(=O)(=O)Nc1cc(NC(=O)[C@]2([NH+](C)C)COc3ccccc3C2)c(F)cc1F ZINC001292528954 1065255081 /nfs/dbraw/zinc/25/50/81/1065255081.db2.gz VDOWCDDFRWARJP-OAQYLSRUSA-N 1 2 453.511 2.991 20 0 JFADLO CCc1ccccc1OCc1nnc(N2CC[NH+](C(C)C)CC2)n1CC1(CS(C)(=O)=O)CC1 ZINC001292610838 1065339694 /nfs/dbraw/zinc/33/96/94/1065339694.db2.gz VPZUSDLQZHXMNW-UHFFFAOYSA-N 1 2 475.659 2.775 20 0 JFADLO CCc1csc([C@H]2CCCN(c3nnc(C(C)C)n3CC[NH+]3CCN(C(C)=O)CC3)C2)n1 ZINC001292665303 1065400971 /nfs/dbraw/zinc/40/09/71/1065400971.db2.gz BWTVFKWUKCAQSG-IBGZPJMESA-N 1 2 459.664 2.969 20 0 JFADLO CCc1nc(C)c([C@H](C)N(C)c2nnc(Cc3ccccn3)n2CC[NH+]2CCN(C(C)=O)CC2)s1 ZINC001292680642 1065422017 /nfs/dbraw/zinc/42/20/17/1065422017.db2.gz VPNOZFRTMFWCJP-IBGZPJMESA-N 1 2 496.685 2.953 20 0 JFADLO CCc1nc(C)c(Cn2c(CC(C)C)nnc2N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)o1 ZINC001292688922 1065434712 /nfs/dbraw/zinc/43/47/12/1065434712.db2.gz VKGZRMCLGKTUID-IBGZPJMESA-N 1 2 457.623 2.517 20 0 JFADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C(F)(F)c3ccccc3C)cc2)CC1 ZINC001292706219 1065461555 /nfs/dbraw/zinc/46/15/55/1065461555.db2.gz GZMVUYJHWIOEGA-UHFFFAOYSA-N 1 2 459.537 2.989 20 0 JFADLO CC[C@@H](C)n1nc(C(=O)NCCc2ccc(OCC[NH+]3CCN(C(C)=O)CC3)cc2)cc1C ZINC001292707621 1065462685 /nfs/dbraw/zinc/46/26/85/1065462685.db2.gz YJBZWBZLEFESIL-LJQANCHMSA-N 1 2 455.603 2.678 20 0 JFADLO CCc1nc(Cn2c(N3CC[NH+]([C@H](C)C(=O)N4CCCC4)CC3)nnc2C(C)(C)C)cs1 ZINC001292748931 1065506618 /nfs/dbraw/zinc/50/66/18/1065506618.db2.gz DGOYTGUWWFWXFJ-QGZVFWFLSA-N 1 2 459.664 2.776 20 0 JFADLO Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)c1C ZINC001292831573 1065569992 /nfs/dbraw/zinc/56/99/92/1065569992.db2.gz UOEBDCATJOTCFO-PMACEKPBSA-N 1 2 457.600 2.640 20 0 JFADLO Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)c1C ZINC001292831573 1065570002 /nfs/dbraw/zinc/57/00/02/1065570002.db2.gz UOEBDCATJOTCFO-PMACEKPBSA-N 1 2 457.600 2.640 20 0 JFADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)Cc3c[nH]c4cccc(Br)c34)CC2)cc1 ZINC001292941980 1065626901 /nfs/dbraw/zinc/62/69/01/1065626901.db2.gz KLRRCHPOYPBWOH-UHFFFAOYSA-N 1 2 455.356 2.916 20 0 JFADLO Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC(C)(C)[NH+]3CCN(C)CC3)cc2)cc1C ZINC001292954744 1065633847 /nfs/dbraw/zinc/63/38/47/1065633847.db2.gz CRUBDRKMZRICLG-UHFFFAOYSA-N 1 2 458.628 2.860 20 0 JFADLO COc1ccc(-c2nc(C)c(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)s2)c(F)c1 ZINC001293021346 1065695443 /nfs/dbraw/zinc/69/54/43/1065695443.db2.gz FTZDNTVYRIFIJB-UHFFFAOYSA-N 1 2 455.577 2.505 20 0 JFADLO CCc1nnc(N2CCN(C(=O)C(C)C)CC2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001293078522 1065728343 /nfs/dbraw/zinc/72/83/43/1065728343.db2.gz NVKBKZDDZDRNQZ-JOCHJYFZSA-N 1 2 454.619 2.527 20 0 JFADLO CCc1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001293092621 1065740175 /nfs/dbraw/zinc/74/01/75/1065740175.db2.gz MIDSIHQPFHHPBK-QFIPXVFZSA-N 1 2 470.618 2.656 20 0 JFADLO CCc1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001293092621 1065740190 /nfs/dbraw/zinc/74/01/90/1065740190.db2.gz MIDSIHQPFHHPBK-QFIPXVFZSA-N 1 2 470.618 2.656 20 0 JFADLO CCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(CSC)cc1 ZINC001293094018 1065742996 /nfs/dbraw/zinc/74/29/96/1065742996.db2.gz KODIBOOXVKCXIT-IBGZPJMESA-N 1 2 456.660 2.885 20 0 JFADLO CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)s1 ZINC001293106467 1065753749 /nfs/dbraw/zinc/75/37/49/1065753749.db2.gz CPAOKJCDEBHURH-CQSZACIVSA-N 1 2 452.524 2.828 20 0 JFADLO CCc1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001293109562 1065755447 /nfs/dbraw/zinc/75/54/47/1065755447.db2.gz VDHZGMCPRRGAKI-UHFFFAOYSA-N 1 2 469.903 2.720 20 0 JFADLO CCc1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1Cc1ccc(C)n(C)c1=O ZINC001293138320 1065788499 /nfs/dbraw/zinc/78/84/99/1065788499.db2.gz UXZFMQCDOVVYPZ-UHFFFAOYSA-N 1 2 471.005 2.750 20 0 JFADLO CCc1nnc(N2CCO[C@H](c3ccccc3Br)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001293149674 1065793391 /nfs/dbraw/zinc/79/33/91/1065793391.db2.gz FYBHKECMEBDETL-LPHOPBHVSA-N 1 2 464.408 2.902 20 0 JFADLO CCc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001293161674 1065798799 /nfs/dbraw/zinc/79/87/99/1065798799.db2.gz RYXQQAISHAPQIA-MSOLQXFVSA-N 1 2 459.595 2.653 20 0 JFADLO CCc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001293161677 1065798824 /nfs/dbraw/zinc/79/88/24/1065798824.db2.gz RYXQQAISHAPQIA-ZWKOTPCHSA-N 1 2 459.595 2.653 20 0 JFADLO CCc1nnc(N2C[C@@H](CC3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001293177578 1065802250 /nfs/dbraw/zinc/80/22/50/1065802250.db2.gz KWYBBFZPUBUTAN-MISYRCLQSA-N 1 2 462.639 2.691 20 0 JFADLO CCc1nnc(N2C[C@@H](CC3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001293177577 1065802282 /nfs/dbraw/zinc/80/22/82/1065802282.db2.gz KWYBBFZPUBUTAN-DFQSSKMNSA-N 1 2 462.639 2.691 20 0 JFADLO COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC001293371812 1065974968 /nfs/dbraw/zinc/97/49/68/1065974968.db2.gz SGOBFSOVSDNROH-FGZHOGPDSA-N 1 2 450.539 2.852 20 0 JFADLO COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC001293371812 1065974978 /nfs/dbraw/zinc/97/49/78/1065974978.db2.gz SGOBFSOVSDNROH-FGZHOGPDSA-N 1 2 450.539 2.852 20 0 JFADLO CC[C@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001293400264 1065994524 /nfs/dbraw/zinc/99/45/24/1065994524.db2.gz JBJOLFZPRZQHOO-QFIPXVFZSA-N 1 2 454.619 2.690 20 0 JFADLO CC[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001293463070 1066016217 /nfs/dbraw/zinc/01/62/17/1066016217.db2.gz NBNKFMUPVYKWNA-TZIWHRDSSA-N 1 2 475.659 2.942 20 0 JFADLO CC[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001293463070 1066016228 /nfs/dbraw/zinc/01/62/28/1066016228.db2.gz NBNKFMUPVYKWNA-TZIWHRDSSA-N 1 2 475.659 2.942 20 0 JFADLO CN(CCn1cccn1)C(=O)[C@H](Cc1cn(Cc2ccccc2)c[nH+]1)NC(=O)OC(C)(C)C ZINC001293470149 1066017843 /nfs/dbraw/zinc/01/78/43/1066017843.db2.gz HRPGFYJDSUHMEJ-NRFANRHFSA-N 1 2 452.559 2.722 20 0 JFADLO CC[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001293520618 1066042284 /nfs/dbraw/zinc/04/22/84/1066042284.db2.gz ZFQSJRYJUVVZNJ-FQEVSTJZSA-N 1 2 491.036 2.588 20 0 JFADLO CC[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001293520618 1066042296 /nfs/dbraw/zinc/04/22/96/1066042296.db2.gz ZFQSJRYJUVVZNJ-FQEVSTJZSA-N 1 2 491.036 2.588 20 0 JFADLO CC[C@H]1CN(c2nnc(C3CCC3)n2CCS(=O)(=O)c2ccccc2)CC[N@@H+]1CCOC ZINC001293586214 1066094402 /nfs/dbraw/zinc/09/44/02/1066094402.db2.gz HBAWXWDWHRGJOY-FQEVSTJZSA-N 1 2 461.632 2.567 20 0 JFADLO CC[C@H]1CN(c2nnc(C3CCC3)n2CCS(=O)(=O)c2ccccc2)CC[N@H+]1CCOC ZINC001293586214 1066094412 /nfs/dbraw/zinc/09/44/12/1066094412.db2.gz HBAWXWDWHRGJOY-FQEVSTJZSA-N 1 2 461.632 2.567 20 0 JFADLO CC[C@@H]1CN(c2nnc(C3CCC3)n2CCS(=O)(=O)c2ccccc2)CC[N@@H+]1CCOC ZINC001293586215 1066094550 /nfs/dbraw/zinc/09/45/50/1066094550.db2.gz HBAWXWDWHRGJOY-HXUWFJFHSA-N 1 2 461.632 2.567 20 0 JFADLO CC[C@@H]1CN(c2nnc(C3CCC3)n2CCS(=O)(=O)c2ccccc2)CC[N@H+]1CCOC ZINC001293586215 1066094559 /nfs/dbraw/zinc/09/45/59/1066094559.db2.gz HBAWXWDWHRGJOY-HXUWFJFHSA-N 1 2 461.632 2.567 20 0 JFADLO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CC)CCCC2)CC[N@@H+]1CCOC ZINC001293593491 1066099247 /nfs/dbraw/zinc/09/92/47/1066099247.db2.gz GHYZHAGSHJBTCF-WOJBJXKFSA-N 1 2 467.680 2.698 20 0 JFADLO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CC)CCCC2)CC[N@H+]1CCOC ZINC001293593491 1066099259 /nfs/dbraw/zinc/09/92/59/1066099259.db2.gz GHYZHAGSHJBTCF-WOJBJXKFSA-N 1 2 467.680 2.698 20 0 JFADLO CC/C=C/Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001293674726 1066172405 /nfs/dbraw/zinc/17/24/05/1066172405.db2.gz NDOPMELXUUXFDZ-AATRIKPKSA-N 1 2 470.599 2.933 20 0 JFADLO C[C@H](CNC(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@@H](C)C1)Cn1cc[nH+]c1 ZINC001293777074 1066270992 /nfs/dbraw/zinc/27/09/92/1066270992.db2.gz LRQAJDVIHREXNQ-SQNIBIBYSA-N 1 2 454.600 2.985 20 0 JFADLO CCN(C(=O)c1csc(S(N)(=O)=O)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001293782874 1066280094 /nfs/dbraw/zinc/28/00/94/1066280094.db2.gz BEKKUJCTYNIGOD-UHFFFAOYSA-N 1 2 451.618 2.748 20 0 JFADLO CCC[C@](C)(O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001293803099 1066313279 /nfs/dbraw/zinc/31/32/79/1066313279.db2.gz XAMFWAPGXJRGNY-DEOSSOPVSA-N 1 2 475.037 2.894 20 0 JFADLO CCC[C@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001293804571 1066314167 /nfs/dbraw/zinc/31/41/67/1066314167.db2.gz BQYCBFNQBHJBHQ-DVECYGJZSA-N 1 2 458.607 2.531 20 0 JFADLO CCC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001293806614 1066316706 /nfs/dbraw/zinc/31/67/06/1066316706.db2.gz KHLMFKLEADKGTP-UUOWRZLLSA-N 1 2 490.052 2.678 20 0 JFADLO CCC[C@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001293807640 1066317824 /nfs/dbraw/zinc/31/78/24/1066317824.db2.gz UJOCXCVFBXVJSG-DEOSSOPVSA-N 1 2 484.626 2.621 20 0 JFADLO CCC[C@@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001293807644 1066317938 /nfs/dbraw/zinc/31/79/38/1066317938.db2.gz UJOCXCVFBXVJSG-XMMPIXPASA-N 1 2 484.626 2.621 20 0 JFADLO CCC[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001293819706 1066326688 /nfs/dbraw/zinc/32/66/88/1066326688.db2.gz LZNRHLAGRVDCIO-DEOSSOPVSA-N 1 2 465.606 2.835 20 0 JFADLO CCC[C@](C)(O)Cn1c(Cc2ccccc2C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001293830743 1066334625 /nfs/dbraw/zinc/33/46/25/1066334625.db2.gz BSSWXXZNZDQFCW-AMGIVPHBSA-N 1 2 482.673 2.861 20 0 JFADLO CCC[C@@H](C)C(=O)NCCn1c(CC(C)(C)C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001293861857 1066371286 /nfs/dbraw/zinc/37/12/86/1066371286.db2.gz SRNQYJHLRCPRSQ-NHCUHLMSSA-N 1 2 489.709 2.552 20 0 JFADLO CCC[C@@H](C)C(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001293862887 1066372826 /nfs/dbraw/zinc/37/28/26/1066372826.db2.gz KZWCWMSPRRXZOH-WIYYLYMNSA-N 1 2 473.622 2.691 20 0 JFADLO CCC[C@H](Cn1c(-c2ccccc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)OC ZINC001293961499 1066461147 /nfs/dbraw/zinc/46/11/47/1066461147.db2.gz AJIOULIEEJHPKM-RBBKRZOGSA-N 1 2 454.619 2.893 20 0 JFADLO CCC[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1)OC ZINC001293969027 1066470070 /nfs/dbraw/zinc/47/00/70/1066470070.db2.gz PJCLVGQHHDGUJF-CTNGQTDRSA-N 1 2 471.650 2.668 20 0 JFADLO CCC[C@@H](Cn1c(CC2CCCC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)OC ZINC001293983528 1066488319 /nfs/dbraw/zinc/48/83/19/1066488319.db2.gz HYWDLMPDTRYXKD-IRLDBZIGSA-N 1 2 460.667 2.959 20 0 JFADLO CCC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC001294069447 1066539748 /nfs/dbraw/zinc/53/97/48/1066539748.db2.gz PZXGGKVRWSLAPF-NQIIRXRSSA-N 1 2 496.077 2.970 20 0 JFADLO CCC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC001294069447 1066539755 /nfs/dbraw/zinc/53/97/55/1066539755.db2.gz PZXGGKVRWSLAPF-NQIIRXRSSA-N 1 2 496.077 2.970 20 0 JFADLO CCC[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CC2(S(C)(=O)=O)CCCC2)CC[N@@H+]1CCOC ZINC001294077429 1066546422 /nfs/dbraw/zinc/54/64/22/1066546422.db2.gz PDCKPMDIBLCAGN-IBGZPJMESA-N 1 2 478.663 2.568 20 0 JFADLO CCC[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CC2(S(C)(=O)=O)CCCC2)CC[N@H+]1CCOC ZINC001294077429 1066546432 /nfs/dbraw/zinc/54/64/32/1066546432.db2.gz PDCKPMDIBLCAGN-IBGZPJMESA-N 1 2 478.663 2.568 20 0 JFADLO CCC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccsc2)[NH+](C)C)CCO1 ZINC001294086277 1066556730 /nfs/dbraw/zinc/55/67/30/1066556730.db2.gz KQSXNPXQBSFCDL-IPMKNSEASA-N 1 2 467.661 2.550 20 0 JFADLO CCC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccsc2)[NH+](C)C)CCO1 ZINC001294086279 1066557244 /nfs/dbraw/zinc/55/72/44/1066557244.db2.gz KQSXNPXQBSFCDL-QRVBRYPASA-N 1 2 467.661 2.550 20 0 JFADLO CCC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)s2)CC[N@@H+]1CCOC ZINC001294086454 1066557295 /nfs/dbraw/zinc/55/72/95/1066557295.db2.gz LRDMKIAVASBROB-OALUTQOASA-N 1 2 481.688 2.536 20 0 JFADLO CCC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)s2)CC[N@H+]1CCOC ZINC001294086454 1066557301 /nfs/dbraw/zinc/55/73/01/1066557301.db2.gz LRDMKIAVASBROB-OALUTQOASA-N 1 2 481.688 2.536 20 0 JFADLO CN1CC[NH+](Cc2cc3nc(N4CCC5(CC(F)C5)CC4)nc(N4CCOCC4)c3s2)CC1 ZINC001164416433 718884158 /nfs/dbraw/zinc/88/41/58/718884158.db2.gz WRFZSBDMZAXFAI-UHFFFAOYSA-N 1 2 474.650 2.994 20 0 JFADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(Oc4ccc(SC)cc4)ncn3)CC2)C1=O ZINC001164641199 719278948 /nfs/dbraw/zinc/27/89/48/719278948.db2.gz UDXKFYQSEVTQHJ-UHFFFAOYSA-N 1 2 457.600 2.750 20 0 JFADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(Oc4ccc(SC)cc4)ncn3)CC2)C1=O ZINC001164641199 719278950 /nfs/dbraw/zinc/27/89/50/719278950.db2.gz UDXKFYQSEVTQHJ-UHFFFAOYSA-N 1 2 457.600 2.750 20 0 JFADLO O=C(CC1CC1)N[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C[C@H]2CCCO[C@H]21 ZINC001164654905 719324123 /nfs/dbraw/zinc/32/41/23/719324123.db2.gz NQCWUERXAWZUDW-YMVVMYQSSA-N 1 2 461.610 2.935 20 0 JFADLO O=C(CC1CC1)N[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C[C@H]2CCCO[C@H]21 ZINC001164654905 719324124 /nfs/dbraw/zinc/32/41/24/719324124.db2.gz NQCWUERXAWZUDW-YMVVMYQSSA-N 1 2 461.610 2.935 20 0 JFADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)cc(C(N)=O)n1)CC2 ZINC001164663824 719348785 /nfs/dbraw/zinc/34/87/85/719348785.db2.gz MWVUQLAUAWSNMU-UHFFFAOYSA-N 1 2 451.962 2.924 20 0 JFADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)cc(C(N)=O)n1)CC2 ZINC001164663824 719348788 /nfs/dbraw/zinc/34/87/88/719348788.db2.gz MWVUQLAUAWSNMU-UHFFFAOYSA-N 1 2 451.962 2.924 20 0 JFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)Cc1nc(Cl)cc(Cl)n1 ZINC001164703786 719865001 /nfs/dbraw/zinc/86/50/01/719865001.db2.gz KLQSALKAHGTIKV-YVEFUNNKSA-N 1 2 453.317 2.647 20 0 JFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(C(=O)N2CCCCC2)cc1Cl ZINC001164708009 719870446 /nfs/dbraw/zinc/87/04/46/719870446.db2.gz XFOBWVGSDSMIEK-JPYJTQIMSA-N 1 2 464.994 2.594 20 0 JFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)COC(=O)Nc1cccnc1Cl ZINC001164708213 719877045 /nfs/dbraw/zinc/87/70/45/719877045.db2.gz YQTGWRFPLDNCFR-KUHUBIRLSA-N 1 2 476.908 2.605 20 0 JFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)Cc1nc2c(ncnc2Cl)s1 ZINC001164702156 719880438 /nfs/dbraw/zinc/88/04/38/719880438.db2.gz ONSSBSIFFIPRCY-KPZWWZAWSA-N 1 2 475.949 2.603 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1cccc3c(Cl)ncnc31)CC2 ZINC001164708807 719928051 /nfs/dbraw/zinc/92/80/51/719928051.db2.gz ROVINGAWLZMACL-UHFFFAOYSA-N 1 2 475.931 2.512 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1nc(Cl)c3ccccc3n1)CC2 ZINC001164701792 719932516 /nfs/dbraw/zinc/93/25/16/719932516.db2.gz BWYFFLYTJDARMA-UHFFFAOYSA-N 1 2 475.931 2.512 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1ccnc(Cl)c1Cl)CC2 ZINC001164704809 719935297 /nfs/dbraw/zinc/93/52/97/719935297.db2.gz SLUSAUBYSFHIFY-UHFFFAOYSA-N 1 2 459.328 2.617 20 0 JFADLO COc1cc2c(cc(Cl)nc2N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)cc1F ZINC001164717418 720049192 /nfs/dbraw/zinc/04/91/92/720049192.db2.gz YSHDFQBZWSPVIE-UHFFFAOYSA-N 1 2 472.952 2.720 20 0 JFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)C2)C1 ZINC001164719841 720243445 /nfs/dbraw/zinc/24/34/45/720243445.db2.gz POHSOJOEQHJDRK-MHZLTWQESA-N 1 2 472.593 2.870 20 0 JFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)C2)C1 ZINC001164719841 720243449 /nfs/dbraw/zinc/24/34/49/720243449.db2.gz POHSOJOEQHJDRK-MHZLTWQESA-N 1 2 472.593 2.870 20 0 JFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)C2)C1 ZINC001164720387 720246057 /nfs/dbraw/zinc/24/60/57/720246057.db2.gz USNSCIAEAZNAAI-HXUWFJFHSA-N 1 2 471.911 2.632 20 0 JFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(Cl)c4cc(F)ccc4n3)C2)C1 ZINC001164720387 720246068 /nfs/dbraw/zinc/24/60/68/720246068.db2.gz USNSCIAEAZNAAI-HXUWFJFHSA-N 1 2 471.911 2.632 20 0 JFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Oc4ccc(SC)cc4)ncn3)C2)C1 ZINC001164722328 720273975 /nfs/dbraw/zinc/27/39/75/720273975.db2.gz PYGOWERMMYZLHD-QHCPKHFHSA-N 1 2 457.600 2.656 20 0 JFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Oc4ccc(SC)cc4)ncn3)C2)C1 ZINC001164722328 720273987 /nfs/dbraw/zinc/27/39/87/720273987.db2.gz PYGOWERMMYZLHD-QHCPKHFHSA-N 1 2 457.600 2.656 20 0 JFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN([C@@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)C2)C1 ZINC001164723256 720296576 /nfs/dbraw/zinc/29/65/76/720296576.db2.gz VRKLQXOSDZVXSQ-PKTZIBPZSA-N 1 2 477.968 2.589 20 0 JFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN([C@@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)C2)C1 ZINC001164723256 720296591 /nfs/dbraw/zinc/29/65/91/720296591.db2.gz VRKLQXOSDZVXSQ-PKTZIBPZSA-N 1 2 477.968 2.589 20 0 JFADLO COC(=O)c1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c(Cl)c1 ZINC001164825537 720358014 /nfs/dbraw/zinc/35/80/14/720358014.db2.gz QIYSREGMKZTPJQ-UHFFFAOYSA-N 1 2 463.991 2.600 20 0 JFADLO COC(=O)c1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c(Cl)c1 ZINC001164825537 720358018 /nfs/dbraw/zinc/35/80/18/720358018.db2.gz QIYSREGMKZTPJQ-UHFFFAOYSA-N 1 2 463.991 2.600 20 0 JFADLO CSc1nc(Cl)cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164825528 720358438 /nfs/dbraw/zinc/35/84/38/720358438.db2.gz QHKOIIPHWRCBKL-UHFFFAOYSA-N 1 2 453.037 2.930 20 0 JFADLO CSc1nc(Cl)cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164825528 720358448 /nfs/dbraw/zinc/35/84/48/720358448.db2.gz QHKOIIPHWRCBKL-UHFFFAOYSA-N 1 2 453.037 2.930 20 0 JFADLO COc1cc2ncnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)c2cc1OC ZINC001164823177 720362924 /nfs/dbraw/zinc/36/29/24/720362924.db2.gz BLFWHRWBSJVGOO-UHFFFAOYSA-N 1 2 482.610 2.725 20 0 JFADLO COc1cc2ncnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)c2cc1OC ZINC001164823177 720362932 /nfs/dbraw/zinc/36/29/32/720362932.db2.gz BLFWHRWBSJVGOO-UHFFFAOYSA-N 1 2 482.610 2.725 20 0 JFADLO CCOC(=O)c1ccc2ncnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)c2c1 ZINC001164820055 720370138 /nfs/dbraw/zinc/37/01/38/720370138.db2.gz KXAUSCRGTJQONT-UHFFFAOYSA-N 1 2 494.621 2.885 20 0 JFADLO CCOC(=O)c1ccc2ncnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)c2c1 ZINC001164820055 720370146 /nfs/dbraw/zinc/37/01/46/720370146.db2.gz KXAUSCRGTJQONT-UHFFFAOYSA-N 1 2 494.621 2.885 20 0 JFADLO CCOC(=O)c1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)ncc1C ZINC001164819365 720372159 /nfs/dbraw/zinc/37/21/59/720372159.db2.gz DMBBKNNSUJBNPG-UHFFFAOYSA-N 1 2 457.600 2.645 20 0 JFADLO CCOC(=O)c1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)ncc1C ZINC001164819365 720372160 /nfs/dbraw/zinc/37/21/60/720372160.db2.gz DMBBKNNSUJBNPG-UHFFFAOYSA-N 1 2 457.600 2.645 20 0 JFADLO COc1cc2c(cc1F)ncnc2N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164820727 720374584 /nfs/dbraw/zinc/37/45/84/720374584.db2.gz RLPOHWFZHBXYTJ-UHFFFAOYSA-N 1 2 470.574 2.856 20 0 JFADLO COc1cc2c(cc1F)ncnc2N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164820727 720374592 /nfs/dbraw/zinc/37/45/92/720374592.db2.gz RLPOHWFZHBXYTJ-UHFFFAOYSA-N 1 2 470.574 2.856 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cncc(N5CCCCC5)n4)CC3)C2=O)cs1 ZINC001164819698 720376491 /nfs/dbraw/zinc/37/64/91/720376491.db2.gz GJAIUTPUAMDDOA-UHFFFAOYSA-N 1 2 455.632 2.545 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cncc(N5CCCCC5)n4)CC3)C2=O)cs1 ZINC001164819698 720376497 /nfs/dbraw/zinc/37/64/97/720376497.db2.gz GJAIUTPUAMDDOA-UHFFFAOYSA-N 1 2 455.632 2.545 20 0 JFADLO CSc1ncc(Cl)nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164821172 720377338 /nfs/dbraw/zinc/37/73/38/720377338.db2.gz YYYBCUGGKHEYGT-UHFFFAOYSA-N 1 2 453.037 2.930 20 0 JFADLO CSc1ncc(Cl)nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164821172 720377345 /nfs/dbraw/zinc/37/73/45/720377345.db2.gz YYYBCUGGKHEYGT-UHFFFAOYSA-N 1 2 453.037 2.930 20 0 JFADLO O=C(Nc1cccnc1Cl)OCC(F)(F)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164826068 720399731 /nfs/dbraw/zinc/39/97/31/720399731.db2.gz BCXOQTNBFKHWLE-UHFFFAOYSA-N 1 2 452.853 2.619 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1ccnc(Cl)c1F)C2 ZINC001164822567 720431703 /nfs/dbraw/zinc/43/17/03/720431703.db2.gz FDXYJNWKGKNAAE-CQSZACIVSA-N 1 2 459.900 2.605 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(-c3ccc(Cl)cc3)nn1)C2 ZINC001164825119 720436535 /nfs/dbraw/zinc/43/65/35/720436535.db2.gz QECQEFXXFZQNII-IBGZPJMESA-N 1 2 468.989 2.983 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1nc(Cl)ncc1Cl)C2 ZINC001164827015 720439038 /nfs/dbraw/zinc/43/90/38/720439038.db2.gz YIYWPFALAIDZJW-CYBMUJFWSA-N 1 2 477.343 2.514 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1nc(Cl)ccc1F)C2 ZINC001164826419 720450409 /nfs/dbraw/zinc/45/04/09/720450409.db2.gz WGKSMELDFZXMQZ-AWEZNQCLSA-N 1 2 459.900 2.605 20 0 JFADLO Cc1cc(Cl)ncc1C(F)(F)N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164827254 720452408 /nfs/dbraw/zinc/45/24/08/720452408.db2.gz ZQAWWIBGSQUPAT-INIZCTEOSA-N 1 2 455.937 2.774 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)nnc1-c1ccccc1)C2 ZINC001164825718 720453197 /nfs/dbraw/zinc/45/31/97/720453197.db2.gz UMDVJEVOSRMXKN-IBGZPJMESA-N 1 2 468.989 2.983 20 0 JFADLO Cc1cc(Cl)nc(C(F)(F)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164829286 720458462 /nfs/dbraw/zinc/45/84/62/720458462.db2.gz FGOWMCDXMCGXHO-INIZCTEOSA-N 1 2 455.937 2.774 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(-c3nc(C(C)(C)C)no3)ccn1)C2 ZINC001164831174 720466476 /nfs/dbraw/zinc/46/64/76/720466476.db2.gz NFFSXTKRUKDDRX-IBGZPJMESA-N 1 2 481.601 2.615 20 0 JFADLO CC(C)n1ccc2c1nc(Cl)nc2N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164829972 720467787 /nfs/dbraw/zinc/46/77/87/720467787.db2.gz ILQMTIOQFVRQSY-KRWDZBQOSA-N 1 2 474.009 2.852 20 0 JFADLO Cc1c(Cl)nc(C(C)(C)C)nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164830030 720470633 /nfs/dbraw/zinc/47/06/33/720470633.db2.gz IUBGONJXGKVEKD-QGZVFWFLSA-N 1 2 463.026 2.922 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc(Cl)nc1-c1ccccc1)C2 ZINC001164829336 720474632 /nfs/dbraw/zinc/47/46/32/720474632.db2.gz FTQWMQNIODONHU-IBGZPJMESA-N 1 2 468.989 2.983 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(-c3c(F)cccc3F)nn1)C2 ZINC001164832261 720474657 /nfs/dbraw/zinc/47/46/57/720474657.db2.gz SBXMTCSNDYIZDO-KRWDZBQOSA-N 1 2 470.524 2.608 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cncc(OCc3cccc(Cl)c3)n1)C2 ZINC001164831876 720481223 /nfs/dbraw/zinc/48/12/23/720481223.db2.gz HTUYHCWAQDAYQB-HXUWFJFHSA-N 1 2 499.015 2.895 20 0 JFADLO COC[C@]12CCC[C@H]1CN(c1nc3cc(C[NH+]4CCN(C)CC4)sc3c(N3CCOCC3)n1)C2 ZINC001164845486 720790348 /nfs/dbraw/zinc/79/03/48/720790348.db2.gz GKJAFCWRVQYNFX-UQBPGWFLSA-N 1 2 486.686 2.528 20 0 JFADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)C2 ZINC001164860955 720895462 /nfs/dbraw/zinc/89/54/62/720895462.db2.gz WRMYKRXXYMRDFR-UHFFFAOYSA-N 1 2 488.983 2.858 20 0 JFADLO O=C(c1cccnc1N1C[C@H](OCc2cccnc2)[C@@H]2COC[C@@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164764362 721006561 /nfs/dbraw/zinc/00/65/61/721006561.db2.gz ZORTWUDCTXIIJD-PVHODMMVSA-N 1 2 499.615 2.855 20 0 JFADLO O=C(c1cccnc1N1C[C@H](OCc2cccnc2)[C@@H]2COC[C@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164764360 721007194 /nfs/dbraw/zinc/00/71/94/721007194.db2.gz ZORTWUDCTXIIJD-PFBJBMPXSA-N 1 2 499.615 2.855 20 0 JFADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871050 721165591 /nfs/dbraw/zinc/16/55/91/721165591.db2.gz DBAZUSOWXDOFOI-FGZHOGPDSA-N 1 2 483.569 2.896 20 0 JFADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871050 721165600 /nfs/dbraw/zinc/16/56/00/721165600.db2.gz DBAZUSOWXDOFOI-FGZHOGPDSA-N 1 2 483.569 2.896 20 0 JFADLO CS(=O)(=O)c1cc(C(F)(F)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)cnc1Cl ZINC001164875974 721222827 /nfs/dbraw/zinc/22/28/27/721222827.db2.gz YSYNCOOMSIDHFI-UHFFFAOYSA-N 1 2 472.945 2.954 20 0 JFADLO CCN1CC[C@@]2(CN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)C[C@@H]2C)C1=O ZINC001164777893 721319524 /nfs/dbraw/zinc/31/95/24/721319524.db2.gz MLHTZXSVNHDPDN-IDISGSTGSA-N 1 2 461.610 2.734 20 0 JFADLO CCOC[C@H]1CN(c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)Cc2cnn(C)c21 ZINC001164793724 721477367 /nfs/dbraw/zinc/47/73/67/721477367.db2.gz YDCXHLMWHONDIA-HSZRJFAPSA-N 1 2 474.609 2.913 20 0 JFADLO CS(=O)(=O)c1nc(Cl)cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905162 721583356 /nfs/dbraw/zinc/58/33/56/721583356.db2.gz TZXPSLZYJRHCPO-GOSISDBHSA-N 1 2 457.934 2.666 20 0 JFADLO CS(=O)(=O)c1nc(Cl)cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905162 721583358 /nfs/dbraw/zinc/58/33/58/721583358.db2.gz TZXPSLZYJRHCPO-GOSISDBHSA-N 1 2 457.934 2.666 20 0 JFADLO CS(=O)(=O)c1nc(Cl)cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905163 721583754 /nfs/dbraw/zinc/58/37/54/721583754.db2.gz TZXPSLZYJRHCPO-SFHVURJKSA-N 1 2 457.934 2.666 20 0 JFADLO CS(=O)(=O)c1nc(Cl)cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905163 721583756 /nfs/dbraw/zinc/58/37/56/721583756.db2.gz TZXPSLZYJRHCPO-SFHVURJKSA-N 1 2 457.934 2.666 20 0 JFADLO c1cnn(C[C@H]2CC[C@]3(COCCN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C3)O2)c1 ZINC001164803143 721607310 /nfs/dbraw/zinc/60/73/10/721607310.db2.gz JDOPVVJUCOBWAP-GJZUVCINSA-N 1 2 460.582 2.686 20 0 JFADLO c1cnn(C[C@H]2CC[C@]3(COCCN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C3)O2)c1 ZINC001164803143 721607312 /nfs/dbraw/zinc/60/73/12/721607312.db2.gz JDOPVVJUCOBWAP-GJZUVCINSA-N 1 2 460.582 2.686 20 0 JFADLO c1cnn(C[C@H]2CC[C@@]3(COCCN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C3)O2)c1 ZINC001164803137 721607350 /nfs/dbraw/zinc/60/73/50/721607350.db2.gz JDOPVVJUCOBWAP-ATIYNZHBSA-N 1 2 460.582 2.686 20 0 JFADLO c1cnn(C[C@H]2CC[C@@]3(COCCN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C3)O2)c1 ZINC001164803137 721607351 /nfs/dbraw/zinc/60/73/51/721607351.db2.gz JDOPVVJUCOBWAP-ATIYNZHBSA-N 1 2 460.582 2.686 20 0 JFADLO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165010778 721703037 /nfs/dbraw/zinc/70/30/37/721703037.db2.gz MFEPXMRLSXHMRX-UHFFFAOYSA-N 1 2 454.000 2.871 20 0 JFADLO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165010778 721703042 /nfs/dbraw/zinc/70/30/42/721703042.db2.gz MFEPXMRLSXHMRX-UHFFFAOYSA-N 1 2 454.000 2.871 20 0 JFADLO CC[C@H]1C(=O)Nc2cnc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)nc2N1C1CCCC1 ZINC001165010344 721703573 /nfs/dbraw/zinc/70/35/73/721703573.db2.gz HLQJDSJPFVDQCQ-IBGZPJMESA-N 1 2 467.622 2.798 20 0 JFADLO CC[C@H]1C(=O)Nc2cnc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)nc2N1C1CCCC1 ZINC001165010344 721703579 /nfs/dbraw/zinc/70/35/79/721703579.db2.gz HLQJDSJPFVDQCQ-IBGZPJMESA-N 1 2 467.622 2.798 20 0 JFADLO CCS(=O)(=O)c1cc(C(F)(F)N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)cnc1Cl ZINC001165011481 721722460 /nfs/dbraw/zinc/72/24/60/721722460.db2.gz QQZDSJJQRZPRKW-UHFFFAOYSA-N 1 2 476.981 2.916 20 0 JFADLO CCS(=O)(=O)c1cc(C(F)(F)N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)cnc1Cl ZINC001165011481 721722461 /nfs/dbraw/zinc/72/24/61/721722461.db2.gz QQZDSJJQRZPRKW-UHFFFAOYSA-N 1 2 476.981 2.916 20 0 JFADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1ccc(Cl)nc1Cl)CC2 ZINC001165015587 721765607 /nfs/dbraw/zinc/76/56/07/721765607.db2.gz SDSMPSQOFVTGFF-UHFFFAOYSA-N 1 2 470.311 2.856 20 0 JFADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(Cl)(Cl)Oc1ccc(Cl)nc1)CC2 ZINC001165015010 721765997 /nfs/dbraw/zinc/76/59/97/721765997.db2.gz LQJUIHAFYLFSGA-UHFFFAOYSA-N 1 2 484.775 2.621 20 0 JFADLO CCOC(=O)c1cnc(Cl)c(C)c1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915211 721785521 /nfs/dbraw/zinc/78/55/21/721785521.db2.gz KJTDPQHBBWFZPL-QHCPKHFHSA-N 1 2 460.962 2.723 20 0 JFADLO CCOC(=O)c1cnc(Cl)c(C)c1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915211 721785525 /nfs/dbraw/zinc/78/55/25/721785525.db2.gz KJTDPQHBBWFZPL-QHCPKHFHSA-N 1 2 460.962 2.723 20 0 JFADLO COc1ccc(C(F)(F)N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1Cl ZINC001164915135 721787144 /nfs/dbraw/zinc/78/71/44/721787144.db2.gz IJXVVNOARXFUCS-HXUWFJFHSA-N 1 2 454.905 2.791 20 0 JFADLO COc1ccc(C(F)(F)N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1Cl ZINC001164915135 721787145 /nfs/dbraw/zinc/78/71/45/721787145.db2.gz IJXVVNOARXFUCS-HXUWFJFHSA-N 1 2 454.905 2.791 20 0 JFADLO CN(C)c1ccc(-c2ccnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164914843 721791030 /nfs/dbraw/zinc/79/10/30/721791030.db2.gz GCZYLVPLTRXSIU-SANMLTNESA-N 1 2 460.582 2.712 20 0 JFADLO CN(C)c1ccc(-c2ccnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164914843 721791034 /nfs/dbraw/zinc/79/10/34/721791034.db2.gz GCZYLVPLTRXSIU-SANMLTNESA-N 1 2 460.582 2.712 20 0 JFADLO Cc1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(NC(=O)c2ccccc2)n1 ZINC001164913255 721798316 /nfs/dbraw/zinc/79/83/16/721798316.db2.gz CGIPMPQHGHDJIV-SANMLTNESA-N 1 2 474.565 2.540 20 0 JFADLO Cc1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(NC(=O)c2ccccc2)n1 ZINC001164913255 721798318 /nfs/dbraw/zinc/79/83/18/721798318.db2.gz CGIPMPQHGHDJIV-SANMLTNESA-N 1 2 474.565 2.540 20 0 JFADLO Cc1cc(OCc2ccccc2)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915744 721798980 /nfs/dbraw/zinc/79/89/80/721798980.db2.gz ZEJOLUOLSIXPQS-AREMUKBSSA-N 1 2 461.566 2.867 20 0 JFADLO Cc1cc(OCc2ccccc2)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915744 721798982 /nfs/dbraw/zinc/79/89/82/721798982.db2.gz ZEJOLUOLSIXPQS-AREMUKBSSA-N 1 2 461.566 2.867 20 0 JFADLO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC2(CC1)c1ncc(C)n1CC[N@H+]2C ZINC001164918264 721812578 /nfs/dbraw/zinc/81/25/78/721812578.db2.gz QCZAHTZRDQSYAB-UHFFFAOYSA-N 1 2 454.909 2.798 20 0 JFADLO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC2(CC1)c1ncc(C)n1CC[N@@H+]2C ZINC001164918264 721812579 /nfs/dbraw/zinc/81/25/79/721812579.db2.gz QCZAHTZRDQSYAB-UHFFFAOYSA-N 1 2 454.909 2.798 20 0 JFADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(N3CCN(c4ccccc4)CC3)nn2)CC1 ZINC001164917732 721819407 /nfs/dbraw/zinc/81/94/07/721819407.db2.gz HEWSZOISUDCMKG-UHFFFAOYSA-N 1 2 458.614 2.749 20 0 JFADLO Cc1c[nH+]c2n1CCN(C)C21CCN(C(F)(F)c2cnc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC001164918142 721822247 /nfs/dbraw/zinc/82/22/47/721822247.db2.gz BWSUOZXRMPEDQR-UHFFFAOYSA-N 1 2 459.950 2.629 20 0 JFADLO Cc1nc(CN2CCOC[C@@]3(CN(c4cc(N5CCC[C@H](C)C5)[nH+]cn4)CCO3)C2)cs1 ZINC001164923011 721833372 /nfs/dbraw/zinc/83/33/72/721833372.db2.gz QIIYCXQPHMOIOI-MBSDFSHPSA-N 1 2 458.632 2.586 20 0 JFADLO Cc1nc(CN2CCOC[C@@]3(CN(c4cc(N5CCC[C@H](C)C5)nc[nH+]4)CCO3)C2)cs1 ZINC001164923011 721833375 /nfs/dbraw/zinc/83/33/75/721833375.db2.gz QIIYCXQPHMOIOI-MBSDFSHPSA-N 1 2 458.632 2.586 20 0 JFADLO CN1CC[NH+](Cc2cc3nc(N4CC[C@H](c5ccncc5)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001165041123 721928357 /nfs/dbraw/zinc/92/83/57/721928357.db2.gz YVFKTDRWGFSYAJ-FQEVSTJZSA-N 1 2 479.654 2.664 20 0 JFADLO c1coc(CN=c2ccnc([C@H]3COCCN3)n2-c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)c1 ZINC001164986904 722173126 /nfs/dbraw/zinc/17/31/26/722173126.db2.gz LZGWVJNJDKRGNI-XMMPIXPASA-N 1 2 483.576 2.575 20 0 JFADLO c1coc(CN=c2ccnc([C@H]3COCCN3)n2-c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)c1 ZINC001164986904 722173132 /nfs/dbraw/zinc/17/31/32/722173132.db2.gz LZGWVJNJDKRGNI-XMMPIXPASA-N 1 2 483.576 2.575 20 0 JFADLO Cc1nc(CN2CCO[C@H]3CCN(c4cc(-c5cc6c([nH]5)CCNC6=O)cc[nH+]4)CC[C@@H]32)cs1 ZINC001164989212 722181015 /nfs/dbraw/zinc/18/10/15/722181015.db2.gz LMBZGIFZPOOVFA-GOTSBHOMSA-N 1 2 478.622 2.997 20 0 JFADLO O=C(NCc1ccncc1)C1=NO[C@@]2(C1)CCCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164994799 722217779 /nfs/dbraw/zinc/21/77/79/722217779.db2.gz DOJAIPQDLCUJLA-MUUNZHRXSA-N 1 2 497.603 2.862 20 0 JFADLO O=C(NCc1ccncc1)C1=NO[C@@]2(C1)CCCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164994799 722217780 /nfs/dbraw/zinc/21/77/80/722217780.db2.gz DOJAIPQDLCUJLA-MUUNZHRXSA-N 1 2 497.603 2.862 20 0 JFADLO O=C(C[NH+]1CCC(NC(=O)[C@H]2CCC(=O)N(c3cccc(F)c3)C2)CC1)Nc1ccccc1 ZINC001264342112 1059576261 /nfs/dbraw/zinc/57/62/61/1059576261.db2.gz PBOZAEZKVRTICO-SFHVURJKSA-N 1 2 452.530 2.788 20 0 JFADLO CC(C)(C)C(=O)Nc1nc(CC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)cs1 ZINC001264342287 1059577026 /nfs/dbraw/zinc/57/70/26/1059577026.db2.gz WKVADFFWUUUPHU-UHFFFAOYSA-N 1 2 457.600 2.890 20 0 JFADLO C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1=O ZINC001264343618 1059577549 /nfs/dbraw/zinc/57/75/49/1059577549.db2.gz HXLOGBOFLXLFGB-QFIPXVFZSA-N 1 2 459.909 2.558 20 0 JFADLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1 ZINC001265469984 1059867362 /nfs/dbraw/zinc/86/73/62/1059867362.db2.gz UBZVPANFVLBLGD-UHFFFAOYSA-N 1 2 456.612 2.936 20 0 JFADLO COc1cccc([C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c2cc(F)ccc2OC)c1 ZINC001265778493 1059923503 /nfs/dbraw/zinc/92/35/03/1059923503.db2.gz LURUNNFEJZXUBY-FGCOXFRFSA-N 1 2 458.530 2.928 20 0 JFADLO CC(=O)N(C)C1CCN(c2nnc(C(C)C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001286837057 1061091551 /nfs/dbraw/zinc/09/15/51/1061091551.db2.gz DGWYXSBPWMFILW-QHCPKHFHSA-N 1 2 454.619 2.750 20 0 JFADLO CC(=O)N(C)C1CCN(c2nnc(C(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001286837057 1061091568 /nfs/dbraw/zinc/09/15/68/1061091568.db2.gz DGWYXSBPWMFILW-QHCPKHFHSA-N 1 2 454.619 2.750 20 0 JFADLO CC(=O)N1CC[C@@H](CN(C)c2nnc(CC(C)C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001286849488 1061172470 /nfs/dbraw/zinc/17/24/70/1061172470.db2.gz CEEDINOGJMEDLQ-ZEQRLZLVSA-N 1 2 468.646 2.682 20 0 JFADLO CC(=O)N1CC[C@@H](CN(C)c2nnc(CC(C)C)n2C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001286849488 1061172475 /nfs/dbraw/zinc/17/24/75/1061172475.db2.gz CEEDINOGJMEDLQ-ZEQRLZLVSA-N 1 2 468.646 2.682 20 0 JFADLO Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CC(C)(C)[NH+]2CCOCC2)cc1Br ZINC001289609646 1061254269 /nfs/dbraw/zinc/25/42/69/1061254269.db2.gz MQCUMVWVNMIEDT-UHFFFAOYSA-N 1 2 496.475 2.696 20 0 JFADLO Cc1ccc([C@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)[nH+]c2)o1 ZINC001289620039 1061258510 /nfs/dbraw/zinc/25/85/10/1061258510.db2.gz XENPDWQPIUJYKT-FUHWJXTLSA-N 1 2 473.603 2.641 20 0 JFADLO Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCc3c(cc[nH+]c3N(C)C)C2)c(C)c1 ZINC001289662769 1061283638 /nfs/dbraw/zinc/28/36/38/1061283638.db2.gz PCRYNMFXDUJUSE-SFHVURJKSA-N 1 2 483.642 2.577 20 0 JFADLO CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001286880342 1061303397 /nfs/dbraw/zinc/30/33/97/1061303397.db2.gz QCUXXSMDYLWPDK-WOJBJXKFSA-N 1 2 462.545 2.769 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(C(C)C)nnc2N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC001286889289 1061346870 /nfs/dbraw/zinc/34/68/70/1061346870.db2.gz ISPDMYARQSOOGV-IBGZPJMESA-N 1 2 483.617 2.720 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C)c(C)c3)nnc2N(C)CCC2CC2)CC1 ZINC001286889473 1061348546 /nfs/dbraw/zinc/34/85/46/1061348546.db2.gz IYNGOUOIMXDBEF-UHFFFAOYSA-N 1 2 454.619 2.874 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3csc(C)n3)nnc2N(C)CCCc2ccccc2)CC1 ZINC001286889445 1061348575 /nfs/dbraw/zinc/34/85/75/1061348575.db2.gz HHHBFSSQIJRLOR-UHFFFAOYSA-N 1 2 481.670 2.867 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(CC(C)C)nnc2N2CCC(Oc3ccc(F)cc3F)CC2)CC1 ZINC001286889695 1061349567 /nfs/dbraw/zinc/34/95/67/1061349567.db2.gz JHIWPFJVKXNOJO-UHFFFAOYSA-N 1 2 490.599 2.967 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3cc(C)ccc3C)nnc2N2C[C@@H](C)[C@H](C)C2)CC1 ZINC001286889900 1061352482 /nfs/dbraw/zinc/35/24/82/1061352482.db2.gz MUEQHWDYKSUGEC-NHCUHLMSSA-N 1 2 454.619 2.730 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3cn4ccccc4n3)nnc2N(CC(C)C)C(C)C)CC1 ZINC001286890355 1061353801 /nfs/dbraw/zinc/35/38/01/1061353801.db2.gz PBBZSEULNGXVKQ-UHFFFAOYSA-N 1 2 466.634 2.552 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(CC(C)C)nnc2N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC001286890492 1061355100 /nfs/dbraw/zinc/35/51/00/1061355100.db2.gz RDQMIKMIVZBFCH-HXUWFJFHSA-N 1 2 497.644 2.795 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CCC(CO)(Cc3ccccc3)CC2)CC1 ZINC001286890872 1061357265 /nfs/dbraw/zinc/35/72/65/1061357265.db2.gz UHEJILBRISHRPB-UHFFFAOYSA-N 1 2 496.700 2.852 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Br)s3)nnc2N2CCC(F)(F)C2)CC1 ZINC001286891503 1061361286 /nfs/dbraw/zinc/36/12/86/1061361286.db2.gz ZKTVVJWQHPETAG-UHFFFAOYSA-N 1 2 489.390 2.779 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCCO3)nnc2N(C)Cc2cccc(Cl)c2)CC1 ZINC001286892595 1061365718 /nfs/dbraw/zinc/36/57/18/1061365718.db2.gz XQJLXWYRBKGQBH-OAQYLSRUSA-N 1 2 461.010 2.974 20 0 JFADLO Cc1ccc(NC(=O)c2nnc(N3CCOC[C@H]3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1C ZINC001289748116 1061368132 /nfs/dbraw/zinc/36/81/32/1061368132.db2.gz XHELZAPYKBZNSB-IFMALSPDSA-N 1 2 470.618 2.729 20 0 JFADLO Cc1ccc(NC(=O)c2nnc(N3CCS(=O)CC3)n2CCCNc2cccc[nH+]2)cc1C ZINC001289748253 1061368531 /nfs/dbraw/zinc/36/85/31/1061368531.db2.gz YQDPDKMZAQJLRC-UHFFFAOYSA-N 1 2 467.599 2.613 20 0 JFADLO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCNc2cccc[nH+]2)cc1 ZINC001289754591 1061376684 /nfs/dbraw/zinc/37/66/84/1061376684.db2.gz URORITMJIHZUCN-LJQANCHMSA-N 1 2 462.558 2.510 20 0 JFADLO CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCCCO3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001286901360 1061394134 /nfs/dbraw/zinc/39/41/34/1061394134.db2.gz RTRNWLUFYDPZQV-XVAXZDLZSA-N 1 2 455.607 2.913 20 0 JFADLO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001286905917 1061422477 /nfs/dbraw/zinc/42/24/77/1061422477.db2.gz BMAQWROTOACOIU-GOEBONIOSA-N 1 2 497.463 2.595 20 0 JFADLO CC(=O)NC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001286915876 1061496391 /nfs/dbraw/zinc/49/63/91/1061496391.db2.gz DWDBSMIFQADTHS-MSOLQXFVSA-N 1 2 491.036 2.897 20 0 JFADLO CC(=O)NC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001286915876 1061496403 /nfs/dbraw/zinc/49/64/03/1061496403.db2.gz DWDBSMIFQADTHS-MSOLQXFVSA-N 1 2 491.036 2.897 20 0 JFADLO Cc1ccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001289840958 1061516443 /nfs/dbraw/zinc/51/64/43/1061516443.db2.gz HAGGIMGPGBGOGD-HSZRJFAPSA-N 1 2 484.645 2.695 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc(CSc4ccc(C)cc4)n3CC(=O)N(C)C)CC2)on1 ZINC001289877866 1061562087 /nfs/dbraw/zinc/56/20/87/1061562087.db2.gz CPIZFJARURGBTE-UHFFFAOYSA-N 1 2 469.615 2.586 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc(C(C)C)n3CCNC(=O)c3cccc(C)c3)CC2)on1 ZINC001289889545 1061572579 /nfs/dbraw/zinc/57/25/79/1061572579.db2.gz HSQUKNMFXLZRCI-UHFFFAOYSA-N 1 2 451.575 2.759 20 0 JFADLO CCC[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC001294095425 1061573315 /nfs/dbraw/zinc/57/33/15/1061573315.db2.gz OWRRVGPUQYFKHX-LEWJYISDSA-N 1 2 495.715 2.692 20 0 JFADLO CCC[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC001294095425 1061573332 /nfs/dbraw/zinc/57/33/32/1061573332.db2.gz OWRRVGPUQYFKHX-LEWJYISDSA-N 1 2 495.715 2.692 20 0 JFADLO CCC[C@@H]1CN(c2nnc(COc3ccc(OC)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)CCO1 ZINC001294098738 1061578808 /nfs/dbraw/zinc/57/88/08/1061578808.db2.gz JVRVDGRCXVKCQZ-SIKLNZKXSA-N 1 2 459.591 2.592 20 0 JFADLO CCC[C@@H]1CN(c2nnc(COc3ccc(OC)cc3)n2CC[N@H+]2CCOC[C@@H]2C)CCO1 ZINC001294098738 1061578826 /nfs/dbraw/zinc/57/88/26/1061578826.db2.gz JVRVDGRCXVKCQZ-SIKLNZKXSA-N 1 2 459.591 2.592 20 0 JFADLO Cc1cccc([C@@H](Cn2c(CC(C)C)nnc2N2CC[C@](C)(C(N)=O)C2)[NH+]2CCOCC2)c1 ZINC001289894869 1061580824 /nfs/dbraw/zinc/58/08/24/1061580824.db2.gz ZNBSWHZTQUTSHT-BWKNWUBXSA-N 1 2 454.619 2.560 20 0 JFADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(-c3cccc(C)n3)nnc1N(C)[C@H](C)CS(C)(=O)=O)CCC2 ZINC001289908317 1061596665 /nfs/dbraw/zinc/59/66/65/1061596665.db2.gz FNMQNADNBPIECH-QZTJIDSGSA-N 1 2 457.604 2.600 20 0 JFADLO Cc1cn2c([nH+]1)[C@H](Cn1c(-c3cccc(C)n3)nnc1N(C)[C@@H](C)CS(C)(=O)=O)CCC2 ZINC001289908320 1061596863 /nfs/dbraw/zinc/59/68/63/1061596863.db2.gz FNMQNADNBPIECH-ROUUACIJSA-N 1 2 457.604 2.600 20 0 JFADLO CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C[C@@H]1[C@@H]1CCCO1 ZINC001294156644 1061640935 /nfs/dbraw/zinc/64/09/35/1061640935.db2.gz MIEYWWGIKXFRRD-BQJUDKOJSA-N 1 2 451.608 2.504 20 0 JFADLO Cc1cccc(-c2nnc(N3CC[C@H]([NH+]4CCN(C(C)C)CC4)C3)n2CCC(=O)NC(C)(C)C)n1 ZINC001289954465 1061649551 /nfs/dbraw/zinc/64/95/51/1061649551.db2.gz MIXQREUDYSIAOR-NRFANRHFSA-N 1 2 482.677 2.558 20 0 JFADLO CC(=O)NCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001286951263 1061688142 /nfs/dbraw/zinc/68/81/42/1061688142.db2.gz UEZYANGXSVQSLL-UHFFFAOYSA-N 1 2 472.956 2.689 20 0 JFADLO Cc1cccc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC(C)(C)OC(C)(C)C2)[nH+]1 ZINC001290002498 1061727907 /nfs/dbraw/zinc/72/79/07/1061727907.db2.gz HDLGRHGSTUFXFP-KRWDZBQOSA-N 1 2 464.636 2.618 20 0 JFADLO Cc1cccc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](c3ccco3)C2)[nH+]1 ZINC001290004087 1061730142 /nfs/dbraw/zinc/73/01/42/1061730142.db2.gz XSSRFZNTGPASLE-ROUUACIJSA-N 1 2 458.588 2.811 20 0 JFADLO Cc1cccc(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](c3ccco3)C2)[nH+]1 ZINC001290004083 1061730304 /nfs/dbraw/zinc/73/03/04/1061730304.db2.gz XSSRFZNTGPASLE-MSOLQXFVSA-N 1 2 458.588 2.811 20 0 JFADLO Cc1cccc(CCCn2c(-c3cc(Br)c[nH]3)nnc2N(C)CCS(C)(=O)=O)[nH+]1 ZINC001290008035 1061732140 /nfs/dbraw/zinc/73/21/40/1061732140.db2.gz OVZMBYUICFTERK-UHFFFAOYSA-N 1 2 481.420 2.853 20 0 JFADLO Cc1cccc(CCCn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001290008919 1061732635 /nfs/dbraw/zinc/73/26/35/1061732635.db2.gz DCWSFMGCNCOWJN-TZIWHRDSSA-N 1 2 486.617 2.848 20 0 JFADLO Cc1cccc(CCCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C(F)(F)F)C2)[nH+]1 ZINC001290009020 1061733206 /nfs/dbraw/zinc/73/32/06/1061733206.db2.gz HWHOLOFKALKNJF-QGZVFWFLSA-N 1 2 452.481 2.504 20 0 JFADLO Cc1ncc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3Cc3cccc(C)c3)CC2)s1 ZINC001290028079 1061746182 /nfs/dbraw/zinc/74/61/82/1061746182.db2.gz NFGXNEDBJUOQNH-UHFFFAOYSA-N 1 2 453.616 2.860 20 0 JFADLO C[NH+](C)[C@H](CNC(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1)c1ccc(Cl)cc1 ZINC001294243228 1061753117 /nfs/dbraw/zinc/75/31/17/1061753117.db2.gz DJHYUGQOCGZFTE-OAQYLSRUSA-N 1 2 458.971 2.990 20 0 JFADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(O)cc2)CC1 ZINC001286972422 1061754194 /nfs/dbraw/zinc/75/41/94/1061754194.db2.gz RPKZBDSZTRYMQA-IBGZPJMESA-N 1 2 454.619 2.754 20 0 JFADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(CC3CC3)n2CC(C)(C)C(F)(F)F)CC1 ZINC001286972990 1061757767 /nfs/dbraw/zinc/75/77/67/1061757767.db2.gz YAAQLCVEVRWJOM-INIZCTEOSA-N 1 2 456.557 2.952 20 0 JFADLO CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCc3[nH]c[nH+]c3C)cc2)cc1 ZINC001294283291 1061774304 /nfs/dbraw/zinc/77/43/04/1061774304.db2.gz IEGUWYYBHVZVBR-UHFFFAOYSA-N 1 2 458.540 2.637 20 0 JFADLO CCCCn1c(COc2ccccc2OC)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001294290471 1061776618 /nfs/dbraw/zinc/77/66/18/1061776618.db2.gz UJQAHASJVYEGGB-HXUWFJFHSA-N 1 2 470.618 2.799 20 0 JFADLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CC2CC2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001286977674 1061792690 /nfs/dbraw/zinc/79/26/90/1061792690.db2.gz OBRJZZGEXJBCHK-ROUUACIJSA-N 1 2 460.648 2.922 20 0 JFADLO Cc1cccc(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@H](C)[NH+]2CCOCC2)c1 ZINC001290073563 1061802101 /nfs/dbraw/zinc/80/21/01/1061802101.db2.gz JKGRQEAQQGEPFT-IBGZPJMESA-N 1 2 482.551 2.571 20 0 JFADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCCO2)n1CCc1cn2ccccc2[nH+]1 ZINC001286980700 1061815275 /nfs/dbraw/zinc/81/52/75/1061815275.db2.gz LNZGBEMJWLNSLT-LMMKCTJWSA-N 1 2 460.604 2.668 20 0 JFADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001286982211 1061825076 /nfs/dbraw/zinc/82/50/76/1061825076.db2.gz PQAZPNLQSBVSFO-GGPKGHCWSA-N 1 2 476.647 2.821 20 0 JFADLO Cc1ccccc1-c1nnc(N2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)n1CCC(=O)NC(C)C ZINC001290128716 1061861004 /nfs/dbraw/zinc/86/10/04/1061861004.db2.gz GGXJPJZZHXBLEC-OAQYLSRUSA-N 1 2 495.672 2.738 20 0 JFADLO Cc1ccccc1-c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCC(C)(C)O ZINC001290133982 1061869201 /nfs/dbraw/zinc/86/92/01/1061869201.db2.gz YKBPWRQDRIOFJH-QFIPXVFZSA-N 1 2 470.662 2.646 20 0 JFADLO Cc1ccccc1Cc1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001290145101 1061882636 /nfs/dbraw/zinc/88/26/36/1061882636.db2.gz HKOUWLMTIOHGFA-KJJMTIBFSA-N 1 2 491.702 2.934 20 0 JFADLO Cc1ccccc1Cc1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001290145108 1061882801 /nfs/dbraw/zinc/88/28/01/1061882801.db2.gz HKOUWLMTIOHGFA-YSFYHYPLSA-N 1 2 491.702 2.934 20 0 JFADLO CCCCNC(=O)[C@@H]1CCCN(c2nnc(C)n2C[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC001294339354 1061884287 /nfs/dbraw/zinc/88/42/87/1061884287.db2.gz ZLDQABJPHIZASI-PKTZIBPZSA-N 1 2 454.619 2.793 20 0 JFADLO CC(C)(C)c1nnc(N(CCS(C)(=O)=O)C2CC2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001286999659 1061913005 /nfs/dbraw/zinc/91/30/05/1061913005.db2.gz VJAKWAYVDYCHHI-UHFFFAOYSA-N 1 2 456.616 2.882 20 0 JFADLO CC(C)(C)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1Cc1cccc(CS(C)(=O)=O)c1 ZINC001287008481 1061934553 /nfs/dbraw/zinc/93/45/53/1061934553.db2.gz DJFMIJSCZBCOPV-UHFFFAOYSA-N 1 2 468.627 2.890 20 0 JFADLO CC(C)(C)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1CCNC(=O)c1ccn[nH]1 ZINC001287009021 1061936297 /nfs/dbraw/zinc/93/62/97/1061936297.db2.gz JTQAIDIKWDHEGW-UHFFFAOYSA-N 1 2 471.009 2.704 20 0 JFADLO Cc1ccccc1OCCCN(C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001290201647 1061943833 /nfs/dbraw/zinc/94/38/33/1061943833.db2.gz IHMFCTYBKVUALX-UHFFFAOYSA-N 1 2 484.645 2.839 20 0 JFADLO Cc1cn(C(C)(C)C(=O)N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c[nH+]1 ZINC001290225850 1061974536 /nfs/dbraw/zinc/97/45/36/1061974536.db2.gz JDMSGAYYZSLIJC-UHFFFAOYSA-N 1 2 453.465 2.608 20 0 JFADLO Cc1cn2c([nH+]1)[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccoc1C)CCC2 ZINC001290287599 1062017712 /nfs/dbraw/zinc/01/77/12/1062017712.db2.gz PPALHNYJWHNQPM-CRAIPNDOSA-N 1 2 461.592 2.509 20 0 JFADLO Cc1cn2c([nH+]1)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OC(C)(C)C)CC1)CCC2 ZINC001290287884 1062017986 /nfs/dbraw/zinc/01/79/86/1062017986.db2.gz UMCCMARTEZGQNC-ROUUACIJSA-N 1 2 493.678 2.755 20 0 JFADLO Cc1cn2c([nH+]1)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccoc1C)CCC2 ZINC001290287602 1062018312 /nfs/dbraw/zinc/01/83/12/1062018312.db2.gz PPALHNYJWHNQPM-YJBOKZPZSA-N 1 2 461.592 2.509 20 0 JFADLO CCCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001294500227 1062037569 /nfs/dbraw/zinc/03/75/69/1062037569.db2.gz UQWWJSTXAISMOC-UHFFFAOYSA-N 1 2 469.615 2.786 20 0 JFADLO CCCN(Cc1ccc(F)cc1F)c1nnc(CN2CCCC2=O)n1CC[N@@H+]1CCOC[C@H]1C ZINC001294537984 1062070543 /nfs/dbraw/zinc/07/05/43/1062070543.db2.gz NRWYEBWQHBQAFX-GOSISDBHSA-N 1 2 476.572 2.816 20 0 JFADLO CCCN(Cc1ccc(F)cc1F)c1nnc(CN2CCCC2=O)n1CC[N@H+]1CCOC[C@H]1C ZINC001294537984 1062070561 /nfs/dbraw/zinc/07/05/61/1062070561.db2.gz NRWYEBWQHBQAFX-GOSISDBHSA-N 1 2 476.572 2.816 20 0 JFADLO CCCN(Cc1ccc(F)cc1F)c1nnc(CN2CCCC2=O)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001294537985 1062070921 /nfs/dbraw/zinc/07/09/21/1062070921.db2.gz NRWYEBWQHBQAFX-SFHVURJKSA-N 1 2 476.572 2.816 20 0 JFADLO CCCN(Cc1ccc(F)cc1F)c1nnc(CN2CCCC2=O)n1CC[N@H+]1CCOC[C@@H]1C ZINC001294537985 1062070943 /nfs/dbraw/zinc/07/09/43/1062070943.db2.gz NRWYEBWQHBQAFX-SFHVURJKSA-N 1 2 476.572 2.816 20 0 JFADLO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1c(Br)nc2n1CCC2 ZINC001294565096 1062082125 /nfs/dbraw/zinc/08/21/25/1062082125.db2.gz WMIHQCCYUORZQF-UHFFFAOYSA-N 1 2 452.784 2.797 20 0 JFADLO Cc1nc(Cc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)cs1 ZINC001290411026 1062131119 /nfs/dbraw/zinc/13/11/19/1062131119.db2.gz UXKGWNZUZRWPNI-KDOFPFPSSA-N 1 2 475.569 2.527 20 0 JFADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC001294660531 1062209792 /nfs/dbraw/zinc/20/97/92/1062209792.db2.gz QIIVPZNFKIIQIM-INIZCTEOSA-N 1 2 450.992 2.953 20 0 JFADLO COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCC[C@@H](Cc4[nH+]ccn4C)C3)CC2)c1 ZINC001294660554 1062210350 /nfs/dbraw/zinc/21/03/50/1062210350.db2.gz QUQCJTNAJZCABS-SFHVURJKSA-N 1 2 454.571 2.771 20 0 JFADLO CC(C)(C)[S@@](=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001287086345 1062262555 /nfs/dbraw/zinc/26/25/55/1062262555.db2.gz JJJPDURFIACLQP-KKIUXKEOSA-N 1 2 465.689 2.636 20 0 JFADLO CC(C)(C)[S@](=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001287088635 1062272237 /nfs/dbraw/zinc/27/22/37/1062272237.db2.gz PREZIINWJKMLFS-UJQZNKFNSA-N 1 2 481.066 2.699 20 0 JFADLO CC(C)(C)[S@@](=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001287089141 1062274882 /nfs/dbraw/zinc/27/48/82/1062274882.db2.gz QMAXRJMLKUAHIC-MKWUPHBFSA-N 1 2 467.680 2.616 20 0 JFADLO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[NH+](CC3CC3)CC2)n1CCS(=O)(=O)C(C)(C)C ZINC001287089283 1062275538 /nfs/dbraw/zinc/27/55/38/1062275538.db2.gz LTYGJKMXHOIVAV-WOJBJXKFSA-N 1 2 481.707 2.942 20 0 JFADLO Cc1ccc(C(=O)NCCn2c(N3CCN(c4cc[nH+]c(C)n4)CC3)nnc2C(C)(C)C)cc1F ZINC001290496176 1062284882 /nfs/dbraw/zinc/28/48/82/1062284882.db2.gz HJXUMMCWMKSPAR-UHFFFAOYSA-N 1 2 480.592 2.878 20 0 JFADLO Cc1ncc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3Cc3cccc(OCC(N)=O)c3)CC2)s1 ZINC001290497575 1062288848 /nfs/dbraw/zinc/28/88/48/1062288848.db2.gz JOOBNSLMSCBOKG-UHFFFAOYSA-N 1 2 483.642 2.575 20 0 JFADLO Cc1ncc(C[NH+]2CCN(c3nnc(Cc4c(F)cccc4F)n3CC(=O)NC(C)C)CC2)s1 ZINC001290497334 1062289067 /nfs/dbraw/zinc/28/90/67/1062289067.db2.gz ZHKJMBAZRWHEAF-UHFFFAOYSA-N 1 2 489.596 2.759 20 0 JFADLO Cc1ncc(C[NH+]2CCN(c3nnc([C@]4(OC(C)C)CCOC4)n3C[C@@](C)(O)C(C)C)CC2)s1 ZINC001290497849 1062289588 /nfs/dbraw/zinc/28/95/88/1062289588.db2.gz OBUMEPNBKBHSBV-RPWUZVMVSA-N 1 2 492.690 2.813 20 0 JFADLO Cc1ncc(C[NH+]2CCN(c3nnc([C@@]4(OC(C)C)CCOC4)n3C[C@](C)(O)C(C)C)CC2)s1 ZINC001290497847 1062289693 /nfs/dbraw/zinc/28/96/93/1062289693.db2.gz OBUMEPNBKBHSBV-BJKOFHAPSA-N 1 2 492.690 2.813 20 0 JFADLO Cc1ccc(-c2nnc(N3CCN(c4cc[nH+]c(C)n4)CC3)n2CCN(C)CC(F)(F)F)o1 ZINC001290500681 1062291757 /nfs/dbraw/zinc/29/17/57/1062291757.db2.gz DRZDIQOFBKUKQL-UHFFFAOYSA-N 1 2 464.496 2.766 20 0 JFADLO Cc1nc(N2CCN(c3nnc(COc4ccc(F)cc4)n3CCCNC(=O)C(C)C)CC2)cc[nH+]1 ZINC001290500875 1062291795 /nfs/dbraw/zinc/29/17/95/1062291795.db2.gz FRVAXZMLPOHALC-UHFFFAOYSA-N 1 2 496.591 2.584 20 0 JFADLO Cc1nc(N2CCN(c3nnc(CC(C)C)n3CC[C@@H](N3CCOCC3)C(F)(F)F)CC2)cc[nH+]1 ZINC001290501978 1062296121 /nfs/dbraw/zinc/29/61/21/1062296121.db2.gz USABNLGCRCTSEM-LJQANCHMSA-N 1 2 496.582 2.555 20 0 JFADLO Cc1nc(N2CCN(c3nnc(-c4cccn4C)n3CCSC(F)(F)F)CC2)cc[nH+]1 ZINC001290502236 1062297210 /nfs/dbraw/zinc/29/72/10/1062297210.db2.gz ZDCQCVYBCXAYAU-UHFFFAOYSA-N 1 2 452.510 2.962 20 0 JFADLO CCCN1CCCN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(N(C)C)[nH+]c2)CC1=O ZINC001294733879 1062315887 /nfs/dbraw/zinc/31/58/87/1062315887.db2.gz KJPSGIKEGKVEEC-UHFFFAOYSA-N 1 2 477.613 2.836 20 0 JFADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC001294735881 1062322018 /nfs/dbraw/zinc/32/20/18/1062322018.db2.gz UFNQKUTXUUILLN-OAHLLOKOSA-N 1 2 459.344 2.981 20 0 JFADLO Cc1nccnc1CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001290530555 1062333038 /nfs/dbraw/zinc/33/30/38/1062333038.db2.gz SJUICIFBPMIAOR-IBGZPJMESA-N 1 2 469.565 2.667 20 0 JFADLO Cc1nn(C)c(C)c1CN(C)c1nnc(C(C)(C)C)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001290541803 1062342470 /nfs/dbraw/zinc/34/24/70/1062342470.db2.gz LHEDLIUGEPLUBM-UHFFFAOYSA-N 1 2 452.607 2.842 20 0 JFADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)NC1CCN(C(=O)C2CC2)CC1)Cc1ccccc1 ZINC001290543480 1062345255 /nfs/dbraw/zinc/34/52/55/1062345255.db2.gz XTQMUMCNUYENRS-UHFFFAOYSA-N 1 2 458.603 2.531 20 0 JFADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)NC1CCN(C(=O)C2CC2)CC1)Cc1ccccc1 ZINC001290543480 1062345281 /nfs/dbraw/zinc/34/52/81/1062345281.db2.gz XTQMUMCNUYENRS-UHFFFAOYSA-N 1 2 458.603 2.531 20 0 JFADLO Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)[NH+]1CCOCC1 ZINC001290547234 1062347207 /nfs/dbraw/zinc/34/72/07/1062347207.db2.gz MYJDHRWKBZGIAC-INIZCTEOSA-N 1 2 473.572 2.855 20 0 JFADLO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCNc2cccc[nH+]2)CC1 ZINC001287152895 1062527957 /nfs/dbraw/zinc/52/79/57/1062527957.db2.gz KKPIMPIQAZVPHJ-LJQANCHMSA-N 1 2 479.633 2.953 20 0 JFADLO CCCNC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001294872695 1062581507 /nfs/dbraw/zinc/58/15/07/1062581507.db2.gz RRUJBHIQWMJHPS-DENIHFKCSA-N 1 2 469.634 2.835 20 0 JFADLO Cc1nnc(N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001290701619 1062636264 /nfs/dbraw/zinc/63/62/64/1062636264.db2.gz IBPBQTUCABZYMA-HYJWCJBQSA-N 1 2 454.600 2.801 20 0 JFADLO CC(C)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001287201540 1062641488 /nfs/dbraw/zinc/64/14/88/1062641488.db2.gz HSWASGCKLYTXKW-FQEVSTJZSA-N 1 2 474.675 2.626 20 0 JFADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1ccc(C(=O)Nc2cccnc2)cc1 ZINC001290711589 1062644163 /nfs/dbraw/zinc/64/41/63/1062644163.db2.gz HVADVBIRDPKLLM-UHFFFAOYSA-N 1 2 458.522 2.796 20 0 JFADLO CC(C)c1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1CCCNc1cccc[nH+]1 ZINC001287220454 1062704663 /nfs/dbraw/zinc/70/46/63/1062704663.db2.gz YLVYVSZEVNVDIB-UHFFFAOYSA-N 1 2 468.650 2.870 20 0 JFADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2cnc(CNC(=O)OC(C)(C)C)s2)CC1 ZINC001290832840 1062725319 /nfs/dbraw/zinc/72/53/19/1062725319.db2.gz UBBOOTVABLCOSY-UHFFFAOYSA-N 1 2 459.572 2.808 20 0 JFADLO Cc1nnc(N2CCN([C@@H](C)C(F)(F)F)CC2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001290858971 1062742714 /nfs/dbraw/zinc/74/27/14/1062742714.db2.gz YDLWVHHQWIFUDA-FXAWDEMLSA-N 1 2 452.525 2.733 20 0 JFADLO Cc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1Cc1sccc1Br ZINC001290876308 1062760529 /nfs/dbraw/zinc/76/05/29/1062760529.db2.gz MBEKAXJGMNAECC-KRWDZBQOSA-N 1 2 483.480 2.690 20 0 JFADLO Cc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1Cc1sccc1Br ZINC001290876315 1062760911 /nfs/dbraw/zinc/76/09/11/1062760911.db2.gz MBEKAXJGMNAECC-QGZVFWFLSA-N 1 2 483.480 2.690 20 0 JFADLO Cc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001290877222 1062761567 /nfs/dbraw/zinc/76/15/67/1062761567.db2.gz UDYUHTPCVJXQMP-NRFANRHFSA-N 1 2 482.551 2.765 20 0 JFADLO CCCO[C@@H]1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001294999661 1062785589 /nfs/dbraw/zinc/78/55/89/1062785589.db2.gz YXKAPGPMVZEYQO-RQTOMXEWSA-N 1 2 479.666 2.825 20 0 JFADLO CCCO[C@@H]1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001294999661 1062785613 /nfs/dbraw/zinc/78/56/13/1062785613.db2.gz YXKAPGPMVZEYQO-RQTOMXEWSA-N 1 2 479.666 2.825 20 0 JFADLO CCCS(=O)(=O)NC1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001295013235 1062801709 /nfs/dbraw/zinc/80/17/09/1062801709.db2.gz BJCGBHCHJNJBCE-QGZVFWFLSA-N 1 2 463.652 2.599 20 0 JFADLO CC(C)Cc1nnc(N(C)C[C@H](c2cccs2)N2CCOCC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001287359424 1062828571 /nfs/dbraw/zinc/82/85/71/1062828571.db2.gz FKCBRQNWLLRQLL-LEWJYISDSA-N 1 2 476.691 2.769 20 0 JFADLO CC(C)Cc1nnc(N(C)C[C@H](c2cccs2)N2CCOCC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001287359424 1062828596 /nfs/dbraw/zinc/82/85/96/1062828596.db2.gz FKCBRQNWLLRQLL-LEWJYISDSA-N 1 2 476.691 2.769 20 0 JFADLO Cc1cc(Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N(C)CC[NH+]2CCOCC2)on1 ZINC001290964989 1062840110 /nfs/dbraw/zinc/84/01/10/1062840110.db2.gz VZAXSFRCFJZPIJ-IBGZPJMESA-N 1 2 489.621 2.506 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3CCC(=O)N3CCCCC3)CC2)on1 ZINC001290969862 1062843296 /nfs/dbraw/zinc/84/32/96/1062843296.db2.gz LSPXQXPPFAFRSE-UHFFFAOYSA-N 1 2 457.623 2.888 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCSCCCO)CC2)on1 ZINC001290970976 1062846773 /nfs/dbraw/zinc/84/67/73/1062846773.db2.gz YHRZDDIJWLAXTF-NHCUHLMSSA-N 1 2 492.690 2.931 20 0 JFADLO CCN(C)C(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001295055010 1062858658 /nfs/dbraw/zinc/85/86/58/1062858658.db2.gz FATYLDJLZOQAPW-SFHVURJKSA-N 1 2 485.564 2.654 20 0 JFADLO CC(C)Cc1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001287427775 1062867474 /nfs/dbraw/zinc/86/74/74/1062867474.db2.gz TVCMJFORVXEGNN-FQEVSTJZSA-N 1 2 460.648 2.780 20 0 JFADLO COc1ccc([C@H]2[C@@H](C(=O)N3CC[NH+](Cc4cccc(OC)c4)CC3)CCC(=O)N2C)cc1 ZINC001287441262 1062873259 /nfs/dbraw/zinc/87/32/59/1062873259.db2.gz RACAXWVBOGABSH-ZCYQVOJMSA-N 1 2 451.567 2.958 20 0 JFADLO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001287463687 1062906056 /nfs/dbraw/zinc/90/60/56/1062906056.db2.gz DBUCDSHTXGRWCF-IBGZPJMESA-N 1 2 462.639 2.787 20 0 JFADLO CCN(C)C(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001295084311 1062918961 /nfs/dbraw/zinc/91/89/61/1062918961.db2.gz RFUMPVNIOSTKBQ-UHFFFAOYSA-N 1 2 477.613 2.976 20 0 JFADLO CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001295102146 1062931787 /nfs/dbraw/zinc/93/17/87/1062931787.db2.gz YMVKBNDGXHPPSQ-INIZCTEOSA-N 1 2 452.563 2.919 20 0 JFADLO CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001295102146 1062931816 /nfs/dbraw/zinc/93/18/16/1062931816.db2.gz YMVKBNDGXHPPSQ-INIZCTEOSA-N 1 2 452.563 2.919 20 0 JFADLO CC(C)Cc1nnc(N2CCN(Cc3cccc(F)c3)C(=O)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001287481944 1062937632 /nfs/dbraw/zinc/93/76/32/1062937632.db2.gz OKEGXXSTVXPMGG-UHFFFAOYSA-N 1 2 465.577 2.974 20 0 JFADLO CC(C)NC(=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001291041887 1062970625 /nfs/dbraw/zinc/97/06/25/1062970625.db2.gz HOFGVJZIFGVDCG-URVUXULASA-N 1 2 454.619 2.942 20 0 JFADLO CC(C)NC(=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001291041887 1062970650 /nfs/dbraw/zinc/97/06/50/1062970650.db2.gz HOFGVJZIFGVDCG-URVUXULASA-N 1 2 454.619 2.942 20 0 JFADLO CC(C)NC(=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001291042715 1062971156 /nfs/dbraw/zinc/97/11/56/1062971156.db2.gz SOBTYQHFNIMWLV-UXHICEINSA-N 1 2 454.619 2.922 20 0 JFADLO CCN(c1nnc(-c2cccn2C)n1C[C@H](c1ccsc1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295185444 1063008671 /nfs/dbraw/zinc/00/86/71/1063008671.db2.gz UJGMEIUHRGFDLV-PKOBYXMFSA-N 1 2 462.645 2.661 20 0 JFADLO CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001295188517 1063011317 /nfs/dbraw/zinc/01/13/17/1063011317.db2.gz YRJLABUAFSSRHQ-BGYRXZFFSA-N 1 2 451.571 2.986 20 0 JFADLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3F)n2CCOCC(F)F)CC1 ZINC001291095159 1063054068 /nfs/dbraw/zinc/05/40/68/1063054068.db2.gz GSGJVHVJNFFZTI-SFHVURJKSA-N 1 2 494.562 2.889 20 0 JFADLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2nnc(-c3cccnc3)n2CCCOCC(F)F)CC1 ZINC001291096116 1063057187 /nfs/dbraw/zinc/05/71/87/1063057187.db2.gz YKQMDCPJZRLPBU-IBGZPJMESA-N 1 2 491.587 2.535 20 0 JFADLO CCN(c1nnc(COc2ccc(OC)cc2)n1CC[NH+]1CCN(C(C)=O)CC1)C1CCCC1 ZINC001295258521 1063075533 /nfs/dbraw/zinc/07/55/33/1063075533.db2.gz NOPPBLBYGWQHAX-UHFFFAOYSA-N 1 2 470.618 2.799 20 0 JFADLO CC(C)C[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)Cc2cccs2)CC1 ZINC001287769325 1063096067 /nfs/dbraw/zinc/09/60/67/1063096067.db2.gz MUZJJHPBWVKRTK-MOPGFXCFSA-N 1 2 465.689 2.899 20 0 JFADLO CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)c(Cl)c2)CC1 ZINC001287771524 1063099192 /nfs/dbraw/zinc/09/91/92/1063099192.db2.gz VEEZKPMWTHQJEV-QGZVFWFLSA-N 1 2 470.014 2.799 20 0 JFADLO CC(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C)CC1)[NH+]1CCOCC1 ZINC001291109637 1063105357 /nfs/dbraw/zinc/10/53/57/1063105357.db2.gz PEOSZKVQQXGUQG-UXHICEINSA-N 1 2 455.607 2.909 20 0 JFADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001291110847 1063109626 /nfs/dbraw/zinc/10/96/26/1063109626.db2.gz LAWOKRXHCPVTTA-OALUTQOASA-N 1 2 475.663 2.948 20 0 JFADLO CCN(CC(C)C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001295276880 1063118818 /nfs/dbraw/zinc/11/88/18/1063118818.db2.gz UQKRFOISYMSQMI-UHFFFAOYSA-N 1 2 464.574 2.688 20 0 JFADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001291145725 1063229219 /nfs/dbraw/zinc/22/92/19/1063229219.db2.gz OYIZJFXVQZDNBC-FQEVSTJZSA-N 1 2 497.669 2.813 20 0 JFADLO C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1(C)C ZINC001291147472 1063233312 /nfs/dbraw/zinc/23/33/12/1063233312.db2.gz YXVJLMWHFDUENR-GOSISDBHSA-N 1 2 455.607 2.909 20 0 JFADLO C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCOC(C)(C)C2)CC1(C)C ZINC001291147472 1063233335 /nfs/dbraw/zinc/23/33/35/1063233335.db2.gz YXVJLMWHFDUENR-GOSISDBHSA-N 1 2 455.607 2.909 20 0 JFADLO C[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccc(N(C)C)[nH+]c2)[C@@H]1C ZINC001291151145 1063239612 /nfs/dbraw/zinc/23/96/12/1063239612.db2.gz PCBHUDYWVGLKOG-QZTJIDSGSA-N 1 2 483.642 2.939 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2CC2CC(F)(F)C2)CC1 ZINC001295335575 1063253348 /nfs/dbraw/zinc/25/33/48/1063253348.db2.gz BQBDJPONVMXXIR-UHFFFAOYSA-N 1 2 450.534 2.882 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccnc3)n2Cc2cc(F)ccc2OC)CC1 ZINC001295335660 1063254092 /nfs/dbraw/zinc/25/40/92/1063254092.db2.gz DXMATVWMUOSFKS-UHFFFAOYSA-N 1 2 481.576 2.527 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CCc2ccn(C)n2)CC1 ZINC001295335708 1063254189 /nfs/dbraw/zinc/25/41/89/1063254189.db2.gz FJDINFLVYXCRLZ-UHFFFAOYSA-N 1 2 485.036 2.565 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3C)n2Cc2c(C)nn(C)c2C)CC1 ZINC001295335929 1063255185 /nfs/dbraw/zinc/25/51/85/1063255185.db2.gz IJVMLJRXZSYFHG-UHFFFAOYSA-N 1 2 478.645 2.643 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2CCN(C)c2ccccc2)CC1 ZINC001295336167 1063256489 /nfs/dbraw/zinc/25/64/89/1063256489.db2.gz NMHVIWLVBFBTHV-UHFFFAOYSA-N 1 2 479.629 2.973 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccn3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC001295336610 1063258732 /nfs/dbraw/zinc/25/87/32/1063258732.db2.gz SODGPCBFYSUYSK-FYYLOGMGSA-N 1 2 483.661 2.926 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)Oc2cccc(F)c2)CC1 ZINC001295336636 1063258867 /nfs/dbraw/zinc/25/88/67/1063258867.db2.gz UAKHMUSXPMBPCI-HXUWFJFHSA-N 1 2 495.603 2.937 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCC=CO2)CC1 ZINC001295336673 1063259615 /nfs/dbraw/zinc/25/96/15/1063259615.db2.gz VKAXQFSCDISXAE-OAQYLSRUSA-N 1 2 498.628 2.645 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CC[C@](C)(O)c2ccccc2)CC1 ZINC001295336806 1063259993 /nfs/dbraw/zinc/25/99/93/1063259993.db2.gz WMNWDCXOOYWUQX-SANMLTNESA-N 1 2 479.629 2.561 20 0 JFADLO C[C@@H]1C[NH+](C(C)(C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCS(=O)CC2)C[C@@H](C)O1 ZINC001291188440 1063303526 /nfs/dbraw/zinc/30/35/26/1063303526.db2.gz KDQFHMWDGILWCS-QZTJIDSGSA-N 1 2 496.077 2.967 20 0 JFADLO C[C@@H]1CN(c2ccc(Cn3c(Cc4ccsc4)nnc3N(C)CC(=O)NC(C)(C)C)c[nH+]2)CCO1 ZINC001291194892 1063330743 /nfs/dbraw/zinc/33/07/43/1063330743.db2.gz GWFFKNLNHASPJX-GOSISDBHSA-N 1 2 497.669 2.950 20 0 JFADLO C[C@H]1CN(c2ccc(Cn3c(N(C)CCc4cnccn4)nnc3C(C)(C)C)c[nH+]2)CCO1 ZINC001291195713 1063335238 /nfs/dbraw/zinc/33/52/38/1063335238.db2.gz WYLQONPTOFMJDQ-SFHVURJKSA-N 1 2 450.591 2.713 20 0 JFADLO C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@@H+]2CCOC(C)(C)C2)CCCO1 ZINC001291199405 1063353002 /nfs/dbraw/zinc/35/30/02/1063353002.db2.gz MTLWRQJQFSQTEQ-GOSISDBHSA-N 1 2 491.036 2.588 20 0 JFADLO C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@H+]2CCOC(C)(C)C2)CCCO1 ZINC001291199405 1063353022 /nfs/dbraw/zinc/35/30/22/1063353022.db2.gz MTLWRQJQFSQTEQ-GOSISDBHSA-N 1 2 491.036 2.588 20 0 JFADLO COc1ccc(C2(C(=O)N3CC[NH+](CCOc4cccc(OC)c4)CC3)CCOCC2)cc1 ZINC001295384879 1063360427 /nfs/dbraw/zinc/36/04/27/1063360427.db2.gz QTXUQNQZWQZMBG-UHFFFAOYSA-N 1 2 454.567 2.975 20 0 JFADLO COc1cccc(OCC[NH+]2CCN(C(=O)[C@@H]3CCN(c4cc(C)cc(C)c4)C3=O)CC2)c1 ZINC001295386595 1063362858 /nfs/dbraw/zinc/36/28/58/1063362858.db2.gz VGWKUDAQXPNLKW-DEOSSOPVSA-N 1 2 451.567 2.888 20 0 JFADLO CC[NH+](CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1ccco1 ZINC001295407713 1063399623 /nfs/dbraw/zinc/39/96/23/1063399623.db2.gz XSIYYTSJRRCWEI-PMACEKPBSA-N 1 2 472.615 2.563 20 0 JFADLO CC[NH+](CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccco1 ZINC001295407714 1063401248 /nfs/dbraw/zinc/40/12/48/1063401248.db2.gz XSIYYTSJRRCWEI-UXHICEINSA-N 1 2 472.615 2.563 20 0 JFADLO CCN(CC)c1ccc(Cn2c(C(C)C)nnc2N2CCC(N(CC)S(C)(=O)=O)CC2)c[nH+]1 ZINC001295410104 1063404066 /nfs/dbraw/zinc/40/40/66/1063404066.db2.gz IEVONGCREGGBGD-UHFFFAOYSA-N 1 2 477.679 2.941 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C)CC2)c[nH+]1 ZINC001295410965 1063406654 /nfs/dbraw/zinc/40/66/54/1063406654.db2.gz PMSWZVSWQVOLEI-ROUUACIJSA-N 1 2 463.652 2.804 20 0 JFADLO CCN(CC)c1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@H](C)O[C@@H](C)C2)c[nH+]1 ZINC001295411181 1063407896 /nfs/dbraw/zinc/40/78/96/1063407896.db2.gz RGYYZOMMRXPVBA-ROUUACIJSA-N 1 2 464.574 2.829 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCS(=O)CC2)c[nH+]1 ZINC001295412564 1063410285 /nfs/dbraw/zinc/41/02/85/1063410285.db2.gz AHPLAZCXGOKGKM-UHFFFAOYSA-N 1 2 484.626 2.821 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(OC)CC2)c[nH+]1 ZINC001295413972 1063415796 /nfs/dbraw/zinc/41/57/96/1063415796.db2.gz DJWXRGKNJIWXLP-NTKDMRAZSA-N 1 2 455.607 2.914 20 0 JFADLO CCN(CC)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@H](C)OC(C)(C)C2)c[nH+]1 ZINC001295417987 1063422699 /nfs/dbraw/zinc/42/26/99/1063422699.db2.gz BOTCQZQHWWCYHD-SFHVURJKSA-N 1 2 455.607 2.694 20 0 JFADLO CCN(CC)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c[nH+]1 ZINC001295418655 1063425872 /nfs/dbraw/zinc/42/58/72/1063425872.db2.gz FBAVBFQKWSODRN-AREMUKBSSA-N 1 2 496.660 2.971 20 0 JFADLO CCN(CC)c1ccc(Cn2c(N3CCN([C@@H](C)C(=O)NC4CC4)CC3)nnc2C(C)(C)C)c[nH+]1 ZINC001295419070 1063427273 /nfs/dbraw/zinc/42/72/73/1063427273.db2.gz MNEZQZOFDFIJEV-IBGZPJMESA-N 1 2 482.677 2.654 20 0 JFADLO CCN(CC)c1ccc(Cn2c(CC3CCCC3)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)c[nH+]1 ZINC001295419747 1063429185 /nfs/dbraw/zinc/42/91/85/1063429185.db2.gz RQKTZOZSONAINX-NHCUHLMSSA-N 1 2 470.618 2.661 20 0 JFADLO CCN(CC)c1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC(C(=O)NC)CC2)c[nH+]1 ZINC001295419850 1063430609 /nfs/dbraw/zinc/43/06/09/1063430609.db2.gz JYSRWSISBMEGLA-UHFFFAOYSA-N 1 2 462.602 2.516 20 0 JFADLO CCN(CC)c1ccc(Cn2c(N3CCC([C@@]4(C)NC(=O)NC4=O)CC3)nnc2C(C)(C)C)c[nH+]1 ZINC001295420149 1063432838 /nfs/dbraw/zinc/43/28/38/1063432838.db2.gz XLLYFULXNWVEFF-RUZDIDTESA-N 1 2 482.633 2.680 20 0 JFADLO COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)cc1 ZINC001295428025 1063439536 /nfs/dbraw/zinc/43/95/36/1063439536.db2.gz KORMOWQSFDQACA-NRFANRHFSA-N 1 2 455.486 2.596 20 0 JFADLO COc1ccc(C(=O)Nc2cc(F)ccc2C(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)cc1 ZINC001295428029 1063439590 /nfs/dbraw/zinc/43/95/90/1063439590.db2.gz KORMOWQSFDQACA-OAQYLSRUSA-N 1 2 455.486 2.596 20 0 JFADLO O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001295430550 1063440914 /nfs/dbraw/zinc/44/09/14/1063440914.db2.gz SYAYNMZSLZPFEB-OAHLLOKOSA-N 1 2 454.367 2.999 20 0 JFADLO C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC(=O)N1C ZINC001291246486 1063519757 /nfs/dbraw/zinc/51/97/57/1063519757.db2.gz QIDJSTUSHHMGIL-LZQZEXGQSA-N 1 2 462.545 2.768 20 0 JFADLO C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)CC(C)(C)C1)[NH+]1CCOCC1 ZINC001291277795 1063593220 /nfs/dbraw/zinc/59/32/20/1063593220.db2.gz KDIQIRXXHZQXMR-ROUUACIJSA-N 1 2 460.648 2.863 20 0 JFADLO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(C)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001295578629 1063618265 /nfs/dbraw/zinc/61/82/65/1063618265.db2.gz MSGLUWSPGMXNPY-UHFFFAOYSA-N 1 2 463.586 2.595 20 0 JFADLO C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC[N@@H+]2CCOCC2(C)C)C[C@H]1NC(=O)OC(C)(C)C ZINC001291286989 1063635514 /nfs/dbraw/zinc/63/55/14/1063635514.db2.gz SCQCQDUEXWBHLI-IPMKNSEASA-N 1 2 478.638 2.590 20 0 JFADLO C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC[N@H+]2CCOCC2(C)C)C[C@H]1NC(=O)OC(C)(C)C ZINC001291286989 1063635522 /nfs/dbraw/zinc/63/55/22/1063635522.db2.gz SCQCQDUEXWBHLI-IPMKNSEASA-N 1 2 478.638 2.590 20 0 JFADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccccc2Cl)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291289843 1063659404 /nfs/dbraw/zinc/65/94/04/1063659404.db2.gz QVPGWTLESLUYHU-OKZBNKHCSA-N 1 2 484.066 2.967 20 0 JFADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccccc2Cl)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291289843 1063659418 /nfs/dbraw/zinc/65/94/18/1063659418.db2.gz QVPGWTLESLUYHU-OKZBNKHCSA-N 1 2 484.066 2.967 20 0 JFADLO C[C@H]1COCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001291301056 1063706942 /nfs/dbraw/zinc/70/69/42/1063706942.db2.gz WFLDZNBVNFXIGN-OALUTQOASA-N 1 2 464.010 2.952 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001291308587 1063730139 /nfs/dbraw/zinc/73/01/39/1063730139.db2.gz PSNKHHIVZDUGTO-IFMALSPDSA-N 1 2 499.660 2.726 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001291308587 1063730155 /nfs/dbraw/zinc/73/01/55/1063730155.db2.gz PSNKHHIVZDUGTO-IFMALSPDSA-N 1 2 499.660 2.726 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001291308589 1063731119 /nfs/dbraw/zinc/73/11/19/1063731119.db2.gz PSNKHHIVZDUGTO-RBBKRZOGSA-N 1 2 499.660 2.726 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001291308589 1063731137 /nfs/dbraw/zinc/73/11/37/1063731137.db2.gz PSNKHHIVZDUGTO-RBBKRZOGSA-N 1 2 499.660 2.726 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CCCOC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001291308686 1063731167 /nfs/dbraw/zinc/73/11/67/1063731167.db2.gz QVCURAXEKIWTBH-FPOVZHCZSA-N 1 2 492.665 2.634 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c([C@H]2CCCOC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001291308686 1063731179 /nfs/dbraw/zinc/73/11/79/1063731179.db2.gz QVCURAXEKIWTBH-FPOVZHCZSA-N 1 2 492.665 2.634 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001291309209 1063733312 /nfs/dbraw/zinc/73/33/12/1063733312.db2.gz BAUNDFRCIJBPJM-GOSISDBHSA-N 1 2 491.036 2.713 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001291309209 1063733325 /nfs/dbraw/zinc/73/33/25/1063733325.db2.gz BAUNDFRCIJBPJM-GOSISDBHSA-N 1 2 491.036 2.713 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(COc2ccc(Br)cc2)nnc1Nc1cnn(C)c1 ZINC001291309259 1063734010 /nfs/dbraw/zinc/73/40/10/1063734010.db2.gz CDLKNXGNANLKTR-HNNXBMFYSA-N 1 2 476.379 2.817 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(COc2ccc(Br)cc2)nnc1Nc1cnn(C)c1 ZINC001291309259 1063734027 /nfs/dbraw/zinc/73/40/27/1063734027.db2.gz CDLKNXGNANLKTR-HNNXBMFYSA-N 1 2 476.379 2.817 20 0 JFADLO C[C@@H]1SCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)[C@H]1C ZINC001291331404 1063787100 /nfs/dbraw/zinc/78/71/00/1063787100.db2.gz ITIIRNSTXVUDHR-JSFADZTLSA-N 1 2 481.663 2.952 20 0 JFADLO CCC(=O)N[C@H]1CCCN(c2nnc(CCCc3ccccc3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001291346469 1063845007 /nfs/dbraw/zinc/84/50/07/1063845007.db2.gz SATNMDCXINWKAO-GMAHTHKFSA-N 1 2 468.646 2.669 20 0 JFADLO CCC(=O)N[C@H]1CCCN(c2nnc(CCCc3ccccc3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001291346468 1063845090 /nfs/dbraw/zinc/84/50/90/1063845090.db2.gz SATNMDCXINWKAO-GGAORHGYSA-N 1 2 468.646 2.669 20 0 JFADLO CCN(CCn1c(-c2ccccc2)nnc1N(C)CC[NH+]1CCOCC1)C(=O)OC(C)(C)C ZINC001295834042 1063849375 /nfs/dbraw/zinc/84/93/75/1063849375.db2.gz NWCLBSVMMXPYAF-UHFFFAOYSA-N 1 2 458.607 2.971 20 0 JFADLO CC[C@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001291362993 1063879806 /nfs/dbraw/zinc/87/98/06/1063879806.db2.gz PRRQTAXDNHTQPI-FQEVSTJZSA-N 1 2 452.397 2.637 20 0 JFADLO CC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001291365249 1063885907 /nfs/dbraw/zinc/88/59/07/1063885907.db2.gz GDHZTJRGMMTQQM-MHECFPHRSA-N 1 2 490.052 2.678 20 0 JFADLO CC[N@H+](CCn1c(COc2ccc(C)cc2)nnc1N1CCS(=O)(=O)CC1)CCC(F)(F)F ZINC001295865471 1063897837 /nfs/dbraw/zinc/89/78/37/1063897837.db2.gz KWCWSOYCSKYQBQ-UHFFFAOYSA-N 1 2 489.564 2.675 20 0 JFADLO CC[N@@H+](CCn1c(COc2ccc(C)cc2)nnc1N1CCS(=O)(=O)CC1)CCC(F)(F)F ZINC001295865471 1063897845 /nfs/dbraw/zinc/89/78/45/1063897845.db2.gz KWCWSOYCSKYQBQ-UHFFFAOYSA-N 1 2 489.564 2.675 20 0 JFADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)CNC(=O)N2CCc3ccccc3C2)c2ccc(Cl)cc2)C1 ZINC001295868365 1063904328 /nfs/dbraw/zinc/90/43/28/1063904328.db2.gz ZPDOHFMTARQJIU-GGAORHGYSA-N 1 2 456.974 2.596 20 0 JFADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)CNC(=O)N2CCc3ccccc3C2)c2ccc(Cl)cc2)C1 ZINC001295868365 1063904340 /nfs/dbraw/zinc/90/43/40/1063904340.db2.gz ZPDOHFMTARQJIU-GGAORHGYSA-N 1 2 456.974 2.596 20 0 JFADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)CNC(=O)N2CCc3ccccc3C2)c2ccc(Cl)cc2)C1 ZINC001295868363 1063904579 /nfs/dbraw/zinc/90/45/79/1063904579.db2.gz ZPDOHFMTARQJIU-FYYLOGMGSA-N 1 2 456.974 2.596 20 0 JFADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)CNC(=O)N2CCc3ccccc3C2)c2ccc(Cl)cc2)C1 ZINC001295868363 1063904593 /nfs/dbraw/zinc/90/45/93/1063904593.db2.gz ZPDOHFMTARQJIU-FYYLOGMGSA-N 1 2 456.974 2.596 20 0 JFADLO CC[C@@](C)(O)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001291380268 1063916209 /nfs/dbraw/zinc/91/62/09/1063916209.db2.gz NSOKMVRIOSJLOO-HHJKRLRDSA-N 1 2 485.633 2.931 20 0 JFADLO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc3ccccc3n2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001295876854 1063916903 /nfs/dbraw/zinc/91/69/03/1063916903.db2.gz HBNKAOFWBLLUKT-UHFFFAOYSA-N 1 2 479.610 2.874 20 0 JFADLO CCN(CCS(C)(=O)=O)c1nnc(-c2c[nH]c3ccccc32)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001295880907 1063925631 /nfs/dbraw/zinc/92/56/31/1063925631.db2.gz IJSBEZLGYWWFFB-LJQANCHMSA-N 1 2 488.658 2.654 20 0 JFADLO CCN(CCS(C)(=O)=O)c1nnc(-c2c[nH]c3ccccc32)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001295880907 1063925639 /nfs/dbraw/zinc/92/56/39/1063925639.db2.gz IJSBEZLGYWWFFB-LJQANCHMSA-N 1 2 488.658 2.654 20 0 JFADLO CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC001291387076 1063935077 /nfs/dbraw/zinc/93/50/77/1063935077.db2.gz GQXBBRWWMXQFBF-ZBLYBZFDSA-N 1 2 498.672 2.885 20 0 JFADLO CCn1cc([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CCCc3cccc(C)[nH+]3)CCO2)cn1 ZINC001295896813 1063950623 /nfs/dbraw/zinc/95/06/23/1063950623.db2.gz MNGCOYKEYHVPBI-NRFANRHFSA-N 1 2 466.590 2.547 20 0 JFADLO CC[C@H](C)[C@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001291397458 1063954152 /nfs/dbraw/zinc/95/41/52/1063954152.db2.gz KPYGRCXARNBYRE-VVZHRXSXSA-N 1 2 478.726 2.895 20 0 JFADLO CC[C@H](C)[C@@](C)(O)Cn1c(Cc2ccsc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001291402281 1063965048 /nfs/dbraw/zinc/96/50/48/1063965048.db2.gz VTNGYOVYDVDLCQ-DFIYOIEZSA-N 1 2 488.702 2.860 20 0 JFADLO CC[C@H](C)c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001291434746 1064015451 /nfs/dbraw/zinc/01/54/51/1064015451.db2.gz SLJLSZDKZRMBCD-SFHVURJKSA-N 1 2 471.631 2.886 20 0 JFADLO CC[C@H](C)c1nnc(N(C)Cc2cnn(C)c2C)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001291438450 1064017979 /nfs/dbraw/zinc/01/79/79/1064017979.db2.gz DIAZMWGMLKSNRV-LPHOPBHVSA-N 1 2 452.611 2.971 20 0 JFADLO CC[C@H](C)c1nnc(N(C)Cc2cnn(C)c2C)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001291438450 1064017986 /nfs/dbraw/zinc/01/79/86/1064017986.db2.gz DIAZMWGMLKSNRV-LPHOPBHVSA-N 1 2 452.611 2.971 20 0 JFADLO CC[C@@H](C)c1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001291456884 1064022962 /nfs/dbraw/zinc/02/29/62/1064022962.db2.gz ZNSYQWGETWTWAJ-YADHBBJMSA-N 1 2 488.702 2.875 20 0 JFADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C(C)(C)[C@H](O)c1ccc(OCc2ccccc2)cc1 ZINC001295984234 1064041299 /nfs/dbraw/zinc/04/12/99/1064041299.db2.gz FJBGSSFRFKVMSQ-FCHUYYIVSA-N 1 2 451.523 2.949 20 0 JFADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C(C)(C)[C@H](O)c1ccc(OCc2ccccc2)cc1 ZINC001295984234 1064041312 /nfs/dbraw/zinc/04/13/12/1064041312.db2.gz FJBGSSFRFKVMSQ-FCHUYYIVSA-N 1 2 451.523 2.949 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1CCCNc1cccc[nH+]1 ZINC001291484467 1064041330 /nfs/dbraw/zinc/04/13/30/1064041330.db2.gz ZQIWWDRDFNJVRZ-IBGZPJMESA-N 1 2 455.607 2.764 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1CCCNc1cccc[nH+]1 ZINC001291484468 1064041392 /nfs/dbraw/zinc/04/13/92/1064041392.db2.gz ZQIWWDRDFNJVRZ-LJQANCHMSA-N 1 2 455.607 2.764 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC(F)F)cc2)C[C@H]1C ZINC001295996460 1064052720 /nfs/dbraw/zinc/05/27/20/1064052720.db2.gz LCOZGRAQWUVJKV-SOLBZPMBSA-N 1 2 483.585 2.749 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC(F)F)cc2)C[C@H]1C ZINC001295996460 1064052724 /nfs/dbraw/zinc/05/27/24/1064052724.db2.gz LCOZGRAQWUVJKV-SOLBZPMBSA-N 1 2 483.585 2.749 20 0 JFADLO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCS(=O)(=O)CC)C[C@@H]1C ZINC001295999501 1064056682 /nfs/dbraw/zinc/05/66/82/1064056682.db2.gz BFABCIVJHYTLSM-JKSUJKDBSA-N 1 2 455.575 2.501 20 0 JFADLO CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCS(=O)(=O)CC)C[C@@H]1C ZINC001295999501 1064056693 /nfs/dbraw/zinc/05/66/93/1064056693.db2.gz BFABCIVJHYTLSM-JKSUJKDBSA-N 1 2 455.575 2.501 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CC2(S(C)(=O)=O)CC2)C[C@H]1C ZINC001296008307 1064062002 /nfs/dbraw/zinc/06/20/02/1064062002.db2.gz AXVDVVZJQBDPIH-UXHICEINSA-N 1 2 475.659 2.970 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CC2(S(C)(=O)=O)CC2)C[C@H]1C ZINC001296008307 1064062011 /nfs/dbraw/zinc/06/20/11/1064062011.db2.gz AXVDVVZJQBDPIH-UXHICEINSA-N 1 2 475.659 2.970 20 0 JFADLO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cn3ccc4ccccc43)n2CCCS(C)(=O)=O)C[C@H]1C ZINC001296012558 1064073034 /nfs/dbraw/zinc/07/30/34/1064073034.db2.gz YWZMSCRXEAFCHJ-RTBURBONSA-N 1 2 458.632 2.635 20 0 JFADLO CC[N@H+]1C[C@@H](C)N(c2nnc(Cn3ccc4ccccc43)n2CCCS(C)(=O)=O)C[C@H]1C ZINC001296012558 1064073043 /nfs/dbraw/zinc/07/30/43/1064073043.db2.gz YWZMSCRXEAFCHJ-RTBURBONSA-N 1 2 458.632 2.635 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1Cc1cccc(OCC(N)=O)c1 ZINC001291524136 1064074756 /nfs/dbraw/zinc/07/47/56/1064074756.db2.gz GUDAGIAUORYMEQ-QGZVFWFLSA-N 1 2 463.586 2.728 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC001291607550 1064144436 /nfs/dbraw/zinc/14/44/36/1064144436.db2.gz IHJMUROMNMIBHS-ICSRJNTNSA-N 1 2 465.577 2.997 20 0 JFADLO CC[C@H](C)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001291630883 1064177197 /nfs/dbraw/zinc/17/71/97/1064177197.db2.gz VPLIHFCCEGUJSB-LPHOPBHVSA-N 1 2 474.009 2.755 20 0 JFADLO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1Cc1ccc(C)n(C)c1=O ZINC001291637942 1064185214 /nfs/dbraw/zinc/18/52/14/1064185214.db2.gz KPVSTIUSQMHADK-MRXNPFEDSA-N 1 2 455.632 2.934 20 0 JFADLO CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@H](OC)C(C)C ZINC001291639049 1064186916 /nfs/dbraw/zinc/18/69/16/1064186916.db2.gz LFXHMJMKPFFHBJ-BDTNDASRSA-N 1 2 450.672 2.694 20 0 JFADLO CC[C@H](C)c1nnc(N2CCNC(=O)[C@@H]2CC)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001291650829 1064203907 /nfs/dbraw/zinc/20/39/07/1064203907.db2.gz USEKAYMEIQCKKL-ILWGZMRPSA-N 1 2 454.619 2.888 20 0 JFADLO CC[C@@H](C)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291733460 1064230990 /nfs/dbraw/zinc/23/09/90/1064230990.db2.gz XPDQJBONZYVWGN-CTNGQTDRSA-N 1 2 491.681 2.997 20 0 JFADLO CC[C@H](C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@@H+]1CCOC[C@H]1C ZINC001291743717 1064232786 /nfs/dbraw/zinc/23/27/86/1064232786.db2.gz HZCNPSPBGSJWCJ-RBUKOAKNSA-N 1 2 467.618 2.785 20 0 JFADLO CC[C@H](C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@H+]1CCOC[C@H]1C ZINC001291743717 1064232789 /nfs/dbraw/zinc/23/27/89/1064232789.db2.gz HZCNPSPBGSJWCJ-RBUKOAKNSA-N 1 2 467.618 2.785 20 0 JFADLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCC[C@H](C(=O)Nc3cccc(C)n3)C1)CC2 ZINC001291767480 1064249386 /nfs/dbraw/zinc/24/93/86/1064249386.db2.gz VSURAKBGTNDHFA-IBGZPJMESA-N 1 2 452.555 2.643 20 0 JFADLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCC[C@H](C(=O)Nc3cccc(C)n3)C1)CC2 ZINC001291767480 1064249392 /nfs/dbraw/zinc/24/93/92/1064249392.db2.gz VSURAKBGTNDHFA-IBGZPJMESA-N 1 2 452.555 2.643 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CCS(=O)(=O)c2ccccc2)C[C@H]1C ZINC001296155631 1064266867 /nfs/dbraw/zinc/26/68/67/1064266867.db2.gz QSXPUJPEOPNNLY-LJQANCHMSA-N 1 2 454.600 2.653 20 0 JFADLO CC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CCS(=O)(=O)c2ccccc2)C[C@H]1C ZINC001296155631 1064266876 /nfs/dbraw/zinc/26/68/76/1064266876.db2.gz QSXPUJPEOPNNLY-LJQANCHMSA-N 1 2 454.600 2.653 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1C ZINC001296163837 1064280257 /nfs/dbraw/zinc/28/02/57/1064280257.db2.gz YFPQDVVNWHFQHP-DLBZAZTESA-N 1 2 467.586 2.502 20 0 JFADLO CC[N@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCS(=O)(=O)C2)C[C@@H]1C ZINC001296163837 1064280272 /nfs/dbraw/zinc/28/02/72/1064280272.db2.gz YFPQDVVNWHFQHP-DLBZAZTESA-N 1 2 467.586 2.502 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(Cc3ccncc3)n2CCCS(=O)(=O)c2ccccc2)C[C@H]1C ZINC001296170050 1064293324 /nfs/dbraw/zinc/29/33/24/1064293324.db2.gz OCLZNJOSIGXKHT-HXUWFJFHSA-N 1 2 468.627 2.658 20 0 JFADLO CC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2CCCS(=O)(=O)c2ccccc2)C[C@H]1C ZINC001296170050 1064293340 /nfs/dbraw/zinc/29/33/40/1064293340.db2.gz OCLZNJOSIGXKHT-HXUWFJFHSA-N 1 2 468.627 2.658 20 0 JFADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(C)cc3SC)C2)CC1 ZINC001296173117 1064294744 /nfs/dbraw/zinc/29/47/44/1064294744.db2.gz BPOQYBLBSYTYKI-NRFANRHFSA-N 1 2 485.702 2.711 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCS(=O)(=O)CC2CC2)C[C@H]1C ZINC001296173166 1064295515 /nfs/dbraw/zinc/29/55/15/1064295515.db2.gz GFTXWEHIQUQXLM-HXUWFJFHSA-N 1 2 475.659 2.829 20 0 JFADLO CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCS(=O)(=O)CC2CC2)C[C@H]1C ZINC001296173166 1064295529 /nfs/dbraw/zinc/29/55/29/1064295529.db2.gz GFTXWEHIQUQXLM-HXUWFJFHSA-N 1 2 475.659 2.829 20 0 JFADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3Cc3cscc3C(F)(F)F)C2)CC1 ZINC001296173886 1064299842 /nfs/dbraw/zinc/29/98/42/1064299842.db2.gz MRJFGPYCFDTHRP-QGZVFWFLSA-N 1 2 499.607 2.761 20 0 JFADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)Nc4ccc(C)c(C)c4)n3C[C@H](C)COC)C2)CC1 ZINC001296174443 1064301756 /nfs/dbraw/zinc/30/17/56/1064301756.db2.gz QPILIONQBQCFGA-WMZHIEFXSA-N 1 2 483.661 2.646 20 0 JFADLO CC[C@H](C)NC(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001291796016 1064302427 /nfs/dbraw/zinc/30/24/27/1064302427.db2.gz IRIXMCWVNVZAKG-GMAHTHKFSA-N 1 2 497.688 2.863 20 0 JFADLO CC[C@@H](C)NC(=O)CCn1c(-c2ccccc2OC)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001291810715 1064336624 /nfs/dbraw/zinc/33/66/24/1064336624.db2.gz GVVJPFXUJUCMNH-LJQANCHMSA-N 1 2 463.586 2.980 20 0 JFADLO Cc1nc(N2CCN(C(=O)c3ccc(OCC(=O)N4[C@H](C)CCC[C@@H]4C)cc3)CC2)cc[nH+]1 ZINC001296200432 1064375952 /nfs/dbraw/zinc/37/59/52/1064375952.db2.gz SZYIRZFRDKRRHH-KDURUIRLSA-N 1 2 451.571 2.916 20 0 JFADLO CCn1nc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H](OC)C(C)(C)C)c2ccccc2c1=O ZINC001296215789 1064419580 /nfs/dbraw/zinc/41/95/80/1064419580.db2.gz FLCZBMBNFHJYIJ-NRFANRHFSA-N 1 2 497.644 2.504 20 0 JFADLO CC[C@@H](c1nnc(N(C)CC[NH+]2CCOCC2)n1CCNC(=O)C(C)(C)C)c1ccccc1 ZINC001291852627 1064460596 /nfs/dbraw/zinc/46/05/96/1064460596.db2.gz PAZLISMEMYPVMC-OAQYLSRUSA-N 1 2 456.635 2.751 20 0 JFADLO CCC(CC)(Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccc[nH+]2)CC1)OC ZINC001291905430 1064535802 /nfs/dbraw/zinc/53/58/02/1064535802.db2.gz TWLQPBRYUNJLCF-UHFFFAOYSA-N 1 2 464.574 2.852 20 0 JFADLO CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1)OC ZINC001291923169 1064543667 /nfs/dbraw/zinc/54/36/67/1064543667.db2.gz RCEOBKZJHVLLQC-UHFFFAOYSA-N 1 2 469.634 2.598 20 0 JFADLO CCNC(=O)c1cccc(Cn2c(CC(C)C)nnc2N2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC001296281030 1064551797 /nfs/dbraw/zinc/55/17/97/1064551797.db2.gz IHIGPWUENJTKJW-UHFFFAOYSA-N 1 2 462.602 2.700 20 0 JFADLO CCC(CC)(Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)OC ZINC001291942107 1064558566 /nfs/dbraw/zinc/55/85/66/1064558566.db2.gz BCTRQBYEJDTASO-UHFFFAOYSA-N 1 2 467.622 2.770 20 0 JFADLO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1)[NH+]1CCOCC1 ZINC001291951713 1064563325 /nfs/dbraw/zinc/56/33/25/1064563325.db2.gz FDCBGMUUEYWKHC-NRFANRHFSA-N 1 2 496.077 2.970 20 0 JFADLO CCNC(=O)N1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001296301679 1064580518 /nfs/dbraw/zinc/58/05/18/1064580518.db2.gz HCVBKDJTNWPRFQ-RBBKRZOGSA-N 1 2 499.660 2.607 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC(C)(C)OC(C)(C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001292012982 1064638024 /nfs/dbraw/zinc/63/80/24/1064638024.db2.gz GRXCVLWGOGODDH-UHFFFAOYSA-N 1 2 464.655 2.701 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C(C)C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001292034910 1064693504 /nfs/dbraw/zinc/69/35/04/1064693504.db2.gz DZFWQEZEPUNDGO-HXUWFJFHSA-N 1 2 469.634 2.959 20 0 JFADLO CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC001292056659 1064727063 /nfs/dbraw/zinc/72/70/63/1064727063.db2.gz CNYQKYIDUICVJF-YCRNBWNJSA-N 1 2 453.649 2.594 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCC(N(C)C(C)=O)CC2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001292062439 1064732086 /nfs/dbraw/zinc/73/20/86/1064732086.db2.gz TTYSCTWISPDWNC-IBGZPJMESA-N 1 2 484.649 2.726 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1C[C@H](C)c1nccs1 ZINC001292062919 1064734735 /nfs/dbraw/zinc/73/47/35/1064734735.db2.gz IPFBWBUPNFGKRS-AZUAARDMSA-N 1 2 488.706 2.673 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCCC2(C)C)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001292091016 1064777620 /nfs/dbraw/zinc/77/76/20/1064777620.db2.gz DGKZZFJWMCRCCZ-HSZRJFAPSA-N 1 2 464.680 2.783 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCCOCC2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001292110095 1064810286 /nfs/dbraw/zinc/81/02/86/1064810286.db2.gz MIVYZWZOJFXLDM-UHFFFAOYSA-N 1 2 455.538 2.796 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC1(C)CCOCC1 ZINC001292115645 1064833691 /nfs/dbraw/zinc/83/36/91/1064833691.db2.gz KKDIMCJHTJSQBN-UHFFFAOYSA-N 1 2 455.607 2.735 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CC1(O)CCCCC1 ZINC001292116729 1064840320 /nfs/dbraw/zinc/84/03/20/1064840320.db2.gz UIUYIXDWHPLKAJ-UHFFFAOYSA-N 1 2 455.607 2.613 20 0 JFADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC001292182528 1064972706 /nfs/dbraw/zinc/97/27/06/1064972706.db2.gz FKIZICWKVADLCC-HXUWFJFHSA-N 1 2 455.530 2.596 20 0 JFADLO CC[C@H](Cn1c(COc2cccc(C)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)OC ZINC001292252271 1065035005 /nfs/dbraw/zinc/03/50/05/1065035005.db2.gz PIVNVUOXTCIYSH-FCHUYYIVSA-N 1 2 484.645 2.723 20 0 JFADLO CCC(O)(CC)Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001292275707 1065052444 /nfs/dbraw/zinc/05/24/44/1065052444.db2.gz UYTKTIFDKPHVCZ-NRFANRHFSA-N 1 2 474.650 2.629 20 0 JFADLO CC[C@]1(C)CC[C@@H](Cn2c([C@@H](C)OCCOC)nnc2N2CCN(c3cc[nH+]c(C)n3)CC2)O1 ZINC001292298870 1065069828 /nfs/dbraw/zinc/06/98/28/1065069828.db2.gz HHYMHRBVMJFOQS-LJFZDNNRSA-N 1 2 473.622 2.775 20 0 JFADLO C[C@H](SCC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1nc2ccccc2[nH]1 ZINC001292374846 1065117848 /nfs/dbraw/zinc/11/78/48/1065117848.db2.gz UJSYWRQGKMWDCN-KRWDZBQOSA-N 1 2 452.584 2.607 20 0 JFADLO CC[C@@]1(C)CN(c2nnc(COc3ccccc3OC)n2CC[N@@H+]2CCOC[C@H]2C)CCO1 ZINC001292379275 1065123365 /nfs/dbraw/zinc/12/33/65/1065123365.db2.gz JYADZJYRRPLDGT-DVECYGJZSA-N 1 2 459.591 2.592 20 0 JFADLO CC[C@@]1(C)CN(c2nnc(COc3ccccc3OC)n2CC[N@H+]2CCOC[C@H]2C)CCO1 ZINC001292379275 1065123369 /nfs/dbraw/zinc/12/33/69/1065123369.db2.gz JYADZJYRRPLDGT-DVECYGJZSA-N 1 2 459.591 2.592 20 0 JFADLO CCc1ccc(-c2nnc(N3CC[NH+](C[C@@H]4CN(C(C)C)CCO4)CC3)n2C[C@@](C)(O)CC)cc1 ZINC001292520803 1065246349 /nfs/dbraw/zinc/24/63/49/1065246349.db2.gz UPWCYVIBHREUNG-SQHAQQRYSA-N 1 2 484.689 2.900 20 0 JFADLO CCc1ccc(-c2nnc(N3CC[NH+](C[C@H]4CN(C(C)C)CCO4)CC3)n2C[C@@](C)(O)CC)cc1 ZINC001292520800 1065246416 /nfs/dbraw/zinc/24/64/16/1065246416.db2.gz UPWCYVIBHREUNG-IGKIAQTJSA-N 1 2 484.689 2.900 20 0 JFADLO CCc1ccccc1OCc1nnc(N(CC)[C@@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001292591918 1065310685 /nfs/dbraw/zinc/31/06/85/1065310685.db2.gz RWCZEGVEVKMDQB-OAQYLSRUSA-N 1 2 473.643 2.695 20 0 JFADLO CCc1ccccc1OCc1nnc(N(CC)[C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CC=CCC1 ZINC001292591918 1065310694 /nfs/dbraw/zinc/31/06/94/1065310694.db2.gz RWCZEGVEVKMDQB-OAQYLSRUSA-N 1 2 473.643 2.695 20 0 JFADLO CCc1ccccc1OCc1nnc(N2CCC[C@@H](NC(C)=O)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001292605450 1065331033 /nfs/dbraw/zinc/33/10/33/1065331033.db2.gz JBIXUZOISSDIFR-HSZRJFAPSA-N 1 2 497.688 2.550 20 0 JFADLO CCc1ccccc1OCc1nnc(N2CCC[C@@H](NC(C)=O)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001292605450 1065331043 /nfs/dbraw/zinc/33/10/43/1065331043.db2.gz JBIXUZOISSDIFR-HSZRJFAPSA-N 1 2 497.688 2.550 20 0 JFADLO CCc1ccccc1OCc1nnc(N2CCC[C@H]2CC)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001292607763 1065333988 /nfs/dbraw/zinc/33/39/88/1065333988.db2.gz YXZUCYLAUOYUGL-JOCHJYFZSA-N 1 2 454.619 2.962 20 0 JFADLO CCc1ccccc1OCc1nnc(N2CC[NH+](C3CCC3)CC2)n1CCS(=O)(=O)CC ZINC001292616493 1065351216 /nfs/dbraw/zinc/35/12/16/1065351216.db2.gz WCXVMFJRVAKPBF-UHFFFAOYSA-N 1 2 461.632 2.529 20 0 JFADLO CCc1csc([C@@H]2CCCN(c3nnc(C(C)C)n3CC[NH+]3CCN(C(C)=O)CC3)C2)n1 ZINC001292665304 1065400994 /nfs/dbraw/zinc/40/09/94/1065400994.db2.gz BWTVFKWUKCAQSG-LJQANCHMSA-N 1 2 459.664 2.969 20 0 JFADLO CCc1nc(CCn2c(C(C)C)nnc2N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)cs1 ZINC001292696728 1065447120 /nfs/dbraw/zinc/44/71/20/1065447120.db2.gz ZLRLBMPBVLPHNB-NRFANRHFSA-N 1 2 475.707 2.894 20 0 JFADLO CCc1nn(C)c(OC)c1Cn1c(-c2cccc(Cl)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001292771541 1065527823 /nfs/dbraw/zinc/52/78/23/1065527823.db2.gz DAEKBPMWSDXFPU-UHFFFAOYSA-N 1 2 474.009 2.720 20 0 JFADLO CCc1nnc(N2C[C@H](C(=O)NCCOC)CC[C@H]2C)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001292891967 1065588487 /nfs/dbraw/zinc/58/84/87/1065588487.db2.gz BZAVORXYXSUHHH-TZIWHRDSSA-N 1 2 469.634 2.642 20 0 JFADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC001293024203 1065697002 /nfs/dbraw/zinc/69/70/02/1065697002.db2.gz VUFZZYQGFHCGMY-UHFFFAOYSA-N 1 2 458.609 2.840 20 0 JFADLO CCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001293089536 1065738255 /nfs/dbraw/zinc/73/82/55/1065738255.db2.gz KEHHZIBZDPUPGN-SFHVURJKSA-N 1 2 471.606 2.566 20 0 JFADLO Cc1cc(C(=O)CCC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c(C)s1 ZINC001293106454 1065753771 /nfs/dbraw/zinc/75/37/71/1065753771.db2.gz CMFGXRIYVVIUDY-GOSISDBHSA-N 1 2 457.600 2.740 20 0 JFADLO Cc1cc(C(=O)CCC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c(C)s1 ZINC001293106454 1065753783 /nfs/dbraw/zinc/75/37/83/1065753783.db2.gz CMFGXRIYVVIUDY-GOSISDBHSA-N 1 2 457.600 2.740 20 0 JFADLO CN(C)c1[nH+]cnc2c1cc(C(=O)Nc1cc(C(F)(F)F)ccc1NS(C)(=O)=O)n2C ZINC001293126437 1065777608 /nfs/dbraw/zinc/77/76/08/1065777608.db2.gz MQCJVPRAJIULAX-UHFFFAOYSA-N 1 2 456.450 2.677 20 0 JFADLO CCc1nnc(N2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)n1CC(=O)NC1CCCCC1 ZINC001293126657 1065777666 /nfs/dbraw/zinc/77/76/66/1065777666.db2.gz BOBCRWUKJQTFKP-UHFFFAOYSA-N 1 2 458.582 2.759 20 0 JFADLO CCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCO[C@H]1CCCC[C@@H]1C ZINC001293131558 1065784025 /nfs/dbraw/zinc/78/40/25/1065784025.db2.gz OUVHJXNXJBFMGU-ZRBLBEILSA-N 1 2 462.683 2.667 20 0 JFADLO CCc1noc(C)c1Cn1c([C@@H](C)CC)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001293190135 1065817135 /nfs/dbraw/zinc/81/71/35/1065817135.db2.gz HLSVGOTYRLBPAX-ROUUACIJSA-N 1 2 457.623 2.832 20 0 JFADLO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001293217090 1065857244 /nfs/dbraw/zinc/85/72/44/1065857244.db2.gz FIWNKZBJRLXDDS-GOSISDBHSA-N 1 2 471.512 2.771 20 0 JFADLO CC[C@H]1C(=O)NCCN1c1nnc(C(C)(C)C)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001293220797 1065872742 /nfs/dbraw/zinc/87/27/42/1065872742.db2.gz VCQJFNNUWGPUSK-SFTDATJTSA-N 1 2 454.619 2.672 20 0 JFADLO CC[C@H]1C(=O)NCCN1c1nnc(Cc2csc(C)n2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001293243497 1065906161 /nfs/dbraw/zinc/90/61/61/1065906161.db2.gz WEBGRTYCBYVVQP-OALUTQOASA-N 1 2 489.596 2.930 20 0 JFADLO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2csc(C)n2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001293243502 1065906226 /nfs/dbraw/zinc/90/62/26/1065906226.db2.gz WEBGRTYCBYVVQP-RTBURBONSA-N 1 2 489.596 2.930 20 0 JFADLO CC[C@@H]1c2ccsc2CCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001293288888 1065935082 /nfs/dbraw/zinc/93/50/82/1065935082.db2.gz LMZCPYHHCWBUKW-CRAIPNDOSA-N 1 2 489.671 2.973 20 0 JFADLO CC(C)(C)OC(=O)N1CC(O)(CC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001293321072 1065948325 /nfs/dbraw/zinc/94/83/25/1065948325.db2.gz AZCZEDDXYXVEPY-KRWDZBQOSA-N 1 2 455.958 2.932 20 0 JFADLO CC(C)(C)OC(=O)N1CC(O)(CC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001293321072 1065948345 /nfs/dbraw/zinc/94/83/45/1065948345.db2.gz AZCZEDDXYXVEPY-KRWDZBQOSA-N 1 2 455.958 2.932 20 0 JFADLO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3cc(Br)c(F)cc3O)CC2)CC1 ZINC001293361109 1065964616 /nfs/dbraw/zinc/96/46/16/1065964616.db2.gz FRJCMTOVBUUCJB-UHFFFAOYSA-N 1 2 456.356 2.700 20 0 JFADLO COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC001293371814 1065975058 /nfs/dbraw/zinc/97/50/58/1065975058.db2.gz SGOBFSOVSDNROH-VXKWHMMOSA-N 1 2 450.539 2.852 20 0 JFADLO COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC001293371814 1065975071 /nfs/dbraw/zinc/97/50/71/1065975071.db2.gz SGOBFSOVSDNROH-VXKWHMMOSA-N 1 2 450.539 2.852 20 0 JFADLO COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC001293371810 1065975137 /nfs/dbraw/zinc/97/51/37/1065975137.db2.gz SGOBFSOVSDNROH-FCHUYYIVSA-N 1 2 450.539 2.852 20 0 JFADLO COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC001293371810 1065975148 /nfs/dbraw/zinc/97/51/48/1065975148.db2.gz SGOBFSOVSDNROH-FCHUYYIVSA-N 1 2 450.539 2.852 20 0 JFADLO Cc1ccc(S(=O)(=O)NC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c2ccccc2)c(C)c1 ZINC001293398854 1065993133 /nfs/dbraw/zinc/99/31/33/1065993133.db2.gz NPOAACZLAQOBSS-NHCUHLMSSA-N 1 2 452.580 2.898 20 0 JFADLO Cc1ccc(S(=O)(=O)NC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)c2ccccc2)c(C)c1 ZINC001293398856 1065993337 /nfs/dbraw/zinc/99/33/37/1065993337.db2.gz NPOAACZLAQOBSS-SFTDATJTSA-N 1 2 452.580 2.898 20 0 JFADLO CC[C@@H]1CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001293419389 1066001483 /nfs/dbraw/zinc/00/14/83/1066001483.db2.gz YFTNLYSFYOZPCA-FCEUIQTBSA-N 1 2 490.674 2.649 20 0 JFADLO CC[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001293463062 1066016088 /nfs/dbraw/zinc/01/60/88/1066016088.db2.gz NBNKFMUPVYKWNA-FPOVZHCZSA-N 1 2 475.659 2.942 20 0 JFADLO CC[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001293463062 1066016099 /nfs/dbraw/zinc/01/60/99/1066016099.db2.gz NBNKFMUPVYKWNA-FPOVZHCZSA-N 1 2 475.659 2.942 20 0 JFADLO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[S@@](=O)CC)C[C@@H]1[NH+]1CCOCC1 ZINC001293552472 1066067496 /nfs/dbraw/zinc/06/74/96/1066067496.db2.gz OVMQXDISITXECS-OXIDNPNJSA-N 1 2 466.051 2.914 20 0 JFADLO CC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC[S@](=O)CC)C[C@H]1[NH+]1CCOCC1 ZINC001293613457 1066130516 /nfs/dbraw/zinc/13/05/16/1066130516.db2.gz SAZCDKFLVQIBKA-MWHWKIGQSA-N 1 2 480.078 2.838 20 0 JFADLO CC[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC2(S(C)(=O)=O)CCC2)CC[N@@H+]1CCOC ZINC001293613792 1066131593 /nfs/dbraw/zinc/13/15/93/1066131593.db2.gz VIDUWEZRMACNAD-NRFANRHFSA-N 1 2 493.649 2.522 20 0 JFADLO CC[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC2(S(C)(=O)=O)CCC2)CC[N@H+]1CCOC ZINC001293613792 1066131598 /nfs/dbraw/zinc/13/15/98/1066131598.db2.gz VIDUWEZRMACNAD-NRFANRHFSA-N 1 2 493.649 2.522 20 0 JFADLO CC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C[C@H](C)O1 ZINC001293630013 1066144875 /nfs/dbraw/zinc/14/48/75/1066144875.db2.gz NDELEUPRQCFSJC-QKLQHJQFSA-N 1 2 476.572 2.985 20 0 JFADLO CC[C@H]1CN(c2nnc(COc3ccc(OC)cc3)n2CC[N@@H+]2CCOC[C@H]2C)CCS1 ZINC001293643596 1066158864 /nfs/dbraw/zinc/15/88/64/1066158864.db2.gz FSIMHAQWZRCATO-NQIIRXRSSA-N 1 2 461.632 2.918 20 0 JFADLO CC[C@H]1CN(c2nnc(COc3ccc(OC)cc3)n2CC[N@H+]2CCOC[C@H]2C)CCS1 ZINC001293643596 1066158868 /nfs/dbraw/zinc/15/88/68/1066158868.db2.gz FSIMHAQWZRCATO-NQIIRXRSSA-N 1 2 461.632 2.918 20 0 JFADLO CC/C=C/Cn1c(Cc2csc(C)n2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001293714527 1066180329 /nfs/dbraw/zinc/18/03/29/1066180329.db2.gz KPZRVXKVRUEEQO-XYXUZSOXSA-N 1 2 473.691 2.831 20 0 JFADLO CC/C=C/Cn1c(Cc2csc(C)n2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001293714523 1066180400 /nfs/dbraw/zinc/18/04/00/1066180400.db2.gz KPZRVXKVRUEEQO-WMWRJIBUSA-N 1 2 473.691 2.831 20 0 JFADLO CC/C=C\Cn1c(COc2ccc(OC)cc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001293726117 1066184663 /nfs/dbraw/zinc/18/46/63/1066184663.db2.gz MPTFDOMPQQRWLI-QEVIJRNUSA-N 1 2 482.629 2.965 20 0 JFADLO CCCC(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001293759169 1066241788 /nfs/dbraw/zinc/24/17/88/1066241788.db2.gz DXBNJJNGFCTTOE-NNXSRULWSA-N 1 2 490.693 2.803 20 0 JFADLO CCC[C@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001293804570 1066314040 /nfs/dbraw/zinc/31/40/40/1066314040.db2.gz BQYCBFNQBHJBHQ-CYFREDJKSA-N 1 2 458.607 2.531 20 0 JFADLO CCC[C@H](C)C(=O)NCCn1c(-c2ccccc2OC)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001293856919 1066364394 /nfs/dbraw/zinc/36/43/94/1066364394.db2.gz OGUGNQADOSRGHY-IBGZPJMESA-N 1 2 492.628 2.931 20 0 JFADLO CCC[C@H](C)C(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001293857953 1066365910 /nfs/dbraw/zinc/36/59/10/1066365910.db2.gz YKKWXTGGWWCALL-KRWDZBQOSA-N 1 2 450.591 2.849 20 0 JFADLO CCC[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001293916658 1066399612 /nfs/dbraw/zinc/39/96/12/1066399612.db2.gz LQWZDMPCLSIRHJ-IFMALSPDSA-N 1 2 453.635 2.672 20 0 JFADLO C[C@@H](CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)C[NH+]1CCOCC1 ZINC001293934017 1066414571 /nfs/dbraw/zinc/41/45/71/1066414571.db2.gz ZZRYQSJEQKSTEP-INIZCTEOSA-N 1 2 451.976 2.839 20 0 JFADLO CCC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)OC ZINC001293972250 1066474739 /nfs/dbraw/zinc/47/47/39/1066474739.db2.gz PQHLQICUOXIPND-RTBURBONSA-N 1 2 470.622 2.593 20 0 JFADLO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC([N@H+](C)CC(F)F)CC3)CC2)cc1C ZINC001294041270 1066517353 /nfs/dbraw/zinc/51/73/53/1066517353.db2.gz AQNYRBYXNGXUIP-UHFFFAOYSA-N 1 2 457.587 2.892 20 0 JFADLO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC([N@@H+](C)CC(F)F)CC3)CC2)cc1C ZINC001294041270 1066517366 /nfs/dbraw/zinc/51/73/66/1066517366.db2.gz AQNYRBYXNGXUIP-UHFFFAOYSA-N 1 2 457.587 2.892 20 0 JFADLO COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCC([N@H+](C)CC(F)F)CC3)CC2)c1 ZINC001294045377 1066521010 /nfs/dbraw/zinc/52/10/10/1066521010.db2.gz RVXYDRVIQYHXIQ-UHFFFAOYSA-N 1 2 453.530 2.744 20 0 JFADLO COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCC([N@@H+](C)CC(F)F)CC3)CC2)c1 ZINC001294045377 1066521020 /nfs/dbraw/zinc/52/10/20/1066521020.db2.gz RVXYDRVIQYHXIQ-UHFFFAOYSA-N 1 2 453.530 2.744 20 0 JFADLO CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCCCS2(=O)=O)CC[N@@H+]1CCOC ZINC001294072063 1066541248 /nfs/dbraw/zinc/54/12/48/1066541248.db2.gz CYKSCKZMNJWJAC-UXHICEINSA-N 1 2 493.649 2.989 20 0 JFADLO CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCCCS2(=O)=O)CC[N@H+]1CCOC ZINC001294072063 1066541252 /nfs/dbraw/zinc/54/12/52/1066541252.db2.gz CYKSCKZMNJWJAC-UXHICEINSA-N 1 2 493.649 2.989 20 0 JFADLO Brc1cccc2c([C@H]3CN(c4ccc(CN5CCOCC5)cn4)CCO3)[nH+]cn21 ZINC001164419070 718889475 /nfs/dbraw/zinc/88/94/75/718889475.db2.gz PNLYBKPTTFLITP-GOSISDBHSA-N 1 2 458.360 2.902 20 0 JFADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)CC2)C1=O ZINC001164636859 719272997 /nfs/dbraw/zinc/27/29/97/719272997.db2.gz YFCVKASMXUDVPX-UHFFFAOYSA-N 1 2 472.593 2.965 20 0 JFADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)CC2)C1=O ZINC001164636859 719273003 /nfs/dbraw/zinc/27/30/03/719273003.db2.gz YFCVKASMXUDVPX-UHFFFAOYSA-N 1 2 472.593 2.965 20 0 JFADLO COCCN1CC[N@H+](C)C2(CCN(c3cnc(Cl)nc3Oc3ccc(OC)cc3)CC2)C1=O ZINC001164644458 719284710 /nfs/dbraw/zinc/28/47/10/719284710.db2.gz KGSLROYXXXUJRP-UHFFFAOYSA-N 1 2 475.977 2.690 20 0 JFADLO COCCN1CC[N@@H+](C)C2(CCN(c3cnc(Cl)nc3Oc3ccc(OC)cc3)CC2)C1=O ZINC001164644458 719284714 /nfs/dbraw/zinc/28/47/14/719284714.db2.gz KGSLROYXXXUJRP-UHFFFAOYSA-N 1 2 475.977 2.690 20 0 JFADLO O=C(CC1CC1)N[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C[C@@H]2CCCO[C@H]12 ZINC001164654900 719324205 /nfs/dbraw/zinc/32/42/05/719324205.db2.gz NQCWUERXAWZUDW-NZJKTDFXSA-N 1 2 461.610 2.935 20 0 JFADLO O=C(CC1CC1)N[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C[C@@H]2CCCO[C@H]12 ZINC001164654900 719324208 /nfs/dbraw/zinc/32/42/08/719324208.db2.gz NQCWUERXAWZUDW-NZJKTDFXSA-N 1 2 461.610 2.935 20 0 JFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1CN(Cc1ccccc1)C2 ZINC001164704718 719847632 /nfs/dbraw/zinc/84/76/32/719847632.db2.gz SLUVXCMYWYYEEQ-CLOONOSVSA-N 1 2 486.016 2.879 20 0 JFADLO CCOC(=O)c1cnc(-c2cccs2)nc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164703128 719850517 /nfs/dbraw/zinc/85/05/17/719850517.db2.gz PAAGNSOTGMUEEN-HJPURHCSSA-N 1 2 474.583 2.615 20 0 JFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(Cl)ncc1C(=O)OC(C)(C)C ZINC001164706415 719859501 /nfs/dbraw/zinc/85/95/01/719859501.db2.gz XFNHNMSQKHOOHE-OYHNWAKOSA-N 1 2 453.967 2.923 20 0 JFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc(Oc2ccc(F)cc2)n1 ZINC001164702893 719860143 /nfs/dbraw/zinc/86/01/43/719860143.db2.gz OETBVWZTNNOIET-YCRPNKLZSA-N 1 2 465.913 2.689 20 0 JFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(Oc2ccc(OC)cc2)nc(C)n1 ZINC001164707852 719876261 /nfs/dbraw/zinc/87/62/61/719876261.db2.gz WDWMTOWTGYSOPK-KOSHJBKYSA-N 1 2 456.543 2.819 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(-c3ccccc3)nc(-c3ccccc3)n1)CC2 ZINC001164709337 719905482 /nfs/dbraw/zinc/90/54/82/719905482.db2.gz SVRPIYSVMJWGEN-UHFFFAOYSA-N 1 2 494.603 2.889 20 0 JFADLO CSc1ccc(C(F)(F)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1Cl ZINC001164709588 719912859 /nfs/dbraw/zinc/91/28/59/719912859.db2.gz YTWPQRZDDPAUDK-UHFFFAOYSA-N 1 2 470.977 2.686 20 0 JFADLO Cc1cc2nc(Cl)c(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nc2cc1C ZINC001164709767 719915148 /nfs/dbraw/zinc/91/51/48/719915148.db2.gz ZVRUAAYEYFMSQN-UHFFFAOYSA-N 1 2 453.978 2.584 20 0 JFADLO Cc1nc2sc3c(c2c(N2CCc4c(n(C)nc4C(=O)N4CC[NH+](C)CC4)C2)n1)CCCCC3 ZINC001164709141 719923176 /nfs/dbraw/zinc/92/31/76/719923176.db2.gz ZJZREDSDUAHFAP-UHFFFAOYSA-N 1 2 479.654 2.952 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1cc(Cl)cnc1Cl)CC2 ZINC001164703847 719937591 /nfs/dbraw/zinc/93/75/91/719937591.db2.gz NOVCXBFGSZNQJF-UHFFFAOYSA-N 1 2 459.328 2.617 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1ccc3ncc(Cl)nc3c1)CC2 ZINC001164704257 719938299 /nfs/dbraw/zinc/93/82/99/719938299.db2.gz QOJPVLGPZUQZDL-UHFFFAOYSA-N 1 2 475.931 2.512 20 0 JFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3ccccc3C)C2)C1 ZINC001164721520 720305866 /nfs/dbraw/zinc/30/58/66/720305866.db2.gz HJNQDANWKLLMNP-QHCPKHFHSA-N 1 2 459.978 2.896 20 0 JFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3ccccc3C)C2)C1 ZINC001164721520 720305877 /nfs/dbraw/zinc/30/58/77/720305877.db2.gz HJNQDANWKLLMNP-QHCPKHFHSA-N 1 2 459.978 2.896 20 0 JFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3cccc(C)c3)C2)C1 ZINC001164723349 720306610 /nfs/dbraw/zinc/30/66/10/720306610.db2.gz NTXGYRRQLXIWJB-QHCPKHFHSA-N 1 2 459.978 2.896 20 0 JFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3cccc(C)c3)C2)C1 ZINC001164723349 720306620 /nfs/dbraw/zinc/30/66/20/720306620.db2.gz NTXGYRRQLXIWJB-QHCPKHFHSA-N 1 2 459.978 2.896 20 0 JFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3ccccc3F)C2)C1 ZINC001164720930 720307062 /nfs/dbraw/zinc/30/70/62/720307062.db2.gz CNBAYLQPGAUGBI-JOCHJYFZSA-N 1 2 463.941 2.726 20 0 JFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3ccccc3F)C2)C1 ZINC001164720930 720307068 /nfs/dbraw/zinc/30/70/68/720307068.db2.gz CNBAYLQPGAUGBI-JOCHJYFZSA-N 1 2 463.941 2.726 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5[nH]cc(F)c54)CC3)C2=O)cs1 ZINC001164823986 720358559 /nfs/dbraw/zinc/35/85/59/720358559.db2.gz FVSLIENRXYNQJI-UHFFFAOYSA-N 1 2 463.970 2.829 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5[nH]cc(F)c54)CC3)C2=O)cs1 ZINC001164823986 720358563 /nfs/dbraw/zinc/35/85/63/720358563.db2.gz FVSLIENRXYNQJI-UHFFFAOYSA-N 1 2 463.970 2.829 20 0 JFADLO COC(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c1 ZINC001164825503 720359491 /nfs/dbraw/zinc/35/94/91/720359491.db2.gz PUZVOQDGBKADQK-UHFFFAOYSA-N 1 2 463.991 2.600 20 0 JFADLO COC(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c1 ZINC001164825503 720359498 /nfs/dbraw/zinc/35/94/98/720359498.db2.gz PUZVOQDGBKADQK-UHFFFAOYSA-N 1 2 463.991 2.600 20 0 JFADLO COC(=O)c1cc(Cl)cnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164825593 720359937 /nfs/dbraw/zinc/35/99/37/720359937.db2.gz RNTWZJHHOSETLL-UHFFFAOYSA-N 1 2 463.991 2.600 20 0 JFADLO COC(=O)c1cc(Cl)cnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164825593 720359943 /nfs/dbraw/zinc/35/99/43/720359943.db2.gz RNTWZJHHOSETLL-UHFFFAOYSA-N 1 2 463.991 2.600 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc5c4C(=O)OC5(C)C)CC3)C2=O)cs1 ZINC001164823260 720366086 /nfs/dbraw/zinc/36/60/86/720366086.db2.gz CYFTXGATBQDSFW-UHFFFAOYSA-N 1 2 455.584 2.565 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc5c4C(=O)OC5(C)C)CC3)C2=O)cs1 ZINC001164823260 720366094 /nfs/dbraw/zinc/36/60/94/720366094.db2.gz CYFTXGATBQDSFW-UHFFFAOYSA-N 1 2 455.584 2.565 20 0 JFADLO COc1cccc2ncnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)c21 ZINC001164821132 720378973 /nfs/dbraw/zinc/37/89/73/720378973.db2.gz WXTTWZKJNQTSGC-UHFFFAOYSA-N 1 2 452.584 2.717 20 0 JFADLO COc1cccc2ncnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)c21 ZINC001164821132 720378980 /nfs/dbraw/zinc/37/89/80/720378980.db2.gz WXTTWZKJNQTSGC-UHFFFAOYSA-N 1 2 452.584 2.717 20 0 JFADLO Clc1nc2c(c(N3CCCn4nnc(Cn5cc[nH+]c5)c4C3)n1)CN(Cc1ccccc1)CC2 ZINC001164828659 720396741 /nfs/dbraw/zinc/39/67/41/720396741.db2.gz KDJMQKISFUXLLT-UHFFFAOYSA-N 1 2 475.988 2.935 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1ccc(F)c(Cl)n1)C2 ZINC001164823378 720436606 /nfs/dbraw/zinc/43/66/06/720436606.db2.gz IONOLBDVFUFHOY-CQSZACIVSA-N 1 2 459.900 2.605 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccnc1C1SCCCS1)C2 ZINC001164824049 720443041 /nfs/dbraw/zinc/44/30/41/720443041.db2.gz LLOITDFVRGHWHT-QGZVFWFLSA-N 1 2 476.672 2.531 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc3cc(F)c(F)cc3nc1Cl)C2 ZINC001164822062 720446479 /nfs/dbraw/zinc/44/64/79/720446479.db2.gz BZSIKJFLUCTDCY-CQSZACIVSA-N 1 2 478.931 2.748 20 0 JFADLO Cc1ccc2c(c1)nc(Cl)nc2N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164822407 720452719 /nfs/dbraw/zinc/45/27/19/720452719.db2.gz DUNQSPJVKMFHMI-KRWDZBQOSA-N 1 2 456.978 2.778 20 0 JFADLO Cc1nc2cc(Cl)ccc2c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164825136 720453561 /nfs/dbraw/zinc/45/35/61/720453561.db2.gz QHPUCLCOIAFLID-QGZVFWFLSA-N 1 2 456.978 2.778 20 0 JFADLO Cc1nc2c3ccccc3oc2c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164829355 720460661 /nfs/dbraw/zinc/46/06/61/720460661.db2.gz FWNLBOWUWAYDJI-SFHVURJKSA-N 1 2 462.554 2.871 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncccc1OCc1ccccc1)C2 ZINC001164832249 720469495 /nfs/dbraw/zinc/46/94/95/720469495.db2.gz RVJZEJSCRKACIC-JOCHJYFZSA-N 1 2 463.582 2.847 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3c(Cl)nccc31)C2 ZINC001164832715 720469807 /nfs/dbraw/zinc/46/98/07/720469807.db2.gz WDKIIZZFOORFIW-AWEZNQCLSA-N 1 2 478.384 2.518 20 0 JFADLO Cc1ccc(C)c(-c2ccc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nn2)c1 ZINC001164829210 720474029 /nfs/dbraw/zinc/47/40/29/720474029.db2.gz DNDYOEBTTJCHSG-OAQYLSRUSA-N 1 2 462.598 2.947 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)Oc1cc(Cl)nc(Cl)c1)C2 ZINC001164830957 720482901 /nfs/dbraw/zinc/48/29/01/720482901.db2.gz CZRXXMNACDSTSZ-AWEZNQCLSA-N 1 2 492.354 2.999 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cc(Cl)nc3c1CCC3)C2 ZINC001164833096 720484272 /nfs/dbraw/zinc/48/42/72/720484272.db2.gz LZAUNEQIAHPWRZ-INIZCTEOSA-N 1 2 481.975 2.955 20 0 JFADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736492 720587683 /nfs/dbraw/zinc/58/76/83/720587683.db2.gz LRWSBKQSBNWQTP-UHFFFAOYSA-N 1 2 470.574 2.877 20 0 JFADLO CSc1nc(Cl)cc(C(F)(F)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)n1 ZINC001164855335 720895294 /nfs/dbraw/zinc/89/52/94/720895294.db2.gz BGWNSTBBYKEUND-UHFFFAOYSA-N 1 2 453.906 2.609 20 0 JFADLO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164872289 721218850 /nfs/dbraw/zinc/21/88/50/721218850.db2.gz NAJQRHRDRXEFKE-UHFFFAOYSA-N 1 2 480.947 2.782 20 0 JFADLO O=C(c1cccnc1N1CC2CC1(C(=O)N1CCCC1)C2)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164870719 721237859 /nfs/dbraw/zinc/23/78/59/721237859.db2.gz BAQMVCRHAMYWBY-UHFFFAOYSA-N 1 2 459.594 2.631 20 0 JFADLO O=C(NCc1ccco1)[C@@H]1COC[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]21 ZINC001164759561 721252165 /nfs/dbraw/zinc/25/21/65/721252165.db2.gz AWFFXHSVASRIFB-KIFXHHALSA-N 1 2 473.577 2.643 20 0 JFADLO O=C(NCc1ccco1)[C@@H]1COC[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]21 ZINC001164759561 721252173 /nfs/dbraw/zinc/25/21/73/721252173.db2.gz AWFFXHSVASRIFB-KIFXHHALSA-N 1 2 473.577 2.643 20 0 JFADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C[C@@H]2CCCO[C@@H]12)c1cccnc1 ZINC001164788352 721378284 /nfs/dbraw/zinc/37/82/84/721378284.db2.gz YPPMBSNCBXGFGA-HDYLNDSGSA-N 1 2 484.604 2.844 20 0 JFADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C[C@@H]2CCCO[C@@H]12)c1cccnc1 ZINC001164788352 721378287 /nfs/dbraw/zinc/37/82/87/721378287.db2.gz YPPMBSNCBXGFGA-HDYLNDSGSA-N 1 2 484.604 2.844 20 0 JFADLO O=C(c1cccnc1N1Cc2nccn2C[C@@H](Cn2cccn2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164895922 721486802 /nfs/dbraw/zinc/48/68/02/721486802.db2.gz OHEONSOIMUPMEF-XMMPIXPASA-N 1 2 496.619 2.769 20 0 JFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(N3CCN(c4ccccc4)CC3)nn1)C2 ZINC001165009046 721713697 /nfs/dbraw/zinc/71/36/97/721713697.db2.gz NRFTWMSLHWSHCG-UHFFFAOYSA-N 1 2 461.618 2.645 20 0 JFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(N3CCN(c4ccccc4)CC3)nn1)C2 ZINC001165009046 721713701 /nfs/dbraw/zinc/71/37/01/721713701.db2.gz NRFTWMSLHWSHCG-UHFFFAOYSA-N 1 2 461.618 2.645 20 0 JFADLO O=S1(=O)CCc2nc(Cl)nc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c21 ZINC001164911164 721736977 /nfs/dbraw/zinc/73/69/77/721736977.db2.gz IJOIJIQTHHHSGH-IBGZPJMESA-N 1 2 469.945 2.593 20 0 JFADLO O=S1(=O)CCc2nc(Cl)nc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c21 ZINC001164911164 721736980 /nfs/dbraw/zinc/73/69/80/721736980.db2.gz IJOIJIQTHHHSGH-IBGZPJMESA-N 1 2 469.945 2.593 20 0 JFADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)C1(c3ccnc(Cl)c3)CC1)CC2 ZINC001165014809 721765809 /nfs/dbraw/zinc/76/58/09/721765809.db2.gz JMFIGEALBDSRNM-UHFFFAOYSA-N 1 2 475.931 2.778 20 0 JFADLO O=C(c1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1)N1CCCCC1 ZINC001164913303 721773380 /nfs/dbraw/zinc/77/33/80/721773380.db2.gz VZMNMQXREQPYFO-VWLOTQADSA-N 1 2 486.016 2.864 20 0 JFADLO O=C(c1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1)N1CCCCC1 ZINC001164913303 721773381 /nfs/dbraw/zinc/77/33/81/721773381.db2.gz VZMNMQXREQPYFO-VWLOTQADSA-N 1 2 486.016 2.864 20 0 JFADLO COc1cc2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2cc1OC ZINC001164914924 721787533 /nfs/dbraw/zinc/78/75/33/721787533.db2.gz IEWDPRIYTDYQTI-RUZDIDTESA-N 1 2 450.539 2.755 20 0 JFADLO COc1cc2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2cc1OC ZINC001164914924 721787535 /nfs/dbraw/zinc/78/75/35/721787535.db2.gz IEWDPRIYTDYQTI-RUZDIDTESA-N 1 2 450.539 2.755 20 0 JFADLO CCOC(=O)c1cc2ccccc2nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916040 721788357 /nfs/dbraw/zinc/78/83/57/721788357.db2.gz OFVPPSZQKOXMOQ-AREMUKBSSA-N 1 2 462.550 2.914 20 0 JFADLO CCOC(=O)c1cc2ccccc2nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916040 721788363 /nfs/dbraw/zinc/78/83/63/721788363.db2.gz OFVPPSZQKOXMOQ-AREMUKBSSA-N 1 2 462.550 2.914 20 0 JFADLO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915634 721791907 /nfs/dbraw/zinc/79/19/07/721791907.db2.gz MGZRIAFTPZQVQQ-NRFANRHFSA-N 1 2 476.915 2.726 20 0 JFADLO FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915634 721791911 /nfs/dbraw/zinc/79/19/11/721791911.db2.gz MGZRIAFTPZQVQQ-NRFANRHFSA-N 1 2 476.915 2.726 20 0 JFADLO COC(=O)C[C@@H](c1ccnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1)C1CC1 ZINC001164913794 721793457 /nfs/dbraw/zinc/79/34/57/721793457.db2.gz HKBLJEGWMHFIAT-ZEQKJWHPSA-N 1 2 466.582 2.641 20 0 JFADLO COC(=O)C[C@@H](c1ccnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1)C1CC1 ZINC001164913794 721793459 /nfs/dbraw/zinc/79/34/59/721793459.db2.gz HKBLJEGWMHFIAT-ZEQKJWHPSA-N 1 2 466.582 2.641 20 0 JFADLO COc1ccc(CN2C(=O)CO[C@@H]3CN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@H]32)cc1 ZINC001165026000 721795043 /nfs/dbraw/zinc/79/50/43/721795043.db2.gz XDNIOAMBURTMRB-CLJLJLNGSA-N 1 2 485.588 2.660 20 0 JFADLO COc1ccc(CN2C(=O)CO[C@@H]3CN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@H]32)cc1 ZINC001165026000 721795046 /nfs/dbraw/zinc/79/50/46/721795046.db2.gz XDNIOAMBURTMRB-CLJLJLNGSA-N 1 2 485.588 2.660 20 0 JFADLO Fc1cccc(F)c1-c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164915758 721797015 /nfs/dbraw/zinc/79/70/15/721797015.db2.gz ZKDKHGKTJXRAIA-DEOSSOPVSA-N 1 2 453.493 2.925 20 0 JFADLO Fc1cccc(F)c1-c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164915758 721797017 /nfs/dbraw/zinc/79/70/17/721797017.db2.gz ZKDKHGKTJXRAIA-DEOSSOPVSA-N 1 2 453.493 2.925 20 0 JFADLO CC(C)c1noc(-c2ccnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2)n1 ZINC001164915008 721797939 /nfs/dbraw/zinc/79/79/39/721797939.db2.gz TVAFNDPSVAMPNV-DEOSSOPVSA-N 1 2 450.543 2.758 20 0 JFADLO CC(C)c1noc(-c2ccnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2)n1 ZINC001164915008 721797942 /nfs/dbraw/zinc/79/79/42/721797942.db2.gz TVAFNDPSVAMPNV-DEOSSOPVSA-N 1 2 450.543 2.758 20 0 JFADLO COc1ccc(CN(C)c2cc[nH+]c(N3CCO[C@@]4(C3)COCCN(Cc3cccnc3)C4)n2)cc1 ZINC001164913879 721799126 /nfs/dbraw/zinc/79/91/26/721799126.db2.gz HZFFFZKAIBFOKR-MHZLTWQESA-N 1 2 490.608 2.624 20 0 JFADLO CN(c1nc2cc(C[NH+]3CCN([C@H]4CCOC4)CC3)sc2c(N2CCOCC2)n1)C(C)(C)C ZINC001165022481 721833851 /nfs/dbraw/zinc/83/38/51/721833851.db2.gz OEDHCQWEWSDMNM-SFHVURJKSA-N 1 2 474.675 2.669 20 0 JFADLO CN(c1nc2cc(CN3CC[NH+]([C@H]4CCOC4)CC3)sc2c(N2CCOCC2)n1)C(C)(C)C ZINC001165022481 721833852 /nfs/dbraw/zinc/83/38/52/721833852.db2.gz OEDHCQWEWSDMNM-SFHVURJKSA-N 1 2 474.675 2.669 20 0 JFADLO O=S(=O)(Nc1ccc(F)c(N2CC[NH+](C[C@H]3CCCO3)CC2)c1)c1ccc(Cl)nc1 ZINC001165044919 721921472 /nfs/dbraw/zinc/92/14/72/721921472.db2.gz XCTYNLXUIVNHFO-MRXNPFEDSA-N 1 2 454.955 2.976 20 0 JFADLO CN1CC[NH+](Cc2cc3nc(N4CC[C@@H](c5ccncc5)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001165041124 721928368 /nfs/dbraw/zinc/92/83/68/721928368.db2.gz YVFKTDRWGFSYAJ-HXUWFJFHSA-N 1 2 479.654 2.664 20 0 JFADLO Cc1noc(C)c1CN1CCO[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]21 ZINC001164943127 721938168 /nfs/dbraw/zinc/93/81/68/721938168.db2.gz OCWJGERJJVBCRR-RPBOFIJWSA-N 1 2 460.582 2.729 20 0 JFADLO Cc1noc(C)c1CN1CCO[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]21 ZINC001164943127 721938171 /nfs/dbraw/zinc/93/81/71/721938171.db2.gz OCWJGERJJVBCRR-RPBOFIJWSA-N 1 2 460.582 2.729 20 0 JFADLO O=C(c1ccco1)N1CC[C@@H]2CN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)C[C@H]21 ZINC001164959251 722047585 /nfs/dbraw/zinc/04/75/85/722047585.db2.gz QKXGAHWGESHVII-ISKFKSNPSA-N 1 2 485.588 2.984 20 0 JFADLO Cc1nc(CN2CCO[C@H]3CCN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[C@H]32)cs1 ZINC001164986269 722185017 /nfs/dbraw/zinc/18/50/17/722185017.db2.gz DXGKOGDTXVMWOO-RTWAWAEBSA-N 1 2 484.674 2.707 20 0 JFADLO Cc1nc(CN2CCO[C@H]3CCN(c4nc(N5CCCC5)nc(N5CCCC5)[nH+]4)CC[C@H]32)cs1 ZINC001164986269 722185018 /nfs/dbraw/zinc/18/50/18/722185018.db2.gz DXGKOGDTXVMWOO-RTWAWAEBSA-N 1 2 484.674 2.707 20 0 JFADLO CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CO1 ZINC001264342119 1059576399 /nfs/dbraw/zinc/57/63/99/1059576399.db2.gz PHAIFQGSNJPYJO-GHTZIAJQSA-N 1 2 459.587 2.733 20 0 JFADLO CC(C)(C)C(=O)N1CCO[C@@H](C(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC001264401075 1059590253 /nfs/dbraw/zinc/59/02/53/1059590253.db2.gz GDXZDBDMVJAQBA-GOSISDBHSA-N 1 2 457.493 2.503 20 0 JFADLO COc1ccc(C[C@@](C)(NC(C)=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1OC ZINC001264647178 1059637944 /nfs/dbraw/zinc/63/79/44/1059637944.db2.gz RNAWYOCCZUGOKZ-RUZDIDTESA-N 1 2 454.571 2.843 20 0 JFADLO CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC001264831936 1059700189 /nfs/dbraw/zinc/70/01/89/1059700189.db2.gz PHJNJUWTJXFDQA-HXUWFJFHSA-N 1 2 456.612 2.550 20 0 JFADLO Cc1cc(I)cc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c1C ZINC001265166578 1059786249 /nfs/dbraw/zinc/78/62/49/1059786249.db2.gz JTAOWCWURDNMDX-UHFFFAOYSA-N 1 2 454.312 2.689 20 0 JFADLO Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC001265469997 1059867622 /nfs/dbraw/zinc/86/76/22/1059867622.db2.gz UJCANUUQEUTXKX-QHCPKHFHSA-N 1 2 451.550 2.756 20 0 JFADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cccnc1S[C@H](C)C(=O)N1CCCC1 ZINC001265975308 1059952858 /nfs/dbraw/zinc/95/28/58/1059952858.db2.gz VRVFICLLTQYGJN-QGZVFWFLSA-N 1 2 455.584 2.977 20 0 JFADLO CC(C)(C)OC(=O)NCC[N@H+](CC(=O)Nc1ccc2c(c1)C(=O)NCC2)Cc1ccccc1 ZINC001266242145 1059977700 /nfs/dbraw/zinc/97/77/00/1059977700.db2.gz LRNGHIIOBNNRRO-UHFFFAOYSA-N 1 2 452.555 2.938 20 0 JFADLO CC(C)(C)OC(=O)NCC[N@@H+](CC(=O)Nc1ccc2c(c1)C(=O)NCC2)Cc1ccccc1 ZINC001266242145 1059977722 /nfs/dbraw/zinc/97/77/22/1059977722.db2.gz LRNGHIIOBNNRRO-UHFFFAOYSA-N 1 2 452.555 2.938 20 0 JFADLO CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4[nH+]ccn4c3)CC2)cc1 ZINC001280275424 1060002177 /nfs/dbraw/zinc/00/21/77/1060002177.db2.gz GIVLDRARHWFRLE-UHFFFAOYSA-N 1 2 456.524 2.550 20 0 JFADLO Cn1cc[nH+]c1C[C@H](NC(=O)CCc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1 ZINC001280395441 1060004761 /nfs/dbraw/zinc/00/47/61/1060004761.db2.gz VECDTGORSAVJNY-QFIPXVFZSA-N 1 2 452.580 2.993 20 0 JFADLO C/C(=C/c1ccccc1)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001286837407 1061092275 /nfs/dbraw/zinc/09/22/75/1061092275.db2.gz DUZVBRXFFIXCKV-XPUAKXTGSA-N 1 2 455.628 2.982 20 0 JFADLO C/C(=C/c1ccccc1)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CC=CCC1 ZINC001286837407 1061092291 /nfs/dbraw/zinc/09/22/91/1061092291.db2.gz DUZVBRXFFIXCKV-XPUAKXTGSA-N 1 2 455.628 2.982 20 0 JFADLO CC(=O)N(C)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCCCCC3)[nH+]c2)CC1 ZINC001286837590 1061093103 /nfs/dbraw/zinc/09/31/03/1061093103.db2.gz FFMQDWLCOXBTBN-UHFFFAOYSA-N 1 2 496.660 2.687 20 0 JFADLO CC(=O)N1CC[C@H](CN(C)c2nnc(C(C)(C)C)n2C[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC001286844371 1061131390 /nfs/dbraw/zinc/13/13/90/1061131390.db2.gz BIUJJNDWNZKSSA-FYYLOGMGSA-N 1 2 468.646 2.954 20 0 JFADLO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001286853294 1061197356 /nfs/dbraw/zinc/19/73/56/1061197356.db2.gz YVZFNBQFICTECV-WIYYLYMNSA-N 1 2 475.037 2.548 20 0 JFADLO CC(=O)N1CCC[C@@H](Cn2c(N3CC[NH+](Cc4cnc(C)s4)CC3)nnc2C(C)(C)C)C1 ZINC001286859959 1061225389 /nfs/dbraw/zinc/22/53/89/1061225389.db2.gz BEBKTGCFDPGBKF-LJQANCHMSA-N 1 2 459.664 2.921 20 0 JFADLO Cc1ccc(-c2nnc(N3CC[NH+]([C@H](C)C(=O)NC4CC4)CC3)n2CC(F)(F)Br)o1 ZINC001289596224 1061240490 /nfs/dbraw/zinc/24/04/90/1061240490.db2.gz YUJLTLPEKDCZQZ-CYBMUJFWSA-N 1 2 487.349 2.623 20 0 JFADLO Cc1ccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCOC[C@H]2C)o1 ZINC001289651287 1061275033 /nfs/dbraw/zinc/27/50/33/1061275033.db2.gz LBZPPBUXRIUNNC-MRXNPFEDSA-N 1 2 458.588 2.528 20 0 JFADLO Cc1ccc(CN(C)c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCOC[C@H]2C)o1 ZINC001289651287 1061275054 /nfs/dbraw/zinc/27/50/54/1061275054.db2.gz LBZPPBUXRIUNNC-MRXNPFEDSA-N 1 2 458.588 2.528 20 0 JFADLO CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)[C@@H](C)C1 ZINC001286882113 1061308599 /nfs/dbraw/zinc/30/85/99/1061308599.db2.gz AGEMVJJJBZDGJW-JTSKRJEESA-N 1 2 483.567 2.902 20 0 JFADLO Cc1ccc(NC(=O)c2nnc(N(C)CC[NH+]3CCOCC3)n2CCc2cccnc2)cc1C ZINC001289727962 1061337922 /nfs/dbraw/zinc/33/79/22/1061337922.db2.gz XIRLMRKKLCEPBX-UHFFFAOYSA-N 1 2 463.586 2.553 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)Cc2ccccn2)CC1 ZINC001286888517 1061341498 /nfs/dbraw/zinc/34/14/98/1061341498.db2.gz BDAOCBLVPSCLDZ-LJQANCHMSA-N 1 2 481.576 2.753 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3cccc(C)c3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC001286889138 1061345745 /nfs/dbraw/zinc/34/57/45/1061345745.db2.gz DLVYIKONSGBOHM-QHCPKHFHSA-N 1 2 484.645 2.581 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3ccccc3F)nnc2N2CC[C@@H](C)[C@H]2C)CC1 ZINC001286889303 1061347558 /nfs/dbraw/zinc/34/75/58/1061347558.db2.gz IWRMMXOKJDNWDU-QRVBRYPASA-N 1 2 458.582 2.956 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001286889466 1061348794 /nfs/dbraw/zinc/34/87/94/1061348794.db2.gz IODYHOGIWMEYIR-OAQYLSRUSA-N 1 2 484.645 2.642 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N(C)Cc2cnc(C(C)C)nc2)CC1 ZINC001286889733 1061350219 /nfs/dbraw/zinc/35/02/19/1061350219.db2.gz JUVQNLJKXPBWJM-UHFFFAOYSA-N 1 2 456.639 2.581 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C)cc3)nnc2N2CC[C@H](C(C)C)C2)CC1 ZINC001286889874 1061352083 /nfs/dbraw/zinc/35/20/83/1061352083.db2.gz MDTKRZIOULNZHQ-QFIPXVFZSA-N 1 2 454.619 2.812 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3cccc(C)c3)nnc2N2CCC(C)=C(C)C2)CC1 ZINC001286890740 1061356381 /nfs/dbraw/zinc/35/63/81/1061356381.db2.gz VIJWAAVJURBZAF-UHFFFAOYSA-N 1 2 452.603 2.876 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(N(C)C[C@H](C)c3ccccc3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001286891012 1061358128 /nfs/dbraw/zinc/35/81/28/1061358128.db2.gz XZRIZYAMOAVJEL-CUNXSJBXSA-N 1 2 498.672 2.723 20 0 JFADLO Cc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1Cc1cc(C)ccc1OC(F)F ZINC001289766440 1061387522 /nfs/dbraw/zinc/38/75/22/1061387522.db2.gz IXJSLMOCRVDUQK-NRFANRHFSA-N 1 2 478.588 2.776 20 0 JFADLO Cc1ccc(OCc2nnc(N(C)Cc3cnn(C)c3)n2CC[N@H+]2CCOC[C@@H]2C)cc1C ZINC001289783187 1061407587 /nfs/dbraw/zinc/40/75/87/1061407587.db2.gz UNELEAFITWWDBG-FQEVSTJZSA-N 1 2 453.591 2.565 20 0 JFADLO Cc1ccc(OCc2nnc(N(C)Cc3cnn(C)c3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1C ZINC001289783187 1061407593 /nfs/dbraw/zinc/40/75/93/1061407593.db2.gz UNELEAFITWWDBG-FQEVSTJZSA-N 1 2 453.591 2.565 20 0 JFADLO Cc1ccc(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H]2CSCCS2)cc1 ZINC001289788798 1061415664 /nfs/dbraw/zinc/41/56/64/1061415664.db2.gz XRKHCRBHYZRLNP-HXUWFJFHSA-N 1 2 463.673 2.783 20 0 JFADLO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001286905919 1061422497 /nfs/dbraw/zinc/42/24/97/1061422497.db2.gz BMAQWROTOACOIU-ZBFHGGJFSA-N 1 2 497.463 2.595 20 0 JFADLO CC(=O)N[C@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001286910259 1061456182 /nfs/dbraw/zinc/45/61/82/1061456182.db2.gz RMKVORWOVQLKAW-LAUBAEHRSA-N 1 2 471.556 2.970 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCc4c(cc[nH+]c4N(C)C)C3)n2CCNC(=O)C(C)C)cc1 ZINC001289811525 1061459783 /nfs/dbraw/zinc/45/97/83/1061459783.db2.gz FCAFQNPLDNYSLF-UHFFFAOYSA-N 1 2 477.613 2.961 20 0 JFADLO CC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001286914590 1061485636 /nfs/dbraw/zinc/48/56/36/1061485636.db2.gz KSJBPTLHVBCVJO-HXUWFJFHSA-N 1 2 451.550 2.622 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCN(c4cccc[nH+]4)CC3)n2CC(=O)NCC(F)(F)F)cc1 ZINC001289825019 1061493265 /nfs/dbraw/zinc/49/32/65/1061493265.db2.gz SVCPJKWGWJQWKL-UHFFFAOYSA-N 1 2 489.502 2.566 20 0 JFADLO CC(=O)NC1CCN(c2nnc(Cc3csc(C)n3)n2CCCNc2cccc[nH+]2)CC1 ZINC001286919480 1061509692 /nfs/dbraw/zinc/50/96/92/1061509692.db2.gz ROKMZEHUACJPDB-UHFFFAOYSA-N 1 2 454.604 2.636 20 0 JFADLO CC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccsc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001286925633 1061535491 /nfs/dbraw/zinc/53/54/91/1061535491.db2.gz DCMORVUBQLIUBZ-LJQANCHMSA-N 1 2 453.616 2.792 20 0 JFADLO Cc1ccc(SCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2CC[N@@H+]2CCOCC2(C)C)cc1 ZINC001289868780 1061550977 /nfs/dbraw/zinc/55/09/77/1061550977.db2.gz WFKDNSVEPBWBMJ-DEOSSOPVSA-N 1 2 472.659 2.691 20 0 JFADLO Cc1ccc(SCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2CC[N@H+]2CCOCC2(C)C)cc1 ZINC001289868780 1061550990 /nfs/dbraw/zinc/55/09/90/1061550990.db2.gz WFKDNSVEPBWBMJ-DEOSSOPVSA-N 1 2 472.659 2.691 20 0 JFADLO CCC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccc(N(CC)CC)[nH+]c2)CCO1 ZINC001294096251 1061574885 /nfs/dbraw/zinc/57/48/85/1061574885.db2.gz FVLVHHPMMYNPLT-HXUWFJFHSA-N 1 2 455.607 2.695 20 0 JFADLO Cc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001289893255 1061578134 /nfs/dbraw/zinc/57/81/34/1061578134.db2.gz GCRJMBMAAPWSON-JOCHJYFZSA-N 1 2 469.634 2.599 20 0 JFADLO Cc1cccc([C@H](Cn2c(C(C)C)nnc2N(C)CCNC(=O)C(C)C)[NH+]2CCOCC2)c1 ZINC001289894660 1061580247 /nfs/dbraw/zinc/58/02/47/1061580247.db2.gz VEVQVAFEJGLWIG-QFIPXVFZSA-N 1 2 456.635 2.992 20 0 JFADLO Cc1cccc([C@H](Cn2c(CC(C)C)nnc2N2CC[C@](C)(C(N)=O)C2)[NH+]2CCOCC2)c1 ZINC001289894870 1061580722 /nfs/dbraw/zinc/58/07/22/1061580722.db2.gz ZNBSWHZTQUTSHT-OFVILXPXSA-N 1 2 454.619 2.560 20 0 JFADLO Cc1cccc(C)c1NC(=O)Cn1c(C(C)C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001289895848 1061583219 /nfs/dbraw/zinc/58/32/19/1061583219.db2.gz NPFGRCWOKCYMGH-NRFANRHFSA-N 1 2 481.645 2.790 20 0 JFADLO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCCNc2cccc[nH+]2)CCO1 ZINC001286942694 1061596287 /nfs/dbraw/zinc/59/62/87/1061596287.db2.gz WSFXFQJEJWPCRZ-HXUWFJFHSA-N 1 2 469.977 2.837 20 0 JFADLO CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C[C@H]1[C@@H]1CCCO1 ZINC001294156974 1061642011 /nfs/dbraw/zinc/64/20/11/1061642011.db2.gz MIEYWWGIKXFRRD-WOZUAGRISA-N 1 2 451.608 2.504 20 0 JFADLO Cc1cccc(-c2nnc(N3CC[C@@H]([NH+]4CCN(C(C)C)CC4)C3)n2CCC(=O)NC(C)(C)C)n1 ZINC001289954477 1061649514 /nfs/dbraw/zinc/64/95/14/1061649514.db2.gz MIXQREUDYSIAOR-OAQYLSRUSA-N 1 2 482.677 2.558 20 0 JFADLO CC(=O)NC[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CCO1 ZINC001286948682 1061661703 /nfs/dbraw/zinc/66/17/03/1061661703.db2.gz USVJTPUGJNEVAL-PXNSSMCTSA-N 1 2 478.588 2.789 20 0 JFADLO Cc1cccc(-c2nnc(N3CCc4c(cc[nH+]c4N(C)C)C3)n2CCCCCS(C)(=O)=O)n1 ZINC001289959214 1061661860 /nfs/dbraw/zinc/66/18/60/1061661860.db2.gz DSESNWHKXZXKGV-UHFFFAOYSA-N 1 2 483.642 2.887 20 0 JFADLO Cc1cccc(-c2nnc(N3CC[NH+]([C@@H](C)C(=O)N4CCCC4)CC3)n2C[C@](C)(O)CCC(C)C)n1 ZINC001289981338 1061703768 /nfs/dbraw/zinc/70/37/68/1061703768.db2.gz SJWNHIBOSJLXDW-WXVAWEFUSA-N 1 2 497.688 2.969 20 0 JFADLO Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)[nH+]1 ZINC001290004267 1061730859 /nfs/dbraw/zinc/73/08/59/1061730859.db2.gz ZIYQBBKLXNPPIL-FQEVSTJZSA-N 1 2 469.634 2.884 20 0 JFADLO Cc1cccc(CCCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C(F)(F)F)C2)[nH+]1 ZINC001290009019 1061733101 /nfs/dbraw/zinc/73/31/01/1061733101.db2.gz HWHOLOFKALKNJF-KRWDZBQOSA-N 1 2 452.481 2.504 20 0 JFADLO Cc1cccc(CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2ccsc2)[nH+]1 ZINC001290010269 1061734896 /nfs/dbraw/zinc/73/48/96/1061734896.db2.gz SDAMZPXYMBFLJI-HXUWFJFHSA-N 1 2 490.655 2.645 20 0 JFADLO Cc1cccc(CCCn2c(Cc3ccc(F)cc3)nnc2N2CCC(NS(C)(=O)=O)CC2)[nH+]1 ZINC001290010685 1061735183 /nfs/dbraw/zinc/73/51/83/1061735183.db2.gz WILDZEDJHJPLNV-UHFFFAOYSA-N 1 2 486.617 2.862 20 0 JFADLO O=C(CC1([NH+]2CCOCC2)CCCC1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC001294227408 1061741310 /nfs/dbraw/zinc/74/13/10/1061741310.db2.gz UXZIKXANQDXQPF-UHFFFAOYSA-N 1 2 450.586 2.918 20 0 JFADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2nnc(C(C)(C)C)s2)CC1 ZINC001286970378 1061747574 /nfs/dbraw/zinc/74/75/74/1061747574.db2.gz CIKIRAPSHQXCME-KRWDZBQOSA-N 1 2 488.706 2.906 20 0 JFADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)C(F)(F)F)CC1 ZINC001286972125 1061752286 /nfs/dbraw/zinc/75/22/86/1061752286.db2.gz OFDUREZIASBHPN-SFHVURJKSA-N 1 2 493.578 2.985 20 0 JFADLO C[C@H]([C@H](C)N(C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCCC2)[nH+]c1)S(C)(=O)=O ZINC001286974592 1061769882 /nfs/dbraw/zinc/76/98/82/1061769882.db2.gz HNIXURFQQZVNTE-RBUKOAKNSA-N 1 2 483.642 2.565 20 0 JFADLO C[C@H]([C@H](C)N(C)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCCC2)[nH+]c1)S(C)(=O)=O ZINC001286975949 1061780212 /nfs/dbraw/zinc/78/02/12/1061780212.db2.gz DULCYLFNSRTHLQ-ZWKOTPCHSA-N 1 2 471.631 2.585 20 0 JFADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CC2CC2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001286977666 1061792046 /nfs/dbraw/zinc/79/20/46/1061792046.db2.gz OBRJZZGEXJBCHK-MSOLQXFVSA-N 1 2 460.648 2.922 20 0 JFADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CC2CC2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001286977671 1061792147 /nfs/dbraw/zinc/79/21/47/1061792147.db2.gz OBRJZZGEXJBCHK-QZTJIDSGSA-N 1 2 460.648 2.922 20 0 JFADLO Cc1ccccc1-c1nnc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)n1CCCCCO ZINC001290128271 1061859255 /nfs/dbraw/zinc/85/92/55/1061859255.db2.gz CIILTGOBRIZVMH-UHFFFAOYSA-N 1 2 454.619 2.551 20 0 JFADLO Cc1ccccc1[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H](C(C)C)[NH+]2CCOCC2)CCO1 ZINC001290145064 1061882745 /nfs/dbraw/zinc/88/27/45/1061882745.db2.gz JVEUNEROIQKUIP-PKTZIBPZSA-N 1 2 484.645 2.659 20 0 JFADLO CCCCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001294367109 1061937322 /nfs/dbraw/zinc/93/73/22/1061937322.db2.gz ULQFVTUALFIRCW-HXUWFJFHSA-N 1 2 455.607 2.772 20 0 JFADLO O=C(OCc1ccccc1)N1CC[C@](F)(C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC001290249087 1061988280 /nfs/dbraw/zinc/98/82/80/1061988280.db2.gz YIZJVZIXIWNIMQ-RUZDIDTESA-N 1 2 455.530 2.886 20 0 JFADLO CC1=CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCCCC3)[nH+]c2)CC1 ZINC001290251423 1061990025 /nfs/dbraw/zinc/99/00/25/1061990025.db2.gz PZOLTSUYSBBSMC-LJQANCHMSA-N 1 2 473.647 2.868 20 0 JFADLO Cc1cn2c([nH+]1)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)CCC2 ZINC001290286870 1062015687 /nfs/dbraw/zinc/01/56/87/1062015687.db2.gz DGYGBCOSOVUFOF-ROUUACIJSA-N 1 2 486.621 2.602 20 0 JFADLO CC(C)(C)[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(F)c(F)c2)CC1 ZINC001287043809 1062017162 /nfs/dbraw/zinc/01/71/62/1062017162.db2.gz MNIXFFDRWVZIGZ-KRWDZBQOSA-N 1 2 467.586 2.622 20 0 JFADLO CC(C)(C)[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOC2CCCCCC2)CC1 ZINC001287044078 1062018134 /nfs/dbraw/zinc/01/81/34/1062018134.db2.gz OSDCSGBWENQONB-LJQANCHMSA-N 1 2 467.680 2.840 20 0 JFADLO CC(C)(C)[NH+]1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001287044550 1062019857 /nfs/dbraw/zinc/01/98/57/1062019857.db2.gz UGGGZKCCJDYZSE-NRFANRHFSA-N 1 2 459.660 2.809 20 0 JFADLO Cc1cn2c([nH+]1)[C@H](Cn1c(N(C)CC(=O)NC(C)(C)C)nnc1[C@]1(OC(C)C)CCOC1)CCC2 ZINC001290296227 1062026224 /nfs/dbraw/zinc/02/62/24/1062026224.db2.gz RIBGBDGMXOOVPA-DFBJGRDBSA-N 1 2 487.649 2.752 20 0 JFADLO CCCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001294498398 1062036562 /nfs/dbraw/zinc/03/65/62/1062036562.db2.gz UTEUXRVJKZJAPN-MOPGFXCFSA-N 1 2 466.627 2.544 20 0 JFADLO CCCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001294498398 1062036588 /nfs/dbraw/zinc/03/65/88/1062036588.db2.gz UTEUXRVJKZJAPN-MOPGFXCFSA-N 1 2 466.627 2.544 20 0 JFADLO CC(C)(C)OC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCCNc2cccc[nH+]2)CC1 ZINC001287054769 1062067451 /nfs/dbraw/zinc/06/74/51/1062067451.db2.gz IPHWCACQFRFWMP-GOSISDBHSA-N 1 2 457.579 2.736 20 0 JFADLO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001294571076 1062083878 /nfs/dbraw/zinc/08/38/78/1062083878.db2.gz BNTAWIRTLFAOQI-ZBFHGGJFSA-N 1 2 456.381 2.884 20 0 JFADLO C[C@@H](Oc1cccc(Br)c1)C(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001294571076 1062083902 /nfs/dbraw/zinc/08/39/02/1062083902.db2.gz BNTAWIRTLFAOQI-ZBFHGGJFSA-N 1 2 456.381 2.884 20 0 JFADLO CCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001294603343 1062113383 /nfs/dbraw/zinc/11/33/83/1062113383.db2.gz YRYKASIJKMPZTC-GOSISDBHSA-N 1 2 456.591 2.505 20 0 JFADLO Cc1nc(Cc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@H](c2ccsc2)[NH+](C)C)cs1 ZINC001290420890 1062156321 /nfs/dbraw/zinc/15/63/21/1062156321.db2.gz GKEVFOCHBWMQLD-ROUUACIJSA-N 1 2 480.685 2.622 20 0 JFADLO Cc1nc(CCn2c(CC(C)C)nnc2N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)cs1 ZINC001290462609 1062245704 /nfs/dbraw/zinc/24/57/04/1062245704.db2.gz IHAFJNPFSLYULG-SFHVURJKSA-N 1 2 459.664 2.617 20 0 JFADLO O=C(c1cc(-c2ccc(OC(F)(F)F)cc2)n[nH]1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC001294691625 1062250500 /nfs/dbraw/zinc/25/05/00/1062250500.db2.gz XDCUHGNIDROPMD-KRWDZBQOSA-N 1 2 454.449 2.539 20 0 JFADLO CC(C)(C)S(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001287084571 1062252758 /nfs/dbraw/zinc/25/27/58/1062252758.db2.gz SANQOWRFSLGQQF-FQEVSTJZSA-N 1 2 463.623 2.896 20 0 JFADLO CC(C)(C)S(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001287084571 1062252780 /nfs/dbraw/zinc/25/27/80/1062252780.db2.gz SANQOWRFSLGQQF-FQEVSTJZSA-N 1 2 463.623 2.896 20 0 JFADLO CC(C)(C)[S@@](=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001287088633 1062272297 /nfs/dbraw/zinc/27/22/97/1062272297.db2.gz PREZIINWJKMLFS-IQVDJAOASA-N 1 2 481.066 2.699 20 0 JFADLO Cc1ncc(C[NH+]2CCN(c3nnc(CC(C)C)n3Cc3ncnn3C(C)(C)C)CC2)s1 ZINC001290496365 1062285501 /nfs/dbraw/zinc/28/55/01/1062285501.db2.gz KUSBFCIBCAZRIH-UHFFFAOYSA-N 1 2 457.652 2.959 20 0 JFADLO CC(C)(C)OC(=O)NC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001287091823 1062285833 /nfs/dbraw/zinc/28/58/33/1062285833.db2.gz MQHGUTYLXSWBLB-UHFFFAOYSA-N 1 2 479.589 2.760 20 0 JFADLO Cc1ncc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3CC(=O)NCc3ccco3)CC2)s1 ZINC001290498895 1062291235 /nfs/dbraw/zinc/29/12/35/1062291235.db2.gz YJCJSJOXSPABTF-UHFFFAOYSA-N 1 2 457.604 2.572 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCN(c4cc[nH+]c(C)n4)CC3)n2CC(C)(C)O)cc1C ZINC001290501249 1062293242 /nfs/dbraw/zinc/29/32/42/1062293242.db2.gz JIUIQTBUILZHFT-UHFFFAOYSA-N 1 2 451.575 2.670 20 0 JFADLO Cc1nc(N2CCN(c3nnc(CC(C)C)n3CCCN3CCCCCC3=O)CC2)cc[nH+]1 ZINC001290501340 1062293277 /nfs/dbraw/zinc/29/32/77/1062293277.db2.gz JWUBQLOFVJYZRO-UHFFFAOYSA-N 1 2 454.623 2.694 20 0 JFADLO CCCN1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)[NH+]2CCOCC2)CC1=O ZINC001294741296 1062327098 /nfs/dbraw/zinc/32/70/98/1062327098.db2.gz YBFSVQHURPNQEV-QFIPXVFZSA-N 1 2 484.645 2.643 20 0 JFADLO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC2([S@](C)=O)CCC2)CC1 ZINC001290562135 1062363181 /nfs/dbraw/zinc/36/31/81/1062363181.db2.gz CDADNMXODAYFGQ-XIFFEERXSA-N 1 2 475.707 2.840 20 0 JFADLO CC(C)C(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001287126530 1062392878 /nfs/dbraw/zinc/39/28/78/1062392878.db2.gz ULKHFXHTSXMFFE-TZIWHRDSSA-N 1 2 469.634 2.670 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N(C)CC(F)(F)F)n2Cc2ccc(N3CCO[C@H](C)C3)[nH+]c2)n1 ZINC001290595045 1062417107 /nfs/dbraw/zinc/41/71/07/1062417107.db2.gz ZOVICWNJGLTRMO-QGZVFWFLSA-N 1 2 478.523 2.807 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(Br)o3)n2C[C@@H](C)[NH+]2CCOCC2)n1 ZINC001290599725 1062430305 /nfs/dbraw/zinc/43/03/05/1062430305.db2.gz YFSOVFVKHSWWTL-QGZVFWFLSA-N 1 2 492.422 2.852 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2CC[N@H+]2CCOC[C@@H]2C)n1 ZINC001290603796 1062436044 /nfs/dbraw/zinc/43/60/44/1062436044.db2.gz FBYGLZJWJUPZIJ-INIZCTEOSA-N 1 2 498.579 2.972 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2CC[N@@H+]2CCOC[C@@H]2C)n1 ZINC001290603796 1062436051 /nfs/dbraw/zinc/43/60/51/1062436051.db2.gz FBYGLZJWJUPZIJ-INIZCTEOSA-N 1 2 498.579 2.972 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N(C)CC[NH+]3CCOCC3)n2CCOc2ccc(F)c(Cl)c2)n1 ZINC001290612966 1062460841 /nfs/dbraw/zinc/46/08/41/1062460841.db2.gz YCNHWIVLKKHHNK-UHFFFAOYSA-N 1 2 491.999 2.780 20 0 JFADLO CCCNC(=O)[C@H]1CCCN(c2nnc(COCC)n2Cc2ccc(N3CCCC3)[nH+]c2)C1 ZINC001294812703 1062485983 /nfs/dbraw/zinc/48/59/83/1062485983.db2.gz WSPFSKAQSLNOMV-FQEVSTJZSA-N 1 2 455.607 2.601 20 0 JFADLO CC(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001287158549 1062551723 /nfs/dbraw/zinc/55/17/23/1062551723.db2.gz TVRAFSMXOCWWMJ-NHCUHLMSSA-N 1 2 476.666 2.655 20 0 JFADLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCCN(C(=O)c3cccc(C)c3)CC1)CC2 ZINC001290667724 1062577986 /nfs/dbraw/zinc/57/79/86/1062577986.db2.gz AONGSYSHUJMLAY-UHFFFAOYSA-N 1 2 451.567 2.745 20 0 JFADLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCCN(C(=O)c3cccc(C)c3)CC1)CC2 ZINC001290667724 1062578007 /nfs/dbraw/zinc/57/80/07/1062578007.db2.gz AONGSYSHUJMLAY-UHFFFAOYSA-N 1 2 451.567 2.745 20 0 JFADLO CC(C)c1ncc(CN(C)c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCOC[C@@H]2C)cn1 ZINC001287172703 1062592824 /nfs/dbraw/zinc/59/28/24/1062592824.db2.gz SXCKZMDXMRFJAN-IBGZPJMESA-N 1 2 450.591 2.534 20 0 JFADLO CC(C)c1ncc(CN(C)c2nnc(Cc3ccncc3)n2CC[N@H+]2CCOC[C@@H]2C)cn1 ZINC001287172703 1062592846 /nfs/dbraw/zinc/59/28/46/1062592846.db2.gz SXCKZMDXMRFJAN-IBGZPJMESA-N 1 2 450.591 2.534 20 0 JFADLO CC(C)c1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1CC1(S(C)(=O)=O)CCC1 ZINC001287185993 1062612667 /nfs/dbraw/zinc/61/26/67/1062612667.db2.gz SAHIYHRCXNVKLL-AZUAARDMSA-N 1 2 477.679 2.622 20 0 JFADLO CC(C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1CC1(S(C)(=O)=O)CCC1 ZINC001287185993 1062612673 /nfs/dbraw/zinc/61/26/73/1062612673.db2.gz SAHIYHRCXNVKLL-AZUAARDMSA-N 1 2 477.679 2.622 20 0 JFADLO COc1ccc(C(=O)NCc2ccn3cc[nH+]c3c2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC001294897633 1062629962 /nfs/dbraw/zinc/62/99/62/1062629962.db2.gz QJAOSYFEFFRFTA-IRXDYDNUSA-N 1 2 456.568 2.940 20 0 JFADLO Cc1nnc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001290701620 1062637319 /nfs/dbraw/zinc/63/73/19/1062637319.db2.gz IBPBQTUCABZYMA-IAQAZVPISA-N 1 2 454.600 2.801 20 0 JFADLO CC(C)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1Cc1cccc(OCC(=O)N(C)C)c1 ZINC001287203649 1062647998 /nfs/dbraw/zinc/64/79/98/1062647998.db2.gz NFEQPGZIBOVZNO-UHFFFAOYSA-N 1 2 477.613 2.941 20 0 JFADLO Cc1nn(C)c(C)c1OCC(=O)N1CC[NH+](CCCc2nc(-c3ccc(C)cc3)no2)CC1 ZINC001290777435 1062691879 /nfs/dbraw/zinc/69/18/79/1062691879.db2.gz IIXPFOBHWIBONF-UHFFFAOYSA-N 1 2 452.559 2.551 20 0 JFADLO CCCOc1ccc(-c2nnc(N3CCN(c4cccc[nH+]4)CC3)n2CCC(=O)NC)cc1OC ZINC001294938937 1062718192 /nfs/dbraw/zinc/71/81/92/1062718192.db2.gz MKBBXUCALHYWNM-UHFFFAOYSA-N 1 2 479.585 2.600 20 0 JFADLO CCCOc1ccc(-c2nnc(N3CCNC(=O)[C@H]3CC)n2Cc2c[nH+]ccc2OC)cc1OC ZINC001294940133 1062724464 /nfs/dbraw/zinc/72/44/64/1062724464.db2.gz MKPFMBHXNCACJR-LJQANCHMSA-N 1 2 480.569 2.909 20 0 JFADLO CCCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)C)CC2)cc1OC ZINC001294959109 1062741977 /nfs/dbraw/zinc/74/19/77/1062741977.db2.gz DCCCASOIJSVFSA-FQEVSTJZSA-N 1 2 491.658 2.556 20 0 JFADLO Cc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCc1ccc(F)cc1Cl ZINC001290875798 1062759676 /nfs/dbraw/zinc/75/96/76/1062759676.db2.gz GEFURLPMSZOOEI-NRFANRHFSA-N 1 2 465.017 2.853 20 0 JFADLO Cc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCC1CC(OC(C)(C)C)C1 ZINC001290875915 1062760707 /nfs/dbraw/zinc/76/07/07/1062760707.db2.gz HJGUADRPUYBCCU-XPPIMPSXSA-N 1 2 462.683 2.802 20 0 JFADLO CCCO[C@@H]1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001294999660 1062785701 /nfs/dbraw/zinc/78/57/01/1062785701.db2.gz YXKAPGPMVZEYQO-FBLLAGFSSA-N 1 2 479.666 2.825 20 0 JFADLO CCCO[C@@H]1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001294999660 1062785724 /nfs/dbraw/zinc/78/57/24/1062785724.db2.gz YXKAPGPMVZEYQO-FBLLAGFSSA-N 1 2 479.666 2.825 20 0 JFADLO CC(C)Cc1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001287374954 1062833054 /nfs/dbraw/zinc/83/30/54/1062833054.db2.gz QHURUIZOGMILDW-FQEVSTJZSA-N 1 2 464.655 2.892 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc(CC(C)C)n3CC(=O)Nc3ccc(F)cc3)CC2)on1 ZINC001290970016 1062843575 /nfs/dbraw/zinc/84/35/75/1062843575.db2.gz NOKUHZQRLLGCTR-UHFFFAOYSA-N 1 2 455.538 2.873 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc(C(C)(C)C)n3CC[C@@H](N3CCOCC3)C(F)(F)F)CC2)on1 ZINC001290970444 1062844922 /nfs/dbraw/zinc/84/49/22/1062844922.db2.gz ROZFHYZAZPRPTM-LJQANCHMSA-N 1 2 499.582 2.847 20 0 JFADLO CCN(C)C(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001295055067 1062859317 /nfs/dbraw/zinc/85/93/17/1062859317.db2.gz GDQDBLYVUMQMSK-SFHVURJKSA-N 1 2 467.549 2.757 20 0 JFADLO CC(C)Cc1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001287427776 1062867414 /nfs/dbraw/zinc/86/74/14/1062867414.db2.gz TVCMJFORVXEGNN-HXUWFJFHSA-N 1 2 460.648 2.780 20 0 JFADLO CC(C)Cc1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001287448916 1062885464 /nfs/dbraw/zinc/88/54/64/1062885464.db2.gz HFEKUHCFQCMKOR-WOJBJXKFSA-N 1 2 451.612 2.932 20 0 JFADLO CC(C)NC(=O)c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001290997367 1062889536 /nfs/dbraw/zinc/88/95/36/1062889536.db2.gz CGVBPJAUUKFRBM-GUDVDZBRSA-N 1 2 455.607 2.567 20 0 JFADLO CC(C)Cc1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001287455222 1062891335 /nfs/dbraw/zinc/89/13/35/1062891335.db2.gz ZNDJJRTVTOIVIF-HXUWFJFHSA-N 1 2 472.609 2.689 20 0 JFADLO C[C@@H]1C[C@H](C)CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001291007342 1062903628 /nfs/dbraw/zinc/90/36/28/1062903628.db2.gz YASFGCFZVYNESI-PLACYPQZSA-N 1 2 492.665 2.790 20 0 JFADLO C[C@@H]1C[C@H](C)CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001291007342 1062903662 /nfs/dbraw/zinc/90/36/62/1062903662.db2.gz YASFGCFZVYNESI-PLACYPQZSA-N 1 2 492.665 2.790 20 0 JFADLO C[C@@H]1C[C@H](C)CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001291007343 1062903755 /nfs/dbraw/zinc/90/37/55/1062903755.db2.gz YASFGCFZVYNESI-WOZUAGRISA-N 1 2 492.665 2.790 20 0 JFADLO C[C@@H]1C[C@H](C)CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001291007343 1062903778 /nfs/dbraw/zinc/90/37/78/1062903778.db2.gz YASFGCFZVYNESI-WOZUAGRISA-N 1 2 492.665 2.790 20 0 JFADLO CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001295092456 1062927134 /nfs/dbraw/zinc/92/71/34/1062927134.db2.gz MUXDJFSSQFZNRF-UHFFFAOYSA-N 1 2 460.380 2.782 20 0 JFADLO C[C@@H]1C[C@H](CCn2c(COc3ccccc3F)nnc2N(C)CC[NH+]2CCOCC2)CCO1 ZINC001291020705 1062936707 /nfs/dbraw/zinc/93/67/07/1062936707.db2.gz JMCXVNCVTVLQMR-WOJBJXKFSA-N 1 2 461.582 2.970 20 0 JFADLO C[C@H]1C[C@@H](CCn2c(COc3ccccc3F)nnc2N(C)CC[NH+]2CCOCC2)CCO1 ZINC001291020702 1062936736 /nfs/dbraw/zinc/93/67/36/1062936736.db2.gz JMCXVNCVTVLQMR-PMACEKPBSA-N 1 2 461.582 2.970 20 0 JFADLO C[C@H]1C[C@H](CCn2c(COc3ccccc3F)nnc2N(C)CC[NH+]2CCOCC2)CCO1 ZINC001291020704 1062936927 /nfs/dbraw/zinc/93/69/27/1062936927.db2.gz JMCXVNCVTVLQMR-VQTJNVASSA-N 1 2 461.582 2.970 20 0 JFADLO C[C@H]1C[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC[NH+]2CCOCC2)CCO1 ZINC001291022796 1062942779 /nfs/dbraw/zinc/94/27/79/1062942779.db2.gz LOYWGZCGLVJSJA-JKSUJKDBSA-N 1 2 467.412 2.619 20 0 JFADLO CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1)C(C)C ZINC001295144375 1062961854 /nfs/dbraw/zinc/96/18/54/1062961854.db2.gz HSWWTLUKFIFXFH-SFHVURJKSA-N 1 2 463.652 2.803 20 0 JFADLO CCN(c1nnc(-c2ccccc2C)n1C[C@H]1C[N@H+](CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001295180691 1063003389 /nfs/dbraw/zinc/00/33/89/1063003389.db2.gz ZYRNTOHXAPHGHY-NHCUHLMSSA-N 1 2 475.659 2.624 20 0 JFADLO CCN(c1nnc(-c2ccccc2C)n1C[C@H]1C[N@@H+](CC(C)C)CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001295180691 1063003416 /nfs/dbraw/zinc/00/34/16/1063003416.db2.gz ZYRNTOHXAPHGHY-NHCUHLMSSA-N 1 2 475.659 2.624 20 0 JFADLO CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C)C(C)C ZINC001295220374 1063039660 /nfs/dbraw/zinc/03/96/60/1063039660.db2.gz XQJXXPQAUWXLAY-RTBURBONSA-N 1 2 466.627 2.542 20 0 JFADLO CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C)C(C)C ZINC001295220374 1063039680 /nfs/dbraw/zinc/03/96/80/1063039680.db2.gz XQJXXPQAUWXLAY-RTBURBONSA-N 1 2 466.627 2.542 20 0 JFADLO CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC[C@@H]1C)C(C)C ZINC001295220369 1063039714 /nfs/dbraw/zinc/03/97/14/1063039714.db2.gz XQJXXPQAUWXLAY-OALUTQOASA-N 1 2 466.627 2.542 20 0 JFADLO CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC[C@@H]1C)C(C)C ZINC001295220369 1063039727 /nfs/dbraw/zinc/03/97/27/1063039727.db2.gz XQJXXPQAUWXLAY-OALUTQOASA-N 1 2 466.627 2.542 20 0 JFADLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3F)n2CCOCC(F)F)CC1 ZINC001291095158 1063054374 /nfs/dbraw/zinc/05/43/74/1063054374.db2.gz GSGJVHVJNFFZTI-GOSISDBHSA-N 1 2 494.562 2.889 20 0 JFADLO CCN(CC(C)C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC(C)(C)[NH+]1CCOCC1 ZINC001295280544 1063121770 /nfs/dbraw/zinc/12/17/70/1063121770.db2.gz ILLMQRDKLPKVDJ-UHFFFAOYSA-N 1 2 467.618 2.785 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCC=CO2)CC1 ZINC001295334906 1063243268 /nfs/dbraw/zinc/24/32/68/1063243268.db2.gz ISVQFMZTJZAIRO-JOCHJYFZSA-N 1 2 468.602 2.637 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccn3)n2CCCC2CCOCC2)CC1 ZINC001295335516 1063252605 /nfs/dbraw/zinc/25/26/05/1063252605.db2.gz AEERGDRAJIZVAW-UHFFFAOYSA-N 1 2 469.634 2.537 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3)n2Cc2c(C)noc2C)CC1 ZINC001295335664 1063254427 /nfs/dbraw/zinc/25/44/27/1063254427.db2.gz DZKCSUKPMADABF-UHFFFAOYSA-N 1 2 451.575 2.589 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3C)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001295336179 1063256621 /nfs/dbraw/zinc/25/66/21/1063256621.db2.gz NPNYWMYVBZMHMO-UHFFFAOYSA-N 1 2 499.660 2.769 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(C)CC2)CC1 ZINC001295336480 1063257929 /nfs/dbraw/zinc/25/79/29/1063257929.db2.gz RCFORPBBGUELNA-UHFFFAOYSA-N 1 2 470.618 2.753 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(OC)cc2OC)CC1 ZINC001295336695 1063260242 /nfs/dbraw/zinc/26/02/42/1063260242.db2.gz WAOUHJQQMQRBAF-UHFFFAOYSA-N 1 2 496.612 2.902 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccs2)CC1 ZINC001295340753 1063269894 /nfs/dbraw/zinc/26/98/94/1063269894.db2.gz ZUSMKDAGWFGWDP-UHFFFAOYSA-N 1 2 453.616 2.749 20 0 JFADLO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCCS(C)(=O)=O)C[C@@H](C)O1 ZINC001291186157 1063289509 /nfs/dbraw/zinc/28/95/09/1063289509.db2.gz AQKWVZMABSZQTP-IAGOWNOFSA-N 1 2 499.081 2.752 20 0 JFADLO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001291189502 1063310885 /nfs/dbraw/zinc/31/08/85/1063310885.db2.gz BYXNNOKOSPOIPE-OAHLLOKOSA-N 1 2 471.512 2.723 20 0 JFADLO CC(C)c1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001291195727 1063335385 /nfs/dbraw/zinc/33/53/85/1063335385.db2.gz XCDLAVMAFAVNKZ-FUHWJXTLSA-N 1 2 495.550 2.575 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3cccc(OC)c3)nnc2N2CC(=O)N(C)[C@H](C)C2)c[nH+]1 ZINC001295413084 1063412240 /nfs/dbraw/zinc/41/22/40/1063412240.db2.gz KXPQPTCPRKOMDP-GOSISDBHSA-N 1 2 463.586 2.910 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3cccn3C)nnc2N2CCC(S(C)(=O)=O)CC2)c[nH+]1 ZINC001295412989 1063412330 /nfs/dbraw/zinc/41/23/30/1063412330.db2.gz JMWKYFHFRDUTIW-UHFFFAOYSA-N 1 2 471.631 2.587 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@](C)(C(N)=O)C2)c[nH+]1 ZINC001295413874 1063414473 /nfs/dbraw/zinc/41/44/73/1063414473.db2.gz UHLJSAVQTTZNEW-QHCPKHFHSA-N 1 2 468.993 2.985 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCN(C)C(=O)[C@H]2C)c[nH+]1 ZINC001295414198 1063416697 /nfs/dbraw/zinc/41/66/97/1063416697.db2.gz XKTIJNFJNRVHAF-GOSISDBHSA-N 1 2 493.612 2.919 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3ccccc3OC)nnc2N2CC[C@@H](S(C)(=O)=O)C2)c[nH+]1 ZINC001295414288 1063416743 /nfs/dbraw/zinc/41/67/43/1063416743.db2.gz YIDBEJPTOSVLGU-LJQANCHMSA-N 1 2 484.626 2.867 20 0 JFADLO CCN(CC)c1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)c[nH+]1 ZINC001295420406 1063432884 /nfs/dbraw/zinc/43/28/84/1063432884.db2.gz ZKJJOLUUDUHKHI-LJQANCHMSA-N 1 2 489.671 2.547 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2C[C@H](C)C[C@H](C)C2)c[nH+]1 ZINC001295420727 1063434844 /nfs/dbraw/zinc/43/48/44/1063434844.db2.gz XKQPWIMBGLRVMU-NSHGMRRFSA-N 1 2 460.648 2.952 20 0 JFADLO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCCNc2cccc[nH+]2)C[C@H](C(F)(F)F)O1 ZINC001291235140 1063499530 /nfs/dbraw/zinc/49/95/30/1063499530.db2.gz JFDRRJKUPLYWAU-GDBMZVCRSA-N 1 2 450.469 2.732 20 0 JFADLO C[N@H+](CC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)[C@@H]1CCC[C@H]1O ZINC001295504149 1063539902 /nfs/dbraw/zinc/53/99/02/1063539902.db2.gz DPNRMADNMWDKGZ-IEBWSBKVSA-N 1 2 453.948 2.630 20 0 JFADLO C[N@@H+](CC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)[C@@H]1CCC[C@H]1O ZINC001295504149 1063539934 /nfs/dbraw/zinc/53/99/34/1063539934.db2.gz DPNRMADNMWDKGZ-IEBWSBKVSA-N 1 2 453.948 2.630 20 0 JFADLO CCN(Cc1c(F)cccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001295579515 1063621553 /nfs/dbraw/zinc/62/15/53/1063621553.db2.gz PZXFZOXPVTXRLR-QGZVFWFLSA-N 1 2 465.570 2.747 20 0 JFADLO CCN(Cc1c(F)cccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CC=CCC1 ZINC001295579515 1063621563 /nfs/dbraw/zinc/62/15/63/1063621563.db2.gz PZXFZOXPVTXRLR-QGZVFWFLSA-N 1 2 465.570 2.747 20 0 JFADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(C)(F)F ZINC001291287690 1063641348 /nfs/dbraw/zinc/64/13/48/1063641348.db2.gz GKXOTKMUNNGLML-MJGOQNOKSA-N 1 2 467.586 2.936 20 0 JFADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(C)(F)F ZINC001291287690 1063641355 /nfs/dbraw/zinc/64/13/55/1063641355.db2.gz GKXOTKMUNNGLML-MJGOQNOKSA-N 1 2 467.586 2.936 20 0 JFADLO C[C@@H]1C[NH+](CCCn2c(-c3cccc(Cl)c3)nnc2N(C)CCS(C)(=O)=O)C[C@@H](C)O1 ZINC001291287797 1063643106 /nfs/dbraw/zinc/64/31/06/1063643106.db2.gz HWXCSFSHMCHUMY-IAGOWNOFSA-N 1 2 470.039 2.579 20 0 JFADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccccc2Cl)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291289844 1063659311 /nfs/dbraw/zinc/65/93/11/1063659311.db2.gz QVPGWTLESLUYHU-RCCFBDPRSA-N 1 2 484.066 2.967 20 0 JFADLO CCN(Cc1cnn(C)c1)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001295650977 1063694129 /nfs/dbraw/zinc/69/41/29/1063694129.db2.gz TXEQPXJLCWEIKZ-XMMPIXPASA-N 1 2 468.606 2.588 20 0 JFADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291295395 1063695021 /nfs/dbraw/zinc/69/50/21/1063695021.db2.gz YNNFEBKEZFWYQN-YMQHIKHWSA-N 1 2 499.722 2.565 20 0 JFADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291295395 1063695027 /nfs/dbraw/zinc/69/50/27/1063695027.db2.gz YNNFEBKEZFWYQN-YMQHIKHWSA-N 1 2 499.722 2.565 20 0 JFADLO C[C@@H]1COCCN1c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001291301556 1063709678 /nfs/dbraw/zinc/70/96/78/1063709678.db2.gz FQTCKOURUFHTCM-CQSZACIVSA-N 1 2 460.380 2.781 20 0 JFADLO CCN(CC1CC1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001295694273 1063723232 /nfs/dbraw/zinc/72/32/32/1063723232.db2.gz QHUYLRAXSXYIAK-QUCCMNQESA-N 1 2 478.638 2.544 20 0 JFADLO CCN(CC1CC1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001295694273 1063723245 /nfs/dbraw/zinc/72/32/45/1063723245.db2.gz QHUYLRAXSXYIAK-QUCCMNQESA-N 1 2 478.638 2.544 20 0 JFADLO CC(C)N(C)C(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001291308233 1063728055 /nfs/dbraw/zinc/72/80/55/1063728055.db2.gz KJFWXHPECKVDBR-FQEVSTJZSA-N 1 2 486.636 2.812 20 0 JFADLO CC(C)N(C)C(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001291308233 1063728069 /nfs/dbraw/zinc/72/80/69/1063728069.db2.gz KJFWXHPECKVDBR-FQEVSTJZSA-N 1 2 486.636 2.812 20 0 JFADLO CC(C)N(C)C(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001291308234 1063728198 /nfs/dbraw/zinc/72/81/98/1063728198.db2.gz KJFWXHPECKVDBR-HXUWFJFHSA-N 1 2 486.636 2.812 20 0 JFADLO CC(C)N(C)C(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001291308234 1063728207 /nfs/dbraw/zinc/72/82/07/1063728207.db2.gz KJFWXHPECKVDBR-HXUWFJFHSA-N 1 2 486.636 2.812 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N1CCn2cc(C(F)(F)F)nc2C1 ZINC001291308665 1063730991 /nfs/dbraw/zinc/73/09/91/1063730991.db2.gz QPBZPFHHZCXDFW-HNNXBMFYSA-N 1 2 455.529 2.823 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CCn2cc(C(F)(F)F)nc2C1 ZINC001291308665 1063731004 /nfs/dbraw/zinc/73/10/04/1063731004.db2.gz QPBZPFHHZCXDFW-HNNXBMFYSA-N 1 2 455.529 2.823 20 0 JFADLO C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC[N@@H+]2CCOC[C@@H]2C)CCN1C(=O)OC(C)(C)C ZINC001291308775 1063731822 /nfs/dbraw/zinc/73/18/22/1063731822.db2.gz SKVWLSJVMBSAFE-AABGKKOBSA-N 1 2 478.638 2.686 20 0 JFADLO C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC[N@H+]2CCOC[C@@H]2C)CCN1C(=O)OC(C)(C)C ZINC001291308775 1063731835 /nfs/dbraw/zinc/73/18/35/1063731835.db2.gz SKVWLSJVMBSAFE-AABGKKOBSA-N 1 2 478.638 2.686 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001291308985 1063732403 /nfs/dbraw/zinc/73/24/03/1063732403.db2.gz WPXHBGRJYYNQRY-INIZCTEOSA-N 1 2 464.552 2.610 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001291308985 1063732424 /nfs/dbraw/zinc/73/24/24/1063732424.db2.gz WPXHBGRJYYNQRY-INIZCTEOSA-N 1 2 464.552 2.610 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(CC2CCCC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001291309258 1063733460 /nfs/dbraw/zinc/73/34/60/1063733460.db2.gz CCZMYIOSJDJDMP-QGZVFWFLSA-N 1 2 486.583 2.626 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(CC2CCCC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001291309258 1063733470 /nfs/dbraw/zinc/73/34/70/1063733470.db2.gz CCZMYIOSJDJDMP-QGZVFWFLSA-N 1 2 486.583 2.626 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(CCc2ccccc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001291309720 1063735796 /nfs/dbraw/zinc/73/57/96/1063735796.db2.gz LWHGZRTWEUYNGI-RBBKRZOGSA-N 1 2 484.645 2.887 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(CCc2ccccc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001291309720 1063735806 /nfs/dbraw/zinc/73/58/06/1063735806.db2.gz LWHGZRTWEUYNGI-RBBKRZOGSA-N 1 2 484.645 2.887 20 0 JFADLO CCN(C[C@H]1CCCO1)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001295721446 1063736047 /nfs/dbraw/zinc/73/60/47/1063736047.db2.gz GUIAPPAJUORIHC-YKSBVNFPSA-N 1 2 458.607 2.833 20 0 JFADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001291310111 1063737908 /nfs/dbraw/zinc/73/79/08/1063737908.db2.gz UAPDTBNASADAPM-MSOLQXFVSA-N 1 2 463.648 2.897 20 0 JFADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001291310111 1063737919 /nfs/dbraw/zinc/73/79/19/1063737919.db2.gz UAPDTBNASADAPM-MSOLQXFVSA-N 1 2 463.648 2.897 20 0 JFADLO CCN(C[C@@H]1CCCO1)c1nnc([C@@H](C)Oc2ccccc2F)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001295723163 1063738583 /nfs/dbraw/zinc/73/85/83/1063738583.db2.gz SOZGMVHVDWBVJB-CTNGQTDRSA-N 1 2 488.608 2.727 20 0 JFADLO CCN(C[C@H]1CCCO1)c1nnc([C@@H](C)Oc2ccccc2F)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001295723209 1063738804 /nfs/dbraw/zinc/73/88/04/1063738804.db2.gz SOZGMVHVDWBVJB-TZIWHRDSSA-N 1 2 488.608 2.727 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001291310195 1063739582 /nfs/dbraw/zinc/73/95/82/1063739582.db2.gz WBAMGXTUURVPJK-HZPDHXFCSA-N 1 2 497.427 2.586 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001291310195 1063739590 /nfs/dbraw/zinc/73/95/90/1063739590.db2.gz WBAMGXTUURVPJK-HZPDHXFCSA-N 1 2 497.427 2.586 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(Cc2ccccn2)n1CCC(=O)N(C)C ZINC001295749488 1063756076 /nfs/dbraw/zinc/75/60/76/1063756076.db2.gz REMREEBGZQLDBF-UHFFFAOYSA-N 1 2 476.629 2.880 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(-c2cnccn2)n1CCNC(=O)C(C)C ZINC001295749548 1063756458 /nfs/dbraw/zinc/75/64/58/1063756458.db2.gz RQRSZKCPXRQAQY-UHFFFAOYSA-N 1 2 477.617 2.645 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(-c2cnn(C)c2)n1CC[S@@](=O)CC ZINC001295750800 1063757507 /nfs/dbraw/zinc/75/75/07/1063757507.db2.gz WHSYCOQFMRIDTQ-XIFFEERXSA-N 1 2 470.647 2.585 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C(C)(C)C)n1CCCn1cnnn1 ZINC001295750841 1063757846 /nfs/dbraw/zinc/75/78/46/1063757846.db2.gz WYMXXGWGMDMOAJ-UHFFFAOYSA-N 1 2 452.611 2.790 20 0 JFADLO C[C@@H]1SCCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(N(C)C)[nH+]c2)[C@H]1C ZINC001291325526 1063776316 /nfs/dbraw/zinc/77/63/16/1063776316.db2.gz KCGKVEGARVWYJC-HOTGVXAUSA-N 1 2 452.588 2.765 20 0 JFADLO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001291339015 1063810297 /nfs/dbraw/zinc/81/02/97/1063810297.db2.gz FWCTVHPSVNGAQI-FQEVSTJZSA-N 1 2 463.586 2.958 20 0 JFADLO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001291340864 1063818945 /nfs/dbraw/zinc/81/89/45/1063818945.db2.gz SDGVAXUGLPRIJW-OXJNMPFZSA-N 1 2 484.555 2.811 20 0 JFADLO CCC(=O)N[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001291346064 1063843034 /nfs/dbraw/zinc/84/30/34/1063843034.db2.gz JGXVBFKHPUEUEK-OAQYLSRUSA-N 1 2 477.613 2.904 20 0 JFADLO CC[N@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)CCC(F)(F)F ZINC001295831162 1063845409 /nfs/dbraw/zinc/84/54/09/1063845409.db2.gz UUOOWNCESHBURF-HNNXBMFYSA-N 1 2 494.971 2.891 20 0 JFADLO CC[N@@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)CCC(F)(F)F ZINC001295831162 1063845422 /nfs/dbraw/zinc/84/54/22/1063845422.db2.gz UUOOWNCESHBURF-HNNXBMFYSA-N 1 2 494.971 2.891 20 0 JFADLO CC[N@H+](CCn1c(C2CCC2)nnc1N1CCC(S(C)(=O)=O)CC1)CCC(F)(F)F ZINC001295846222 1063867661 /nfs/dbraw/zinc/86/76/61/1063867661.db2.gz VPQBUABRKQDZLK-UHFFFAOYSA-N 1 2 451.559 2.833 20 0 JFADLO CC[N@@H+](CCn1c(C2CCC2)nnc1N1CCC(S(C)(=O)=O)CC1)CCC(F)(F)F ZINC001295846222 1063867671 /nfs/dbraw/zinc/86/76/71/1063867671.db2.gz VPQBUABRKQDZLK-UHFFFAOYSA-N 1 2 451.559 2.833 20 0 JFADLO CC[N@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1)CCC(F)(F)F ZINC001295853755 1063881385 /nfs/dbraw/zinc/88/13/85/1063881385.db2.gz RHIFJZZXUADWHC-KURKYZTESA-N 1 2 493.596 2.602 20 0 JFADLO CC[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1)CCC(F)(F)F ZINC001295853755 1063881392 /nfs/dbraw/zinc/88/13/92/1063881392.db2.gz RHIFJZZXUADWHC-KURKYZTESA-N 1 2 493.596 2.602 20 0 JFADLO CC[N@H+](CCn1c(CC(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1)CCC(F)(F)F ZINC001295854963 1063884129 /nfs/dbraw/zinc/88/41/29/1063884129.db2.gz ANXUFKQBSMLWON-HNNXBMFYSA-N 1 2 453.575 2.764 20 0 JFADLO CC[N@@H+](CCn1c(CC(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1)CCC(F)(F)F ZINC001295854963 1063884135 /nfs/dbraw/zinc/88/41/35/1063884135.db2.gz ANXUFKQBSMLWON-HNNXBMFYSA-N 1 2 453.575 2.764 20 0 JFADLO CC[N@H+](CCn1c(Cc2ccncc2)nnc1N1CCC(S(C)(=O)=O)CC1)CCC(F)(F)F ZINC001295860459 1063891237 /nfs/dbraw/zinc/89/12/37/1063891237.db2.gz AFLNIWNJIIWUFR-UHFFFAOYSA-N 1 2 488.580 2.552 20 0 JFADLO CC[N@@H+](CCn1c(Cc2ccncc2)nnc1N1CCC(S(C)(=O)=O)CC1)CCC(F)(F)F ZINC001295860459 1063891245 /nfs/dbraw/zinc/89/12/45/1063891245.db2.gz AFLNIWNJIIWUFR-UHFFFAOYSA-N 1 2 488.580 2.552 20 0 JFADLO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001295877570 1063918496 /nfs/dbraw/zinc/91/84/96/1063918496.db2.gz ITFYBEPUHCVZJS-SFHVURJKSA-N 1 2 491.639 2.909 20 0 JFADLO CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C)n2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001295880124 1063923992 /nfs/dbraw/zinc/92/39/92/1063923992.db2.gz BVSKUCGFUWAIOA-IBGZPJMESA-N 1 2 462.645 2.884 20 0 JFADLO CCN(CCS(C)(=O)=O)c1nnc(-c2c[nH]c3ccccc32)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001295880906 1063925558 /nfs/dbraw/zinc/92/55/58/1063925558.db2.gz IJSBEZLGYWWFFB-IBGZPJMESA-N 1 2 488.658 2.654 20 0 JFADLO CCN(CCS(C)(=O)=O)c1nnc(-c2c[nH]c3ccccc32)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001295880906 1063925568 /nfs/dbraw/zinc/92/55/68/1063925568.db2.gz IJSBEZLGYWWFFB-IBGZPJMESA-N 1 2 488.658 2.654 20 0 JFADLO CCN(CCS(C)(=O)=O)c1nnc(CC2CC2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001295886849 1063934226 /nfs/dbraw/zinc/93/42/26/1063934226.db2.gz WOWXHTMIRUQADA-UHFFFAOYSA-N 1 2 460.648 2.781 20 0 JFADLO CC[C@H](C)[C@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001291396723 1063952090 /nfs/dbraw/zinc/95/20/90/1063952090.db2.gz BBPYNIREYMRYMX-BXKMTCNYSA-N 1 2 469.638 2.667 20 0 JFADLO CC[C@H](C)[C@@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001291396726 1063952154 /nfs/dbraw/zinc/95/21/54/1063952154.db2.gz BBPYNIREYMRYMX-XDHUDOTRSA-N 1 2 469.638 2.667 20 0 JFADLO CC[C@H](C)[C@@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001291406917 1063978272 /nfs/dbraw/zinc/97/82/72/1063978272.db2.gz DNYBMLDVFSDDQL-FSJWIPBVSA-N 1 2 492.690 2.886 20 0 JFADLO CC[C@H](C)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)OC ZINC001291421825 1064002207 /nfs/dbraw/zinc/00/22/07/1064002207.db2.gz PYGWDICAJUYMPZ-RXVVDRJESA-N 1 2 450.591 2.750 20 0 JFADLO CC[C@@H](C)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1)OC ZINC001291422338 1064003328 /nfs/dbraw/zinc/00/33/28/1064003328.db2.gz XAADPUOCTHKCNU-XMSQKQJNSA-N 1 2 453.591 2.944 20 0 JFADLO CC[C@H](C)c1nnc(N(C)C[C@H]2CN(CC)c3ccccc3O2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291453366 1064020991 /nfs/dbraw/zinc/02/09/91/1064020991.db2.gz HTGKQWNRWLYJLD-UNMCSNQZSA-N 1 2 483.661 2.679 20 0 JFADLO CC[C@H](C)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C ZINC001291456966 1064022953 /nfs/dbraw/zinc/02/29/53/1064022953.db2.gz AWXKEHFNQTVJEY-XSDIEEQYSA-N 1 2 492.665 2.584 20 0 JFADLO CC[C@H](C)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C ZINC001291456963 1064023006 /nfs/dbraw/zinc/02/30/06/1064023006.db2.gz AWXKEHFNQTVJEY-JSXRDJHFSA-N 1 2 492.665 2.584 20 0 JFADLO CC[C@@H](C)c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1ccc(-n2nc(C)cc2C)nc1 ZINC001291457681 1064023934 /nfs/dbraw/zinc/02/39/34/1064023934.db2.gz QVFHHBNYTARQBD-GOSISDBHSA-N 1 2 452.607 2.806 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCC(C(=O)OC)CC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001291484733 1064041468 /nfs/dbraw/zinc/04/14/68/1064041468.db2.gz DKDHWDNDVQLCAA-MSOLQXFVSA-N 1 2 456.591 2.849 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCC(C(=O)NCCOC)CC2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001291485804 1064042723 /nfs/dbraw/zinc/04/27/23/1064042723.db2.gz VTVRZJKUFZBAJY-YLJYHZDGSA-N 1 2 457.623 2.853 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)c2ccc(F)cc2)C[C@H]1C ZINC001295994876 1064051032 /nfs/dbraw/zinc/05/10/32/1064051032.db2.gz HLRCYHZJOXOAHP-SHJAMOMRSA-N 1 2 479.622 2.626 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)c2ccc(F)cc2)C[C@H]1C ZINC001295994876 1064051039 /nfs/dbraw/zinc/05/10/39/1064051039.db2.gz HLRCYHZJOXOAHP-SHJAMOMRSA-N 1 2 479.622 2.626 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2CC2(S(C)(=O)=O)CCCC2)C[C@H]1C ZINC001296006293 1064060853 /nfs/dbraw/zinc/06/08/53/1064060853.db2.gz AIGONYFCKIPIDV-SJORKVTESA-N 1 2 480.704 2.910 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2CC2(S(C)(=O)=O)CCCC2)C[C@H]1C ZINC001296006293 1064060860 /nfs/dbraw/zinc/06/08/60/1064060860.db2.gz AIGONYFCKIPIDV-SJORKVTESA-N 1 2 480.704 2.910 20 0 JFADLO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CC2(S(C)(=O)=O)CC2)C[C@@H]1C ZINC001296008309 1064061685 /nfs/dbraw/zinc/06/16/85/1064061685.db2.gz AXVDVVZJQBDPIH-VQTJNVASSA-N 1 2 475.659 2.970 20 0 JFADLO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CC2(S(C)(=O)=O)CC2)C[C@@H]1C ZINC001296008309 1064061693 /nfs/dbraw/zinc/06/16/93/1064061693.db2.gz AXVDVVZJQBDPIH-VQTJNVASSA-N 1 2 475.659 2.970 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC(NC(=O)COC)CC2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001291511236 1064063442 /nfs/dbraw/zinc/06/34/42/1064063442.db2.gz LTGYXOGWWBUQLN-SFHVURJKSA-N 1 2 455.607 2.567 20 0 JFADLO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cn3ccc4ccccc43)n2CCS(=O)(=O)CC)C[C@@H]1C ZINC001296010720 1064069192 /nfs/dbraw/zinc/06/91/92/1064069192.db2.gz RVUFXGWEAYIKLK-RBUKOAKNSA-N 1 2 458.632 2.635 20 0 JFADLO CC[N@H+]1C[C@@H](C)N(c2nnc(Cn3ccc4ccccc43)n2CCS(=O)(=O)CC)C[C@@H]1C ZINC001296010720 1064069200 /nfs/dbraw/zinc/06/92/00/1064069200.db2.gz RVUFXGWEAYIKLK-RBUKOAKNSA-N 1 2 458.632 2.635 20 0 JFADLO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cn3ccc4ccccc43)n2CCS(=O)(=O)CC)C[C@H]1C ZINC001296010723 1064069636 /nfs/dbraw/zinc/06/96/36/1064069636.db2.gz RVUFXGWEAYIKLK-RTBURBONSA-N 1 2 458.632 2.635 20 0 JFADLO CC[N@H+]1C[C@@H](C)N(c2nnc(Cn3ccc4ccccc43)n2CCS(=O)(=O)CC)C[C@H]1C ZINC001296010723 1064069639 /nfs/dbraw/zinc/06/96/39/1064069639.db2.gz RVUFXGWEAYIKLK-RTBURBONSA-N 1 2 458.632 2.635 20 0 JFADLO CC[N@@H+]1C[C@@H](C)N(c2nnc(CCOc3ccccc3)n2CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001296012959 1064073586 /nfs/dbraw/zinc/07/35/86/1064073586.db2.gz ZXMRKMGRXCJOCQ-WOJBJXKFSA-N 1 2 475.659 2.643 20 0 JFADLO CC[N@H+]1C[C@@H](C)N(c2nnc(CCOc3ccccc3)n2CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001296012959 1064073594 /nfs/dbraw/zinc/07/35/94/1064073594.db2.gz ZXMRKMGRXCJOCQ-WOJBJXKFSA-N 1 2 475.659 2.643 20 0 JFADLO CC[C@H](C)c1nnc(N2CCCN(c3ccccc3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291562847 1064093410 /nfs/dbraw/zinc/09/34/10/1064093410.db2.gz JTZNMJDQDKXDRY-NRFANRHFSA-N 1 2 453.635 2.672 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001291577493 1064101309 /nfs/dbraw/zinc/10/13/09/1064101309.db2.gz IFSYLHHCXFPHHN-IBGZPJMESA-N 1 2 469.634 2.766 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001291593699 1064129500 /nfs/dbraw/zinc/12/95/00/1064129500.db2.gz RUOSYJNMSALRSH-OTWHNJEPSA-N 1 2 455.607 2.517 20 0 JFADLO CC[C@@H](C)[C@H](Cn1c([C@@H](C)CC)nnc1N1CCN(c2[nH+]cnc3c2cnn3C)CC1)OC ZINC001291602954 1064138842 /nfs/dbraw/zinc/13/88/42/1064138842.db2.gz PSDZRXPOVYBDSH-AOIWGVFYSA-N 1 2 455.611 2.856 20 0 JFADLO CC[C@H](C)c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1Cc1ccc(S(C)(=O)=O)cc1 ZINC001291629779 1064174379 /nfs/dbraw/zinc/17/43/79/1064174379.db2.gz PHSIRVMQGUCEHN-KRWDZBQOSA-N 1 2 472.615 2.862 20 0 JFADLO CCN1CCCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H](C)[NH+]2CCOCC2)CC1=O ZINC001296101843 1064176602 /nfs/dbraw/zinc/17/66/02/1064176602.db2.gz WHUMTYWQCFADAY-RTBURBONSA-N 1 2 491.036 2.851 20 0 JFADLO CC[C@H](C)c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1Cc1ccc(NC(C)=O)nc1 ZINC001291631315 1064178253 /nfs/dbraw/zinc/17/82/53/1064178253.db2.gz XBAOMQLKKMMADA-INIZCTEOSA-N 1 2 452.563 2.812 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001291632156 1064180682 /nfs/dbraw/zinc/18/06/82/1064180682.db2.gz SDYAJCFYDLMTRO-SJORKVTESA-N 1 2 481.571 2.977 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001291632156 1064180686 /nfs/dbraw/zinc/18/06/86/1064180686.db2.gz SDYAJCFYDLMTRO-SJORKVTESA-N 1 2 481.571 2.977 20 0 JFADLO CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@@H](OC)C(C)C ZINC001291639051 1064186890 /nfs/dbraw/zinc/18/68/90/1064186890.db2.gz LFXHMJMKPFFHBJ-BHDDXSALSA-N 1 2 450.672 2.694 20 0 JFADLO CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@@H]1CCO[C@H](C)C1 ZINC001291640272 1064189450 /nfs/dbraw/zinc/18/94/50/1064189450.db2.gz QVFANMJFNDOIGH-WBADGQHESA-N 1 2 462.683 2.838 20 0 JFADLO CC[C@H](C)c1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1CC1(CS(C)(=O)=O)CC1 ZINC001291643760 1064195646 /nfs/dbraw/zinc/19/56/46/1064195646.db2.gz QZVWPUMVBKUEFL-FQEVSTJZSA-N 1 2 459.660 2.981 20 0 JFADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CC(C)(OC)C2)CC1 ZINC001296132602 1064230762 /nfs/dbraw/zinc/23/07/62/1064230762.db2.gz BWSQXTGYERDSDG-OAQYLSRUSA-N 1 2 456.635 2.725 20 0 JFADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCOC[C@H]2C)CC1 ZINC001296133581 1064234019 /nfs/dbraw/zinc/23/40/19/1064234019.db2.gz JBPJPTNZABPUDU-RBUKOAKNSA-N 1 2 463.026 2.762 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001296154401 1064264910 /nfs/dbraw/zinc/26/49/10/1064264910.db2.gz NEWQDZQQDBLSMC-IAGOWNOFSA-N 1 2 452.024 2.954 20 0 JFADLO CC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001296154401 1064264922 /nfs/dbraw/zinc/26/49/22/1064264922.db2.gz NEWQDZQQDBLSMC-IAGOWNOFSA-N 1 2 452.024 2.954 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CCS(=O)(=O)c2ccccc2)C[C@@H]1C ZINC001296155630 1064266901 /nfs/dbraw/zinc/26/69/01/1064266901.db2.gz QSXPUJPEOPNNLY-IBGZPJMESA-N 1 2 454.600 2.653 20 0 JFADLO CC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CCS(=O)(=O)c2ccccc2)C[C@@H]1C ZINC001296155630 1064266909 /nfs/dbraw/zinc/26/69/09/1064266909.db2.gz QSXPUJPEOPNNLY-IBGZPJMESA-N 1 2 454.600 2.653 20 0 JFADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Cc2cccs2)C[C@@H]1C ZINC001296158846 1064272242 /nfs/dbraw/zinc/27/22/42/1064272242.db2.gz JJBHOIPFWFCMEU-OKZBNKHCSA-N 1 2 451.662 2.651 20 0 JFADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Cc2cccs2)C[C@@H]1C ZINC001296158846 1064272250 /nfs/dbraw/zinc/27/22/50/1064272250.db2.gz JJBHOIPFWFCMEU-OKZBNKHCSA-N 1 2 451.662 2.651 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CCS(=O)(=O)CC2CC2)C[C@@H]1C ZINC001296166185 1064287035 /nfs/dbraw/zinc/28/70/35/1064287035.db2.gz MDYCYRGGLMWBKV-IBGZPJMESA-N 1 2 461.632 2.521 20 0 JFADLO CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CCS(=O)(=O)CC2CC2)C[C@@H]1C ZINC001296166185 1064287048 /nfs/dbraw/zinc/28/70/48/1064287048.db2.gz MDYCYRGGLMWBKV-IBGZPJMESA-N 1 2 461.632 2.521 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCS(=O)(=O)CC2CC2)C[C@@H]1C ZINC001296173165 1064295328 /nfs/dbraw/zinc/29/53/28/1064295328.db2.gz GFTXWEHIQUQXLM-FQEVSTJZSA-N 1 2 475.659 2.829 20 0 JFADLO CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCS(=O)(=O)CC2CC2)C[C@@H]1C ZINC001296173165 1064295338 /nfs/dbraw/zinc/29/53/38/1064295338.db2.gz GFTXWEHIQUQXLM-FQEVSTJZSA-N 1 2 475.659 2.829 20 0 JFADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NCc4ccc(Cl)cc4)n3CC(F)(F)F)C2)CC1 ZINC001296174774 1064302857 /nfs/dbraw/zinc/30/28/57/1064302857.db2.gz TZAROVHQYGJBAL-GOSISDBHSA-N 1 2 499.969 2.640 20 0 JFADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)Nc4ccccn4)n3CCCC(C)(C)C)C2)CC1 ZINC001296175472 1064304851 /nfs/dbraw/zinc/30/48/51/1064304851.db2.gz YQTOPUJQNLKWSH-FQEVSTJZSA-N 1 2 468.650 2.968 20 0 JFADLO CC[C@@H](C)NC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001291796561 1064304708 /nfs/dbraw/zinc/30/47/08/1064304708.db2.gz TXDBTAJCAFWCHG-GOSISDBHSA-N 1 2 490.052 2.697 20 0 JFADLO CC[C@H](C)NC(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001291821353 1064359106 /nfs/dbraw/zinc/35/91/06/1064359106.db2.gz BXEBCVGOXKMRNI-SFHVURJKSA-N 1 2 453.616 2.957 20 0 JFADLO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccc3F)n2Cc2c[nH+]ccc2OC)CC1 ZINC001291833470 1064402048 /nfs/dbraw/zinc/40/20/48/1064402048.db2.gz MBQOWCRBVJXQBX-SFHVURJKSA-N 1 2 481.576 2.573 20 0 JFADLO CC[C@H](c1nnc(N(C)[C@H]2CCSC2)n1CC[NH+]1CCN(C(C)=O)CC1)c1ccccc1 ZINC001291845861 1064453482 /nfs/dbraw/zinc/45/34/82/1064453482.db2.gz TVTQINGTKWVLHN-VXKWHMMOSA-N 1 2 456.660 2.926 20 0 JFADLO CCNC(=O)C(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC001296234736 1064479275 /nfs/dbraw/zinc/47/92/75/1064479275.db2.gz NWULZRRUQHFSIB-UHFFFAOYSA-N 1 2 483.592 2.905 20 0 JFADLO CC[C@@H](c1nnc(N2CC[N@H+](CCOC)[C@H](CC)C2)n1C[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC001291895743 1064527115 /nfs/dbraw/zinc/52/71/15/1064527115.db2.gz YGXHTSPQNWLKJY-MDNUFGMLSA-N 1 2 489.686 2.802 20 0 JFADLO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@H](CC)C2)n1C[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC001291895743 1064527127 /nfs/dbraw/zinc/52/71/27/1064527127.db2.gz YGXHTSPQNWLKJY-MDNUFGMLSA-N 1 2 489.686 2.802 20 0 JFADLO CC[C@@H](c1nnc(N2CC[N@H+](CCOC)[C@H](CC)C2)n1C[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC001291895744 1064527280 /nfs/dbraw/zinc/52/72/80/1064527280.db2.gz YGXHTSPQNWLKJY-YMPZKCBVSA-N 1 2 489.686 2.802 20 0 JFADLO CC[C@@H](c1nnc(N2CC[N@@H+](CCOC)[C@H](CC)C2)n1C[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC001291895744 1064527291 /nfs/dbraw/zinc/52/72/91/1064527291.db2.gz YGXHTSPQNWLKJY-YMPZKCBVSA-N 1 2 489.686 2.802 20 0 JFADLO CCC(CC)(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc[nH+]2)CC1)SC ZINC001291910720 1064537782 /nfs/dbraw/zinc/53/77/82/1064537782.db2.gz HYKXXRDSYWONQE-QGZVFWFLSA-N 1 2 481.692 2.532 20 0 JFADLO CCNC(=O)N1CCN(c2nnc(CCc3ccccc3)n2CCCNc2cccc[nH+]2)CC1 ZINC001296319871 1064603458 /nfs/dbraw/zinc/60/34/58/1064603458.db2.gz NOHFWQFTPZSQCM-UHFFFAOYSA-N 1 2 462.602 2.812 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H]1CSc2ccccc21 ZINC001292008756 1064631296 /nfs/dbraw/zinc/63/12/96/1064631296.db2.gz ZTUNSTHJEITAOW-SFHVURJKSA-N 1 2 472.659 2.854 20 0 JFADLO CN1CCN(S(=O)(=O)c2cccc(NC(=O)C[C@H](c3[nH]cc[nH+]3)c3ccccc3)c2)CC1 ZINC001292019168 1064657020 /nfs/dbraw/zinc/65/70/20/1064657020.db2.gz BRUWCHGICZWGRD-NRFANRHFSA-N 1 2 453.568 2.507 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C3CC3)O[C@@H](C)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001292023376 1064670355 /nfs/dbraw/zinc/67/03/55/1064670355.db2.gz PPDNUBHVRJHUOV-BWAGFHJFSA-N 1 2 476.666 2.557 20 0 JFADLO CC(C)(C)OC(=O)NCCCCn1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)nn1 ZINC001292038029 1064703939 /nfs/dbraw/zinc/70/39/39/1064703939.db2.gz QNHKRQLGBONVQC-UHFFFAOYSA-N 1 2 457.510 2.838 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@H]2C)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001292043126 1064708860 /nfs/dbraw/zinc/70/88/60/1064708860.db2.gz DAKDXESGRSSSHV-QZTJIDSGSA-N 1 2 455.607 2.711 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001292086133 1064768612 /nfs/dbraw/zinc/76/86/12/1064768612.db2.gz QKIOKKAMWCLBBK-MRXNPFEDSA-N 1 2 456.582 2.789 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](NC(C)=O)C2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001292088106 1064771205 /nfs/dbraw/zinc/77/12/05/1064771205.db2.gz CAMPZQMGKGZJRQ-JOCHJYFZSA-N 1 2 496.660 2.735 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1Cc1c[nH+]ccc1OC ZINC001292105537 1064799206 /nfs/dbraw/zinc/79/92/06/1064799206.db2.gz NLBRDMXSWXXFHL-UHFFFAOYSA-N 1 2 483.539 2.723 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1Cc1c[nH+]ccc1OC ZINC001292111051 1064818667 /nfs/dbraw/zinc/81/86/67/1064818667.db2.gz RRUIAOSANPYAJL-UHFFFAOYSA-N 1 2 491.596 2.611 20 0 JFADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)c1cc(Br)c2nccn2c1 ZINC001292143015 1064910697 /nfs/dbraw/zinc/91/06/97/1064910697.db2.gz YWYBBUMKABMBSG-UHFFFAOYSA-N 1 2 459.344 2.738 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](C)[C@@H]2C)n1CC[N@@H+]1CCOCC1(C)C ZINC001292147107 1064925681 /nfs/dbraw/zinc/92/56/81/1064925681.db2.gz KBKQQXUXADYZGI-IRXDYDNUSA-N 1 2 452.669 2.638 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](C)[C@@H]2C)n1CC[N@H+]1CCOCC1(C)C ZINC001292147107 1064925694 /nfs/dbraw/zinc/92/56/94/1064925694.db2.gz KBKQQXUXADYZGI-IRXDYDNUSA-N 1 2 452.669 2.638 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCOC[C@H](C3CCC3)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001292147174 1064925744 /nfs/dbraw/zinc/92/57/44/1064925744.db2.gz VCUPISSFEPCYER-HXUWFJFHSA-N 1 2 469.634 2.959 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCSCC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001292151541 1064930246 /nfs/dbraw/zinc/93/02/46/1064930246.db2.gz PTFBNNWJEOQATL-OAQYLSRUSA-N 1 2 472.659 2.651 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCSCC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001292151541 1064930263 /nfs/dbraw/zinc/93/02/63/1064930263.db2.gz PTFBNNWJEOQATL-OAQYLSRUSA-N 1 2 472.659 2.651 20 0 JFADLO CC[NH+](CC)Cc1nc(C2(NC(=O)Cc3c(C)nc4c(c(=O)[nH]n4C)c3C)CCCC2)no1 ZINC001292166381 1064954305 /nfs/dbraw/zinc/95/43/05/1064954305.db2.gz LVBNDXOSFVVOHF-UHFFFAOYSA-N 1 2 455.563 2.644 20 0 JFADLO CC[C@@H](Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)OC ZINC001292192814 1064984793 /nfs/dbraw/zinc/98/47/93/1064984793.db2.gz NKPMMPXZSRWALL-SFHVURJKSA-N 1 2 467.574 2.812 20 0 JFADLO CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)OC ZINC001292208506 1064997827 /nfs/dbraw/zinc/99/78/27/1064997827.db2.gz PRAHSCQYYFILMQ-LJQANCHMSA-N 1 2 453.595 2.652 20 0 JFADLO CC[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)OC ZINC001292239111 1065023510 /nfs/dbraw/zinc/02/35/10/1065023510.db2.gz BFZMQEFXQFYDIY-FQEVSTJZSA-N 1 2 451.575 2.750 20 0 JFADLO CCC(O)(CC)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001292273582 1065051220 /nfs/dbraw/zinc/05/12/20/1065051220.db2.gz WMWXJTGEFHNJDW-UHFFFAOYSA-N 1 2 451.575 2.930 20 0 JFADLO CCC(O)(CC)Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001292275709 1065052377 /nfs/dbraw/zinc/05/23/77/1065052377.db2.gz UYTKTIFDKPHVCZ-OAQYLSRUSA-N 1 2 474.650 2.629 20 0 JFADLO CCC(O)(CC)Cn1c(COc2ccccc2F)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001292292802 1065064774 /nfs/dbraw/zinc/06/47/74/1065064774.db2.gz BWYRWVUETCJLCQ-UHFFFAOYSA-N 1 2 469.565 2.972 20 0 JFADLO CC[C@]1(C)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCC3)[nH+]c2)C1 ZINC001292319721 1065084025 /nfs/dbraw/zinc/08/40/25/1065084025.db2.gz SQGNITRMHFAMQW-VGOFRKELSA-N 1 2 461.636 2.558 20 0 JFADLO CC[C@@]1(C)CN(c2nnc(COc3ccccc3OC)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001292378604 1065122066 /nfs/dbraw/zinc/12/20/66/1065122066.db2.gz GIMWURLYVUPBGY-CYFREDJKSA-N 1 2 459.591 2.592 20 0 JFADLO CCC1(CC)CN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCOC(C)(C)C2)CCS1 ZINC001292394797 1065134597 /nfs/dbraw/zinc/13/45/97/1065134597.db2.gz WNDOHPKHJPHUTF-UHFFFAOYSA-N 1 2 464.680 2.737 20 0 JFADLO CCC1(CC)CN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCOC(C)(C)C2)CCS1 ZINC001292394797 1065134602 /nfs/dbraw/zinc/13/46/02/1065134602.db2.gz WNDOHPKHJPHUTF-UHFFFAOYSA-N 1 2 464.680 2.737 20 0 JFADLO CCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCc3c(cc[nH+]c3N(C)C)C2)CCOCC1 ZINC001292407395 1065141432 /nfs/dbraw/zinc/14/14/32/1065141432.db2.gz DODBWXMMZUNAHC-UHFFFAOYSA-N 1 2 455.607 2.647 20 0 JFADLO CCc1ccc(-c2nnc(N3CCN(CC(=O)N(C)C)CC3)n2CCCNc2cccc[nH+]2)cc1 ZINC001292518346 1065242212 /nfs/dbraw/zinc/24/22/12/1065242212.db2.gz QTTOFDKFIHPUCQ-UHFFFAOYSA-N 1 2 476.629 2.615 20 0 JFADLO CCc1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](CC(C)C)CC2)cc1 ZINC001292547376 1065268010 /nfs/dbraw/zinc/26/80/10/1065268010.db2.gz QHWWGBWMJFJMFE-QFIPXVFZSA-N 1 2 459.660 2.763 20 0 JFADLO CCc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)(C)C)CC2)s1 ZINC001292556112 1065273274 /nfs/dbraw/zinc/27/32/74/1065273274.db2.gz PGDYUFPTGUOMGZ-INIZCTEOSA-N 1 2 451.662 2.773 20 0 JFADLO CCc1cnc(CN(C)c2nnc(CC3CCCC3)n2CC[NH+]2CCN(C(C)=O)CC2)s1 ZINC001292646028 1065380903 /nfs/dbraw/zinc/38/09/03/1065380903.db2.gz XFCQKFSCLBKPNJ-UHFFFAOYSA-N 1 2 459.664 2.830 20 0 JFADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)c3c[nH]c4cccc(F)c34)cc2)CC1 ZINC001292706956 1065462665 /nfs/dbraw/zinc/46/26/65/1065462665.db2.gz NYUFZWDEDUYEIK-UHFFFAOYSA-N 1 2 452.530 2.822 20 0 JFADLO CC[C@H](C)n1nc(C(=O)NCCc2ccc(OCC[NH+]3CCN(C(C)=O)CC3)cc2)cc1C ZINC001292707620 1065462701 /nfs/dbraw/zinc/46/27/01/1065462701.db2.gz YJBZWBZLEFESIL-IBGZPJMESA-N 1 2 455.603 2.678 20 0 JFADLO CCc1nc(CN(C)c2nnc(Cc3ccccc3C)n2CC[NH+]2CCN(C(C)=O)CC2)cs1 ZINC001292732599 1065494235 /nfs/dbraw/zinc/49/42/35/1065494235.db2.gz BGNMBZQUZXNFMR-UHFFFAOYSA-N 1 2 481.670 2.997 20 0 JFADLO CCc1nc(CN2CCN(c3nnc(C(C)(C)C)n3CC[N@@H+]3CCOC[C@H]3C)CC2)cs1 ZINC001292753293 1065509059 /nfs/dbraw/zinc/50/90/59/1065509059.db2.gz KJULTVCLFOXNPV-GOSISDBHSA-N 1 2 461.680 2.637 20 0 JFADLO CCc1nc(CN2CCN(c3nnc(C(C)(C)C)n3CC[N@H+]3CCOC[C@H]3C)CC2)cs1 ZINC001292753293 1065509079 /nfs/dbraw/zinc/50/90/79/1065509079.db2.gz KJULTVCLFOXNPV-GOSISDBHSA-N 1 2 461.680 2.637 20 0 JFADLO Cc1ccc2[nH+]c(CSCC(=O)N3CCN(CC(=O)NC4CCC(C)CC4)CC3)cn2c1 ZINC001292865564 1065579758 /nfs/dbraw/zinc/57/97/58/1065579758.db2.gz UYNLTHTVJBFTRE-UHFFFAOYSA-N 1 2 457.644 2.715 20 0 JFADLO CCc1nnc(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001292891966 1065588578 /nfs/dbraw/zinc/58/85/78/1065588578.db2.gz BZAVORXYXSUHHH-PZJWPPBQSA-N 1 2 469.634 2.642 20 0 JFADLO CCc1nnc(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001292892580 1065590159 /nfs/dbraw/zinc/59/01/59/1065590159.db2.gz HYBVWSHREPLJQE-SIKLNZKXSA-N 1 2 465.602 2.501 20 0 JFADLO CCc1nnc(N2CCC(N(CC)C(=O)OC(C)(C)C)CC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001292971114 1065651723 /nfs/dbraw/zinc/65/17/23/1065651723.db2.gz QECHCKZRYBEJRM-UHFFFAOYSA-N 1 2 462.639 2.931 20 0 JFADLO CCc1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001292971124 1065652520 /nfs/dbraw/zinc/65/25/20/1065652520.db2.gz QLQNQEUNAJWXGY-IBGZPJMESA-N 1 2 484.617 2.672 20 0 JFADLO O=C(C[N@H+]1CCCN(C(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)CC1)N1CCCC1 ZINC001292988182 1065675619 /nfs/dbraw/zinc/67/56/19/1065675619.db2.gz ZTAACDXEYLODGG-UHFFFAOYSA-N 1 2 451.449 2.526 20 0 JFADLO O=C(C[N@@H+]1CCCN(C(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)CC1)N1CCCC1 ZINC001292988182 1065675622 /nfs/dbraw/zinc/67/56/22/1065675622.db2.gz ZTAACDXEYLODGG-UHFFFAOYSA-N 1 2 451.449 2.526 20 0 JFADLO CCc1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001293005125 1065689183 /nfs/dbraw/zinc/68/91/83/1065689183.db2.gz ZDQBIXNBQZXDRR-UHFFFAOYSA-N 1 2 461.496 2.785 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 ZINC001293092748 1065740690 /nfs/dbraw/zinc/74/06/90/1065740690.db2.gz FEPLJKZYMAUIOC-WMLDXEAASA-N 1 2 456.381 2.852 20 0 JFADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1 ZINC001293092748 1065740698 /nfs/dbraw/zinc/74/06/98/1065740698.db2.gz FEPLJKZYMAUIOC-WMLDXEAASA-N 1 2 456.381 2.852 20 0 JFADLO CCc1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001293096315 1065746274 /nfs/dbraw/zinc/74/62/74/1065746274.db2.gz WWHXQHWGQPZBAW-DLBZAZTESA-N 1 2 467.540 2.582 20 0 JFADLO CCc1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CCc1c(OC)cc(OC)cc1OC ZINC001293111355 1065757430 /nfs/dbraw/zinc/75/74/30/1065757430.db2.gz QRUONIYEKMGPAF-UHFFFAOYSA-N 1 2 467.574 2.534 20 0 JFADLO CCc1nnc(N2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001293126862 1065778208 /nfs/dbraw/zinc/77/82/08/1065778208.db2.gz DIQOYWOSRNKRNK-UHFFFAOYSA-N 1 2 472.609 2.959 20 0 JFADLO CCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@@H](C)Oc1ccccc1OC ZINC001293132385 1065784969 /nfs/dbraw/zinc/78/49/69/1065784969.db2.gz VZMOOWKFZGNSJT-FGZHOGPDSA-N 1 2 486.661 2.548 20 0 JFADLO CCc1nnc(N2CC[NH+](CCOc3cccc(OC)c3)CC2)n1CC[S@@](=O)C(C)(C)C ZINC001293136307 1065786839 /nfs/dbraw/zinc/78/68/39/1065786839.db2.gz JLHSYTRESJPCRS-JGCGQSQUSA-N 1 2 463.648 2.597 20 0 JFADLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)[C@H]2CC(c3cn(C)nc3C)=NO2)cc1 ZINC001293136825 1065787667 /nfs/dbraw/zinc/78/76/67/1065787667.db2.gz JLZTYGKEDQUAJR-HSZRJFAPSA-N 1 2 450.543 2.936 20 0 JFADLO CCc1nnc(N2CCO[C@@H](c3ccccc3Br)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001293149675 1065793435 /nfs/dbraw/zinc/79/34/35/1065793435.db2.gz FYBHKECMEBDETL-QFBILLFUSA-N 1 2 464.408 2.902 20 0 JFADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)CNS(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC001293202910 1065831119 /nfs/dbraw/zinc/83/11/19/1065831119.db2.gz JQKQGPCSDGUKRA-MRXNPFEDSA-N 1 2 451.976 2.532 20 0 JFADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001293215263 1065850758 /nfs/dbraw/zinc/85/07/58/1065850758.db2.gz FXTGLLRITOXATH-SQGPQFPESA-N 1 2 477.009 2.507 20 0 JFADLO CC[C@H]1C(=O)NCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001293247011 1065911566 /nfs/dbraw/zinc/91/15/66/1065911566.db2.gz LJBKFDUXFCLYEL-LPHOPBHVSA-N 1 2 479.050 2.659 20 0 JFADLO CC[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC001293482087 1066020634 /nfs/dbraw/zinc/02/06/34/1066020634.db2.gz CHTSRMLLYMBMLZ-YFVAEKQCSA-N 1 2 461.632 2.728 20 0 JFADLO CC[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001293506422 1066030062 /nfs/dbraw/zinc/03/00/62/1066030062.db2.gz QTIZVOZOKOXJHL-SFTDATJTSA-N 1 2 489.665 2.751 20 0 JFADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](c2cccs2)[NH+](C)C)CCS1 ZINC001293596965 1066109095 /nfs/dbraw/zinc/10/90/95/1066109095.db2.gz WYDUUZDAKWWDQA-BBWFWOEESA-N 1 2 469.702 2.876 20 0 JFADLO CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CC2(S(C)(=O)=O)CCCC2)CC[N@@H+]1CCOC ZINC001293603398 1066120046 /nfs/dbraw/zinc/12/00/46/1066120046.db2.gz YLSDVZBFXHKZOR-LJQANCHMSA-N 1 2 469.696 2.771 20 0 JFADLO CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CC2(S(C)(=O)=O)CCCC2)CC[N@H+]1CCOC ZINC001293603398 1066120047 /nfs/dbraw/zinc/12/00/47/1066120047.db2.gz YLSDVZBFXHKZOR-LJQANCHMSA-N 1 2 469.696 2.771 20 0 JFADLO CC[C@@H]1CN(c2nnc(COc3ccc(OC)cc3)n2CC[N@@H+]2CCOC[C@H]2C)CCS1 ZINC001293643598 1066158925 /nfs/dbraw/zinc/15/89/25/1066158925.db2.gz FSIMHAQWZRCATO-WIYYLYMNSA-N 1 2 461.632 2.918 20 0 JFADLO CC[C@@H]1CN(c2nnc(COc3ccc(OC)cc3)n2CC[N@H+]2CCOC[C@H]2C)CCS1 ZINC001293643598 1066158929 /nfs/dbraw/zinc/15/89/29/1066158929.db2.gz FSIMHAQWZRCATO-WIYYLYMNSA-N 1 2 461.632 2.918 20 0 JFADLO O=C(CCNC(=O)c1ccc(F)cc1)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC001293709702 1066179682 /nfs/dbraw/zinc/17/96/82/1066179682.db2.gz MPUBCEUDIJDQSZ-UHFFFAOYSA-N 1 2 457.937 2.981 20 0 JFADLO O=C(CCNC(=O)c1ccc(F)cc1)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC001293709702 1066179684 /nfs/dbraw/zinc/17/96/84/1066179684.db2.gz MPUBCEUDIJDQSZ-UHFFFAOYSA-N 1 2 457.937 2.981 20 0 JFADLO O=C(CCCNC(=O)c1cccnc1)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC001293712308 1066179936 /nfs/dbraw/zinc/17/99/36/1066179936.db2.gz BOENXDNYWOOIDX-UHFFFAOYSA-N 1 2 454.962 2.627 20 0 JFADLO O=C(CCCNC(=O)c1cccnc1)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC001293712308 1066179938 /nfs/dbraw/zinc/17/99/38/1066179938.db2.gz BOENXDNYWOOIDX-UHFFFAOYSA-N 1 2 454.962 2.627 20 0 JFADLO CCCC(=O)N[C@H]1CCCN(c2nnc(C(C)C)n2Cc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC001293739399 1066202611 /nfs/dbraw/zinc/20/26/11/1066202611.db2.gz UYDHRYGMDNQLIM-FQEVSTJZSA-N 1 2 455.607 2.567 20 0 JFADLO CCCC(=O)NC1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001293770142 1066259907 /nfs/dbraw/zinc/25/99/07/1066259907.db2.gz JNOZISIFDOELKC-UHFFFAOYSA-N 1 2 450.591 2.678 20 0 JFADLO C[C@H](CNC(=O)CSc1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1)Cn1cc[nH+]c1 ZINC001293777072 1066270566 /nfs/dbraw/zinc/27/05/66/1066270566.db2.gz LRQAJDVIHREXNQ-KZNAEPCWSA-N 1 2 454.600 2.985 20 0 JFADLO CCC[C@@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001293798549 1066309845 /nfs/dbraw/zinc/30/98/45/1066309845.db2.gz SRWFPLAUHXRAPL-YIXXDRMTSA-N 1 2 497.688 2.915 20 0 JFADLO CCC[C@@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001293804572 1066313993 /nfs/dbraw/zinc/31/39/93/1066313993.db2.gz BQYCBFNQBHJBHQ-NTKDMRAZSA-N 1 2 458.607 2.531 20 0 JFADLO CCC[C@@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001293804573 1066314199 /nfs/dbraw/zinc/31/41/99/1066314199.db2.gz BQYCBFNQBHJBHQ-YADARESESA-N 1 2 458.607 2.531 20 0 JFADLO CCC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001293806612 1066316567 /nfs/dbraw/zinc/31/65/67/1066316567.db2.gz KHLMFKLEADKGTP-KOSHJBKYSA-N 1 2 490.052 2.678 20 0 JFADLO CCC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001293817568 1066324425 /nfs/dbraw/zinc/32/44/25/1066324425.db2.gz ISCIPWINULAEFB-BWKNWUBXSA-N 1 2 455.651 2.804 20 0 JFADLO CCC[C@H](C)C(=O)NCCn1c(-c2ccccn2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001293855708 1066362921 /nfs/dbraw/zinc/36/29/21/1066362921.db2.gz IRECIXAPNPHDCI-SFHVURJKSA-N 1 2 462.602 2.916 20 0 JFADLO CCC[C@@H](C)C(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001293871727 1066383879 /nfs/dbraw/zinc/38/38/79/1066383879.db2.gz SDKWZMHLBPGZMV-YLJYHZDGSA-N 1 2 455.607 2.706 20 0 JFADLO C/C(=C/C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)c1ccccc1OC(F)F ZINC001293891291 1066392650 /nfs/dbraw/zinc/39/26/50/1066392650.db2.gz MLHAXCNJRFKXGM-VKAVYKQESA-N 1 2 459.497 2.667 20 0 JFADLO C/C(=C/C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)c1ccccc1OC(F)F ZINC001293891291 1066392664 /nfs/dbraw/zinc/39/26/64/1066392664.db2.gz MLHAXCNJRFKXGM-VKAVYKQESA-N 1 2 459.497 2.667 20 0 JFADLO CCC[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001293916661 1066399552 /nfs/dbraw/zinc/39/95/52/1066399552.db2.gz LQWZDMPCLSIRHJ-UNMCSNQZSA-N 1 2 453.635 2.672 20 0 JFADLO CCC[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC001293916660 1066399659 /nfs/dbraw/zinc/39/96/59/1066399659.db2.gz LQWZDMPCLSIRHJ-RBBKRZOGSA-N 1 2 453.635 2.672 20 0 JFADLO CCC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1)OC ZINC001293960571 1066459599 /nfs/dbraw/zinc/45/95/99/1066459599.db2.gz DRLBBKIGYMFTQK-LJQANCHMSA-N 1 2 476.025 2.553 20 0 JFADLO CCC[C@H](Cn1c(CC2CCCC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)OC ZINC001293983526 1066488424 /nfs/dbraw/zinc/48/84/24/1066488424.db2.gz HYWDLMPDTRYXKD-IFMALSPDSA-N 1 2 460.667 2.959 20 0 JFADLO CCC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC001294069449 1066539697 /nfs/dbraw/zinc/53/96/97/1066539697.db2.gz PZXGGKVRWSLAPF-WIYYLYMNSA-N 1 2 496.077 2.970 20 0 JFADLO CCC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC001294069449 1066539702 /nfs/dbraw/zinc/53/97/02/1066539702.db2.gz PZXGGKVRWSLAPF-WIYYLYMNSA-N 1 2 496.077 2.970 20 0 JFADLO CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@H]2CCCCS2(=O)=O)CC[N@@H+]1CCOC ZINC001294072066 1066541262 /nfs/dbraw/zinc/54/12/62/1066541262.db2.gz CYKSCKZMNJWJAC-WOJBJXKFSA-N 1 2 493.649 2.989 20 0 JFADLO CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@H]2CCCCS2(=O)=O)CC[N@H+]1CCOC ZINC001294072066 1066541271 /nfs/dbraw/zinc/54/12/71/1066541271.db2.gz CYKSCKZMNJWJAC-WOJBJXKFSA-N 1 2 493.649 2.989 20 0 JFADLO COc1ccc(N2C(=O)CC[C@@H](C(=O)NCC[NH+]3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000033362367 563110522 /nfs/dbraw/zinc/11/05/22/563110522.db2.gz UOUXYBGEACAVNO-ATIYNZHBSA-N 1 2 497.592 2.645 20 0 JFADLO c1c(C[NH+]2CCN([C@@H]3CCOC3)CC2)sc2c1nc(N1CCC13CCCC3)nc2N1CCOCC1 ZINC001164399622 718845341 /nfs/dbraw/zinc/84/53/41/718845341.db2.gz BOAZFJUCFVDCBR-HXUWFJFHSA-N 1 2 498.697 2.957 20 0 JFADLO c1c(CN2CC[NH+]([C@@H]3CCOC3)CC2)sc2c1nc(N1CCC13CCCC3)nc2N1CCOCC1 ZINC001164399622 718845342 /nfs/dbraw/zinc/84/53/42/718845342.db2.gz BOAZFJUCFVDCBR-HXUWFJFHSA-N 1 2 498.697 2.957 20 0 JFADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCC4(CC3)COCC(=O)N4)c2c1C ZINC001164425963 718935433 /nfs/dbraw/zinc/93/54/33/718935433.db2.gz ZLEHGTNNAHGZQG-UHFFFAOYSA-N 1 2 487.626 2.648 20 0 JFADLO CCOC(=O)[C@@]12CCO[C@H]1CCN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001164432363 718977046 /nfs/dbraw/zinc/97/70/46/718977046.db2.gz GRSACSGZHZKJBA-WNCULLNHSA-N 1 2 478.593 2.588 20 0 JFADLO COCCN1CC[N@H+](C)C2(CCN(c3cnc(Cl)nc3Oc3cccc(OC)c3)CC2)C1=O ZINC001164644269 719285216 /nfs/dbraw/zinc/28/52/16/719285216.db2.gz GESBCNHUBLVHEH-UHFFFAOYSA-N 1 2 475.977 2.690 20 0 JFADLO COCCN1CC[N@@H+](C)C2(CCN(c3cnc(Cl)nc3Oc3cccc(OC)c3)CC2)C1=O ZINC001164644269 719285219 /nfs/dbraw/zinc/28/52/19/719285219.db2.gz GESBCNHUBLVHEH-UHFFFAOYSA-N 1 2 475.977 2.690 20 0 JFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc(Oc2cccc(F)c2)n1 ZINC001164703559 719860998 /nfs/dbraw/zinc/86/09/98/719860998.db2.gz QDUFDZYLQJBALE-YCRPNKLZSA-N 1 2 465.913 2.689 20 0 JFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2oc(-c3ccc(C)cc3)nc21 ZINC001164707812 719869966 /nfs/dbraw/zinc/86/99/66/719869966.db2.gz VPLHTBQPDXWFDJ-KOSHJBKYSA-N 1 2 451.527 2.826 20 0 JFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)COC(=O)Nc1ccc(Cl)nc1 ZINC001164704977 719879134 /nfs/dbraw/zinc/87/91/34/719879134.db2.gz YGOAOBDPGSFVTP-DNVCBOLYSA-N 1 2 476.908 2.605 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc3ccccc3c(-c3ccccc3)n1)CC2 ZINC001164708712 719907504 /nfs/dbraw/zinc/90/75/04/719907504.db2.gz ILYLLXVUMOSSMP-UHFFFAOYSA-N 1 2 467.577 2.981 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1ccc3c(Cl)ncnc3c1)CC2 ZINC001164702546 719938130 /nfs/dbraw/zinc/93/81/30/719938130.db2.gz GWOGBFAXWVXLFD-UHFFFAOYSA-N 1 2 475.931 2.512 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc3cc(C(C)(C)C)sc31)CC2 ZINC001164701713 720047077 /nfs/dbraw/zinc/04/70/77/720047077.db2.gz AUHFHQDNNOZZQJ-UHFFFAOYSA-N 1 2 453.616 2.673 20 0 JFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)C2)C1 ZINC001164718908 720226245 /nfs/dbraw/zinc/22/62/45/720226245.db2.gz OVFRZNKRWHXBTL-FQEVSTJZSA-N 1 2 471.911 2.632 20 0 JFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)C2)C1 ZINC001164718908 720226252 /nfs/dbraw/zinc/22/62/52/720226252.db2.gz OVFRZNKRWHXBTL-FQEVSTJZSA-N 1 2 471.911 2.632 20 0 JFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)C2)C1 ZINC001164718909 720227844 /nfs/dbraw/zinc/22/78/44/720227844.db2.gz OVFRZNKRWHXBTL-HXUWFJFHSA-N 1 2 471.911 2.632 20 0 JFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)C2)C1 ZINC001164718909 720227857 /nfs/dbraw/zinc/22/78/57/720227857.db2.gz OVFRZNKRWHXBTL-HXUWFJFHSA-N 1 2 471.911 2.632 20 0 JFADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1 ZINC001164723810 720318243 /nfs/dbraw/zinc/31/82/43/720318243.db2.gz PILFNXZSDTZVEO-HNNXBMFYSA-N 1 2 475.949 2.701 20 0 JFADLO COC(=O)c1cnc(Cl)cc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164824080 720357886 /nfs/dbraw/zinc/35/78/86/720357886.db2.gz IMJAOYDZSYIUOB-UHFFFAOYSA-N 1 2 463.991 2.600 20 0 JFADLO COC(=O)c1cnc(Cl)cc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164824080 720357893 /nfs/dbraw/zinc/35/78/93/720357893.db2.gz IMJAOYDZSYIUOB-UHFFFAOYSA-N 1 2 463.991 2.600 20 0 JFADLO COc1cc2ncc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)nc2cc1OC ZINC001164824816 720367427 /nfs/dbraw/zinc/36/74/27/720367427.db2.gz MUOSBUHMMJCSRY-UHFFFAOYSA-N 1 2 482.610 2.725 20 0 JFADLO COc1cc2ncc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)nc2cc1OC ZINC001164824816 720367435 /nfs/dbraw/zinc/36/74/35/720367435.db2.gz MUOSBUHMMJCSRY-UHFFFAOYSA-N 1 2 482.610 2.725 20 0 JFADLO CSc1nc(Cl)ncc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164821168 720369061 /nfs/dbraw/zinc/36/90/61/720369061.db2.gz YUCLHTSTIJMSNG-UHFFFAOYSA-N 1 2 453.037 2.930 20 0 JFADLO CSc1nc(Cl)ncc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164821168 720369068 /nfs/dbraw/zinc/36/90/68/720369068.db2.gz YUCLHTSTIJMSNG-UHFFFAOYSA-N 1 2 453.037 2.930 20 0 JFADLO CCOc1c(Cl)ncnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164821124 720372530 /nfs/dbraw/zinc/37/25/30/720372530.db2.gz WTABMZDQHNYGRD-UHFFFAOYSA-N 1 2 450.996 2.607 20 0 JFADLO CCOc1c(Cl)ncnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164821124 720372537 /nfs/dbraw/zinc/37/25/37/720372537.db2.gz WTABMZDQHNYGRD-UHFFFAOYSA-N 1 2 450.996 2.607 20 0 JFADLO COc1nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc2ccccc21 ZINC001164819455 720372827 /nfs/dbraw/zinc/37/28/27/720372827.db2.gz FDKYJQAVBVGBRQ-UHFFFAOYSA-N 1 2 452.584 2.717 20 0 JFADLO COc1nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc2ccccc21 ZINC001164819455 720372831 /nfs/dbraw/zinc/37/28/31/720372831.db2.gz FDKYJQAVBVGBRQ-UHFFFAOYSA-N 1 2 452.584 2.717 20 0 JFADLO Cc1noc(-c2cccnc2N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164820952 720378925 /nfs/dbraw/zinc/37/89/25/720378925.db2.gz UYOJXEYLTSOORP-UHFFFAOYSA-N 1 2 453.572 2.518 20 0 JFADLO Cc1noc(-c2cccnc2N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164820952 720378933 /nfs/dbraw/zinc/37/89/33/720378933.db2.gz UYOJXEYLTSOORP-UHFFFAOYSA-N 1 2 453.572 2.518 20 0 JFADLO Cc1cc(NC(=O)c2cccnc2N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)no1 ZINC001164820574 720379582 /nfs/dbraw/zinc/37/95/82/720379582.db2.gz PVOXBKQQRDASOB-UHFFFAOYSA-N 1 2 495.609 2.708 20 0 JFADLO Cc1cc(NC(=O)c2cccnc2N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)no1 ZINC001164820574 720379587 /nfs/dbraw/zinc/37/95/87/720379587.db2.gz PVOXBKQQRDASOB-UHFFFAOYSA-N 1 2 495.609 2.708 20 0 JFADLO Cc1noc(-c2ccnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)c2)n1 ZINC001164819307 720381725 /nfs/dbraw/zinc/38/17/25/720381725.db2.gz BPOCYDHSAKUTQL-UHFFFAOYSA-N 1 2 453.572 2.518 20 0 JFADLO Cc1noc(-c2ccnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)c2)n1 ZINC001164819307 720381732 /nfs/dbraw/zinc/38/17/32/720381732.db2.gz BPOCYDHSAKUTQL-UHFFFAOYSA-N 1 2 453.572 2.518 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C5CC5)nc5[nH]ccc54)CC3)C2=O)cs1 ZINC001164826937 720385004 /nfs/dbraw/zinc/38/50/04/720385004.db2.gz YUXVZRKBUUYAMA-UHFFFAOYSA-N 1 2 451.600 2.913 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C5CC5)nc5[nH]ccc54)CC3)C2=O)cs1 ZINC001164826937 720385009 /nfs/dbraw/zinc/38/50/09/720385009.db2.gz YUXVZRKBUUYAMA-UHFFFAOYSA-N 1 2 451.600 2.913 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3ccc(F)cc31)C2 ZINC001164827018 720435344 /nfs/dbraw/zinc/43/53/44/720435344.db2.gz YKLFSRILPFGUGP-OAHLLOKOSA-N 1 2 460.941 2.608 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(-c3ccnc(Cl)c3)ccn1)C2 ZINC001164824133 720440998 /nfs/dbraw/zinc/44/09/98/720440998.db2.gz MNSGRNAEMWSEMI-HXUWFJFHSA-N 1 2 468.989 2.983 20 0 JFADLO CCOC(=O)c1cnc(Cl)c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1Cl ZINC001164826470 720441155 /nfs/dbraw/zinc/44/11/55/720441155.db2.gz XJGHJFRGLDKRQZ-OAHLLOKOSA-N 1 2 498.411 2.751 20 0 JFADLO CCOC(=O)c1cnc(Cl)c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1Cl ZINC001164826469 720441220 /nfs/dbraw/zinc/44/12/20/720441220.db2.gz XJGHJFRGLDKRQZ-HNNXBMFYSA-N 1 2 498.411 2.751 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3c(F)cccc31)C2 ZINC001164824037 720448202 /nfs/dbraw/zinc/44/82/02/720448202.db2.gz LHPPVFRXIJXCCG-OAHLLOKOSA-N 1 2 460.941 2.608 20 0 JFADLO CCOc1cc2ncnc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c2cc1OCC ZINC001164821896 720452906 /nfs/dbraw/zinc/45/29/06/720452906.db2.gz AJZOYMBNLGYXNA-LJQANCHMSA-N 1 2 496.612 2.613 20 0 JFADLO Cc1ccc(C(F)(F)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1Cl ZINC001164829341 720455784 /nfs/dbraw/zinc/45/57/84/720455784.db2.gz FWHNLWHZGCYAQN-INIZCTEOSA-N 1 2 455.937 2.774 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cccc(OCc3ccccc3)n1)C2 ZINC001164831783 720464763 /nfs/dbraw/zinc/46/47/63/720464763.db2.gz QGUZQBXPPMOQIE-JOCHJYFZSA-N 1 2 463.582 2.847 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc(Oc3cccc(F)c3)n1)C2 ZINC001164831298 720466990 /nfs/dbraw/zinc/46/69/90/720466990.db2.gz OJMKTECBPHSDTD-SFHVURJKSA-N 1 2 468.533 2.594 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(F)cc3ncnc(Cl)c31)C2 ZINC001164832311 720467193 /nfs/dbraw/zinc/46/71/93/720467193.db2.gz TXHNFDGENBESAP-HNNXBMFYSA-N 1 2 460.941 2.608 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(-c3cccc(Cl)c3)nn1)C2 ZINC001164831314 720471162 /nfs/dbraw/zinc/47/11/62/720471162.db2.gz ORNVYPSVQXRFOG-LJQANCHMSA-N 1 2 468.989 2.983 20 0 JFADLO CCc1nc(Cl)c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c(Cl)n1 ZINC001164831789 720473942 /nfs/dbraw/zinc/47/39/42/720473942.db2.gz QJJYUGOSPIGXTO-AWEZNQCLSA-N 1 2 455.390 2.532 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(-c3ccccn3)nc3sccc31)C2 ZINC001164832816 720477826 /nfs/dbraw/zinc/47/78/26/720477826.db2.gz LFGDWACQPCHBCN-SFHVURJKSA-N 1 2 491.621 2.939 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1c(F)ccc3c(Cl)ncnc31)C2 ZINC001164835487 720484094 /nfs/dbraw/zinc/48/40/94/720484094.db2.gz YNACIEQNFLDDRQ-OAHLLOKOSA-N 1 2 460.941 2.608 20 0 JFADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)Oc1ccc3c(Cl)ncnc3c1)C2 ZINC001164861926 720895916 /nfs/dbraw/zinc/89/59/16/720895916.db2.gz ZMAWKHNTTOGNJN-UHFFFAOYSA-N 1 2 473.871 2.920 20 0 JFADLO O=C(NCc1ccccn1)[C@@H]1CCO[C@H]2CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]12 ZINC001164757643 721018987 /nfs/dbraw/zinc/01/89/87/721018987.db2.gz FNRYNFVXNRBSRS-DXBVXKBHSA-N 1 2 498.631 2.978 20 0 JFADLO O=C(NCc1ccccn1)[C@@H]1CCO[C@H]2CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]12 ZINC001164757643 721018994 /nfs/dbraw/zinc/01/89/94/721018994.db2.gz FNRYNFVXNRBSRS-DXBVXKBHSA-N 1 2 498.631 2.978 20 0 JFADLO O=C(NCc1ccco1)[C@@H]1COC[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]21 ZINC001164759556 721252311 /nfs/dbraw/zinc/25/23/11/721252311.db2.gz AWFFXHSVASRIFB-BGWNEDDSSA-N 1 2 473.577 2.643 20 0 JFADLO O=C(NCc1ccco1)[C@@H]1COC[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]21 ZINC001164759556 721252317 /nfs/dbraw/zinc/25/23/17/721252317.db2.gz AWFFXHSVASRIFB-BGWNEDDSSA-N 1 2 473.577 2.643 20 0 JFADLO CCN1CC[C@]2(CN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)C[C@@H]2C)C1=O ZINC001164777895 721319692 /nfs/dbraw/zinc/31/96/92/721319692.db2.gz MLHTZXSVNHDPDN-KDYSTLNUSA-N 1 2 461.610 2.734 20 0 JFADLO O=C1CO[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]2N1c1cccc(F)c1 ZINC001164885104 721363132 /nfs/dbraw/zinc/36/31/32/721363132.db2.gz WUNTZLHDUXBMIU-DNQXCXABSA-N 1 2 459.525 2.795 20 0 JFADLO O=C1CO[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]2N1c1cccc(F)c1 ZINC001164885104 721363139 /nfs/dbraw/zinc/36/31/39/721363139.db2.gz WUNTZLHDUXBMIU-DNQXCXABSA-N 1 2 459.525 2.795 20 0 JFADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCO[C@@]5(CCCN(c6cnccn6)C5)C4)c3C2)cc1 ZINC001164902615 721579387 /nfs/dbraw/zinc/57/93/87/721579387.db2.gz GYSWMESLEGPYHZ-AREMUKBSSA-N 1 2 457.582 2.701 20 0 JFADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCO[C@@]5(CCCN(c6cnccn6)C5)C4)c3C2)cc1 ZINC001164902615 721579392 /nfs/dbraw/zinc/57/93/92/721579392.db2.gz GYSWMESLEGPYHZ-AREMUKBSSA-N 1 2 457.582 2.701 20 0 JFADLO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)n1 ZINC001165009124 721710145 /nfs/dbraw/zinc/71/01/45/721710145.db2.gz PSISDQLPGKZCQW-UHFFFAOYSA-N 1 2 457.579 2.695 20 0 JFADLO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)n1 ZINC001165009124 721710150 /nfs/dbraw/zinc/71/01/50/721710150.db2.gz PSISDQLPGKZCQW-UHFFFAOYSA-N 1 2 457.579 2.695 20 0 JFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nccc(Oc3ccc(S(C)(=O)=O)cc3)n1)C2 ZINC001165008556 721711059 /nfs/dbraw/zinc/71/10/59/721711059.db2.gz HEBLGAXQDWNZSD-UHFFFAOYSA-N 1 2 471.587 2.514 20 0 JFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nccc(Oc3ccc(S(C)(=O)=O)cc3)n1)C2 ZINC001165008556 721711068 /nfs/dbraw/zinc/71/10/68/721711068.db2.gz HEBLGAXQDWNZSD-UHFFFAOYSA-N 1 2 471.587 2.514 20 0 JFADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1cccc3c(Cl)ncnc31)CC2 ZINC001165015370 721765872 /nfs/dbraw/zinc/76/58/72/721765872.db2.gz OXKZBCWDKNIGKN-UHFFFAOYSA-N 1 2 486.914 2.751 20 0 JFADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)CC2 ZINC001165014632 721766033 /nfs/dbraw/zinc/76/60/33/721766033.db2.gz HSBQTMIUCAYTTO-UHFFFAOYSA-N 1 2 474.903 2.684 20 0 JFADLO COC(=O)c1cc(C(F)(F)N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cnc1Cl ZINC001164910932 721776852 /nfs/dbraw/zinc/77/68/52/721776852.db2.gz CUYWARLNBNFGCX-NRFANRHFSA-N 1 2 482.915 2.569 20 0 JFADLO COC(=O)c1cc(C(F)(F)N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cnc1Cl ZINC001164910932 721776854 /nfs/dbraw/zinc/77/68/54/721776854.db2.gz CUYWARLNBNFGCX-NRFANRHFSA-N 1 2 482.915 2.569 20 0 JFADLO CCOC(=O)c1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc2ccccc21 ZINC001164916429 721781611 /nfs/dbraw/zinc/78/16/11/721781611.db2.gz QXRUWXJIQXWLBH-SANMLTNESA-N 1 2 462.550 2.914 20 0 JFADLO CCOC(=O)c1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc2ccccc21 ZINC001164916429 721781614 /nfs/dbraw/zinc/78/16/14/721781614.db2.gz QXRUWXJIQXWLBH-SANMLTNESA-N 1 2 462.550 2.914 20 0 JFADLO COc1ccc(C(F)(F)N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1Cl ZINC001164915134 721786851 /nfs/dbraw/zinc/78/68/51/721786851.db2.gz IJXVVNOARXFUCS-FQEVSTJZSA-N 1 2 454.905 2.791 20 0 JFADLO COc1ccc(C(F)(F)N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1Cl ZINC001164915134 721786854 /nfs/dbraw/zinc/78/68/54/721786854.db2.gz IJXVVNOARXFUCS-FQEVSTJZSA-N 1 2 454.905 2.791 20 0 JFADLO COc1cccc(Oc2cncc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)c1 ZINC001164917892 721790058 /nfs/dbraw/zinc/79/00/58/721790058.db2.gz ZLCPRJLSIPPDGL-VWLOTQADSA-N 1 2 463.538 2.780 20 0 JFADLO COc1cccc(Oc2cncc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)c1 ZINC001164917892 721790060 /nfs/dbraw/zinc/79/00/60/721790060.db2.gz ZLCPRJLSIPPDGL-VWLOTQADSA-N 1 2 463.538 2.780 20 0 JFADLO Fc1cccc(Oc2ccnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)c1 ZINC001164917703 721790965 /nfs/dbraw/zinc/79/09/65/721790965.db2.gz YVELNNVTNSFTGW-DEOSSOPVSA-N 1 2 451.502 2.911 20 0 JFADLO Fc1cccc(Oc2ccnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)c1 ZINC001164917703 721790969 /nfs/dbraw/zinc/79/09/69/721790969.db2.gz YVELNNVTNSFTGW-DEOSSOPVSA-N 1 2 451.502 2.911 20 0 JFADLO O=C(NC1CCCC1)c1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164913222 721795285 /nfs/dbraw/zinc/79/52/85/721795285.db2.gz BLLAXDRJQWVPRZ-RUZDIDTESA-N 1 2 486.016 2.910 20 0 JFADLO O=C(NC1CCCC1)c1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164913222 721795288 /nfs/dbraw/zinc/79/52/88/721795288.db2.gz BLLAXDRJQWVPRZ-RUZDIDTESA-N 1 2 486.016 2.910 20 0 JFADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2c(Cl)nnc(Cl)c2N2CCOCC2)CC1 ZINC001164919559 721822243 /nfs/dbraw/zinc/82/22/43/721822243.db2.gz SSQRCFSSHXWCOY-UHFFFAOYSA-N 1 2 452.390 2.566 20 0 JFADLO Cc1nc(CN2CCOC[C@@]3(CN(c4cc(N5CCC[C@@H](C)C5)[nH+]cn4)CCO3)C2)cs1 ZINC001164923010 721833270 /nfs/dbraw/zinc/83/32/70/721833270.db2.gz QIIYCXQPHMOIOI-JPYJTQIMSA-N 1 2 458.632 2.586 20 0 JFADLO Cc1nc(CN2CCOC[C@@]3(CN(c4cc(N5CCC[C@@H](C)C5)nc[nH+]4)CCO3)C2)cs1 ZINC001164923010 721833271 /nfs/dbraw/zinc/83/32/71/721833271.db2.gz QIIYCXQPHMOIOI-JPYJTQIMSA-N 1 2 458.632 2.586 20 0 JFADLO CN(c1nc2cc(C[NH+]3CCN([C@@H]4CCOC4)CC3)sc2c(N2CCOCC2)n1)C(C)(C)C ZINC001165022478 721833836 /nfs/dbraw/zinc/83/38/36/721833836.db2.gz OEDHCQWEWSDMNM-GOSISDBHSA-N 1 2 474.675 2.669 20 0 JFADLO CN(c1nc2cc(CN3CC[NH+]([C@@H]4CCOC4)CC3)sc2c(N2CCOCC2)n1)C(C)(C)C ZINC001165022478 721833837 /nfs/dbraw/zinc/83/38/37/721833837.db2.gz OEDHCQWEWSDMNM-GOSISDBHSA-N 1 2 474.675 2.669 20 0 JFADLO O=C(C[C@@H]1OC[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC[C@H]12)NC1CCC1 ZINC001164932737 721895452 /nfs/dbraw/zinc/89/54/52/721895452.db2.gz IBIZBYVURJGHJK-XTJBDQBJSA-N 1 2 461.610 2.935 20 0 JFADLO O=C(C[C@@H]1OC[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC[C@H]12)NC1CCC1 ZINC001164932737 721895453 /nfs/dbraw/zinc/89/54/53/721895453.db2.gz IBIZBYVURJGHJK-XTJBDQBJSA-N 1 2 461.610 2.935 20 0 JFADLO COC(=O)C[C@@H](c1cc[nH+]c(N2CCC3(CC2)COCCN3Cc2ccn(C)n2)c1)C1CC1 ZINC001164936227 721907698 /nfs/dbraw/zinc/90/76/98/721907698.db2.gz NNGKCHZVPDDMFJ-JOCHJYFZSA-N 1 2 453.587 2.743 20 0 JFADLO Cc1noc(C)c1CN1CCO[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]21 ZINC001164943124 721938112 /nfs/dbraw/zinc/93/81/12/721938112.db2.gz OCWJGERJJVBCRR-DQEYMECFSA-N 1 2 460.582 2.729 20 0 JFADLO Cc1noc(C)c1CN1CCO[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]21 ZINC001164943124 721938116 /nfs/dbraw/zinc/93/81/16/721938116.db2.gz OCWJGERJJVBCRR-DQEYMECFSA-N 1 2 460.582 2.729 20 0 JFADLO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]21 ZINC001164943126 721938228 /nfs/dbraw/zinc/93/82/28/721938228.db2.gz OCWJGERJJVBCRR-LOSJGSFVSA-N 1 2 460.582 2.729 20 0 JFADLO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]21 ZINC001164943126 721938229 /nfs/dbraw/zinc/93/82/29/721938229.db2.gz OCWJGERJJVBCRR-LOSJGSFVSA-N 1 2 460.582 2.729 20 0 JFADLO CC(C)(C)OC(=O)Nc1cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)ncn1 ZINC001164946771 721970409 /nfs/dbraw/zinc/97/04/09/721970409.db2.gz VYMPJUZNBFKKKW-UHFFFAOYSA-N 1 2 452.559 2.795 20 0 JFADLO CC(C)(C)OC(=O)Nc1cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)ncn1 ZINC001164946771 721970414 /nfs/dbraw/zinc/97/04/14/721970414.db2.gz VYMPJUZNBFKKKW-UHFFFAOYSA-N 1 2 452.559 2.795 20 0 JFADLO CCOC(=O)c1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)cc1OCC ZINC001164945854 721973863 /nfs/dbraw/zinc/97/38/63/721973863.db2.gz TZYSDAQELLHZKQ-UHFFFAOYSA-N 1 2 452.555 2.628 20 0 JFADLO CCOC(=O)c1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)cc1OCC ZINC001164945854 721973866 /nfs/dbraw/zinc/97/38/66/721973866.db2.gz TZYSDAQELLHZKQ-UHFFFAOYSA-N 1 2 452.555 2.628 20 0 JFADLO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1 ZINC001164945581 721978994 /nfs/dbraw/zinc/97/89/94/721978994.db2.gz ARSQUDWFQPXXOM-FQEVSTJZSA-N 1 2 485.654 2.520 20 0 JFADLO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1 ZINC001164945581 721978999 /nfs/dbraw/zinc/97/89/99/721978999.db2.gz ARSQUDWFQPXXOM-FQEVSTJZSA-N 1 2 485.654 2.520 20 0 JFADLO O=C(Nc1nncs1)c1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c(Cl)c1 ZINC001164946433 721979749 /nfs/dbraw/zinc/97/97/49/721979749.db2.gz FOWPDOFIZYWXGF-UHFFFAOYSA-N 1 2 498.012 2.810 20 0 JFADLO O=C(Nc1nncs1)c1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c(Cl)c1 ZINC001164946433 721979752 /nfs/dbraw/zinc/97/97/52/721979752.db2.gz FOWPDOFIZYWXGF-UHFFFAOYSA-N 1 2 498.012 2.810 20 0 JFADLO CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)[C@H]2C1 ZINC001164995528 722215353 /nfs/dbraw/zinc/21/53/53/722215353.db2.gz JPCZSOQZFFZDHH-ZKMPZPQNSA-N 1 2 491.636 2.548 20 0 JFADLO C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)cc2)C1 ZINC001264302285 1059564505 /nfs/dbraw/zinc/56/45/05/1059564505.db2.gz VGPUJBXMDRTFSC-WMZHIEFXSA-N 1 2 457.596 2.947 20 0 JFADLO C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)cc2)C1 ZINC001264302285 1059564524 /nfs/dbraw/zinc/56/45/24/1059564524.db2.gz VGPUJBXMDRTFSC-WMZHIEFXSA-N 1 2 457.596 2.947 20 0 JFADLO O=C(C[NH+]1CCC(NC(=O)c2ccc3c(Br)cnn3c2)CC1)Nc1ccccc1 ZINC001264342031 1059576294 /nfs/dbraw/zinc/57/62/94/1059576294.db2.gz KJSWAAMQJGOZLN-UHFFFAOYSA-N 1 2 456.344 2.930 20 0 JFADLO C[C@@H](CSCc1ccccc1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001265019352 1059753391 /nfs/dbraw/zinc/75/33/91/1059753391.db2.gz VDILUQCPJILJPG-FPOVZHCZSA-N 1 2 455.628 2.968 20 0 JFADLO C[C@@H](CSCc1ccccc1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001265019352 1059753407 /nfs/dbraw/zinc/75/34/07/1059753407.db2.gz VDILUQCPJILJPG-FPOVZHCZSA-N 1 2 455.628 2.968 20 0 JFADLO CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001265102527 1059766805 /nfs/dbraw/zinc/76/68/05/1059766805.db2.gz CTMOEVXFNMUTMA-RPBOFIJWSA-N 1 2 454.567 2.983 20 0 JFADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cccnc1S[C@@H](C)C(=O)N1CCCC1 ZINC001265975307 1059952779 /nfs/dbraw/zinc/95/27/79/1059952779.db2.gz VRVFICLLTQYGJN-KRWDZBQOSA-N 1 2 455.584 2.977 20 0 JFADLO CCOC(=O)c1c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc(OC)c(OC)c1OC ZINC001266030753 1059955486 /nfs/dbraw/zinc/95/54/86/1059955486.db2.gz CYJZICXVVCFHFT-IBGZPJMESA-N 1 2 458.511 2.729 20 0 JFADLO CCOC(=O)c1c(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc(OC)c(OC)c1OC ZINC001266030753 1059955505 /nfs/dbraw/zinc/95/55/05/1059955505.db2.gz CYJZICXVVCFHFT-IBGZPJMESA-N 1 2 458.511 2.729 20 0 JFADLO C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001266103951 1059963189 /nfs/dbraw/zinc/96/31/89/1059963189.db2.gz BOOUHNALXLMGFW-GHTZIAJQSA-N 1 2 458.990 2.981 20 0 JFADLO CC(C)(C)OC(=O)N(CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1CCCCCC1 ZINC001266206103 1059972054 /nfs/dbraw/zinc/97/20/54/1059972054.db2.gz PQPQURXCQFEVPC-RTWAWAEBSA-N 1 2 453.624 2.942 20 0 JFADLO CC(=O)N(C)C1CCN(c2nnc(C(C)C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001286837056 1061091464 /nfs/dbraw/zinc/09/14/64/1061091464.db2.gz DGWYXSBPWMFILW-HSZRJFAPSA-N 1 2 454.619 2.750 20 0 JFADLO CC(=O)N(C)C1CCN(c2nnc(C(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001286837056 1061091482 /nfs/dbraw/zinc/09/14/82/1061091482.db2.gz DGWYXSBPWMFILW-HSZRJFAPSA-N 1 2 454.619 2.750 20 0 JFADLO C/C(=C/c1ccccc1)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001286837405 1061092433 /nfs/dbraw/zinc/09/24/33/1061092433.db2.gz DUZVBRXFFIXCKV-DBJZRZIFSA-N 1 2 455.628 2.982 20 0 JFADLO C/C(=C/c1ccccc1)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CC=CCC1 ZINC001286837405 1061092449 /nfs/dbraw/zinc/09/24/49/1061092449.db2.gz DUZVBRXFFIXCKV-DBJZRZIFSA-N 1 2 455.628 2.982 20 0 JFADLO Cc1ccc(CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)s1 ZINC001289631320 1061265789 /nfs/dbraw/zinc/26/57/89/1061265789.db2.gz WNSJBUKFIIKEAT-HXUWFJFHSA-N 1 2 460.648 2.877 20 0 JFADLO Cc1ccc(NC(=O)c2nnc(N(C)Cc3cnccn3)n2CC[N@@H+]2CCOCC2(C)C)cc1C ZINC001289722729 1061330694 /nfs/dbraw/zinc/33/06/94/1061330694.db2.gz ITOWEOGCYQODCL-UHFFFAOYSA-N 1 2 478.601 2.684 20 0 JFADLO Cc1ccc(NC(=O)c2nnc(N(C)Cc3cnccn3)n2CC[N@H+]2CCOCC2(C)C)cc1C ZINC001289722729 1061330715 /nfs/dbraw/zinc/33/07/15/1061330715.db2.gz ITOWEOGCYQODCL-UHFFFAOYSA-N 1 2 478.601 2.684 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N2Cc3cc(Br)ccc3[C@@H](C)C2)CC1 ZINC001286888540 1061342165 /nfs/dbraw/zinc/34/21/65/1061342165.db2.gz BOPTXLKKJBOIET-HNNXBMFYSA-N 1 2 461.408 2.637 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001286888799 1061344288 /nfs/dbraw/zinc/34/42/88/1061344288.db2.gz GGNITSLBJIOPMR-OALUTQOASA-N 1 2 491.036 2.851 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001286888800 1061344393 /nfs/dbraw/zinc/34/43/93/1061344393.db2.gz GGNITSLBJIOPMR-RBUKOAKNSA-N 1 2 491.036 2.851 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N(C)CCOCc2ccccc2)CC1 ZINC001286888950 1061344704 /nfs/dbraw/zinc/34/47/04/1061344704.db2.gz AEWQUWXYVMIJTJ-UHFFFAOYSA-N 1 2 456.635 2.684 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)CC(C)(C)C)CC1 ZINC001286889134 1061345784 /nfs/dbraw/zinc/34/57/84/1061345784.db2.gz DLQOWQGWYDDRSG-BGYRXZFFSA-N 1 2 491.681 2.695 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(N(C)Cc3ccc(OC(F)F)cc3)nnc2C(C)(C)C)CC1 ZINC001286889200 1061346498 /nfs/dbraw/zinc/34/64/98/1061346498.db2.gz GEQFWAHUWLFVFF-UHFFFAOYSA-N 1 2 464.561 2.978 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCS[C@H](C)[C@H]2C)CC1 ZINC001286889233 1061346964 /nfs/dbraw/zinc/34/69/64/1061346964.db2.gz HIYGYDVVRYRJDS-VURPSTOHSA-N 1 2 478.707 2.691 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccc(F)cc3)nnc2N(C)CCCc2ccccn2)CC1 ZINC001286889382 1061348010 /nfs/dbraw/zinc/34/80/10/1061348010.db2.gz FFFILGWSBHLERD-UHFFFAOYSA-N 1 2 479.604 2.636 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC001286889471 1061348512 /nfs/dbraw/zinc/34/85/12/1061348512.db2.gz IYHTUGLFOZSOGN-BHIFYINESA-N 1 2 490.693 2.612 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCCOCC2)CC1 ZINC001286889521 1061349194 /nfs/dbraw/zinc/34/91/94/1061349194.db2.gz KLYFYWBJDFBMPL-UHFFFAOYSA-N 1 2 484.645 2.680 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3cccnc3)nnc2N(C)Cc2cc(C)ccc2F)CC1 ZINC001286889705 1061349641 /nfs/dbraw/zinc/34/96/41/1061349641.db2.gz JIXMMBLRDOZFHG-UHFFFAOYSA-N 1 2 465.577 2.512 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Br)s3)nnc2N2CCSC[C@H]2C)CC1 ZINC001286889825 1061351554 /nfs/dbraw/zinc/35/15/54/1061351554.db2.gz MQDRAGXDASYCGP-CQSZACIVSA-N 1 2 499.504 2.875 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(CCOc3ccccc3)nnc2N2C[C@H](C)CC[C@H]2C)CC1 ZINC001286889897 1061352442 /nfs/dbraw/zinc/35/24/42/1061352442.db2.gz MRVPFBBYUBFXPP-NHCUHLMSSA-N 1 2 454.619 2.689 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2scnc2C)CC1 ZINC001286890228 1061353319 /nfs/dbraw/zinc/35/33/19/1061353319.db2.gz PFJYCYLZBQBRSX-TZIWHRDSSA-N 1 2 489.690 2.762 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3cccnc3)nnc2N(C)C/C(C)=C\c2ccccc2)CC1 ZINC001286890373 1061354453 /nfs/dbraw/zinc/35/44/53/1061354453.db2.gz PJNSILIFHRTSBJ-PYCFMQQDSA-N 1 2 473.625 2.968 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCOC[C@H]2C)CC1 ZINC001286890440 1061354542 /nfs/dbraw/zinc/35/45/42/1061354542.db2.gz RBIJIAJOJVKONW-HXUWFJFHSA-N 1 2 484.645 2.544 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3cccc(C)c3)nnc2N2CCC[C@H]2C(C)C)CC1 ZINC001286890626 1061356113 /nfs/dbraw/zinc/35/61/13/1061356113.db2.gz UPELCNICBPBKGA-QHCPKHFHSA-N 1 2 454.619 2.954 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCOC3)nnc2N(C)[C@@H](C)c2ccccc2F)CC1 ZINC001286890963 1061357540 /nfs/dbraw/zinc/35/75/40/1061357540.db2.gz VHGBPIZIENWRGY-ICSRJNTNSA-N 1 2 458.582 2.673 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(CCc3ccccc3)nnc2N(C)Cc2ccc(C)o2)CC1 ZINC001286890952 1061357746 /nfs/dbraw/zinc/35/77/46/1061357746.db2.gz VGNHCCAHWRJMLG-UHFFFAOYSA-N 1 2 450.587 2.765 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(F)cc3)nnc2N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001286891016 1061357952 /nfs/dbraw/zinc/35/79/52/1061357952.db2.gz YCAFPNOHFABKHN-KDURUIRLSA-N 1 2 458.582 2.643 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(CCCc3ccccc3)nnc2N(C)Cc2ccccn2)CC1 ZINC001286891073 1061358464 /nfs/dbraw/zinc/35/84/64/1061358464.db2.gz ZLYJMFZUDKYOBJ-UHFFFAOYSA-N 1 2 461.614 2.649 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001286891284 1061359053 /nfs/dbraw/zinc/35/90/53/1061359053.db2.gz WZRXDZYMULZRHP-MOPGFXCFSA-N 1 2 488.608 2.725 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2CC[N@H+]2CCOC[C@@H]2C)cc1 ZINC001289820710 1061482859 /nfs/dbraw/zinc/48/28/59/1061482859.db2.gz HPAAQPUWGFMBRN-NRFANRHFSA-N 1 2 484.645 2.581 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC001289820710 1061482866 /nfs/dbraw/zinc/48/28/66/1061482866.db2.gz HPAAQPUWGFMBRN-NRFANRHFSA-N 1 2 484.645 2.581 20 0 JFADLO CC(=O)NC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001286915879 1061496423 /nfs/dbraw/zinc/49/64/23/1061496423.db2.gz DWDBSMIFQADTHS-ZWKOTPCHSA-N 1 2 491.036 2.897 20 0 JFADLO CC(=O)NC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001286915879 1061496433 /nfs/dbraw/zinc/49/64/33/1061496433.db2.gz DWDBSMIFQADTHS-ZWKOTPCHSA-N 1 2 491.036 2.897 20 0 JFADLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C1 ZINC001289834676 1061512254 /nfs/dbraw/zinc/51/22/54/1061512254.db2.gz FWPJAGZYKLBZNQ-LJQANCHMSA-N 1 2 459.616 2.840 20 0 JFADLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)C1 ZINC001289835712 1061512614 /nfs/dbraw/zinc/51/26/14/1061512614.db2.gz KCVUHNPSAFUPIU-JKSUJKDBSA-N 1 2 450.630 2.945 20 0 JFADLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)C1 ZINC001289835705 1061512652 /nfs/dbraw/zinc/51/26/52/1061512652.db2.gz KCVUHNPSAFUPIU-CVEARBPZSA-N 1 2 450.630 2.945 20 0 JFADLO Cc1ccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001289840959 1061516415 /nfs/dbraw/zinc/51/64/15/1061516415.db2.gz HAGGIMGPGBGOGD-QHCPKHFHSA-N 1 2 484.645 2.695 20 0 JFADLO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001286925632 1061535587 /nfs/dbraw/zinc/53/55/87/1061535587.db2.gz DCMORVUBQLIUBZ-IBGZPJMESA-N 1 2 453.616 2.792 20 0 JFADLO Cc1ccc(SCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[N@H+]2CCOC[C@@H]2C)cc1 ZINC001289861125 1061543467 /nfs/dbraw/zinc/54/34/67/1061543467.db2.gz PWXCWVJOKMSMBN-IBGZPJMESA-N 1 2 474.675 2.950 20 0 JFADLO Cc1ccc(SCc2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC001289861125 1061543481 /nfs/dbraw/zinc/54/34/81/1061543481.db2.gz PWXCWVJOKMSMBN-IBGZPJMESA-N 1 2 474.675 2.950 20 0 JFADLO CCC[C@H]1CN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC001294095427 1061573938 /nfs/dbraw/zinc/57/39/38/1061573938.db2.gz OWRRVGPUQYFKHX-RTWAWAEBSA-N 1 2 495.715 2.692 20 0 JFADLO CCC[C@H]1CN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC001294095427 1061573955 /nfs/dbraw/zinc/57/39/55/1061573955.db2.gz OWRRVGPUQYFKHX-RTWAWAEBSA-N 1 2 495.715 2.692 20 0 JFADLO CCC[C@H]1CN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC001294095428 1061574041 /nfs/dbraw/zinc/57/40/41/1061574041.db2.gz OWRRVGPUQYFKHX-SFTDATJTSA-N 1 2 495.715 2.692 20 0 JFADLO CCC[C@H]1CN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC001294095428 1061574059 /nfs/dbraw/zinc/57/40/59/1061574059.db2.gz OWRRVGPUQYFKHX-SFTDATJTSA-N 1 2 495.715 2.692 20 0 JFADLO Cc1cccc([C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC(F)(F)F)[NH+]2CCOCC2)c1 ZINC001289893303 1061578251 /nfs/dbraw/zinc/57/82/51/1061578251.db2.gz HEEPBDMXBUVAEK-QZTJIDSGSA-N 1 2 466.508 2.610 20 0 JFADLO Cc1cccc([C@H](Cn2c(C3CC3)nnc2N(C)CCNC(=O)C(C)C)[NH+]2CCOCC2)c1 ZINC001289893568 1061578589 /nfs/dbraw/zinc/57/85/89/1061578589.db2.gz ILGCOQNKDMNVLP-QFIPXVFZSA-N 1 2 454.619 2.746 20 0 JFADLO Cc1cccc([C@@H](Cn2c(C(C)C)nnc2N(C)CCNC(=O)C(C)C)[NH+]2CCOCC2)c1 ZINC001289894659 1061580354 /nfs/dbraw/zinc/58/03/54/1061580354.db2.gz VEVQVAFEJGLWIG-JOCHJYFZSA-N 1 2 456.635 2.992 20 0 JFADLO CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCCNc2cccc[nH+]2)CCO1 ZINC001286942693 1061596222 /nfs/dbraw/zinc/59/62/22/1061596222.db2.gz WSFXFQJEJWPCRZ-FQEVSTJZSA-N 1 2 469.977 2.837 20 0 JFADLO Cc1cccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CC[N@@H+]2CCc3ccccc3C2)n1 ZINC001289909578 1061599710 /nfs/dbraw/zinc/59/97/10/1061599710.db2.gz QVABLVAJHFYPPN-LJQANCHMSA-N 1 2 468.627 2.576 20 0 JFADLO Cc1cccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CC[N@H+]2CCc3ccccc3C2)n1 ZINC001289909578 1061599733 /nfs/dbraw/zinc/59/97/33/1061599733.db2.gz QVABLVAJHFYPPN-LJQANCHMSA-N 1 2 468.627 2.576 20 0 JFADLO Cc1cccc(-c2nnc(N(C)CCCCCO)n2Cc2ccc[nH+]c2N2CCOCC2)n1 ZINC001289928135 1061617702 /nfs/dbraw/zinc/61/77/02/1061617702.db2.gz CPAPXJIRERBQER-UHFFFAOYSA-N 1 2 451.575 2.527 20 0 JFADLO Cc1cccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2Cc2cccnc2OCC(F)(F)F)n1 ZINC001289932160 1061624623 /nfs/dbraw/zinc/62/46/23/1061624623.db2.gz QGLHUUSHHRHZJF-UHFFFAOYSA-N 1 2 491.518 2.801 20 0 JFADLO Cc1cccc(-c2nnc(N(C)CCNC(=O)C(C)C)n2C[C@@H](c2cccs2)[NH+]2CCOCC2)n1 ZINC001289932559 1061625791 /nfs/dbraw/zinc/62/57/91/1061625791.db2.gz VKWUTYJRDXNYNE-NRFANRHFSA-N 1 2 497.669 2.992 20 0 JFADLO Cc1cccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@](C)(O)c2ccccc2Cl)n1 ZINC001289932595 1061626874 /nfs/dbraw/zinc/62/68/74/1061626874.db2.gz WIAFTMQROAAXNH-DEOSSOPVSA-N 1 2 471.005 2.978 20 0 JFADLO CCCCCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001294163635 1061651831 /nfs/dbraw/zinc/65/18/31/1061651831.db2.gz CFKCMQBEYLGNNZ-OAQYLSRUSA-N 1 2 476.666 2.763 20 0 JFADLO CCCCCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001294163635 1061651844 /nfs/dbraw/zinc/65/18/44/1061651844.db2.gz CFKCMQBEYLGNNZ-OAQYLSRUSA-N 1 2 476.666 2.763 20 0 JFADLO CC(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001286950466 1061681892 /nfs/dbraw/zinc/68/18/92/1061681892.db2.gz GONBUULJGCDSHZ-UHFFFAOYSA-N 1 2 475.022 2.607 20 0 JFADLO CC(=O)NCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001286954205 1061704181 /nfs/dbraw/zinc/70/41/81/1061704181.db2.gz ICPXOOTYGIVXEC-UHFFFAOYSA-N 1 2 463.586 2.722 20 0 JFADLO Cc1cccc(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCc3ccccc3CC2)[nH+]1 ZINC001290002735 1061727674 /nfs/dbraw/zinc/72/76/74/1061727674.db2.gz IFJQNKZIZZJLON-LJQANCHMSA-N 1 2 468.627 2.830 20 0 JFADLO Cc1cccc(CCCn2c(C(=O)N3CCCC3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)[nH+]1 ZINC001290004285 1061731331 /nfs/dbraw/zinc/73/13/31/1061731331.db2.gz ZUPGWRUCOWPIIC-SFHVURJKSA-N 1 2 479.551 2.923 20 0 JFADLO Cc1cccc(CCCn2c([C@H]3CCOC3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)[nH+]1 ZINC001290008918 1061732835 /nfs/dbraw/zinc/73/28/35/1061732835.db2.gz DCWSFMGCNCOWJN-PZJWPPBQSA-N 1 2 486.617 2.848 20 0 JFADLO Cc1cccc(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)[nH+]1 ZINC001290009702 1061734561 /nfs/dbraw/zinc/73/45/61/1061734561.db2.gz PKKBPIYYZZCOJB-PVAVHDDUSA-N 1 2 452.481 2.721 20 0 JFADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C(C)(C)O)cc2)CC1 ZINC001286972150 1061752247 /nfs/dbraw/zinc/75/22/47/1061752247.db2.gz OSGHORWJFZENMN-HXUWFJFHSA-N 1 2 482.673 2.984 20 0 JFADLO C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc(C(C)(C)C)n2CCCNc2cccc[nH+]2)CC1 ZINC001286972428 1061754369 /nfs/dbraw/zinc/75/43/69/1061754369.db2.gz RPRDJVOBMNYESN-HXUWFJFHSA-N 1 2 468.650 2.606 20 0 JFADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@](C)(O)c2ccsc2)CC1 ZINC001286972936 1061755857 /nfs/dbraw/zinc/75/58/57/1061755857.db2.gz XBAKDYUIKFHWDG-HOYKHHGWSA-N 1 2 474.675 2.678 20 0 JFADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC[C@H]2CCCCO2)CC1 ZINC001286973005 1061757947 /nfs/dbraw/zinc/75/79/47/1061757947.db2.gz YKXUOIAMQLAXDE-NHCUHLMSSA-N 1 2 460.667 2.959 20 0 JFADLO CCCCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001294254790 1061760316 /nfs/dbraw/zinc/76/03/16/1061760316.db2.gz TTXRUTIIALPKEJ-RTBURBONSA-N 1 2 464.636 2.516 20 0 JFADLO CCCCn1c(Cc2ccccc2OC)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001294280627 1061771703 /nfs/dbraw/zinc/77/17/03/1061771703.db2.gz ILCQVPPLWPKIRH-QHCPKHFHSA-N 1 2 470.662 2.909 20 0 JFADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccccn2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001286975359 1061776522 /nfs/dbraw/zinc/77/65/22/1061776522.db2.gz LVLBRKAMBYYSNH-KGVIQGDOSA-N 1 2 488.633 2.964 20 0 JFADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001286977220 1061790127 /nfs/dbraw/zinc/79/01/27/1061790127.db2.gz RCOCIDNSQMWGIL-UXHICEINSA-N 1 2 497.669 2.955 20 0 JFADLO Cc1cccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)c1 ZINC001290066877 1061791436 /nfs/dbraw/zinc/79/14/36/1061791436.db2.gz QNTAWYNBEKDLSJ-IBGZPJMESA-N 1 2 463.586 2.767 20 0 JFADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001286977795 1061793841 /nfs/dbraw/zinc/79/38/41/1061793841.db2.gz SPNGKGYDRGXXOZ-FKPGQJDZSA-N 1 2 481.638 2.872 20 0 JFADLO Cc1cccc(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@@H](C)[NH+]2CCOCC2)c1 ZINC001290073566 1061802257 /nfs/dbraw/zinc/80/22/57/1061802257.db2.gz JKGRQEAQQGEPFT-LJQANCHMSA-N 1 2 482.551 2.571 20 0 JFADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC[NH+]1CCSCC1 ZINC001286979461 1061807362 /nfs/dbraw/zinc/80/73/62/1061807362.db2.gz YVSNIIGRSWAYEZ-QZTJIDSGSA-N 1 2 490.699 2.657 20 0 JFADLO CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001290079176 1061809413 /nfs/dbraw/zinc/80/94/13/1061809413.db2.gz OFXILCMUOOBBRQ-NRFANRHFSA-N 1 2 459.587 2.626 20 0 JFADLO CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001290079177 1061809726 /nfs/dbraw/zinc/80/97/26/1061809726.db2.gz OFXILCMUOOBBRQ-OAQYLSRUSA-N 1 2 459.587 2.626 20 0 JFADLO CCOc1ccccc1N1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CC1 ZINC001290101937 1061830804 /nfs/dbraw/zinc/83/08/04/1061830804.db2.gz BHWFVMPXACIDBJ-NRFANRHFSA-N 1 2 453.587 2.765 20 0 JFADLO CCOc1ccccc1N1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CC1 ZINC001290101937 1061830823 /nfs/dbraw/zinc/83/08/23/1061830823.db2.gz BHWFVMPXACIDBJ-NRFANRHFSA-N 1 2 453.587 2.765 20 0 JFADLO Cc1ccccc1-c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCC(C)(C)O ZINC001290133981 1061869288 /nfs/dbraw/zinc/86/92/88/1061869288.db2.gz YKBPWRQDRIOFJH-JOCHJYFZSA-N 1 2 470.662 2.646 20 0 JFADLO CN(C)c1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc[nH+]1 ZINC001294343731 1061896405 /nfs/dbraw/zinc/89/64/05/1061896405.db2.gz GFRUETXGTGEFEG-UHFFFAOYSA-N 1 2 454.508 2.972 20 0 JFADLO CC(C)(C)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001287001431 1061918239 /nfs/dbraw/zinc/91/82/39/1061918239.db2.gz RLBQBJAYFDFLGE-UHFFFAOYSA-N 1 2 475.663 2.527 20 0 JFADLO CC(C)(C)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001287011844 1061943902 /nfs/dbraw/zinc/94/39/02/1061943902.db2.gz RGEDJXWFRPPOQF-MRXNPFEDSA-N 1 2 454.497 2.623 20 0 JFADLO CC(C)OCC[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)CC1 ZINC001294397744 1061967424 /nfs/dbraw/zinc/96/74/24/1061967424.db2.gz PCLYNOHQNZSCMQ-PMACEKPBSA-N 1 2 451.633 2.536 20 0 JFADLO CC(C)OCC[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)N[C@H](C)c3ccccc3)c2)CC1 ZINC001294398999 1061968073 /nfs/dbraw/zinc/96/80/73/1061968073.db2.gz YALJCNOHCKWNJC-HXUWFJFHSA-N 1 2 459.612 2.909 20 0 JFADLO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3O)cc2)CC1 ZINC001290222452 1061971066 /nfs/dbraw/zinc/97/10/66/1061971066.db2.gz WRSUOYSPGQPJLJ-UHFFFAOYSA-N 1 2 458.584 2.571 20 0 JFADLO CCCCOCCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC001294403060 1061971250 /nfs/dbraw/zinc/97/12/50/1061971250.db2.gz OZLVRZMHUOMRRO-JOCHJYFZSA-N 1 2 483.661 2.988 20 0 JFADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(N(C)CC(=O)NC(C)(C)C)nnc1[C@@]1(OC(C)C)CCOC1)CCC2 ZINC001290296228 1062026182 /nfs/dbraw/zinc/02/61/82/1062026182.db2.gz RIBGBDGMXOOVPA-KBMIEXCESA-N 1 2 487.649 2.752 20 0 JFADLO Cc1cc(N2CCN(C(=O)[C@@]34CN(C(=O)OC(C)(C)C)C[C@@H]3CCOC4)CC2)nc(C(C)C)[nH+]1 ZINC001290320443 1062045031 /nfs/dbraw/zinc/04/50/31/1062045031.db2.gz HLNFFDOGDGJFQD-UQBPGWFLSA-N 1 2 473.618 2.831 20 0 JFADLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccc(CS(=O)(=O)NC)cc3)c2C1 ZINC001290358933 1062068787 /nfs/dbraw/zinc/06/87/87/1062068787.db2.gz PRFVGYMACJPOSQ-UHFFFAOYSA-N 1 2 452.580 2.592 20 0 JFADLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccc(CS(=O)(=O)NC)cc3)c2C1 ZINC001290358933 1062068806 /nfs/dbraw/zinc/06/88/06/1062068806.db2.gz PRFVGYMACJPOSQ-UHFFFAOYSA-N 1 2 452.580 2.592 20 0 JFADLO C[N@@H+]1CCN(C(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001294571673 1062084497 /nfs/dbraw/zinc/08/44/97/1062084497.db2.gz GCPBCNJSJHKQRE-OAQYLSRUSA-N 1 2 452.555 2.964 20 0 JFADLO C[N@H+]1CCN(C(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001294571673 1062084518 /nfs/dbraw/zinc/08/45/18/1062084518.db2.gz GCPBCNJSJHKQRE-OAQYLSRUSA-N 1 2 452.555 2.964 20 0 JFADLO Cc1ccc(-n2nc(C(=O)N3CC[N@@H+](C)C[C@@H]3CNC(=O)OC(C)(C)C)c3c2CCC3)cc1 ZINC001294572144 1062085497 /nfs/dbraw/zinc/08/54/97/1062085497.db2.gz IGAGFGOGVCAOQT-IBGZPJMESA-N 1 2 453.587 2.950 20 0 JFADLO Cc1ccc(-n2nc(C(=O)N3CC[N@H+](C)C[C@@H]3CNC(=O)OC(C)(C)C)c3c2CCC3)cc1 ZINC001294572144 1062085516 /nfs/dbraw/zinc/08/55/16/1062085516.db2.gz IGAGFGOGVCAOQT-IBGZPJMESA-N 1 2 453.587 2.950 20 0 JFADLO C[N@@H+]1CCN(C(=O)[C@H]2CC(c3cccc(Cl)c3F)=NO2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001294573388 1062087237 /nfs/dbraw/zinc/08/72/37/1062087237.db2.gz PVSUSPRJIHMASS-CXAGYDPISA-N 1 2 454.930 2.639 20 0 JFADLO C[N@H+]1CCN(C(=O)[C@H]2CC(c3cccc(Cl)c3F)=NO2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001294573388 1062087263 /nfs/dbraw/zinc/08/72/63/1062087263.db2.gz PVSUSPRJIHMASS-CXAGYDPISA-N 1 2 454.930 2.639 20 0 JFADLO Cc1nc(Cc2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2C[C@@H](C)[NH+]2CCOCC2)cs1 ZINC001290394240 1062096635 /nfs/dbraw/zinc/09/66/35/1062096635.db2.gz DMSRRFTZEQBDLY-CQSZACIVSA-N 1 2 498.579 2.743 20 0 JFADLO Cc1nc(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CC[S@@](=O)C(C)(C)C)cs1 ZINC001290400914 1062103245 /nfs/dbraw/zinc/10/32/45/1062103245.db2.gz INVOSEPXUAGAGR-JGCGQSQUSA-N 1 2 482.720 2.728 20 0 JFADLO Cc1nc(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CC[S@@](=O)C(C)(C)C)cs1 ZINC001290400914 1062103251 /nfs/dbraw/zinc/10/32/51/1062103251.db2.gz INVOSEPXUAGAGR-JGCGQSQUSA-N 1 2 482.720 2.728 20 0 JFADLO CCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001294603344 1062113419 /nfs/dbraw/zinc/11/34/19/1062113419.db2.gz YRYKASIJKMPZTC-SFHVURJKSA-N 1 2 456.591 2.505 20 0 JFADLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@H](C)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1 ZINC001290408413 1062121243 /nfs/dbraw/zinc/12/12/43/1062121243.db2.gz LTPDKUTVVABGPB-LJQANCHMSA-N 1 2 459.612 2.784 20 0 JFADLO Cc1nc(Cc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)cs1 ZINC001290411028 1062131150 /nfs/dbraw/zinc/13/11/50/1062131150.db2.gz UXKGWNZUZRWPNI-RDTXWAMCSA-N 1 2 475.569 2.527 20 0 JFADLO Cc1nc(Cc2nnc(N3CCC(CC(=O)N(C)C)CC3)n2Cc2ccc(N(C)C)[nH+]c2)cs1 ZINC001290413587 1062133225 /nfs/dbraw/zinc/13/32/25/1062133225.db2.gz CPOXGFLQILDWNQ-UHFFFAOYSA-N 1 2 482.658 2.838 20 0 JFADLO Cc1nc(Cc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@@H](c2ccsc2)[NH+](C)C)cs1 ZINC001290420888 1062155247 /nfs/dbraw/zinc/15/52/47/1062155247.db2.gz GKEVFOCHBWMQLD-MSOLQXFVSA-N 1 2 480.685 2.622 20 0 JFADLO Cc1nc(Cc2nnc(N3CC[NH+](C(C)C)CC3)n2CCS(=O)(=O)c2ccccc2)cs1 ZINC001290430347 1062186684 /nfs/dbraw/zinc/18/66/84/1062186684.db2.gz AOFJEQVHOINGAK-UHFFFAOYSA-N 1 2 474.656 2.638 20 0 JFADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C1 ZINC001294658420 1062205407 /nfs/dbraw/zinc/20/54/07/1062205407.db2.gz BOAWFFDDUGTRLB-LRJKXPEMSA-N 1 2 456.612 2.914 20 0 JFADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 ZINC001294659854 1062208382 /nfs/dbraw/zinc/20/83/82/1062208382.db2.gz MFGPMSFHXNRBDA-INIZCTEOSA-N 1 2 450.992 2.953 20 0 JFADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1 ZINC001290452688 1062229911 /nfs/dbraw/zinc/22/99/11/1062229911.db2.gz NVTGGPZWMOREAY-KRWDZBQOSA-N 1 2 453.465 2.643 20 0 JFADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1 ZINC001290452688 1062229929 /nfs/dbraw/zinc/22/99/29/1062229929.db2.gz NVTGGPZWMOREAY-KRWDZBQOSA-N 1 2 453.465 2.643 20 0 JFADLO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)NC1CC[NH+](CC(=O)Nc3ccccc3)CC1)C2 ZINC001290462707 1062245546 /nfs/dbraw/zinc/24/55/46/1062245546.db2.gz GEKBZTNKCVRVFC-HKBOAZHASA-N 1 2 456.587 2.994 20 0 JFADLO O=C(COc1ccc(C2SCCCS2)cc1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC001294690399 1062249310 /nfs/dbraw/zinc/24/93/10/1062249310.db2.gz BAPKKVGDUMOZJS-FQEVSTJZSA-N 1 2 452.642 2.884 20 0 JFADLO Cc1cccc2c1C[C@H](C(=O)N1CC[C@H](OCC[NH+]3CCOCC3)C1)N2C(=O)OC(C)(C)C ZINC001294691669 1062251076 /nfs/dbraw/zinc/25/10/76/1062251076.db2.gz YHIMFLNXXIKTMO-SIKLNZKXSA-N 1 2 459.587 2.611 20 0 JFADLO CC(C)(C)[S@](=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001287086347 1062262520 /nfs/dbraw/zinc/26/25/20/1062262520.db2.gz JJJPDURFIACLQP-QPHCHLROSA-N 1 2 465.689 2.636 20 0 JFADLO CC(C)(C)[S@@](=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001287088631 1062272020 /nfs/dbraw/zinc/27/20/20/1062272020.db2.gz PREZIINWJKMLFS-IAQAZVPISA-N 1 2 481.066 2.699 20 0 JFADLO CC(C)(C)[S@](=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001287089139 1062274494 /nfs/dbraw/zinc/27/44/94/1062274494.db2.gz QMAXRJMLKUAHIC-IETZIPDJSA-N 1 2 467.680 2.616 20 0 JFADLO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001287089271 1062275739 /nfs/dbraw/zinc/27/57/39/1062275739.db2.gz LLLKDAPDHFPCFV-QZTJIDSGSA-N 1 2 467.680 2.694 20 0 JFADLO CCCN1CCCN(c2nnc([C@H](C)CC)n2Cc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)CC1=O ZINC001294712344 1062282102 /nfs/dbraw/zinc/28/21/02/1062282102.db2.gz RCVXDMDAZIVZDC-UXHICEINSA-N 1 2 469.634 2.909 20 0 JFADLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC001290493636 1062283456 /nfs/dbraw/zinc/28/34/56/1062283456.db2.gz RRAHLUVKFLEMAN-QHCPKHFHSA-N 1 2 457.596 2.547 20 0 JFADLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)NC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC001290493636 1062283474 /nfs/dbraw/zinc/28/34/74/1062283474.db2.gz RRAHLUVKFLEMAN-QHCPKHFHSA-N 1 2 457.596 2.547 20 0 JFADLO Cc1ncc(C[NH+]2CCN(c3nnc(CC(C)C)n3Cc3cccc(C(N)=O)c3)CC2)s1 ZINC001290496313 1062284784 /nfs/dbraw/zinc/28/47/84/1062284784.db2.gz JDWRAXZELNRSOR-UHFFFAOYSA-N 1 2 453.616 2.711 20 0 JFADLO Cc1ccccc1Cc1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CCCNC(=O)C(C)C ZINC001290501723 1062294344 /nfs/dbraw/zinc/29/43/44/1062294344.db2.gz QXPVXXPJGNJZQV-UHFFFAOYSA-N 1 2 476.629 2.765 20 0 JFADLO Cc1nc(N2CCN(c3nnc(CCOc4ccccc4)n3CC[S@](=O)C(C)(C)C)CC2)cc[nH+]1 ZINC001290501809 1062295281 /nfs/dbraw/zinc/29/52/81/1062295281.db2.gz SFVHMNUTMKWZCI-DHUJRADRSA-N 1 2 497.669 2.872 20 0 JFADLO Cc1nc(N2CCN(c3nnc([C@@H]4CCOC4)n3CC(C)(C)NC(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC001290501793 1062295350 /nfs/dbraw/zinc/29/53/50/1062295350.db2.gz RZIIHIJCUMKBNL-GOSISDBHSA-N 1 2 486.621 2.510 20 0 JFADLO Cc1nc(N2CCN(c3nnc(Cc4ccsc4)n3CC[S@](=O)C(C)(C)C)CC2)cc[nH+]1 ZINC001290502005 1062295827 /nfs/dbraw/zinc/29/58/27/1062295827.db2.gz VFQJENJMRVZVKV-YTTGMZPUSA-N 1 2 473.672 2.903 20 0 JFADLO CC(C)(O)CCn1c([C@@H]2CCOC2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001287097722 1062303288 /nfs/dbraw/zinc/30/32/88/1062303288.db2.gz UPJCXMJWNTZPBR-GOSISDBHSA-N 1 2 464.010 2.797 20 0 JFADLO CC(C)=CCCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC001287100987 1062310730 /nfs/dbraw/zinc/31/07/30/1062310730.db2.gz ACZKRKRLDXGQPL-UHFFFAOYSA-N 1 2 468.602 2.866 20 0 JFADLO CCCN1CCCN(c2nnc(COCC)n2C[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)CC1=O ZINC001294743489 1062331744 /nfs/dbraw/zinc/33/17/44/1062331744.db2.gz PNOQJMIXXRJBNY-QHCPKHFHSA-N 1 2 484.645 2.645 20 0 JFADLO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001287124532 1062382644 /nfs/dbraw/zinc/38/26/44/1062382644.db2.gz IPNCVVODHIAQNI-FPOVZHCZSA-N 1 2 474.675 2.640 20 0 JFADLO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccn3C)n2CCCNc2cccc[nH+]2)C1 ZINC001294792519 1062415217 /nfs/dbraw/zinc/41/52/17/1062415217.db2.gz VTWHGFCCFMQXDP-IBGZPJMESA-N 1 2 450.591 2.923 20 0 JFADLO CC(C)C(=O)NCCN(C)c1nnc(Cc2ccccn2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001287131967 1062429113 /nfs/dbraw/zinc/42/91/13/1062429113.db2.gz APZGDLPOACFNRJ-UHFFFAOYSA-N 1 2 476.560 2.845 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N(C)CC[NH+]3CCOCC3)n2Cc2ccc(F)c(Cl)c2)n1 ZINC001290612443 1062455989 /nfs/dbraw/zinc/45/59/89/1062455989.db2.gz JCFBSZHIYFWKEG-UHFFFAOYSA-N 1 2 461.973 2.749 20 0 JFADLO C[C@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)C[N@@H+]1Cc1ccccc1 ZINC001294807828 1062461660 /nfs/dbraw/zinc/46/16/60/1062461660.db2.gz WLVXQAMDQSGOIR-PGRDOPGGSA-N 1 2 450.564 2.697 20 0 JFADLO C[C@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)C[N@H+]1Cc1ccccc1 ZINC001294807828 1062461672 /nfs/dbraw/zinc/46/16/72/1062461672.db2.gz WLVXQAMDQSGOIR-PGRDOPGGSA-N 1 2 450.564 2.697 20 0 JFADLO CCCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001294834090 1062523680 /nfs/dbraw/zinc/52/36/80/1062523680.db2.gz LGLCBRKNOKMCTH-NRFANRHFSA-N 1 2 484.645 2.629 20 0 JFADLO CCCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001294834091 1062523766 /nfs/dbraw/zinc/52/37/66/1062523766.db2.gz LGLCBRKNOKMCTH-OAQYLSRUSA-N 1 2 484.645 2.629 20 0 JFADLO CCCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC001294834873 1062525676 /nfs/dbraw/zinc/52/56/76/1062525676.db2.gz WCJZNOOCFJYWPE-UHFFFAOYSA-N 1 2 469.634 2.991 20 0 JFADLO CCCNC(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001294839527 1062532206 /nfs/dbraw/zinc/53/22/06/1062532206.db2.gz KAYDAVIUEKSHFX-UHFFFAOYSA-N 1 2 493.612 2.902 20 0 JFADLO CC(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001287158551 1062552140 /nfs/dbraw/zinc/55/21/40/1062552140.db2.gz TVRAFSMXOCWWMJ-SFTDATJTSA-N 1 2 476.666 2.655 20 0 JFADLO CCCNC(=O)CCn1c(N2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)nnc1C(C)(C)C ZINC001294872339 1062580503 /nfs/dbraw/zinc/58/05/03/1062580503.db2.gz PTOGHGFUYHOBPZ-UHFFFAOYSA-N 1 2 460.598 2.962 20 0 JFADLO CC(C)c1ncc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNc2cccc[nH+]2)cn1 ZINC001287174722 1062598194 /nfs/dbraw/zinc/59/81/94/1062598194.db2.gz SZJRRNDJYXDSNZ-IBGZPJMESA-N 1 2 484.630 2.627 20 0 JFADLO Cc1nnc(CCn2c(COc3ccc(C)c(C)c3)nnc2N(C)CC[NH+]2CCOCC2)s1 ZINC001290691174 1062610381 /nfs/dbraw/zinc/61/03/81/1062610381.db2.gz ANOYASZRLCABAK-UHFFFAOYSA-N 1 2 471.631 2.645 20 0 JFADLO C[C@H](C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001290700515 1062636315 /nfs/dbraw/zinc/63/63/15/1062636315.db2.gz MANGJRHJBGCXDV-CQSZACIVSA-N 1 2 454.955 3.000 20 0 JFADLO Cc1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1Cc1ccc(NC(N)=O)cc1 ZINC001290713794 1062646495 /nfs/dbraw/zinc/64/64/95/1062646495.db2.gz QBAPRUSMWPXNRP-LJQANCHMSA-N 1 2 455.588 2.697 20 0 JFADLO CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001287214260 1062677589 /nfs/dbraw/zinc/67/75/89/1062677589.db2.gz LREKGSRZMQITKO-WOJBJXKFSA-N 1 2 476.572 2.810 20 0 JFADLO CC(C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@](C)(O)c1cccs1 ZINC001287215656 1062686067 /nfs/dbraw/zinc/68/60/67/1062686067.db2.gz IKLUZWTYZUESNB-MBSDFSHPSA-N 1 2 460.648 2.504 20 0 JFADLO CC(C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1Cc1cc(F)ccc1F ZINC001287224052 1062711740 /nfs/dbraw/zinc/71/17/40/1062711740.db2.gz RNQFYRNMTOSAOE-NRFANRHFSA-N 1 2 462.589 2.959 20 0 JFADLO Cc1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001290824019 1062717959 /nfs/dbraw/zinc/71/79/59/1062717959.db2.gz LGSXFXMWPLLJOO-NRFANRHFSA-N 1 2 475.663 2.518 20 0 JFADLO CC(C)c1nnc(N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001287230518 1062718761 /nfs/dbraw/zinc/71/87/61/1062718761.db2.gz BOUNZYJPEWVRLH-YSIASYRMSA-N 1 2 462.639 2.862 20 0 JFADLO CC(C)c1nnc(N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001287230518 1062718781 /nfs/dbraw/zinc/71/87/81/1062718781.db2.gz BOUNZYJPEWVRLH-YSIASYRMSA-N 1 2 462.639 2.862 20 0 JFADLO Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1cccc(C(F)(F)F)c1 ZINC001290856300 1062739509 /nfs/dbraw/zinc/73/95/09/1062739509.db2.gz DVLVDHBNPHNCBS-INIZCTEOSA-N 1 2 450.509 2.787 20 0 JFADLO CCCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)C)CC2)cc1OC ZINC001294959111 1062741712 /nfs/dbraw/zinc/74/17/12/1062741712.db2.gz DCCCASOIJSVFSA-HXUWFJFHSA-N 1 2 491.658 2.556 20 0 JFADLO CC(C)[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCOCC2(C)C)CCS1 ZINC001287274591 1062750839 /nfs/dbraw/zinc/75/08/39/1062750839.db2.gz SFRSSOKXYKYYGM-GOSISDBHSA-N 1 2 473.647 2.614 20 0 JFADLO CC(C)[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCOCC2(C)C)CCS1 ZINC001287274591 1062750857 /nfs/dbraw/zinc/75/08/57/1062750857.db2.gz SFRSSOKXYKYYGM-GOSISDBHSA-N 1 2 473.647 2.614 20 0 JFADLO Cc1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1CC(=O)NC1CCCCC1 ZINC001290878133 1062763176 /nfs/dbraw/zinc/76/31/76/1062763176.db2.gz BVXIQSYMOSTIKM-UHFFFAOYSA-N 1 2 461.010 2.890 20 0 JFADLO Cc1noc(C)c1CCn1c(CC(C)C)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001290917689 1062793148 /nfs/dbraw/zinc/79/31/48/1062793148.db2.gz IFSZBQICDHCVSP-JOCHJYFZSA-N 1 2 473.666 2.555 20 0 JFADLO Cc1noc(C)c1Cn1c(CC(C)(C)C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001290936726 1062812010 /nfs/dbraw/zinc/81/20/10/1062812010.db2.gz LTOMMUAPHZWTMB-GOSISDBHSA-N 1 2 457.623 2.653 20 0 JFADLO C[C@@H](C(=O)NC1CCN(C(=O)c2ccccc2F)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001290942990 1062816048 /nfs/dbraw/zinc/81/60/48/1062816048.db2.gz MTAZATNVRRPWON-SFHVURJKSA-N 1 2 456.537 2.896 20 0 JFADLO CC(C)Cc1nnc(N(C)CC(=O)NC(C)(C)C)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001287355222 1062825936 /nfs/dbraw/zinc/82/59/36/1062825936.db2.gz DFMDZVIKMJKVBO-NRFANRHFSA-N 1 2 456.635 2.729 20 0 JFADLO CC(C)Cc1nnc(N(C)CC(=O)NC(C)(C)C)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001287355222 1062825953 /nfs/dbraw/zinc/82/59/53/1062825953.db2.gz DFMDZVIKMJKVBO-NRFANRHFSA-N 1 2 456.635 2.729 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc(CC4CCCC4)n3CCC(=O)NC(C)(C)C)CC2)on1 ZINC001290969803 1062843234 /nfs/dbraw/zinc/84/32/34/1062843234.db2.gz KILAZZVZYHWINS-UHFFFAOYSA-N 1 2 457.623 2.934 20 0 JFADLO CC(C)Cc1nnc(N2CCC(OCC(N)=O)CC2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001287425401 1062863499 /nfs/dbraw/zinc/86/34/99/1062863499.db2.gz JOMUWCRWNRJYFJ-UHFFFAOYSA-N 1 2 469.634 2.627 20 0 JFADLO CC(C)Cc1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001287442018 1062874097 /nfs/dbraw/zinc/87/40/97/1062874097.db2.gz ARFQNJWELRRGAR-QFIPXVFZSA-N 1 2 485.658 2.535 20 0 JFADLO CC(C)NC(=O)c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001290997372 1062889428 /nfs/dbraw/zinc/88/94/28/1062889428.db2.gz CGVBPJAUUKFRBM-QRVBRYPASA-N 1 2 455.607 2.567 20 0 JFADLO CC(C)Cc1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001287454379 1062889865 /nfs/dbraw/zinc/88/98/65/1062889865.db2.gz PPSAUUJGMFFAHZ-PZJWPPBQSA-N 1 2 490.674 2.549 20 0 JFADLO CC(C)Cc1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001287454380 1062889899 /nfs/dbraw/zinc/88/98/99/1062889899.db2.gz PPSAUUJGMFFAHZ-TZIWHRDSSA-N 1 2 490.674 2.549 20 0 JFADLO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001290997846 1062890205 /nfs/dbraw/zinc/89/02/05/1062890205.db2.gz FGPNMOMVQNDPHQ-BBWFWOEESA-N 1 2 475.594 2.744 20 0 JFADLO CC(C)Cc1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001287459532 1062896969 /nfs/dbraw/zinc/89/69/69/1062896969.db2.gz FTBDNNZVYBMKOM-FQEVSTJZSA-N 1 2 483.661 2.840 20 0 JFADLO CCN(C)C(=O)Cn1c(CCc2ccccc2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001295080066 1062910676 /nfs/dbraw/zinc/91/06/76/1062910676.db2.gz HHMFGZLBSALTLO-UHFFFAOYSA-N 1 2 467.643 2.629 20 0 JFADLO CC(C)Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@](C)(O)c1ccccc1 ZINC001287465820 1062913439 /nfs/dbraw/zinc/91/34/39/1062913439.db2.gz PRSKWRSENSETBT-QFQXNSOFSA-N 1 2 468.646 2.517 20 0 JFADLO CC(C)Cc1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCNC(=O)Cc1cccc(F)c1 ZINC001287471367 1062919541 /nfs/dbraw/zinc/91/95/41/1062919541.db2.gz LBRZKIFPRWUVOF-UHFFFAOYSA-N 1 2 465.577 2.696 20 0 JFADLO CC(C)Cc1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001287497894 1062951319 /nfs/dbraw/zinc/95/13/19/1062951319.db2.gz GXOUVXUUKBDOKK-UHFFFAOYSA-N 1 2 460.648 2.924 20 0 JFADLO CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC[N@H+]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295145295 1062965054 /nfs/dbraw/zinc/96/50/54/1062965054.db2.gz BBFZBGGLOTVWKX-QUCCMNQESA-N 1 2 477.606 2.833 20 0 JFADLO CCN(c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC[N@@H+]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295145295 1062965077 /nfs/dbraw/zinc/96/50/77/1062965077.db2.gz BBFZBGGLOTVWKX-QUCCMNQESA-N 1 2 477.606 2.833 20 0 JFADLO CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[N@H+]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295145293 1062965204 /nfs/dbraw/zinc/96/52/04/1062965204.db2.gz BBFZBGGLOTVWKX-AZUAARDMSA-N 1 2 477.606 2.833 20 0 JFADLO CCN(c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC[N@@H+]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295145293 1062965233 /nfs/dbraw/zinc/96/52/33/1062965233.db2.gz BBFZBGGLOTVWKX-AZUAARDMSA-N 1 2 477.606 2.833 20 0 JFADLO CC(C)CC[C@@](C)(O)Cn1c(-c2ccccc2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001287534082 1062969591 /nfs/dbraw/zinc/96/95/91/1062969591.db2.gz XFAUHHQBFBOJDF-FQRUVTKNSA-N 1 2 468.646 2.921 20 0 JFADLO CC(C)NC(=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001291041884 1062970453 /nfs/dbraw/zinc/97/04/53/1062970453.db2.gz HOFGVJZIFGVDCG-KCZVDYSFSA-N 1 2 454.619 2.942 20 0 JFADLO CC(C)NC(=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001291041884 1062970480 /nfs/dbraw/zinc/97/04/80/1062970480.db2.gz HOFGVJZIFGVDCG-KCZVDYSFSA-N 1 2 454.619 2.942 20 0 JFADLO CC(C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001287606510 1063002860 /nfs/dbraw/zinc/00/28/60/1063002860.db2.gz QAAKVSSQTQXUMN-UHFFFAOYSA-N 1 2 478.439 2.826 20 0 JFADLO CCN(c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CC[NH+]1CCN(C(C)=O)CC1)C(C)C ZINC001295194667 1063014492 /nfs/dbraw/zinc/01/44/92/1063014492.db2.gz AZSASJLCSMQQKY-UHFFFAOYSA-N 1 2 494.644 2.635 20 0 JFADLO CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](c1cccs1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295206496 1063021928 /nfs/dbraw/zinc/02/19/28/1063021928.db2.gz OFIQAADKICPYNX-KZNAEPCWSA-N 1 2 467.661 2.550 20 0 JFADLO CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](c1cccs1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295206493 1063022022 /nfs/dbraw/zinc/02/20/22/1063022022.db2.gz OFIQAADKICPYNX-FGTMMUONSA-N 1 2 467.661 2.550 20 0 JFADLO CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1cccs1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295206494 1063022093 /nfs/dbraw/zinc/02/20/93/1063022093.db2.gz OFIQAADKICPYNX-KURKYZTESA-N 1 2 467.661 2.550 20 0 JFADLO C[C@H]1CCC[C@@]1(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001291077552 1063029935 /nfs/dbraw/zinc/02/99/35/1063029935.db2.gz CSAFCDRBMFOPHZ-GAJHUEQPSA-N 1 2 465.545 2.866 20 0 JFADLO C[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC001291093654 1063051614 /nfs/dbraw/zinc/05/16/14/1063051614.db2.gz BWBAZTXRXOKRSP-NJYVYQBISA-N 1 2 492.665 2.934 20 0 JFADLO CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)COCc2ccccc2)CC1 ZINC001287767400 1063091065 /nfs/dbraw/zinc/09/10/65/1063091065.db2.gz DSSGODFKQXIXKH-JTHBVZDNSA-N 1 2 489.686 2.811 20 0 JFADLO CC(C)C[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCCCS2(=O)=O)CC1 ZINC001287769046 1063095512 /nfs/dbraw/zinc/09/55/12/1063095512.db2.gz RGTBTYNIELDNTC-GOSISDBHSA-N 1 2 481.613 2.892 20 0 JFADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C)C2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001291110846 1063109658 /nfs/dbraw/zinc/10/96/58/1063109658.db2.gz LAWOKRXHCPVTTA-MOPGFXCFSA-N 1 2 475.663 2.948 20 0 JFADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCC(F)F)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001291146003 1063230294 /nfs/dbraw/zinc/23/02/94/1063230294.db2.gz UQYHNUKBRYAXFI-MRXNPFEDSA-N 1 2 485.605 2.659 20 0 JFADLO CCN(CC)C(=O)CN1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC001295335300 1063251206 /nfs/dbraw/zinc/25/12/06/1063251206.db2.gz SDPOOCJKIVETGQ-UHFFFAOYSA-N 1 2 482.677 2.610 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)SC)CC1 ZINC001295335617 1063253566 /nfs/dbraw/zinc/25/35/66/1063253566.db2.gz CZQVWDJWAALVIB-INIZCTEOSA-N 1 2 466.055 2.735 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)COC)CC1 ZINC001295336109 1063255580 /nfs/dbraw/zinc/25/55/80/1063255580.db2.gz LNHZVPKMXZBKHB-UHFFFAOYSA-N 1 2 460.598 2.747 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccn3C)n2CCc2cccc(F)c2)CC1 ZINC001295336125 1063255670 /nfs/dbraw/zinc/25/56/70/1063255670.db2.gz MCWRETUZKYHDDF-UHFFFAOYSA-N 1 2 467.593 2.656 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccn3)n2CCOc2cccc(C)c2)CC1 ZINC001295336340 1063257412 /nfs/dbraw/zinc/25/74/12/1063257412.db2.gz PBOZTHYISFFBRA-UHFFFAOYSA-N 1 2 477.613 2.718 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CCSCC(F)(F)F)CC1 ZINC001295338131 1063265624 /nfs/dbraw/zinc/26/56/24/1063265624.db2.gz LYCYFWWDQWSHAR-UHFFFAOYSA-N 1 2 499.607 2.934 20 0 JFADLO CC(C)C(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCO[C@H](C)C3)[nH+]c2)CC1 ZINC001291195639 1063334736 /nfs/dbraw/zinc/33/47/36/1063334736.db2.gz VSDGWRATCNEJMV-LJQANCHMSA-N 1 2 469.634 2.549 20 0 JFADLO COc1cccc(OCC[NH+]2CCN(C(=O)c3cc(N4C[C@H](C)O[C@@H](C)C4)ccn3)CC2)c1 ZINC001295384934 1063360324 /nfs/dbraw/zinc/36/03/24/1063360324.db2.gz RVUOXCFGGXTAJZ-PMACEKPBSA-N 1 2 454.571 2.541 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCNC(=O)CC2)c[nH+]1 ZINC001295410723 1063405231 /nfs/dbraw/zinc/40/52/31/1063405231.db2.gz NFBAGJKGPVVRSS-UHFFFAOYSA-N 1 2 487.406 2.652 20 0 JFADLO CCN(CC)c1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CC(=O)NC(C)(C)C)c[nH+]1 ZINC001295410852 1063405276 /nfs/dbraw/zinc/40/52/76/1063405276.db2.gz NLKSLKVTQYWTGV-UHFFFAOYSA-N 1 2 493.616 2.566 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3cccc(OC)c3)nnc2N2CCN(C)C(=O)[C@H]2C)c[nH+]1 ZINC001295412975 1063411227 /nfs/dbraw/zinc/41/12/27/1063411227.db2.gz JDHWXGCHPKDJOI-GOSISDBHSA-N 1 2 463.586 2.910 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCC(C(N)=O)CC2)c[nH+]1 ZINC001295413500 1063412173 /nfs/dbraw/zinc/41/21/73/1063412173.db2.gz PODQOXMOCFEFRZ-UHFFFAOYSA-N 1 2 493.612 2.954 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(OC)CC2)c[nH+]1 ZINC001295413970 1063414523 /nfs/dbraw/zinc/41/45/23/1063414523.db2.gz DJWXRGKNJIWXLP-CYFREDJKSA-N 1 2 455.607 2.914 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC(S(C)(=O)=O)CC2)c[nH+]1 ZINC001295413957 1063414653 /nfs/dbraw/zinc/41/46/53/1063414653.db2.gz CXWZCMWOMMBSIY-HXUWFJFHSA-N 1 2 476.647 2.823 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3cnccn3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)c[nH+]1 ZINC001295415860 1063420431 /nfs/dbraw/zinc/42/04/31/1063420431.db2.gz UDPWUACIGIBWLM-IBGZPJMESA-N 1 2 477.617 2.718 20 0 JFADLO CCN(CC)c1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(CNC(C)=O)CC2)c[nH+]1 ZINC001295418619 1063426138 /nfs/dbraw/zinc/42/61/38/1063426138.db2.gz IJAXEZHKWXDMAI-UHFFFAOYSA-N 1 2 493.660 2.782 20 0 JFADLO CCN(CC)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCOC(C)(C)[C@@H]2C)c[nH+]1 ZINC001295419049 1063427188 /nfs/dbraw/zinc/42/71/88/1063427188.db2.gz MEISSGHMNHUHLF-SFHVURJKSA-N 1 2 455.607 2.694 20 0 JFADLO CCN(CC)c1ccc(Cn2c(COc3cccc(C)c3)nnc2N2CC[C@@H](C(N)=O)C2)c[nH+]1 ZINC001295420023 1063431653 /nfs/dbraw/zinc/43/16/53/1063431653.db2.gz UNTNUINTRYHDGS-HXUWFJFHSA-N 1 2 463.586 2.767 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)C[C@H](C)C2)c[nH+]1 ZINC001295420726 1063434797 /nfs/dbraw/zinc/43/47/97/1063434797.db2.gz XKQPWIMBGLRVMU-CMKODMSKSA-N 1 2 460.648 2.952 20 0 JFADLO CCN(CC)c1ccc(Cn2c(Cc3ccncc3)nnc2N2CC[C@](C)(C(=O)NC)C2)c[nH+]1 ZINC001295420613 1063435066 /nfs/dbraw/zinc/43/50/66/1063435066.db2.gz UPBXHANTLWKFOZ-VWLOTQADSA-N 1 2 462.602 2.516 20 0 JFADLO CCN(CC)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(c3cnn(C)c3)C(=O)C2)c[nH+]1 ZINC001295420610 1063435091 /nfs/dbraw/zinc/43/50/91/1063435091.db2.gz ULUOUXSXGDOVRL-UHFFFAOYSA-N 1 2 479.633 2.743 20 0 JFADLO CCc1nc(C(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)nn1-c1c(Cl)cccc1Cl ZINC001295430539 1063440936 /nfs/dbraw/zinc/44/09/36/1063440936.db2.gz SUNQBJYSCRYMHR-HNNXBMFYSA-N 1 2 452.342 2.646 20 0 JFADLO C[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC(=O)N1C ZINC001291263887 1063562977 /nfs/dbraw/zinc/56/29/77/1063562977.db2.gz SMDAGPILGITCEB-OXQOHEQNSA-N 1 2 469.540 2.512 20 0 JFADLO CCN(Cc1c(F)cccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001295579514 1063621501 /nfs/dbraw/zinc/62/15/01/1063621501.db2.gz PZXFZOXPVTXRLR-KRWDZBQOSA-N 1 2 465.570 2.747 20 0 JFADLO CCN(Cc1c(F)cccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CC=CCC1 ZINC001295579514 1063621507 /nfs/dbraw/zinc/62/15/07/1063621507.db2.gz PZXFZOXPVTXRLR-KRWDZBQOSA-N 1 2 465.570 2.747 20 0 JFADLO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(CC2CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001295583975 1063628885 /nfs/dbraw/zinc/62/88/85/1063628885.db2.gz KDUXHJHBPFWHJQ-IBGZPJMESA-N 1 2 454.619 2.680 20 0 JFADLO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(CC2CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001295583975 1063628890 /nfs/dbraw/zinc/62/88/90/1063628890.db2.gz KDUXHJHBPFWHJQ-IBGZPJMESA-N 1 2 454.619 2.680 20 0 JFADLO CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001295599636 1063644841 /nfs/dbraw/zinc/64/48/41/1063644841.db2.gz ZPHWGZSCBBKASC-UHFFFAOYSA-N 1 2 465.577 2.594 20 0 JFADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccccc2Cl)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291289842 1063659383 /nfs/dbraw/zinc/65/93/83/1063659383.db2.gz QVPGWTLESLUYHU-KZNAEPCWSA-N 1 2 484.066 2.967 20 0 JFADLO CCN(Cc1ccccc1)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001295610516 1063661407 /nfs/dbraw/zinc/66/14/07/1063661407.db2.gz YQVJVRDOHDSPTJ-SANMLTNESA-N 1 2 484.645 2.509 20 0 JFADLO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291293224 1063683785 /nfs/dbraw/zinc/68/37/85/1063683785.db2.gz QXYZGZLSKPOOIB-NCXUSEDFSA-N 1 2 483.704 2.688 20 0 JFADLO CCN(CC1CC1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001295694271 1063723376 /nfs/dbraw/zinc/72/33/76/1063723376.db2.gz QHUYLRAXSXYIAK-AZUAARDMSA-N 1 2 478.638 2.544 20 0 JFADLO CCN(CC1CC1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001295694271 1063723383 /nfs/dbraw/zinc/72/33/83/1063723383.db2.gz QHUYLRAXSXYIAK-AZUAARDMSA-N 1 2 478.638 2.544 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001291308558 1063729507 /nfs/dbraw/zinc/72/95/07/1063729507.db2.gz PFZSGMLPOBFXHV-KDOFPFPSSA-N 1 2 484.498 2.744 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001291308558 1063729512 /nfs/dbraw/zinc/72/95/12/1063729512.db2.gz PFZSGMLPOBFXHV-KDOFPFPSSA-N 1 2 484.498 2.744 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(Cc2ccccn2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 ZINC001291308580 1063730280 /nfs/dbraw/zinc/73/02/80/1063730280.db2.gz PMKRNFSRUGSXOY-SFHVURJKSA-N 1 2 484.004 2.713 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(Cc2ccccn2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 ZINC001291308580 1063730288 /nfs/dbraw/zinc/73/02/88/1063730288.db2.gz PMKRNFSRUGSXOY-SFHVURJKSA-N 1 2 484.004 2.713 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001291308560 1063730313 /nfs/dbraw/zinc/73/03/13/1063730313.db2.gz PFZSGMLPOBFXHV-RDTXWAMCSA-N 1 2 484.498 2.744 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001291308560 1063730323 /nfs/dbraw/zinc/73/03/23/1063730323.db2.gz PFZSGMLPOBFXHV-RDTXWAMCSA-N 1 2 484.498 2.744 20 0 JFADLO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CC2CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001291309283 1063734116 /nfs/dbraw/zinc/73/41/16/1063734116.db2.gz CQDLHJCUOALNMW-PMACEKPBSA-N 1 2 454.619 2.607 20 0 JFADLO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CC2CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001291309283 1063734127 /nfs/dbraw/zinc/73/41/27/1063734127.db2.gz CQDLHJCUOALNMW-PMACEKPBSA-N 1 2 454.619 2.607 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(CCc2ccccc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001291309630 1063735141 /nfs/dbraw/zinc/73/51/41/1063735141.db2.gz KRWMBKMGHLPUQG-PKOBYXMFSA-N 1 2 453.509 2.552 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(CCc2ccccc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001291309630 1063735150 /nfs/dbraw/zinc/73/51/50/1063735150.db2.gz KRWMBKMGHLPUQG-PKOBYXMFSA-N 1 2 453.509 2.552 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001291309644 1063735268 /nfs/dbraw/zinc/73/52/68/1063735268.db2.gz KVQIUNUFHFPUMN-IPMKNSEASA-N 1 2 488.599 2.602 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001291309644 1063735276 /nfs/dbraw/zinc/73/52/76/1063735276.db2.gz KVQIUNUFHFPUMN-IPMKNSEASA-N 1 2 488.599 2.602 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(N2CCCN(C(=O)c3ccccc3)CC2)nnc1C(C)(C)C ZINC001291310019 1063737981 /nfs/dbraw/zinc/73/79/81/1063737981.db2.gz ROALQWYSQAWVIV-FQEVSTJZSA-N 1 2 454.619 2.649 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(N2CCCN(C(=O)c3ccccc3)CC2)nnc1C(C)(C)C ZINC001291310019 1063737991 /nfs/dbraw/zinc/73/79/91/1063737991.db2.gz ROALQWYSQAWVIV-FQEVSTJZSA-N 1 2 454.619 2.649 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001291310196 1063739514 /nfs/dbraw/zinc/73/95/14/1063739514.db2.gz WBAMGXTUURVPJK-JKSUJKDBSA-N 1 2 497.427 2.586 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001291310196 1063739526 /nfs/dbraw/zinc/73/95/26/1063739526.db2.gz WBAMGXTUURVPJK-JKSUJKDBSA-N 1 2 497.427 2.586 20 0 JFADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)C[C@@H]1C ZINC001295741237 1063749122 /nfs/dbraw/zinc/74/91/22/1063749122.db2.gz YJBZQDGXGFDLMX-SFHVURJKSA-N 1 2 459.568 2.505 20 0 JFADLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)C[C@@H]1C ZINC001295741237 1063749132 /nfs/dbraw/zinc/74/91/32/1063749132.db2.gz YJBZQDGXGFDLMX-SFHVURJKSA-N 1 2 459.568 2.505 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc([C@H]2CCCO2)n1CCCS(C)(=O)=O ZINC001295747487 1063752636 /nfs/dbraw/zinc/75/26/36/1063752636.db2.gz DGLDKOMMKORKPG-HXUWFJFHSA-N 1 2 476.647 2.702 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(CC(C)(C)C)n1CCS(=O)(=O)N(C)C ZINC001295748582 1063754625 /nfs/dbraw/zinc/75/46/25/1063754625.db2.gz MNZKKDJDNGDZMN-UHFFFAOYSA-N 1 2 491.706 2.896 20 0 JFADLO CCN(C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c[nH+]ccc2OC)C1)CC(F)(F)F ZINC001295749562 1063756367 /nfs/dbraw/zinc/75/63/67/1063756367.db2.gz SGARTKUKLHELSS-INIZCTEOSA-N 1 2 483.539 2.579 20 0 JFADLO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)CC)n2Cc2ccc[nH+]c2N2CCOCC2)C1 ZINC001291334629 1063792411 /nfs/dbraw/zinc/79/24/11/1063792411.db2.gz BYAZBCWMJPUZSA-AZUAARDMSA-N 1 2 455.607 2.567 20 0 JFADLO CCC(=O)N[C@@H]1CCCN(c2nnc(CCCc3ccccc3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001291346467 1063845053 /nfs/dbraw/zinc/84/50/53/1063845053.db2.gz SATNMDCXINWKAO-FYYLOGMGSA-N 1 2 468.646 2.669 20 0 JFADLO CCC(=O)N[C@H]1CCCN(c2nnc(COc3ccccc3OC)n2Cc2c[nH+]ccc2OC)C1 ZINC001291347833 1063851145 /nfs/dbraw/zinc/85/11/45/1063851145.db2.gz VHEOBRDRXQDERY-IBGZPJMESA-N 1 2 480.569 2.813 20 0 JFADLO CC[C@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001291358400 1063865409 /nfs/dbraw/zinc/86/54/09/1063865409.db2.gz KXWWIZVDHYIRKM-VWLOTQADSA-N 1 2 478.601 2.733 20 0 JFADLO CC[C@@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001291372353 1063900221 /nfs/dbraw/zinc/90/02/21/1063900221.db2.gz ZQOQBTCQWFUBPS-NTKDMRAZSA-N 1 2 457.623 2.882 20 0 JFADLO CC[C@@H](C)[C@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001291396724 1063952233 /nfs/dbraw/zinc/95/22/33/1063952233.db2.gz BBPYNIREYMRYMX-MZNJEOGPSA-N 1 2 469.638 2.667 20 0 JFADLO CC[C@H](C)[C@@](C)(O)Cn1c(Cc2ccsc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001291402282 1063965115 /nfs/dbraw/zinc/96/51/15/1063965115.db2.gz VTNGYOVYDVDLCQ-RLSLOFABSA-N 1 2 488.702 2.860 20 0 JFADLO CC[C@@H](C)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1)OC ZINC001291410113 1063985294 /nfs/dbraw/zinc/98/52/94/1063985294.db2.gz SVTTXVGZMOIKRL-OFNKIYASSA-N 1 2 484.645 2.759 20 0 JFADLO CC[C@@H](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2[nH+]cnc3c2cnn3C)CC1)OC ZINC001291420575 1064001837 /nfs/dbraw/zinc/00/18/37/1064001837.db2.gz ZAXSZTHVZZMEOM-MJGOQNOKSA-N 1 2 469.638 2.931 20 0 JFADLO CC[C@H](C)[C@@H](Cn1c(N2CCN(c3cc[nH+]c(C)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1)OC ZINC001291426209 1064009466 /nfs/dbraw/zinc/00/94/66/1064009466.db2.gz VUCRHWDRILPMBA-PIBDYAPNSA-N 1 2 487.649 2.805 20 0 JFADLO CC[C@@H](C)c1nnc(N(C)CC(=O)NC(C)(C)C)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001291436228 1064017063 /nfs/dbraw/zinc/01/70/63/1064017063.db2.gz QOSJCAGAHUWGIX-QZTJIDSGSA-N 1 2 457.623 2.811 20 0 JFADLO CC[C@@H](C)c1nnc(N(C)CC[NH+]2CCOCC2)n1CCCn1cc(Br)cn1 ZINC001291457316 1064023956 /nfs/dbraw/zinc/02/39/56/1064023956.db2.gz JEZHAQGTTDONQI-MRXNPFEDSA-N 1 2 454.417 2.609 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCS(C)(=O)=O)C[C@@H]1C ZINC001295980665 1064031078 /nfs/dbraw/zinc/03/10/78/1064031078.db2.gz PHBCZFBVUCMGKH-OKZBNKHCSA-N 1 2 467.611 2.911 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCS(C)(=O)=O)C[C@@H]1C ZINC001295980665 1064031082 /nfs/dbraw/zinc/03/10/82/1064031082.db2.gz PHBCZFBVUCMGKH-OKZBNKHCSA-N 1 2 467.611 2.911 20 0 JFADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C ZINC001295984329 1064041888 /nfs/dbraw/zinc/04/18/88/1064041888.db2.gz GDJOIVVRCMBFSV-SFHVURJKSA-N 1 2 450.326 2.962 20 0 JFADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C ZINC001295984329 1064041895 /nfs/dbraw/zinc/04/18/95/1064041895.db2.gz GDJOIVVRCMBFSV-SFHVURJKSA-N 1 2 450.326 2.962 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)c2ccc(F)cc2)C[C@@H]1C ZINC001295994872 1064050677 /nfs/dbraw/zinc/05/06/77/1064050677.db2.gz HLRCYHZJOXOAHP-MHYXUVESSA-N 1 2 479.622 2.626 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)c2ccc(F)cc2)C[C@@H]1C ZINC001295994872 1064050684 /nfs/dbraw/zinc/05/06/84/1064050684.db2.gz HLRCYHZJOXOAHP-MHYXUVESSA-N 1 2 479.622 2.626 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2ccc(OC)cc2)C[C@H]1C ZINC001295997491 1064053723 /nfs/dbraw/zinc/05/37/23/1064053723.db2.gz QXGNNLSCIIOHJD-SVFBPWRDSA-N 1 2 475.659 2.741 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2ccc(OC)cc2)C[C@H]1C ZINC001295997491 1064053732 /nfs/dbraw/zinc/05/37/32/1064053732.db2.gz QXGNNLSCIIOHJD-SVFBPWRDSA-N 1 2 475.659 2.741 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001291503943 1064055483 /nfs/dbraw/zinc/05/54/83/1064055483.db2.gz HXTURMHXTDODJI-KRWDZBQOSA-N 1 2 489.621 2.930 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC[C@H](C(=O)OC)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001291530756 1064077153 /nfs/dbraw/zinc/07/71/53/1064077153.db2.gz SLOMLOIRSJGOJK-NSHGMRRFSA-N 1 2 456.591 2.849 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCCCS2(=O)=O)C[C@@H]1C ZINC001296015299 1064077662 /nfs/dbraw/zinc/07/76/62/1064077662.db2.gz RQVYMNFJESYGQL-UFYCRDLUSA-N 1 2 491.658 2.752 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCCCS2(=O)=O)C[C@@H]1C ZINC001296015299 1064077669 /nfs/dbraw/zinc/07/76/69/1064077669.db2.gz RQVYMNFJESYGQL-UFYCRDLUSA-N 1 2 491.658 2.752 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001291541941 1064084698 /nfs/dbraw/zinc/08/46/98/1064084698.db2.gz LCPBEQOQJBMHRI-CTNGQTDRSA-N 1 2 469.634 2.813 20 0 JFADLO CC[C@H](C)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001291560863 1064092798 /nfs/dbraw/zinc/09/27/98/1064092798.db2.gz SOMKBWOLHNOSNC-UFYCRDLUSA-N 1 2 455.669 2.552 20 0 JFADLO CC[C@H](C)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001291560863 1064092809 /nfs/dbraw/zinc/09/28/09/1064092809.db2.gz SOMKBWOLHNOSNC-UFYCRDLUSA-N 1 2 455.669 2.552 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)n1CC[S@](=O)C(C)(C)C ZINC001291568989 1064096199 /nfs/dbraw/zinc/09/61/99/1064096199.db2.gz OMHUNYYSDQZXLL-GTJUCTONSA-N 1 2 468.712 2.719 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1CC[S@](=O)C(C)(C)C ZINC001291568989 1064096205 /nfs/dbraw/zinc/09/62/05/1064096205.db2.gz OMHUNYYSDQZXLL-GTJUCTONSA-N 1 2 468.712 2.719 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001291593697 1064129527 /nfs/dbraw/zinc/12/95/27/1064129527.db2.gz RUOSYJNMSALRSH-IPMKNSEASA-N 1 2 455.607 2.517 20 0 JFADLO CC[C@H](C)C(=O)Nc1cccc(CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC001291594965 1064130780 /nfs/dbraw/zinc/13/07/80/1064130780.db2.gz CEHJKEFRJDRTFV-IBGZPJMESA-N 1 2 451.571 2.811 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001291596095 1064131731 /nfs/dbraw/zinc/13/17/31/1064131731.db2.gz NUXNBELARNXCHU-MZKRTTBSSA-N 1 2 454.619 2.750 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001291596095 1064131735 /nfs/dbraw/zinc/13/17/35/1064131735.db2.gz NUXNBELARNXCHU-MZKRTTBSSA-N 1 2 454.619 2.750 20 0 JFADLO CC[C@@H](C)[C@@H](Cn1c([C@@H](C)CC)nnc1N1CCN(c2[nH+]cnc3c2cnn3C)CC1)OC ZINC001291602957 1064138848 /nfs/dbraw/zinc/13/88/48/1064138848.db2.gz PSDZRXPOVYBDSH-ZIFCJYIRSA-N 1 2 455.611 2.856 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1Cc1ccc(OC)nc1OC ZINC001291615024 1064152260 /nfs/dbraw/zinc/15/22/60/1064152260.db2.gz POKNSWHZOFCVLV-INIZCTEOSA-N 1 2 452.563 2.677 20 0 JFADLO CC[C@H](C)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1CCNS(=O)(=O)CC ZINC001291630116 1064174892 /nfs/dbraw/zinc/17/48/92/1064174892.db2.gz RCNAXWGCBMXPOB-KRWDZBQOSA-N 1 2 469.055 2.707 20 0 JFADLO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1Cc1ccc(NC(C)=O)nc1 ZINC001291631316 1064178240 /nfs/dbraw/zinc/17/82/40/1064178240.db2.gz XBAOMQLKKMMADA-MRXNPFEDSA-N 1 2 452.563 2.812 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001291632152 1064180672 /nfs/dbraw/zinc/18/06/72/1064180672.db2.gz SDYAJCFYDLMTRO-IAGOWNOFSA-N 1 2 481.571 2.977 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001291632152 1064180676 /nfs/dbraw/zinc/18/06/76/1064180676.db2.gz SDYAJCFYDLMTRO-IAGOWNOFSA-N 1 2 481.571 2.977 20 0 JFADLO CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CC1(C)CCOCC1 ZINC001291640261 1064188460 /nfs/dbraw/zinc/18/84/60/1064188460.db2.gz QSCDNXQVLADJOF-FCHUYYIVSA-N 1 2 462.683 2.840 20 0 JFADLO CC[C@H](C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CC1(C)CCOCC1 ZINC001291640264 1064188498 /nfs/dbraw/zinc/18/84/98/1064188498.db2.gz QSCDNXQVLADJOF-VXKWHMMOSA-N 1 2 462.683 2.840 20 0 JFADLO COc1cccc([C@H](O)C(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)c1 ZINC001291655219 1064207086 /nfs/dbraw/zinc/20/70/86/1064207086.db2.gz ZUPRKJGUGXATOT-DEOSSOPVSA-N 1 2 450.514 2.906 20 0 JFADLO CC[C@H](C)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001291715731 1064225253 /nfs/dbraw/zinc/22/52/53/1064225253.db2.gz ARJBGGLRASJNPJ-VXKWHMMOSA-N 1 2 488.702 2.875 20 0 JFADLO CC[C@@H](C)CN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291727538 1064229614 /nfs/dbraw/zinc/22/96/14/1064229614.db2.gz ZMGXRGHSHNRHET-LJQANCHMSA-N 1 2 451.619 2.997 20 0 JFADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296132929 1064232264 /nfs/dbraw/zinc/23/22/64/1064232264.db2.gz FABSAUUGUYIILX-VSKRKVRLSA-N 1 2 456.635 2.805 20 0 JFADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001296132931 1064232284 /nfs/dbraw/zinc/23/22/84/1064232284.db2.gz FABSAUUGUYIILX-YPAWHYETSA-N 1 2 456.635 2.805 20 0 JFADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CCO[C@](C)(CC)C2)CC1 ZINC001296134836 1064237645 /nfs/dbraw/zinc/23/76/45/1064237645.db2.gz RBRVIKUABMAZCE-QFQXNSOFSA-N 1 2 486.661 2.897 20 0 JFADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001296135206 1064238830 /nfs/dbraw/zinc/23/88/30/1064238830.db2.gz XFPJHMAXPBXRBQ-NRFANRHFSA-N 1 2 484.645 2.581 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1C ZINC001296154402 1064264975 /nfs/dbraw/zinc/26/49/75/1064264975.db2.gz NEWQDZQQDBLSMC-IRXDYDNUSA-N 1 2 452.024 2.954 20 0 JFADLO CC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@@H]1C ZINC001296154402 1064264986 /nfs/dbraw/zinc/26/49/86/1064264986.db2.gz NEWQDZQQDBLSMC-IRXDYDNUSA-N 1 2 452.024 2.954 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(-c3cccn3C)n2CCCS(=O)(=O)c2ccccc2)C[C@H]1C ZINC001296155713 1064267599 /nfs/dbraw/zinc/26/75/99/1064267599.db2.gz VHMRVTSXUVZXHE-LJQANCHMSA-N 1 2 456.616 2.678 20 0 JFADLO CC[N@H+]1CCN(c2nnc(-c3cccn3C)n2CCCS(=O)(=O)c2ccccc2)C[C@H]1C ZINC001296155713 1064267605 /nfs/dbraw/zinc/26/76/05/1064267605.db2.gz VHMRVTSXUVZXHE-LJQANCHMSA-N 1 2 456.616 2.678 20 0 JFADLO CC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2SC)C[C@H]1C ZINC001296163510 1064278129 /nfs/dbraw/zinc/27/81/29/1064278129.db2.gz XNXHBHTUAJNREJ-MJGOQNOKSA-N 1 2 463.673 2.789 20 0 JFADLO CC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2SC)C[C@H]1C ZINC001296163510 1064278134 /nfs/dbraw/zinc/27/81/34/1064278134.db2.gz XNXHBHTUAJNREJ-MJGOQNOKSA-N 1 2 463.673 2.789 20 0 JFADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccccc2C(C)C)C[C@@H]1C ZINC001296163707 1064278998 /nfs/dbraw/zinc/27/89/98/1064278998.db2.gz YEVSMHNOYJFDQR-VQTJNVASSA-N 1 2 475.659 2.913 20 0 JFADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccccc2C(C)C)C[C@@H]1C ZINC001296163707 1064279003 /nfs/dbraw/zinc/27/90/03/1064279003.db2.gz YEVSMHNOYJFDQR-VQTJNVASSA-N 1 2 475.659 2.913 20 0 JFADLO CC[C@H](C)NC(=O)c1cccc(Cn2c(-c3cccc(C)n3)nnc2N(C)CC[NH+]2CCOCC2)c1 ZINC001291791070 1064287144 /nfs/dbraw/zinc/28/71/44/1064287144.db2.gz FCUTUXQYGNCGAQ-FQEVSTJZSA-N 1 2 491.640 2.994 20 0 JFADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3Cc3cccc(Cl)c3C)C2)CC1 ZINC001296173047 1064294850 /nfs/dbraw/zinc/29/48/50/1064294850.db2.gz ASLNVXWWKRHLBK-FQEVSTJZSA-N 1 2 474.053 2.643 20 0 JFADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCc3ccccc3Cl)C2)CC1 ZINC001296173411 1064296308 /nfs/dbraw/zinc/29/63/08/1064296308.db2.gz FWOPPITWCALJAM-FQEVSTJZSA-N 1 2 474.053 2.529 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1C ZINC001296173567 1064297150 /nfs/dbraw/zinc/29/71/50/1064297150.db2.gz JUXITHGNRLMRAR-ROUUACIJSA-N 1 2 479.672 2.544 20 0 JFADLO CC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1C ZINC001296173567 1064297162 /nfs/dbraw/zinc/29/71/62/1064297162.db2.gz JUXITHGNRLMRAR-ROUUACIJSA-N 1 2 479.672 2.544 20 0 JFADLO CC[C@@H](C)NC(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001291796015 1064302258 /nfs/dbraw/zinc/30/22/58/1064302258.db2.gz IRIXMCWVNVZAKG-GGAORHGYSA-N 1 2 497.688 2.863 20 0 JFADLO Cc1cc(Br)cn2cc(CCNC(=O)CSCC(=O)N3CCCCC3)[nH+]c12 ZINC001296200312 1064375086 /nfs/dbraw/zinc/37/50/86/1064375086.db2.gz QRDQEFMKFAWZMH-UHFFFAOYSA-N 1 2 453.406 2.810 20 0 JFADLO CCn1nc(-c2nnc(N(C)CCC(=O)NC)n2CCCc2cccc(C)[nH+]2)c2ccccc2c1=O ZINC001296214734 1064414424 /nfs/dbraw/zinc/41/44/24/1064414424.db2.gz QLEWJSSPOASPBG-UHFFFAOYSA-N 1 2 488.596 2.583 20 0 JFADLO CC[C@H](c1nnc(N(C)CC[NH+]2CCOCC2)n1CC1CCN(C(C)=O)CC1)c1ccccc1 ZINC001291850300 1064455834 /nfs/dbraw/zinc/45/58/34/1064455834.db2.gz FGOHATAKSUCSMG-DEOSSOPVSA-N 1 2 468.646 2.847 20 0 JFADLO CC[C@@H](c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1ccc(NC(C)=O)nc1)c1ccccc1 ZINC001291852588 1064459782 /nfs/dbraw/zinc/45/97/82/1064459782.db2.gz ONVZYMUONBSDOD-HSZRJFAPSA-N 1 2 477.613 2.990 20 0 JFADLO CC[C@H](c1nnc(N(C)CC[NH+]2CCOCC2)n1CCNC(=O)C(C)(C)C)c1ccccc1 ZINC001291852626 1064460609 /nfs/dbraw/zinc/46/06/09/1064460609.db2.gz PAZLISMEMYPVMC-NRFANRHFSA-N 1 2 456.635 2.751 20 0 JFADLO CC[C@@H](c1nnc(N2CCC(CNC(C)=O)CC2)n1C[C@@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC001291870416 1064482895 /nfs/dbraw/zinc/48/28/95/1064482895.db2.gz VFRZKFVNASPIGI-HYBUGGRVSA-N 1 2 468.646 2.893 20 0 JFADLO CC[C@@H](c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1CCC(=O)NC)c1ccccc1 ZINC001291892808 1064520570 /nfs/dbraw/zinc/52/05/70/1064520570.db2.gz ITASTHVDIOZKLZ-OAQYLSRUSA-N 1 2 451.575 2.575 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N(C)Cc2c(C)noc2C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001291995671 1064611963 /nfs/dbraw/zinc/61/19/63/1064611963.db2.gz GDOAPSKKGNCPNG-UHFFFAOYSA-N 1 2 461.611 2.549 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N(C)Cc2c(C)noc2C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001291995671 1064611973 /nfs/dbraw/zinc/61/19/73/1064611973.db2.gz GDOAPSKKGNCPNG-UHFFFAOYSA-N 1 2 461.611 2.549 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N(C)Cc2ncc(Cl)n2C)n1Cc1c[nH+]ccc1OC ZINC001292002277 1064620303 /nfs/dbraw/zinc/62/03/03/1064620303.db2.gz KUVDRUFZUKEWIM-UHFFFAOYSA-N 1 2 460.970 2.672 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1CCc1cn2ccccc2[nH+]1 ZINC001292091827 1064779015 /nfs/dbraw/zinc/77/90/15/1064779015.db2.gz VVBUBNLLKQWVDC-FQEVSTJZSA-N 1 2 494.644 2.828 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CCCc1cccc(C)[nH+]1 ZINC001292092196 1064779794 /nfs/dbraw/zinc/77/97/94/1064779794.db2.gz NSWWIRVLEZSXOD-FQEVSTJZSA-N 1 2 476.647 2.546 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CCCc1cccc(C)[nH+]1 ZINC001292092198 1064779827 /nfs/dbraw/zinc/77/98/27/1064779827.db2.gz NSWWIRVLEZSXOD-HXUWFJFHSA-N 1 2 476.647 2.546 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@](C)(O)[C@@H](C)CC ZINC001292116233 1064836876 /nfs/dbraw/zinc/83/68/76/1064836876.db2.gz PFFNGJNMHBSQMX-UUOWRZLLSA-N 1 2 457.623 2.715 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCN(C)c3ccccc3C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001292117357 1064843725 /nfs/dbraw/zinc/84/37/25/1064843725.db2.gz LEBVHHGREZMZKC-UHFFFAOYSA-N 1 2 483.661 2.764 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1C[C@@H]1CCCO1 ZINC001292121835 1064853744 /nfs/dbraw/zinc/85/37/44/1064853744.db2.gz HJRBKEXVHRHTOH-FQEVSTJZSA-N 1 2 484.649 2.924 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001292135126 1064898584 /nfs/dbraw/zinc/89/85/84/1064898584.db2.gz DJXSHFVMILRQQA-HKUYNNGSSA-N 1 2 499.664 2.701 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001292135126 1064898598 /nfs/dbraw/zinc/89/85/98/1064898598.db2.gz DJXSHFVMILRQQA-HKUYNNGSSA-N 1 2 499.664 2.701 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccco3)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001292135917 1064902608 /nfs/dbraw/zinc/90/26/08/1064902608.db2.gz DSITVWKMRZSKAY-RBBKRZOGSA-N 1 2 488.633 2.724 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCOC(C)(C)[C@H]2C)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001292138246 1064906193 /nfs/dbraw/zinc/90/61/93/1064906193.db2.gz XSMXLENAIXPFFH-RTBURBONSA-N 1 2 499.660 2.869 20 0 JFADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC001292142876 1064910792 /nfs/dbraw/zinc/91/07/92/1064910792.db2.gz VPWZYIMYRZSKGO-HXUWFJFHSA-N 1 2 455.530 2.596 20 0 JFADLO CC(C)c1n[nH]c(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)c1Br ZINC001292182518 1064972734 /nfs/dbraw/zinc/97/27/34/1064972734.db2.gz DYCGCFIXUWLQDR-UHFFFAOYSA-N 1 2 451.365 2.937 20 0 JFADLO CC[C@@H](Cn1c(-c2cnccn2)nnc1N(C)C[C@H](c1cccs1)[NH+]1CCOCC1)OC ZINC001292207802 1064995857 /nfs/dbraw/zinc/99/58/57/1064995857.db2.gz LPVILYCSPJQLLQ-PKOBYXMFSA-N 1 2 457.604 2.731 20 0 JFADLO CC[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)OC ZINC001292230836 1065018014 /nfs/dbraw/zinc/01/80/14/1065018014.db2.gz PKMGNEAHVGKZPM-QGZVFWFLSA-N 1 2 457.529 2.997 20 0 JFADLO CCC(O)(CC)Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001292273416 1065051296 /nfs/dbraw/zinc/05/12/96/1065051296.db2.gz JLGKIKQIZKBFAU-IBGZPJMESA-N 1 2 458.607 2.531 20 0 JFADLO CCc1ccc(-c2nnc(N3CC[NH+]([C@H](C)C(=O)N4CCCC4)CC3)n2C[C@](C)(O)CC)cc1 ZINC001292518174 1065240881 /nfs/dbraw/zinc/24/08/81/1065240881.db2.gz LYKUATHNTHHCQE-FQRUVTKNSA-N 1 2 468.646 2.801 20 0 JFADLO CCc1ccc(Cn2c(N(C)CC[NH+]3CCOCC3)nnc2[C@@]2(OC(C)C)CCOC2)s1 ZINC001292559632 1065274446 /nfs/dbraw/zinc/27/44/46/1065274446.db2.gz KHWZTMNFPDHFGL-HSZRJFAPSA-N 1 2 463.648 2.759 20 0 JFADLO CCc1ccccc1NC(=O)CN1CCN(c2nnc([C@@H](C)CC)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001292579481 1065294384 /nfs/dbraw/zinc/29/43/84/1065294384.db2.gz SDBMNQIXQAHSOK-FCHUYYIVSA-N 1 2 497.688 2.835 20 0 JFADLO CCc1ccccc1NC(=O)CN1CCN(c2nnc([C@@H](C)CC)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001292579481 1065294392 /nfs/dbraw/zinc/29/43/92/1065294392.db2.gz SDBMNQIXQAHSOK-FCHUYYIVSA-N 1 2 497.688 2.835 20 0 JFADLO CCc1nc(C)c(Cn2c(C(=O)NC(CC)CC)nnc2N2CCN(c3cc[nH+]c(C)n3)CC2)o1 ZINC001292681722 1065423227 /nfs/dbraw/zinc/42/32/27/1065423227.db2.gz WRJJJQOMCAGWDI-UHFFFAOYSA-N 1 2 481.605 2.529 20 0 JFADLO CCc1nc(CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(N(C)C)[nH+]c2)cs1 ZINC001292720098 1065480082 /nfs/dbraw/zinc/48/00/82/1065480082.db2.gz DGPHYAXEISGUMI-UHFFFAOYSA-N 1 2 454.604 2.679 20 0 JFADLO CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N2CC[NH+](Cc3ccccc3OC)CC2)C1 ZINC001292770424 1065527004 /nfs/dbraw/zinc/52/70/04/1065527004.db2.gz HOWKCCMZARAECZ-QFIPXVFZSA-N 1 2 450.539 2.537 20 0 JFADLO Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)c1C ZINC001292831575 1065569948 /nfs/dbraw/zinc/56/99/48/1065569948.db2.gz UOEBDCATJOTCFO-VQTJNVASSA-N 1 2 457.600 2.640 20 0 JFADLO Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)c1C ZINC001292831575 1065569959 /nfs/dbraw/zinc/56/99/59/1065569959.db2.gz UOEBDCATJOTCFO-VQTJNVASSA-N 1 2 457.600 2.640 20 0 JFADLO CCc1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001292834411 1065570902 /nfs/dbraw/zinc/57/09/02/1065570902.db2.gz VQRYXQGBAUCGNH-SFHVURJKSA-N 1 2 484.626 2.549 20 0 JFADLO CCc1nnc(N(C)Cc2ccc(OC)c(O)c2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001292834603 1065571263 /nfs/dbraw/zinc/57/12/63/1065571263.db2.gz ZITHAPYVOAJJNR-QGZVFWFLSA-N 1 2 452.559 2.860 20 0 JFADLO CCc1nnc(N2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001292891965 1065588461 /nfs/dbraw/zinc/58/84/61/1065588461.db2.gz BZAVORXYXSUHHH-FPOVZHCZSA-N 1 2 469.634 2.642 20 0 JFADLO CCc1nnc(N2C[C@H](C(=O)NCCOC)CC[C@H]2C)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001292892478 1065590392 /nfs/dbraw/zinc/59/03/92/1065590392.db2.gz HYBVWSHREPLJQE-DENIHFKCSA-N 1 2 465.602 2.501 20 0 JFADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)CCc3nnc(-c4ccc(Cl)cc4)o3)CC2)cc1 ZINC001292941163 1065626196 /nfs/dbraw/zinc/62/61/96/1065626196.db2.gz APAKJYQOJIDAFO-UHFFFAOYSA-N 1 2 453.930 2.766 20 0 JFADLO CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001292985237 1065669613 /nfs/dbraw/zinc/66/96/13/1065669613.db2.gz GFVQTOSEYVVSMS-LJQANCHMSA-N 1 2 452.640 2.815 20 0 JFADLO CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001292985237 1065669621 /nfs/dbraw/zinc/66/96/21/1065669621.db2.gz GFVQTOSEYVVSMS-LJQANCHMSA-N 1 2 452.640 2.815 20 0 JFADLO CCc1nnc(N2CCC(OCCOC)CC2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001292995863 1065684134 /nfs/dbraw/zinc/68/41/34/1065684134.db2.gz YOGLJVDWGLWPMQ-QHCPKHFHSA-N 1 2 457.619 2.854 20 0 JFADLO CCc1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1Cc1cc(OC)c(OC)c(OC)c1 ZINC001293005082 1065689261 /nfs/dbraw/zinc/68/92/61/1065689261.db2.gz XOQQUUKDAOEGPK-UHFFFAOYSA-N 1 2 452.559 2.938 20 0 JFADLO CCc1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001293089637 1065738507 /nfs/dbraw/zinc/73/85/07/1065738507.db2.gz NATBYSBPKPMTSG-OAQYLSRUSA-N 1 2 470.618 2.799 20 0 JFADLO CCc1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001293089637 1065738517 /nfs/dbraw/zinc/73/85/17/1065738517.db2.gz NATBYSBPKPMTSG-OAQYLSRUSA-N 1 2 470.618 2.799 20 0 JFADLO CCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCO[C@@H]1CCCC[C@@H]1C ZINC001293131359 1065783525 /nfs/dbraw/zinc/78/35/25/1065783525.db2.gz OUVHJXNXJBFMGU-YTFSRNRJSA-N 1 2 462.683 2.667 20 0 JFADLO CCc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCc1cc(F)cc(F)c1 ZINC001293131243 1065783561 /nfs/dbraw/zinc/78/35/61/1065783561.db2.gz NEKUPRDGODHMLK-QFIPXVFZSA-N 1 2 462.589 2.593 20 0 JFADLO CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)CCC2)C1 ZINC001293224286 1065878310 /nfs/dbraw/zinc/87/83/10/1065878310.db2.gz ZTJSOXPUWMKLPK-YRNVUSSQSA-N 1 2 455.599 2.996 20 0 JFADLO CC[C@@H]1[C@H](C)CCN1c1nnc([C@H](C)OCCOC)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001293260509 1065923926 /nfs/dbraw/zinc/92/39/26/1065923926.db2.gz YOJYLXLTSNNVTI-VLVHOKLOSA-N 1 2 467.680 2.835 20 0 JFADLO CC[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001293400260 1065994438 /nfs/dbraw/zinc/99/44/38/1065994438.db2.gz JBJOLFZPRZQHOO-JOCHJYFZSA-N 1 2 454.619 2.690 20 0 JFADLO CC[C@@H]1CCCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001293445298 1066009260 /nfs/dbraw/zinc/00/92/60/1066009260.db2.gz FNQWIKYMSIIGGW-QHAWAJNXSA-N 1 2 489.665 2.592 20 0 JFADLO CCC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)CC1 ZINC001293445538 1066009313 /nfs/dbraw/zinc/00/93/13/1066009313.db2.gz IXTJYGOGYUAVQJ-SFHVURJKSA-N 1 2 455.611 2.543 20 0 JFADLO CCC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2c2cc(NC)nc[nH+]2)CC1 ZINC001293445538 1066009322 /nfs/dbraw/zinc/00/93/22/1066009322.db2.gz IXTJYGOGYUAVQJ-SFHVURJKSA-N 1 2 455.611 2.543 20 0 JFADLO CC[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](c2ccco2)[NH+](C)C)CCO1 ZINC001293538917 1066056557 /nfs/dbraw/zinc/05/65/57/1066056557.db2.gz GYHOKWBSUXTDNR-AZUAARDMSA-N 1 2 473.599 2.860 20 0 JFADLO CC[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](c2ccco2)[NH+](C)C)CCO1 ZINC001293538918 1066056584 /nfs/dbraw/zinc/05/65/84/1066056584.db2.gz GYHOKWBSUXTDNR-ICSRJNTNSA-N 1 2 473.599 2.860 20 0 JFADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](c2cccs2)[NH+](C)C)CCS1 ZINC001293596969 1066109056 /nfs/dbraw/zinc/10/90/56/1066109056.db2.gz WYDUUZDAKWWDQA-GVDBMIGSSA-N 1 2 469.702 2.876 20 0 JFADLO CC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCC(F)(F)CC2)CC[N@@H+]1CCOC ZINC001293599706 1066114723 /nfs/dbraw/zinc/11/47/23/1066114723.db2.gz NXCIGYONMABMHS-OALUTQOASA-N 1 2 489.633 2.553 20 0 JFADLO CC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCC(F)(F)CC2)CC[N@H+]1CCOC ZINC001293599706 1066114739 /nfs/dbraw/zinc/11/47/39/1066114739.db2.gz NXCIGYONMABMHS-OALUTQOASA-N 1 2 489.633 2.553 20 0 JFADLO CC[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CCO1 ZINC001293643418 1066158828 /nfs/dbraw/zinc/15/88/28/1066158828.db2.gz DRYLVMUPKQFOGV-HXUWFJFHSA-N 1 2 460.598 2.637 20 0 JFADLO CC[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CCO1 ZINC001293643418 1066158830 /nfs/dbraw/zinc/15/88/30/1066158830.db2.gz DRYLVMUPKQFOGV-HXUWFJFHSA-N 1 2 460.598 2.637 20 0 JFADLO CC[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CCO1 ZINC001293643417 1066158897 /nfs/dbraw/zinc/15/88/97/1066158897.db2.gz DRYLVMUPKQFOGV-FQEVSTJZSA-N 1 2 460.598 2.637 20 0 JFADLO CC[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CCO1 ZINC001293643417 1066158902 /nfs/dbraw/zinc/15/89/02/1066158902.db2.gz DRYLVMUPKQFOGV-FQEVSTJZSA-N 1 2 460.598 2.637 20 0 JFADLO CC[C@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001293652902 1066164635 /nfs/dbraw/zinc/16/46/35/1066164635.db2.gz PVPPJUVPMXEHHE-AABGKKOBSA-N 1 2 478.638 2.686 20 0 JFADLO CC/C=C/Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001293684036 1066173990 /nfs/dbraw/zinc/17/39/90/1066173990.db2.gz VFTJXPQMMIBFMO-AATRIKPKSA-N 1 2 468.602 2.673 20 0 JFADLO COc1cc(CC(=O)N2CCC[N@H+](Cc3cn4cc(Cl)ccc4n3)CC2)cc(OC)c1O ZINC001293712490 1066180191 /nfs/dbraw/zinc/18/01/91/1066180191.db2.gz DPAMTTSKOWENIM-UHFFFAOYSA-N 1 2 458.946 2.988 20 0 JFADLO COc1cc(CC(=O)N2CCC[N@@H+](Cc3cn4cc(Cl)ccc4n3)CC2)cc(OC)c1O ZINC001293712490 1066180193 /nfs/dbraw/zinc/18/01/93/1066180193.db2.gz DPAMTTSKOWENIM-UHFFFAOYSA-N 1 2 458.946 2.988 20 0 JFADLO CCCC(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(N(C)C)[nH+]c2)C1 ZINC001293749818 1066223764 /nfs/dbraw/zinc/22/37/64/1066223764.db2.gz IJUJTHJUFQKFOA-PMACEKPBSA-N 1 2 455.607 2.914 20 0 JFADLO CCCC(=O)NC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC001293761985 1066246456 /nfs/dbraw/zinc/24/64/56/1066246456.db2.gz LAPVJPWWIKZPFN-UHFFFAOYSA-N 1 2 496.591 2.675 20 0 JFADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1 ZINC001293763285 1066249804 /nfs/dbraw/zinc/24/98/04/1066249804.db2.gz IURPBQOIOCHBJS-QZTJIDSGSA-N 1 2 459.591 2.608 20 0 JFADLO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001293785224 1066283907 /nfs/dbraw/zinc/28/39/07/1066283907.db2.gz MEUGITGRROCQLS-AZUAARDMSA-N 1 2 458.607 2.700 20 0 JFADLO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001293785224 1066283913 /nfs/dbraw/zinc/28/39/13/1066283913.db2.gz MEUGITGRROCQLS-AZUAARDMSA-N 1 2 458.607 2.700 20 0 JFADLO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001293785225 1066283966 /nfs/dbraw/zinc/28/39/66/1066283966.db2.gz MEUGITGRROCQLS-ICSRJNTNSA-N 1 2 458.607 2.700 20 0 JFADLO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001293785225 1066283972 /nfs/dbraw/zinc/28/39/72/1066283972.db2.gz MEUGITGRROCQLS-ICSRJNTNSA-N 1 2 458.607 2.700 20 0 JFADLO CCC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001293806613 1066316598 /nfs/dbraw/zinc/31/65/98/1066316598.db2.gz KHLMFKLEADKGTP-MHECFPHRSA-N 1 2 490.052 2.678 20 0 JFADLO CCC[C@@H](C)C(=O)NCCn1c(-c2ccccc2OC)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001293856920 1066364281 /nfs/dbraw/zinc/36/42/81/1066364281.db2.gz OGUGNQADOSRGHY-LJQANCHMSA-N 1 2 492.628 2.931 20 0 JFADLO CCC[C@H](C)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001293884837 1066388890 /nfs/dbraw/zinc/38/88/90/1066388890.db2.gz JXMYOYBTTOOPQZ-CMKODMSKSA-N 1 2 455.607 2.770 20 0 JFADLO CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2nnc(C(C)(C)C)n2CC2([NH+]3CCOCC3)CC2)C1 ZINC001293934116 1066414550 /nfs/dbraw/zinc/41/45/50/1066414550.db2.gz WDDMTFBPOMIBBL-UXHICEINSA-N 1 2 460.667 2.962 20 0 JFADLO CCC[C@H](Cn1c(-c2ccccc2C)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1)OC ZINC001293961516 1066461641 /nfs/dbraw/zinc/46/16/41/1066461641.db2.gz APJMFWWNYWHXOB-OAQYLSRUSA-N 1 2 454.619 2.813 20 0 JFADLO CCC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C)CCCC2)CC[N@@H+]1CCOC ZINC001294085073 1066554767 /nfs/dbraw/zinc/55/47/67/1066554767.db2.gz DAGOBMWHOKPQJK-PMACEKPBSA-N 1 2 467.680 2.698 20 0 JFADLO CCC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C)CCCC2)CC[N@H+]1CCOC ZINC001294085073 1066554772 /nfs/dbraw/zinc/55/47/72/1066554772.db2.gz DAGOBMWHOKPQJK-PMACEKPBSA-N 1 2 467.680 2.698 20 0 JFADLO CCC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)s2)CC[N@@H+]1CCOC ZINC001294086456 1066557213 /nfs/dbraw/zinc/55/72/13/1066557213.db2.gz LRDMKIAVASBROB-RBUKOAKNSA-N 1 2 481.688 2.536 20 0 JFADLO CCC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)s2)CC[N@H+]1CCOC ZINC001294086456 1066557223 /nfs/dbraw/zinc/55/72/23/1066557223.db2.gz LRDMKIAVASBROB-RBUKOAKNSA-N 1 2 481.688 2.536 20 0 JFADLO CCOC(=O)[C@@]12CCO[C@@H]1CCN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001164432364 718976904 /nfs/dbraw/zinc/97/69/04/718976904.db2.gz GRSACSGZHZKJBA-YIXXDRMTSA-N 1 2 478.593 2.588 20 0 JFADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(-c4nc(-c5cccs5)no4)ccn3)CC2)C1=O ZINC001164644709 719282127 /nfs/dbraw/zinc/28/21/27/719282127.db2.gz RIEJTWJAKSIMHZ-UHFFFAOYSA-N 1 2 468.583 2.620 20 0 JFADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(-c4nc(-c5cccs5)no4)ccn3)CC2)C1=O ZINC001164644709 719282131 /nfs/dbraw/zinc/28/21/31/719282131.db2.gz RIEJTWJAKSIMHZ-UHFFFAOYSA-N 1 2 468.583 2.620 20 0 JFADLO COCCN1CC[N@H+](C)C2(CCN([C@@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)CC2)C1=O ZINC001164644465 719282693 /nfs/dbraw/zinc/28/26/93/719282693.db2.gz KQICTIFFJOJQPK-JOCHJYFZSA-N 1 2 477.968 2.684 20 0 JFADLO COCCN1CC[N@@H+](C)C2(CCN([C@@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)CC2)C1=O ZINC001164644465 719282699 /nfs/dbraw/zinc/28/26/99/719282699.db2.gz KQICTIFFJOJQPK-JOCHJYFZSA-N 1 2 477.968 2.684 20 0 JFADLO COCCN1CC[N@H+](C)C2(CCN(c3cnc(Cl)nc3Oc3ccccc3F)CC2)C1=O ZINC001164644491 719283667 /nfs/dbraw/zinc/28/36/67/719283667.db2.gz LWVKPNLERIPMEX-UHFFFAOYSA-N 1 2 463.941 2.821 20 0 JFADLO COCCN1CC[N@@H+](C)C2(CCN(c3cnc(Cl)nc3Oc3ccccc3F)CC2)C1=O ZINC001164644491 719283671 /nfs/dbraw/zinc/28/36/71/719283671.db2.gz LWVKPNLERIPMEX-UHFFFAOYSA-N 1 2 463.941 2.821 20 0 JFADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)cnc1C(N)=O)CC2 ZINC001164663907 719348194 /nfs/dbraw/zinc/34/81/94/719348194.db2.gz OUDAGXQJZYOASM-UHFFFAOYSA-N 1 2 451.962 2.924 20 0 JFADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)cnc1C(N)=O)CC2 ZINC001164663907 719348197 /nfs/dbraw/zinc/34/81/97/719348197.db2.gz OUDAGXQJZYOASM-UHFFFAOYSA-N 1 2 451.962 2.924 20 0 JFADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3c(n1)N(C)CC(=O)N3)CC2 ZINC001164660579 719351784 /nfs/dbraw/zinc/35/17/84/719351784.db2.gz VMWGVUQFQVJSMB-UHFFFAOYSA-N 1 2 458.570 2.560 20 0 JFADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3c(n1)N(C)CC(=O)N3)CC2 ZINC001164660579 719351785 /nfs/dbraw/zinc/35/17/85/719351785.db2.gz VMWGVUQFQVJSMB-UHFFFAOYSA-N 1 2 458.570 2.560 20 0 JFADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc(Cl)c1C(N)=O)CC2 ZINC001164660759 719351916 /nfs/dbraw/zinc/35/19/16/719351916.db2.gz YSSLLYFBPVEHTF-UHFFFAOYSA-N 1 2 451.962 2.924 20 0 JFADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc(Cl)c1C(N)=O)CC2 ZINC001164660759 719351918 /nfs/dbraw/zinc/35/19/18/719351918.db2.gz YSSLLYFBPVEHTF-UHFFFAOYSA-N 1 2 451.962 2.924 20 0 JFADLO COC(=O)C1CCN(c2ccc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nn2)CC1 ZINC001164673331 719515351 /nfs/dbraw/zinc/51/53/51/719515351.db2.gz OMWZWFNYOONETC-UHFFFAOYSA-N 1 2 483.588 2.877 20 0 JFADLO COC(=O)C1CCN(c2ccc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nn2)CC1 ZINC001164673331 719515365 /nfs/dbraw/zinc/51/53/65/719515365.db2.gz OMWZWFNYOONETC-UHFFFAOYSA-N 1 2 483.588 2.877 20 0 JFADLO O=S(=O)(c1ccnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1)N1CCCC1 ZINC001164679276 719528843 /nfs/dbraw/zinc/52/88/43/719528843.db2.gz WXDUHIIPHZJAEY-UHFFFAOYSA-N 1 2 474.602 2.877 20 0 JFADLO O=S(=O)(c1ccnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1)N1CCCC1 ZINC001164679276 719528851 /nfs/dbraw/zinc/52/88/51/719528851.db2.gz WXDUHIIPHZJAEY-UHFFFAOYSA-N 1 2 474.602 2.877 20 0 JFADLO O=C(NCCc1ccccn1)[C@@H]1C[C@@H]2CCN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]2O1 ZINC001164703034 719818177 /nfs/dbraw/zinc/81/81/77/719818177.db2.gz UESDAYLVYRWPDS-WDDWZANVSA-N 1 2 498.631 2.773 20 0 JFADLO O=C(NCCc1ccccn1)[C@@H]1C[C@@H]2CCN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]2O1 ZINC001164703034 719818179 /nfs/dbraw/zinc/81/81/79/719818179.db2.gz UESDAYLVYRWPDS-WDDWZANVSA-N 1 2 498.631 2.773 20 0 JFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1ncn2Cc1ccccc1 ZINC001164696613 719847727 /nfs/dbraw/zinc/84/77/27/719847727.db2.gz AKKIGOTXRDWNNL-UUOWRZLLSA-N 1 2 484.988 2.761 20 0 JFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C(OC)OC)ccc1NC(=O)C(C)(C)C ZINC001164700964 719862868 /nfs/dbraw/zinc/86/28/68/719862868.db2.gz ITUSDXFBZMFTAC-NSYGIPOTSA-N 1 2 492.617 2.590 20 0 JFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(C(=O)OCc2ccccc2)cn1 ZINC001164700534 719871369 /nfs/dbraw/zinc/87/13/69/719871369.db2.gz DVDBWUDQHZGKFG-OFVILXPXSA-N 1 2 453.539 2.671 20 0 JFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(C(=O)OC(C)(C)C)cc1Cl ZINC001164708205 719876886 /nfs/dbraw/zinc/87/68/86/719876886.db2.gz YNYCHSFDKUTTPD-ZHRRBRCNSA-N 1 2 453.967 2.923 20 0 JFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cncc(OCc2cccc(Cl)c2)n1 ZINC001164700483 719877075 /nfs/dbraw/zinc/87/70/75/719877075.db2.gz DQECRHVLCKYGAL-AUSIDOKSSA-N 1 2 460.962 2.942 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1ccc3ncnc(Cl)c3c1)CC2 ZINC001164709167 719902212 /nfs/dbraw/zinc/90/22/12/719902212.db2.gz PUFAHZNMDRJZNP-UHFFFAOYSA-N 1 2 475.931 2.512 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1ccc3nc(Cl)cnc3c1)CC2 ZINC001164708449 719905047 /nfs/dbraw/zinc/90/50/47/719905047.db2.gz DJQBMPJQVHTHGS-UHFFFAOYSA-N 1 2 475.931 2.512 20 0 JFADLO CSc1cnc(Cl)c(C(F)(F)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1 ZINC001164708561 719918867 /nfs/dbraw/zinc/91/88/67/719918867.db2.gz LCQAUEZOOFLUJL-UHFFFAOYSA-N 1 2 470.977 2.686 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(F)ccc1Oc1ccc(Cl)nn1)CC2 ZINC001164708030 719920982 /nfs/dbraw/zinc/92/09/82/719920982.db2.gz AMJFCNGADZRIHJ-UHFFFAOYSA-N 1 2 485.951 2.745 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(Cl)nc(-c3ccc(F)cc3)n1)CC2 ZINC001164708581 719927965 /nfs/dbraw/zinc/92/79/65/719927965.db2.gz LTAGREPBOSEQAF-UHFFFAOYSA-N 1 2 469.952 2.620 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)nc3ccc(Cl)cc31)CC2 ZINC001164703715 719931806 /nfs/dbraw/zinc/93/18/06/719931806.db2.gz LVVBNMIIFKMNKD-UHFFFAOYSA-N 1 2 460.369 2.620 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(Cl)nc3c(F)ccc(F)c13)CC2 ZINC001164714211 720049484 /nfs/dbraw/zinc/04/94/84/720049484.db2.gz PVYFDSDVCNQNEJ-UHFFFAOYSA-N 1 2 460.916 2.850 20 0 JFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)C2)C1 ZINC001164719840 720244688 /nfs/dbraw/zinc/24/46/88/720244688.db2.gz POHSOJOEQHJDRK-HHHXNRCGSA-N 1 2 472.593 2.870 20 0 JFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)C2)C1 ZINC001164719840 720244692 /nfs/dbraw/zinc/24/46/92/720244692.db2.gz POHSOJOEQHJDRK-HHHXNRCGSA-N 1 2 472.593 2.870 20 0 JFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3ccc(OC)cc3)C2)C1 ZINC001164722406 720306045 /nfs/dbraw/zinc/30/60/45/720306045.db2.gz KYMQSABXLMSFOU-HSZRJFAPSA-N 1 2 475.977 2.596 20 0 JFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3ccc(OC)cc3)C2)C1 ZINC001164722406 720306053 /nfs/dbraw/zinc/30/60/53/720306053.db2.gz KYMQSABXLMSFOU-HSZRJFAPSA-N 1 2 475.977 2.596 20 0 JFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3ccc(OC)cc3)C2)C1 ZINC001164722407 720306835 /nfs/dbraw/zinc/30/68/35/720306835.db2.gz KYMQSABXLMSFOU-QHCPKHFHSA-N 1 2 475.977 2.596 20 0 JFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3ccc(OC)cc3)C2)C1 ZINC001164722407 720306842 /nfs/dbraw/zinc/30/68/42/720306842.db2.gz KYMQSABXLMSFOU-QHCPKHFHSA-N 1 2 475.977 2.596 20 0 JFADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1nc(Cl)cc(N2CCOCC2)n1 ZINC001164721377 720312957 /nfs/dbraw/zinc/31/29/57/720312957.db2.gz GQNKZQJJZQCUHW-MRXNPFEDSA-N 1 2 483.951 2.529 20 0 JFADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1[C@@](F)(COc1cncc(Cl)n1)C(F)F ZINC001164723379 720316709 /nfs/dbraw/zinc/31/67/09/720316709.db2.gz OJJPJRLNTJMWPA-LIRRHRJNSA-N 1 2 460.888 2.953 20 0 JFADLO COC(=O)c1ccc(Cl)nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164825578 720357993 /nfs/dbraw/zinc/35/79/93/720357993.db2.gz RHKVKRNHHKHYNK-UHFFFAOYSA-N 1 2 463.991 2.600 20 0 JFADLO COC(=O)c1ccc(Cl)nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164825578 720357995 /nfs/dbraw/zinc/35/79/95/720357995.db2.gz RHKVKRNHHKHYNK-UHFFFAOYSA-N 1 2 463.991 2.600 20 0 JFADLO CCOC(=O)c1cc(C)cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164823996 720363739 /nfs/dbraw/zinc/36/37/39/720363739.db2.gz GLFAEHPUNFZXGX-UHFFFAOYSA-N 1 2 457.600 2.645 20 0 JFADLO CCOC(=O)c1cc(C)cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164823996 720363745 /nfs/dbraw/zinc/36/37/45/720363745.db2.gz GLFAEHPUNFZXGX-UHFFFAOYSA-N 1 2 457.600 2.645 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5c4CSC5)CC3)C2=O)cs1 ZINC001164825659 720364884 /nfs/dbraw/zinc/36/48/84/720364884.db2.gz SPQSDUQXYORCCI-UHFFFAOYSA-N 1 2 465.048 2.955 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5c4CSC5)CC3)C2=O)cs1 ZINC001164825659 720364887 /nfs/dbraw/zinc/36/48/87/720364887.db2.gz SPQSDUQXYORCCI-UHFFFAOYSA-N 1 2 465.048 2.955 20 0 JFADLO CSc1cnc(Cl)nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164820139 720371502 /nfs/dbraw/zinc/37/15/02/720371502.db2.gz LMEKLHRHJRIGMP-UHFFFAOYSA-N 1 2 453.037 2.930 20 0 JFADLO CSc1cnc(Cl)nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164820139 720371506 /nfs/dbraw/zinc/37/15/06/720371506.db2.gz LMEKLHRHJRIGMP-UHFFFAOYSA-N 1 2 453.037 2.930 20 0 JFADLO CCOC(=O)c1nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)ccc1Cl ZINC001164820954 720375906 /nfs/dbraw/zinc/37/59/06/720375906.db2.gz VAEVKVMFQHPJQG-UHFFFAOYSA-N 1 2 478.018 2.990 20 0 JFADLO CCOC(=O)c1nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)ccc1Cl ZINC001164820954 720375913 /nfs/dbraw/zinc/37/59/13/720375913.db2.gz VAEVKVMFQHPJQG-UHFFFAOYSA-N 1 2 478.018 2.990 20 0 JFADLO CCOC(=O)c1c(C)ccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164819313 720376647 /nfs/dbraw/zinc/37/66/47/720376647.db2.gz BVXYPHAGPJYVHB-UHFFFAOYSA-N 1 2 457.600 2.645 20 0 JFADLO CCOC(=O)c1c(C)ccnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164819313 720376650 /nfs/dbraw/zinc/37/66/50/720376650.db2.gz BVXYPHAGPJYVHB-UHFFFAOYSA-N 1 2 457.600 2.645 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(C)nc(-c5ccncc5)n4)CC3)C2=O)cs1 ZINC001164819238 720377917 /nfs/dbraw/zinc/37/79/17/720377917.db2.gz AIGPGHNWQKJXKS-UHFFFAOYSA-N 1 2 463.611 2.925 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(C)nc(-c5ccncc5)n4)CC3)C2=O)cs1 ZINC001164819238 720377922 /nfs/dbraw/zinc/37/79/22/720377922.db2.gz AIGPGHNWQKJXKS-UHFFFAOYSA-N 1 2 463.611 2.925 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1ccnc(Cl)c1F)C2 ZINC001164822565 720432226 /nfs/dbraw/zinc/43/22/26/720432226.db2.gz FDXYJNWKGKNAAE-AWEZNQCLSA-N 1 2 459.900 2.605 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1nc(Cl)cc(Cl)n1)C2 ZINC001164822079 720435087 /nfs/dbraw/zinc/43/50/87/720435087.db2.gz CIVMSITWISBGNY-CYBMUJFWSA-N 1 2 477.343 2.514 20 0 JFADLO Cc1cc2c(nc(Cl)nc2N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)s1 ZINC001164822792 720443408 /nfs/dbraw/zinc/44/34/08/720443408.db2.gz HWDYHRCRAPAEFN-HNNXBMFYSA-N 1 2 463.007 2.839 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)nc3c(F)cccc31)C2 ZINC001164824035 720449257 /nfs/dbraw/zinc/44/92/57/720449257.db2.gz LHPPVFRXIJXCCG-HNNXBMFYSA-N 1 2 460.941 2.608 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1nc(Cl)ccc1F)C2 ZINC001164826421 720450352 /nfs/dbraw/zinc/45/03/52/720450352.db2.gz WGKSMELDFZXMQZ-CQSZACIVSA-N 1 2 459.900 2.605 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(-c3cccnc3)nc3ccccc31)C2 ZINC001164829545 720471284 /nfs/dbraw/zinc/47/12/84/720471284.db2.gz GCGIDNMVYMHPOX-NRFANRHFSA-N 1 2 485.592 2.878 20 0 JFADLO O=C(c1cccnc1N1C[C@H]2CN(Cc3ccncc3)C(=O)[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164853115 720811824 /nfs/dbraw/zinc/81/18/24/720811824.db2.gz POFUYEIHFAPWIJ-AZGAKELHSA-N 1 2 496.615 2.529 20 0 JFADLO O=C(NCCc1ccccc1)[C@]12COC[C@H]1CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164852042 720815436 /nfs/dbraw/zinc/81/54/36/720815436.db2.gz MOJWKOBWDQRKHX-FUFSCUOVSA-N 1 2 483.616 2.847 20 0 JFADLO O=C(NCCc1ccccc1)[C@]12COC[C@H]1CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164852042 720815439 /nfs/dbraw/zinc/81/54/39/720815439.db2.gz MOJWKOBWDQRKHX-FUFSCUOVSA-N 1 2 483.616 2.847 20 0 JFADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cc(Cl)nc(-c3cccnc3)n1)C2 ZINC001164861469 720896228 /nfs/dbraw/zinc/89/62/28/720896228.db2.gz XYZWHUHIJVQBKS-UHFFFAOYSA-N 1 2 484.898 2.949 20 0 JFADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871055 721164803 /nfs/dbraw/zinc/16/48/03/721164803.db2.gz DBAZUSOWXDOFOI-YADHBBJMSA-N 1 2 483.569 2.896 20 0 JFADLO O=S(=O)(Nc1cccc(F)c1)c1cccnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871055 721164820 /nfs/dbraw/zinc/16/48/20/721164820.db2.gz DBAZUSOWXDOFOI-YADHBBJMSA-N 1 2 483.569 2.896 20 0 JFADLO O=C(NCc1ccco1)[C@@H]1COC[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]21 ZINC001164759563 721252437 /nfs/dbraw/zinc/25/24/37/721252437.db2.gz AWFFXHSVASRIFB-ODGPQVTHSA-N 1 2 473.577 2.643 20 0 JFADLO O=C(NCc1ccco1)[C@@H]1COC[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]21 ZINC001164759563 721252440 /nfs/dbraw/zinc/25/24/40/721252440.db2.gz AWFFXHSVASRIFB-ODGPQVTHSA-N 1 2 473.577 2.643 20 0 JFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncc3ccn(S(=O)(=O)c4ccccc4)c3n1)C2 ZINC001165009093 721711274 /nfs/dbraw/zinc/71/12/74/721711274.db2.gz PETCIZCJHAVRQX-UHFFFAOYSA-N 1 2 480.598 2.510 20 0 JFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncc3ccn(S(=O)(=O)c4ccccc4)c3n1)C2 ZINC001165009093 721711282 /nfs/dbraw/zinc/71/12/82/721711282.db2.gz PETCIZCJHAVRQX-UHFFFAOYSA-N 1 2 480.598 2.510 20 0 JFADLO O=S1(=O)CCc2nc(Cl)nc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c21 ZINC001164911165 721737745 /nfs/dbraw/zinc/73/77/45/721737745.db2.gz IJOIJIQTHHHSGH-LJQANCHMSA-N 1 2 469.945 2.593 20 0 JFADLO O=S1(=O)CCc2nc(Cl)nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c21 ZINC001164911165 721737748 /nfs/dbraw/zinc/73/77/48/721737748.db2.gz IJOIJIQTHHHSGH-LJQANCHMSA-N 1 2 469.945 2.593 20 0 JFADLO O=C(c1cccnc1N1C[C@H](OCC2CC2)[C@H]2COC[C@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC001165015339 721762894 /nfs/dbraw/zinc/76/28/94/721762894.db2.gz OQSSEEBDOIRMJV-GVAUOCQISA-N 1 2 462.594 2.670 20 0 JFADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1cnc(Cl)c(Cl)c1)CC2 ZINC001165015973 721765196 /nfs/dbraw/zinc/76/51/96/721765196.db2.gz UNGUCHJWOFPIAB-UHFFFAOYSA-N 1 2 470.311 2.856 20 0 JFADLO c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4nccnc4C4SCCCS4)CCO3)C2)c1 ZINC001164911685 721776924 /nfs/dbraw/zinc/77/69/24/721776924.db2.gz IDMUMMSHVPTGQD-QFIPXVFZSA-N 1 2 459.641 2.848 20 0 JFADLO c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4nccnc4C4SCCCS4)CCO3)C2)c1 ZINC001164911685 721776925 /nfs/dbraw/zinc/77/69/25/721776925.db2.gz IDMUMMSHVPTGQD-QFIPXVFZSA-N 1 2 459.641 2.848 20 0 JFADLO O=C(Nc1ccccc1)c1ccnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164916730 721783978 /nfs/dbraw/zinc/78/39/78/721783978.db2.gz SVGCEBXODNZVCR-AREMUKBSSA-N 1 2 459.550 2.837 20 0 JFADLO O=C(Nc1ccccc1)c1ccnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164916730 721783980 /nfs/dbraw/zinc/78/39/80/721783980.db2.gz SVGCEBXODNZVCR-AREMUKBSSA-N 1 2 459.550 2.837 20 0 JFADLO O=C(NC1CCCC1)c1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164913223 721795756 /nfs/dbraw/zinc/79/57/56/721795756.db2.gz BLLAXDRJQWVPRZ-VWLOTQADSA-N 1 2 486.016 2.910 20 0 JFADLO O=C(NC1CCCC1)c1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164913223 721795760 /nfs/dbraw/zinc/79/57/60/721795760.db2.gz BLLAXDRJQWVPRZ-VWLOTQADSA-N 1 2 486.016 2.910 20 0 JFADLO c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4nc(-c5cccnc5)nc5c4CCC5)CCO3)C2)c1 ZINC001164914316 721797728 /nfs/dbraw/zinc/79/77/28/721797728.db2.gz LPVKLIMWNMYWLY-AREMUKBSSA-N 1 2 458.566 2.530 20 0 JFADLO c1cncc(C[N@H+]2CCOC[C@]3(CN(c4nc(-c5cccnc5)nc5c4CCC5)CCO3)C2)c1 ZINC001164914316 721797731 /nfs/dbraw/zinc/79/77/31/721797731.db2.gz LPVKLIMWNMYWLY-AREMUKBSSA-N 1 2 458.566 2.530 20 0 JFADLO Clc1cc(-c2ccncc2)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913408 721800566 /nfs/dbraw/zinc/80/05/66/721800566.db2.gz CUORAYDRLZIHKY-QHCPKHFHSA-N 1 2 452.946 2.695 20 0 JFADLO Clc1cc(-c2ccncc2)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913408 721800567 /nfs/dbraw/zinc/80/05/67/721800567.db2.gz CUORAYDRLZIHKY-QHCPKHFHSA-N 1 2 452.946 2.695 20 0 JFADLO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164917993 721815730 /nfs/dbraw/zinc/81/57/30/721815730.db2.gz UEWWKVCCMYXHOO-UHFFFAOYSA-N 1 2 450.996 2.975 20 0 JFADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)CC1 ZINC001164919043 721819609 /nfs/dbraw/zinc/81/96/09/721819609.db2.gz YYKCTKBQNBURPO-UHFFFAOYSA-N 1 2 493.681 2.958 20 0 JFADLO Cc1nc(CN2CCOC[C@]3(CN(c4cc(N5CCC[C@@H](C)C5)[nH+]cn4)CCO3)C2)cs1 ZINC001164923012 721833315 /nfs/dbraw/zinc/83/33/15/721833315.db2.gz QIIYCXQPHMOIOI-WZONZLPQSA-N 1 2 458.632 2.586 20 0 JFADLO Cc1nc(CN2CCOC[C@]3(CN(c4cc(N5CCC[C@@H](C)C5)nc[nH+]4)CCO3)C2)cs1 ZINC001164923012 721833316 /nfs/dbraw/zinc/83/33/16/721833316.db2.gz QIIYCXQPHMOIOI-WZONZLPQSA-N 1 2 458.632 2.586 20 0 JFADLO Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(N4CCN(c5ccccc5F)CC4)[nH+]cn3)C[C@@H]21 ZINC001164950950 721958171 /nfs/dbraw/zinc/95/81/71/721958171.db2.gz YGOICFISXLTLBN-BJKOFHAPSA-N 1 2 493.587 2.637 20 0 JFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN([C@@](F)(COc1cncc(Cl)n1)C(F)F)CC2 ZINC001164949324 721979701 /nfs/dbraw/zinc/97/97/01/721979701.db2.gz OQSUEAHISLGJKV-QFIPXVFZSA-N 1 2 483.922 2.906 20 0 JFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN([C@@](F)(COc1cncc(Cl)n1)C(F)F)CC2 ZINC001164949324 721979706 /nfs/dbraw/zinc/97/97/06/721979706.db2.gz OQSUEAHISLGJKV-QFIPXVFZSA-N 1 2 483.922 2.906 20 0 JFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc(-c3ccc(N4CCOCC4)cc3)nn1)CC2 ZINC001164950446 721979969 /nfs/dbraw/zinc/97/99/69/721979969.db2.gz UTMMOIAQIJKDMJ-UHFFFAOYSA-N 1 2 498.631 2.951 20 0 JFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc(-c3ccc(N4CCOCC4)cc3)nn1)CC2 ZINC001164950446 721979972 /nfs/dbraw/zinc/97/99/72/721979972.db2.gz UTMMOIAQIJKDMJ-UHFFFAOYSA-N 1 2 498.631 2.951 20 0 JFADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)[C@H]2CCCO[C@@H]12)c1cscn1 ZINC001164949689 721999613 /nfs/dbraw/zinc/99/96/13/721999613.db2.gz FFVDVZNDODIWRN-PUHATCMVSA-N 1 2 476.606 2.658 20 0 JFADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)[C@H]2CCCO[C@@H]12)c1cscn1 ZINC001164949689 721999617 /nfs/dbraw/zinc/99/96/17/721999617.db2.gz FFVDVZNDODIWRN-PUHATCMVSA-N 1 2 476.606 2.658 20 0 JFADLO O=C1Nc2cnc(Cl)nc2N(C2CCCC2)C[C@@]1(F)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165055889 722016718 /nfs/dbraw/zinc/01/67/18/722016718.db2.gz NCVQRXITEONRCW-HSZRJFAPSA-N 1 2 473.984 2.752 20 0 JFADLO CC(=O)N1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)CC[C@@H]21 ZINC001164969634 722080047 /nfs/dbraw/zinc/08/00/47/722080047.db2.gz LUJNOAYNYDUWLJ-FXSPECFOSA-N 1 2 471.609 2.747 20 0 JFADLO CC(=O)N1[C@H](Cn2cccn2)C[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)CC[C@@H]21 ZINC001164969634 722080048 /nfs/dbraw/zinc/08/00/48/722080048.db2.gz LUJNOAYNYDUWLJ-FXSPECFOSA-N 1 2 471.609 2.747 20 0 JFADLO COc1ccc(C(=O)N(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)cc1N1CCNC1=O ZINC001264924352 1059729179 /nfs/dbraw/zinc/72/91/79/1059729179.db2.gz NQPDHEXLXOATJY-IBGZPJMESA-N 1 2 452.555 2.588 20 0 JFADLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CCC(=O)N1CCOc2ccccc21 ZINC001264924631 1059729215 /nfs/dbraw/zinc/72/92/15/1059729215.db2.gz XANYOMGEMJNGHX-NRFANRHFSA-N 1 2 451.567 2.942 20 0 JFADLO CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001265019307 1059753495 /nfs/dbraw/zinc/75/34/95/1059753495.db2.gz TVLBEAWBJIIGFM-MJGOQNOKSA-N 1 2 459.978 2.909 20 0 JFADLO CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001265019307 1059753513 /nfs/dbraw/zinc/75/35/13/1059753513.db2.gz TVLBEAWBJIIGFM-MJGOQNOKSA-N 1 2 459.978 2.909 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc2c(c1)S(=O)(=O)N(CC)C2=O ZINC001265483578 1059870615 /nfs/dbraw/zinc/87/06/15/1059870615.db2.gz BMWGOFOOXGFSFN-UHFFFAOYSA-N 1 2 456.568 2.625 20 0 JFADLO Cc1ccc([C@@H]2CCCN2c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)[nH+]c2)o1 ZINC001289620034 1061258569 /nfs/dbraw/zinc/25/85/69/1061258569.db2.gz XENPDWQPIUJYKT-AEFFLSMTSA-N 1 2 473.603 2.641 20 0 JFADLO Cc1ccc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)o1 ZINC001289631122 1061265513 /nfs/dbraw/zinc/26/55/13/1061265513.db2.gz OVBSJJUTKACIFL-FQEVSTJZSA-N 1 2 467.574 2.820 20 0 JFADLO Cc1ccc(CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)s1 ZINC001289631319 1061265747 /nfs/dbraw/zinc/26/57/47/1061265747.db2.gz WNSJBUKFIIKEAT-FQEVSTJZSA-N 1 2 460.648 2.877 20 0 JFADLO CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@@H+]2CCOC[C@H]2C)[C@H](C)C1 ZINC001286870314 1061266032 /nfs/dbraw/zinc/26/60/32/1061266032.db2.gz AIWXHDNQTSHCDT-SJBKTWHCSA-N 1 2 484.645 2.813 20 0 JFADLO CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC[N@H+]2CCOC[C@H]2C)[C@H](C)C1 ZINC001286870314 1061266053 /nfs/dbraw/zinc/26/60/53/1061266053.db2.gz AIWXHDNQTSHCDT-SJBKTWHCSA-N 1 2 484.645 2.813 20 0 JFADLO CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)[C@H](C)C1 ZINC001286882116 1061308639 /nfs/dbraw/zinc/30/86/39/1061308639.db2.gz AGEMVJJJBZDGJW-VGSWGCGISA-N 1 2 483.567 2.902 20 0 JFADLO CC(=O)N1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCOC[C@H]2C)[C@H](C)C1 ZINC001286882165 1061309371 /nfs/dbraw/zinc/30/93/71/1061309371.db2.gz FADPNIASHXWHTM-NHCUHLMSSA-N 1 2 498.672 2.932 20 0 JFADLO CC(=O)N1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCOC[C@H]2C)[C@H](C)C1 ZINC001286882165 1061309384 /nfs/dbraw/zinc/30/93/84/1061309384.db2.gz FADPNIASHXWHTM-NHCUHLMSSA-N 1 2 498.672 2.932 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3ccccc3F)nnc2N(C)Cc2ccccn2)CC1 ZINC001286888516 1061341717 /nfs/dbraw/zinc/34/17/17/1061341717.db2.gz BDAOCBLVPSCLDZ-IBGZPJMESA-N 1 2 481.576 2.753 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)CCC(F)F)CC1 ZINC001286888840 1061344161 /nfs/dbraw/zinc/34/41/61/1061344161.db2.gz GVWAYRJZITXYIP-MRXNPFEDSA-N 1 2 468.524 2.813 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001286888801 1061344222 /nfs/dbraw/zinc/34/42/22/1061344222.db2.gz GGNITSLBJIOPMR-RTBURBONSA-N 1 2 491.036 2.851 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3ccccc3F)nnc2N(C)CCC(F)F)CC1 ZINC001286888838 1061344425 /nfs/dbraw/zinc/34/44/25/1061344425.db2.gz GVWAYRJZITXYIP-INIZCTEOSA-N 1 2 468.524 2.813 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(N(C)[C@@H](C)c3ccccc3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001286889193 1061346421 /nfs/dbraw/zinc/34/64/21/1061346421.db2.gz GBLQBNBBNGFNON-HFZDXXHNSA-N 1 2 484.645 2.680 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3ccccc3F)nnc2N2CC[C@@H](C)[C@@H]2C)CC1 ZINC001286889304 1061347288 /nfs/dbraw/zinc/34/72/88/1061347288.db2.gz IWRMMXOKJDNWDU-QYZOEREBSA-N 1 2 458.582 2.956 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccc3F)nnc2N2CCS[C@H](C)[C@H]2C)CC1 ZINC001286889772 1061350179 /nfs/dbraw/zinc/35/01/79/1061350179.db2.gz KJOSOUFWAATGJF-QZTJIDSGSA-N 1 2 460.623 2.502 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccc(F)cc3)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001286889734 1061350259 /nfs/dbraw/zinc/35/02/59/1061350259.db2.gz JWOTYFVEHOZZGL-JOCHJYFZSA-N 1 2 474.650 2.750 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3ccc(C)cc3)nnc2N2CC[C@@H](C(C)C)C2)CC1 ZINC001286889873 1061352034 /nfs/dbraw/zinc/35/20/34/1061352034.db2.gz MDTKRZIOULNZHQ-JOCHJYFZSA-N 1 2 454.619 2.812 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccc3F)nnc2N2CCC(C(F)(F)F)CC2)CC1 ZINC001286890288 1061353478 /nfs/dbraw/zinc/35/34/78/1061353478.db2.gz OEDAMJFRXZBNHA-UHFFFAOYSA-N 1 2 482.526 2.951 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3ccccc3F)nnc2N2C[C@H](C)CC[C@H]2C)CC1 ZINC001286890572 1061355541 /nfs/dbraw/zinc/35/55/41/1061355541.db2.gz SMQZCXRXCVYVBT-RTBURBONSA-N 1 2 458.582 2.785 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccc(Cl)cc3)nnc2N(C)[C@H]2CCSC2)CC1 ZINC001286890875 1061357099 /nfs/dbraw/zinc/35/70/99/1061357099.db2.gz UKMAGCZXTJBBKM-FQEVSTJZSA-N 1 2 463.051 2.628 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001286891289 1061359344 /nfs/dbraw/zinc/35/93/44/1061359344.db2.gz WZRXDZYMULZRHP-RTBURBONSA-N 1 2 488.608 2.725 20 0 JFADLO CC(=O)NC1CCC(N(C)c2nnc(C(=O)NC(C)C)n2Cc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC001286897036 1061381403 /nfs/dbraw/zinc/38/14/03/1061381403.db2.gz KXAUMYKJTAHFOO-UHFFFAOYSA-N 1 2 492.628 2.593 20 0 JFADLO CC(=O)NC1CCC(N(C)c2nnc(CC(C)C)n2Cc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC001286904231 1061408391 /nfs/dbraw/zinc/40/83/91/1061408391.db2.gz PCSDCBGRMIZDIF-UHFFFAOYSA-N 1 2 469.634 2.640 20 0 JFADLO Cc1ccc(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2CC2(O)CCCCC2)cc1C ZINC001289787156 1061413606 /nfs/dbraw/zinc/41/36/06/1061413606.db2.gz MRCBRDGQHMRUHM-UHFFFAOYSA-N 1 2 457.619 2.938 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1C ZINC001289813721 1061466382 /nfs/dbraw/zinc/46/63/82/1061466382.db2.gz JQBNWAIEENBJAH-GOTSBHOMSA-N 1 2 498.672 2.936 20 0 JFADLO Cc1nnc(N(C)CCNS(=O)(=O)c2ccc(C)cc2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001289854528 1061525054 /nfs/dbraw/zinc/52/50/54/1061525054.db2.gz BGQINZHQDAMLHG-UHFFFAOYSA-N 1 2 497.669 2.989 20 0 JFADLO CC(=O)NCC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001286932246 1061561043 /nfs/dbraw/zinc/56/10/43/1061561043.db2.gz PNSDVCDBQKWEEE-MOPGFXCFSA-N 1 2 488.608 2.630 20 0 JFADLO CC(=O)NCC1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001286932246 1061561061 /nfs/dbraw/zinc/56/10/61/1061561061.db2.gz PNSDVCDBQKWEEE-MOPGFXCFSA-N 1 2 488.608 2.630 20 0 JFADLO Cc1cccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC(F)(F)F)[NH+]2CCOCC2)c1 ZINC001289893302 1061578046 /nfs/dbraw/zinc/57/80/46/1061578046.db2.gz HEEPBDMXBUVAEK-MSOLQXFVSA-N 1 2 466.508 2.610 20 0 JFADLO Cc1cccc([C@@H](Cn2c(C(C)C)nnc2N2CCC(CC(N)=O)CC2)[NH+]2CCOCC2)c1 ZINC001289894476 1061579207 /nfs/dbraw/zinc/57/92/07/1061579207.db2.gz RVFBHUORDQBAAT-JOCHJYFZSA-N 1 2 454.619 2.875 20 0 JFADLO Cc1cccc(C)c1NC(=O)Cn1c(C(C)C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001289895849 1061583255 /nfs/dbraw/zinc/58/32/55/1061583255.db2.gz NPFGRCWOKCYMGH-OAQYLSRUSA-N 1 2 481.645 2.790 20 0 JFADLO Cc1cccc(-c2nnc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)n2CC[S@@](=O)C(C)(C)C)n1 ZINC001289972113 1061678502 /nfs/dbraw/zinc/67/85/02/1061678502.db2.gz IJZRHRJWPDGFQZ-NLINSNCNSA-N 1 2 474.675 2.744 20 0 JFADLO CC(=O)NCCCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CC[NH+]1CCOCC1 ZINC001286951043 1061686069 /nfs/dbraw/zinc/68/60/69/1061686069.db2.gz RMIUVQSDICEOPH-UHFFFAOYSA-N 1 2 455.390 2.547 20 0 JFADLO Cc1nccn1CCCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001289985407 1061709809 /nfs/dbraw/zinc/70/98/09/1061709809.db2.gz KRJXICRQTODLSS-UHFFFAOYSA-N 1 2 452.607 2.791 20 0 JFADLO Cc1cccc(CCn2c(COc3ccccc3F)nnc2N(C)CC[NH+]2CCOCC2)n1 ZINC001290024592 1061745677 /nfs/dbraw/zinc/74/56/77/1061745677.db2.gz SEGGVGAOWSKPRW-UHFFFAOYSA-N 1 2 454.550 2.711 20 0 JFADLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2nnc(-c3ccccc3)n2CCCCCO)CC1 ZINC001286971671 1061749521 /nfs/dbraw/zinc/74/95/21/1061749521.db2.gz AQCCJGXCYKUOFO-FQEVSTJZSA-N 1 2 454.619 2.677 20 0 JFADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@](C)(O)c2ccsc2)CC1 ZINC001286972939 1061756554 /nfs/dbraw/zinc/75/65/54/1061756554.db2.gz XBAKDYUIKFHWDG-UUOWRZLLSA-N 1 2 474.675 2.678 20 0 JFADLO Cc1cccc(OCc2nnc(N(C)C[C@@H](c3cccs3)[NH+]3CCOCC3)n2CC(=O)N(C)C)c1 ZINC001290046766 1061766045 /nfs/dbraw/zinc/76/60/45/1061766045.db2.gz KCIKGWBPCFKULJ-NRFANRHFSA-N 1 2 498.653 2.825 20 0 JFADLO Cc1cccn2cc(CCNC(=O)c3cn([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)nn3)[nH+]c12 ZINC001294275117 1061768660 /nfs/dbraw/zinc/76/86/60/1061768660.db2.gz VDBWMBVPVNAREQ-GOSISDBHSA-N 1 2 453.547 2.779 20 0 JFADLO CCCn1c(CCC(=O)NCc2[nH]c[nH+]c2C)nc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC001294284568 1061774420 /nfs/dbraw/zinc/77/44/20/1061774420.db2.gz XKCQWWXRDQFGEF-UHFFFAOYSA-N 1 2 458.588 2.511 20 0 JFADLO C[C@H]([C@H](C)N(C)c1nnc(Cc2cccnc2)n1Cc1cc[nH+]c(N2CCCCC2)c1)S(C)(=O)=O ZINC001286977222 1061790018 /nfs/dbraw/zinc/79/00/18/1061790018.db2.gz RCOCIDNSQMWGIL-VQTJNVASSA-N 1 2 497.669 2.955 20 0 JFADLO Cc1cccc(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2Cc2ccc(N(C)C)[nH+]c2)c1 ZINC001290066341 1061790383 /nfs/dbraw/zinc/79/03/83/1061790383.db2.gz LFVLMYBPTDCMDV-OAQYLSRUSA-N 1 2 484.626 2.688 20 0 JFADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001286977809 1061794227 /nfs/dbraw/zinc/79/42/27/1061794227.db2.gz SPNGKGYDRGXXOZ-SHJAMOMRSA-N 1 2 481.638 2.872 20 0 JFADLO Cc1cccc(OCc2nnc(N3CCCN(S(C)(=O)=O)CC3)n2CCCNc2cccc[nH+]2)c1 ZINC001290069544 1061794241 /nfs/dbraw/zinc/79/42/41/1061794241.db2.gz LQXVTKXYAVJARM-UHFFFAOYSA-N 1 2 499.641 2.534 20 0 JFADLO Cc1cccc(OCc2nnc(N3CCN(c4cc[nH+]c(C)n4)CC3)n2CCC(=O)NC(C)(C)C)c1 ZINC001290070802 1061796434 /nfs/dbraw/zinc/79/64/34/1061796434.db2.gz GFKMMIVHHZACMM-UHFFFAOYSA-N 1 2 492.628 2.895 20 0 JFADLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCO2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001286978239 1061796560 /nfs/dbraw/zinc/79/65/60/1061796560.db2.gz PPVRMOLYCPNLFE-ABSDTBQOSA-N 1 2 467.611 2.659 20 0 JFADLO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCO2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001286978239 1061796582 /nfs/dbraw/zinc/79/65/82/1061796582.db2.gz PPVRMOLYCPNLFE-ABSDTBQOSA-N 1 2 467.611 2.659 20 0 JFADLO Cc1cccc(OCCn2c(C(C)C)nnc2N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)c1 ZINC001290080740 1061811322 /nfs/dbraw/zinc/81/13/22/1061811322.db2.gz OJLLMNKZYRABIR-OAQYLSRUSA-N 1 2 454.619 2.922 20 0 JFADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001286982212 1061825157 /nfs/dbraw/zinc/82/51/57/1061825157.db2.gz PQAZPNLQSBVSFO-HBFSDRIKSA-N 1 2 476.647 2.821 20 0 JFADLO Cc1ccccc1-c1nnc(N(C)CCNC(=O)C(C)C)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001290107726 1061835763 /nfs/dbraw/zinc/83/57/63/1061835763.db2.gz RUTTZWUKMVLMTH-UHFFFAOYSA-N 1 2 477.613 2.742 20 0 JFADLO Cc1ccccc1-c1nnc(N2CC[NH+](CC(=O)N3CCCC3)CC2)n1CCCOCC(F)F ZINC001290130680 1061865143 /nfs/dbraw/zinc/86/51/43/1061865143.db2.gz ZADDXRFSFFWEKN-UHFFFAOYSA-N 1 2 476.572 2.670 20 0 JFADLO Cc1ccccc1Cc1nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290145098 1061882688 /nfs/dbraw/zinc/88/26/88/1061882688.db2.gz HKOUWLMTIOHGFA-CIAFKFPVSA-N 1 2 491.702 2.934 20 0 JFADLO Cc1ccccc1Cc1nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290145098 1061882697 /nfs/dbraw/zinc/88/26/97/1061882697.db2.gz HKOUWLMTIOHGFA-CIAFKFPVSA-N 1 2 491.702 2.934 20 0 JFADLO CCCCNC(=O)[C@H]1CCCN(c2nnc(C)n2C[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC001294339352 1061884167 /nfs/dbraw/zinc/88/41/67/1061884167.db2.gz ZLDQABJPHIZASI-GOTSBHOMSA-N 1 2 454.619 2.793 20 0 JFADLO CC(C)(C)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001287001724 1061918877 /nfs/dbraw/zinc/91/88/77/1061918877.db2.gz XOQHLIIPNOYMFC-UHFFFAOYSA-N 1 2 475.663 2.527 20 0 JFADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001290203961 1061946837 /nfs/dbraw/zinc/94/68/37/1061946837.db2.gz XSZGVFCODOCLQA-UHFFFAOYSA-N 1 2 458.971 2.660 20 0 JFADLO CCCCOCCCn1c(C(=O)N2CCCC2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001294380694 1061953757 /nfs/dbraw/zinc/95/37/57/1061953757.db2.gz KQIORVKHLXDKIW-UHFFFAOYSA-N 1 2 455.607 2.745 20 0 JFADLO COC(=O)c1cn(CC(=O)N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)nn1 ZINC001290266200 1061996939 /nfs/dbraw/zinc/99/69/39/1061996939.db2.gz WLTZBBXDEMWNGK-UHFFFAOYSA-N 1 2 459.959 2.791 20 0 JFADLO Cc1cn2c([nH+]1)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)CCC2 ZINC001290287452 1062017500 /nfs/dbraw/zinc/01/75/00/1062017500.db2.gz OAMZVRBVNONOOA-OALUTQOASA-N 1 2 484.649 2.630 20 0 JFADLO Cc1cn2c([nH+]1)[C@H](Cn1c(C(=O)Nc3ccc(C)c(C)c3)nnc1N(C)CCS(C)(=O)=O)CCC2 ZINC001290287878 1062018119 /nfs/dbraw/zinc/01/81/19/1062018119.db2.gz UFIIOVZGPBSXKP-IBGZPJMESA-N 1 2 499.641 2.711 20 0 JFADLO Cc1cn2c([nH+]1)[C@H](Cn1c(CCc3ccccc3)nnc1N(C)CCS(C)(=O)=O)CCC2 ZINC001290296563 1062026317 /nfs/dbraw/zinc/02/63/17/1062026317.db2.gz SXZWHJAUHUUXAI-FQEVSTJZSA-N 1 2 456.616 2.627 20 0 JFADLO COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC001290351946 1062063526 /nfs/dbraw/zinc/06/35/26/1062063526.db2.gz DJYQFCLTQXIHMU-GCJKJVERSA-N 1 2 454.571 2.855 20 0 JFADLO COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC001290351946 1062063543 /nfs/dbraw/zinc/06/35/43/1062063543.db2.gz DJYQFCLTQXIHMU-GCJKJVERSA-N 1 2 454.571 2.855 20 0 JFADLO CCCN(CC1CC1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001294548771 1062074602 /nfs/dbraw/zinc/07/46/02/1062074602.db2.gz SMQMHXLFXBBNGO-FPOVZHCZSA-N 1 2 492.665 2.934 20 0 JFADLO CCCN(CC1CC1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001294548771 1062074624 /nfs/dbraw/zinc/07/46/24/1062074624.db2.gz SMQMHXLFXBBNGO-FPOVZHCZSA-N 1 2 492.665 2.934 20 0 JFADLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C1 ZINC001294658416 1062204677 /nfs/dbraw/zinc/20/46/77/1062204677.db2.gz BOAWFFDDUGTRLB-DGJFXRHUSA-N 1 2 456.612 2.914 20 0 JFADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CCNC(=O)c2cc(F)ccc2Br)C1 ZINC001294660505 1062209847 /nfs/dbraw/zinc/20/98/47/1062209847.db2.gz PKJHIJCYSXSWCV-AWEZNQCLSA-N 1 2 451.340 2.923 20 0 JFADLO Cc1cc(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC001294690577 1062249376 /nfs/dbraw/zinc/24/93/76/1062249376.db2.gz DMGVNMYASPPEQY-LJQANCHMSA-N 1 2 452.477 2.763 20 0 JFADLO Cc1cccc2c1C[C@@H](C(=O)N1CC[C@@H](OCC[NH+]3CCOCC3)C1)N2C(=O)OC(C)(C)C ZINC001294691668 1062250440 /nfs/dbraw/zinc/25/04/40/1062250440.db2.gz YHIMFLNXXIKTMO-KNQAVFIVSA-N 1 2 459.587 2.611 20 0 JFADLO CC(C)(C)[S@@](=O)CCn1c([C@H]2CCCO2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001287086548 1062263310 /nfs/dbraw/zinc/26/33/10/1062263310.db2.gz QHHYIJMQVKVMQJ-BJQVUIHVSA-N 1 2 475.659 2.532 20 0 JFADLO CCCN1CCCN(c2nnc([C@@H](C)CC)n2Cc2ccc(N3CCO[C@H](C)C3)[nH+]c2)CC1=O ZINC001294712353 1062282159 /nfs/dbraw/zinc/28/21/59/1062282159.db2.gz RCVXDMDAZIVZDC-VQTJNVASSA-N 1 2 469.634 2.909 20 0 JFADLO Cc1nc(N2CCN(c3nnc([C@@H](C)Oc4ccccc4F)n3CC(C)(C)O)CC2)cc[nH+]1 ZINC001290496046 1062284087 /nfs/dbraw/zinc/28/40/87/1062284087.db2.gz BONYGBXRIYYCRU-MRXNPFEDSA-N 1 2 455.538 2.753 20 0 JFADLO Cc1cccc(C)c1CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001290496123 1062284732 /nfs/dbraw/zinc/28/47/32/1062284732.db2.gz GDMJTDKGKKQTAR-UHFFFAOYSA-N 1 2 462.602 2.701 20 0 JFADLO Cc1ncc(C[NH+]2CCN(c3nnc(-c4cnn(C)c4)n3C[C@](C)(O)CCC(C)C)CC2)s1 ZINC001290496518 1062285464 /nfs/dbraw/zinc/28/54/64/1062285464.db2.gz MEIOPCKJJSKMGB-HSZRJFAPSA-N 1 2 472.663 2.953 20 0 JFADLO Cc1ncc(C[NH+]2CCN(c3nnc(C(C)C)n3CC[C@H](C(F)F)N3CCOCC3)CC2)s1 ZINC001290496830 1062287513 /nfs/dbraw/zinc/28/75/13/1062287513.db2.gz AZRHTKLHWLFCCS-LJQANCHMSA-N 1 2 483.633 2.845 20 0 JFADLO Cc1ncc(C[NH+]2CCN(c3nnc(C(C)C)n3CC[C@@H](C(F)F)N3CCOCC3)CC2)s1 ZINC001290496829 1062287565 /nfs/dbraw/zinc/28/75/65/1062287565.db2.gz AZRHTKLHWLFCCS-IBGZPJMESA-N 1 2 483.633 2.845 20 0 JFADLO Cc1ccccc1OCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001290497112 1062287986 /nfs/dbraw/zinc/28/79/86/1062287986.db2.gz VQVRKFUCWCGZJN-UHFFFAOYSA-N 1 2 478.601 2.619 20 0 JFADLO Cc1nc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)c3ccc(F)cc3)CC2)cc[nH+]1 ZINC001290497045 1062288029 /nfs/dbraw/zinc/28/80/29/1062288029.db2.gz UAQHWWAGPCXEMU-KRWDZBQOSA-N 1 2 466.565 2.784 20 0 JFADLO Cc1ncc(C[NH+]2CCN(c3nnc(Cc4ccc(F)cc4)n3CCCC(=O)N(C)C)CC2)s1 ZINC001290497100 1062288073 /nfs/dbraw/zinc/28/80/73/1062288073.db2.gz VMSZQTGYANEVLI-UHFFFAOYSA-N 1 2 485.633 2.964 20 0 JFADLO Cc1ncc(C[NH+]2CCN(c3nnc([C@@]4(OC(C)C)CCOC4)n3C[C@@](C)(O)C(C)C)CC2)s1 ZINC001290497848 1062289627 /nfs/dbraw/zinc/28/96/27/1062289627.db2.gz OBUMEPNBKBHSBV-DNQXCXABSA-N 1 2 492.690 2.813 20 0 JFADLO Cc1nc(N2CCN(c3nnc(-c4ccc[nH]4)n3CC(F)(F)Br)CC2)cc[nH+]1 ZINC001290500516 1062291724 /nfs/dbraw/zinc/29/17/24/1062291724.db2.gz ACFNNWNPYGRSIZ-UHFFFAOYSA-N 1 2 453.295 2.686 20 0 JFADLO Cc1nc(N2CCN(c3nnc(-c4cccc(OC(F)F)c4)n3CC(C)(C)O)CC2)cc[nH+]1 ZINC001290500967 1062292433 /nfs/dbraw/zinc/29/24/33/1062292433.db2.gz GSLMFQDSZWPSQD-UHFFFAOYSA-N 1 2 459.501 2.742 20 0 JFADLO Cc1nc(N2CCN(c3nnc(COc4ccc(F)cc4)n3CCOCC(F)F)CC2)cc[nH+]1 ZINC001290501050 1062293185 /nfs/dbraw/zinc/29/31/85/1062293185.db2.gz IJACJNVJMVGWRU-UHFFFAOYSA-N 1 2 477.491 2.703 20 0 JFADLO Cc1nc(N2CCN(c3nnc(COc4ccccc4F)n3C[C@](C)(O)C(C)C)CC2)cc[nH+]1 ZINC001290501512 1062293909 /nfs/dbraw/zinc/29/39/09/1062293909.db2.gz MPDBBEOXFVLZBL-DEOSSOPVSA-N 1 2 469.565 2.828 20 0 JFADLO Cc1nc(N2CCN(c3nnc(COc4ccccc4F)n3C[C@@](C)(O)C(C)C)CC2)cc[nH+]1 ZINC001290501513 1062294036 /nfs/dbraw/zinc/29/40/36/1062294036.db2.gz MPDBBEOXFVLZBL-XMMPIXPASA-N 1 2 469.565 2.828 20 0 JFADLO Cc1nc(N2CCN(c3nnc(CC(C)(C)C)n3CCNC(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC001290501804 1062295390 /nfs/dbraw/zinc/29/53/90/1062295390.db2.gz SFAZYSCCSOAGNM-UHFFFAOYSA-N 1 2 458.611 2.816 20 0 JFADLO CC(C)(O)CCn1c([C@H]2CCOC2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001287097723 1062303888 /nfs/dbraw/zinc/30/38/88/1062303888.db2.gz UPJCXMJWNTZPBR-SFHVURJKSA-N 1 2 464.010 2.797 20 0 JFADLO Cc1[nH+]ccn1CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001290522449 1062323926 /nfs/dbraw/zinc/32/39/26/1062323926.db2.gz ZCGDAXNUAVTVLB-IYBDPMFKSA-N 1 2 491.438 2.786 20 0 JFADLO CC(C)C(=O)N1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001287110374 1062324798 /nfs/dbraw/zinc/32/47/98/1062324798.db2.gz QRXMQNHTEOREIG-HXUWFJFHSA-N 1 2 489.064 2.938 20 0 JFADLO CC(C)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001290540753 1062340168 /nfs/dbraw/zinc/34/01/68/1062340168.db2.gz DWHMAJNUXKCDCR-QGZVFWFLSA-N 1 2 459.595 2.587 20 0 JFADLO Cc1ccc(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1NC(=O)NC(C)(C)C ZINC001290540950 1062340533 /nfs/dbraw/zinc/34/05/33/1062340533.db2.gz HPTQDEACTHOYNO-UHFFFAOYSA-N 1 2 450.547 2.554 20 0 JFADLO CC(C)C(=O)N[C@H]1CCCN(c2nnc(CCc3ccccc3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001287116909 1062348000 /nfs/dbraw/zinc/34/80/00/1062348000.db2.gz CDRCELJYBHUOLR-GMAHTHKFSA-N 1 2 468.646 2.525 20 0 JFADLO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccc[nH+]c2N2CCOCC2)C1 ZINC001287118250 1062354863 /nfs/dbraw/zinc/35/48/63/1062354863.db2.gz MEIKDAQOHVMKCL-OAQYLSRUSA-N 1 2 483.661 2.888 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2C[C@H](c2ccsc2)[NH+](C)C)n1 ZINC001290586342 1062396317 /nfs/dbraw/zinc/39/63/17/1062396317.db2.gz KPPSDLUTHGSNDK-QWFCFKBJSA-N 1 2 493.703 2.762 20 0 JFADLO C[C@@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)C[N@@H+]1Cc1ccccc1 ZINC001294807829 1062461720 /nfs/dbraw/zinc/46/17/20/1062461720.db2.gz WLVXQAMDQSGOIR-XMSQKQJNSA-N 1 2 450.564 2.697 20 0 JFADLO C[C@@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)C[N@H+]1Cc1ccccc1 ZINC001294807829 1062461734 /nfs/dbraw/zinc/46/17/34/1062461734.db2.gz WLVXQAMDQSGOIR-XMSQKQJNSA-N 1 2 450.564 2.697 20 0 JFADLO C[C@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)C[N@@H+]1Cc1ccccc1 ZINC001294807823 1062461767 /nfs/dbraw/zinc/46/17/67/1062461767.db2.gz WLVXQAMDQSGOIR-AVRDEDQJSA-N 1 2 450.564 2.697 20 0 JFADLO C[C@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)C[N@H+]1Cc1ccccc1 ZINC001294807823 1062461779 /nfs/dbraw/zinc/46/17/79/1062461779.db2.gz WLVXQAMDQSGOIR-AVRDEDQJSA-N 1 2 450.564 2.697 20 0 JFADLO C[C@@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)C[N@@H+]1Cc1ccccc1 ZINC001294807826 1062461802 /nfs/dbraw/zinc/46/18/02/1062461802.db2.gz WLVXQAMDQSGOIR-GCJKJVERSA-N 1 2 450.564 2.697 20 0 JFADLO C[C@@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)C[N@H+]1Cc1ccccc1 ZINC001294807826 1062461810 /nfs/dbraw/zinc/46/18/10/1062461810.db2.gz WLVXQAMDQSGOIR-GCJKJVERSA-N 1 2 450.564 2.697 20 0 JFADLO CCCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001294833332 1062522270 /nfs/dbraw/zinc/52/22/70/1062522270.db2.gz YSRLCKYIZQSKHE-UHFFFAOYSA-N 1 2 469.615 2.828 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CC[N@H+]2CCOC[C@@H]2C)n1 ZINC001290650161 1062548807 /nfs/dbraw/zinc/54/88/07/1062548807.db2.gz XWCBHVVLBZVAPV-RDPSFJRHSA-N 1 2 459.639 2.502 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N3CCO[C@](C)(C(C)(C)C)C3)n2CC[N@@H+]2CCOC[C@@H]2C)n1 ZINC001290650161 1062548831 /nfs/dbraw/zinc/54/88/31/1062548831.db2.gz XWCBHVVLBZVAPV-RDPSFJRHSA-N 1 2 459.639 2.502 20 0 JFADLO CC(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001287158548 1062551556 /nfs/dbraw/zinc/55/15/56/1062551556.db2.gz TVRAFSMXOCWWMJ-LEWJYISDSA-N 1 2 476.666 2.655 20 0 JFADLO CCCNC(=O)CCn1c(-c2cnccn2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001294852370 1062554171 /nfs/dbraw/zinc/55/41/71/1062554171.db2.gz XJXGPACUCVOUGK-UHFFFAOYSA-N 1 2 468.993 2.627 20 0 JFADLO CCCNC(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC001294861444 1062568265 /nfs/dbraw/zinc/56/82/65/1062568265.db2.gz LHGDCVRKDACHMP-QFIPXVFZSA-N 1 2 488.608 2.906 20 0 JFADLO CC(C)c1nc([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCOC[C@H]3C)CCO2)no1 ZINC001287171409 1062588210 /nfs/dbraw/zinc/58/82/10/1062588210.db2.gz WWWPGBROTNAZKQ-MSOLQXFVSA-N 1 2 461.611 2.672 20 0 JFADLO CC(C)c1nc([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC[N@H+]3CCOC[C@H]3C)CCO2)no1 ZINC001287171409 1062588228 /nfs/dbraw/zinc/58/82/28/1062588228.db2.gz WWWPGBROTNAZKQ-MSOLQXFVSA-N 1 2 461.611 2.672 20 0 JFADLO CC(C)c1ncc(CN(C)c2nnc(C(=O)N3CCCC3)n2CCCNc2cccc[nH+]2)cn1 ZINC001287171293 1062588790 /nfs/dbraw/zinc/58/87/90/1062588790.db2.gz PHDXBPRMUQTKAG-UHFFFAOYSA-N 1 2 463.590 2.961 20 0 JFADLO Cc1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1CCNC(=O)Cc1cccc(F)c1 ZINC001290713567 1062645155 /nfs/dbraw/zinc/64/51/55/1062645155.db2.gz PFHZSKSRQCODBH-OAQYLSRUSA-N 1 2 486.617 2.656 20 0 JFADLO Cc1nnc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001290714160 1062647482 /nfs/dbraw/zinc/64/74/82/1062647482.db2.gz VUCSSIWDAZOLEC-LJQANCHMSA-N 1 2 460.648 2.806 20 0 JFADLO Cc1nnc(N(CCO)Cc2ccc(Br)s2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001290746558 1062666360 /nfs/dbraw/zinc/66/63/60/1062666360.db2.gz YVZZIBUNVJFOGQ-UHFFFAOYSA-N 1 2 493.431 2.689 20 0 JFADLO CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001287214253 1062676268 /nfs/dbraw/zinc/67/62/68/1062676268.db2.gz LREKGSRZMQITKO-PMACEKPBSA-N 1 2 476.572 2.810 20 0 JFADLO CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001287214255 1062677634 /nfs/dbraw/zinc/67/76/34/1062677634.db2.gz LREKGSRZMQITKO-UXHICEINSA-N 1 2 476.572 2.810 20 0 JFADLO CC(C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCOc1ccc(F)c(F)c1 ZINC001287215348 1062684059 /nfs/dbraw/zinc/68/40/59/1062684059.db2.gz ADVMUIJQQFIWQQ-GOSISDBHSA-N 1 2 476.572 2.892 20 0 JFADLO CC(C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCOc1ccc(F)c(F)c1 ZINC001287215349 1062685082 /nfs/dbraw/zinc/68/50/82/1062685082.db2.gz ADVMUIJQQFIWQQ-SFHVURJKSA-N 1 2 476.572 2.892 20 0 JFADLO CCCOc1ccc(-c2nnc(N3CCNC(=O)[C@@H]3CC)n2Cc2c[nH+]ccc2OC)cc1OC ZINC001294940132 1062724524 /nfs/dbraw/zinc/72/45/24/1062724524.db2.gz MKPFMBHXNCACJR-IBGZPJMESA-N 1 2 480.569 2.909 20 0 JFADLO C[C@@H]1CCN(C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)C[C@H]1n1cc[nH+]c1 ZINC001294952133 1062737897 /nfs/dbraw/zinc/73/78/97/1062737897.db2.gz AIYIZTZKNYZANZ-DNVCBOLYSA-N 1 2 458.360 2.826 20 0 JFADLO Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCc1cc(Br)ccc1F ZINC001290858629 1062742770 /nfs/dbraw/zinc/74/27/70/1062742770.db2.gz WJRLARMPOLRMBP-INIZCTEOSA-N 1 2 493.425 2.864 20 0 JFADLO CC(C)[C@@H]1OCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001287299089 1062772311 /nfs/dbraw/zinc/77/23/11/1062772311.db2.gz MQGQCPHYXLBWTC-PXNSSMCTSA-N 1 2 495.466 2.876 20 0 JFADLO CCCS(=O)(=O)NC1CCN(c2nnc([C@H]3CCCOC3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001295014697 1062804896 /nfs/dbraw/zinc/80/48/96/1062804896.db2.gz FXPUKCFELWCFJZ-FQEVSTJZSA-N 1 2 490.674 2.807 20 0 JFADLO Cc1noc(C)c1Cn1c(CC(C)(C)C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001290936728 1062812311 /nfs/dbraw/zinc/81/23/11/1062812311.db2.gz LTOMMUAPHZWTMB-SFHVURJKSA-N 1 2 457.623 2.653 20 0 JFADLO CCCS(=O)(=O)NC1CCN(c2nnc(Cc3ccsc3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001295020458 1062821180 /nfs/dbraw/zinc/82/11/80/1062821180.db2.gz CJMHNQUKJRLDAS-UHFFFAOYSA-N 1 2 490.655 2.681 20 0 JFADLO CCCS(=O)(=O)NC1CCN(c2nnc(CC)n2Cc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC001295023521 1062827746 /nfs/dbraw/zinc/82/77/46/1062827746.db2.gz WUAITNFZRFPBIP-UHFFFAOYSA-N 1 2 475.663 2.572 20 0 JFADLO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c2ccccc2O1 ZINC001295027045 1062831427 /nfs/dbraw/zinc/83/14/27/1062831427.db2.gz AMYYSVQTKALZOI-MRXNPFEDSA-N 1 2 458.565 2.913 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc(CNC(=O)c4cccs4)n3CCC(C)(F)F)CC2)on1 ZINC001290969524 1062842567 /nfs/dbraw/zinc/84/25/67/1062842567.db2.gz FXZRQOBPGSOQSD-UHFFFAOYSA-N 1 2 479.557 2.934 20 0 JFADLO CC[C@@H](C)NC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)cc1 ZINC001290970682 1062846323 /nfs/dbraw/zinc/84/63/23/1062846323.db2.gz DZROXKOQXKUUCP-VGSWGCGISA-N 1 2 453.587 2.862 20 0 JFADLO CC[C@@H](C)NC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)cc1 ZINC001290970682 1062846358 /nfs/dbraw/zinc/84/63/58/1062846358.db2.gz DZROXKOQXKUUCP-VGSWGCGISA-N 1 2 453.587 2.862 20 0 JFADLO CC(C)Cc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001287413339 1062852291 /nfs/dbraw/zinc/85/22/91/1062852291.db2.gz HNBGCCWOLKHPON-HXUWFJFHSA-N 1 2 498.644 2.918 20 0 JFADLO CCN(C)C(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001295055066 1062859420 /nfs/dbraw/zinc/85/94/20/1062859420.db2.gz GDQDBLYVUMQMSK-GOSISDBHSA-N 1 2 467.549 2.757 20 0 JFADLO CC(C)Cc1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001287422233 1062862501 /nfs/dbraw/zinc/86/25/01/1062862501.db2.gz VRKVGJWJUXVFLV-IBGZPJMESA-N 1 2 472.609 2.735 20 0 JFADLO CC(C)Cc1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001287422233 1062862526 /nfs/dbraw/zinc/86/25/26/1062862526.db2.gz VRKVGJWJUXVFLV-IBGZPJMESA-N 1 2 472.609 2.735 20 0 JFADLO C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2ccccn2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001290980735 1062865448 /nfs/dbraw/zinc/86/54/48/1062865448.db2.gz OAQVZSHKUBLOJN-OXJNMPFZSA-N 1 2 469.540 2.512 20 0 JFADLO CC(C)NC(=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001290997365 1062889241 /nfs/dbraw/zinc/88/92/41/1062889241.db2.gz CGVBPJAUUKFRBM-CEXWTWQISA-N 1 2 455.607 2.567 20 0 JFADLO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001287463689 1062906485 /nfs/dbraw/zinc/90/64/85/1062906485.db2.gz DBUCDSHTXGRWCF-LJQANCHMSA-N 1 2 462.639 2.787 20 0 JFADLO CCN(C)C(=O)Cn1c(Cc2ccncc2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001295078669 1062906793 /nfs/dbraw/zinc/90/67/93/1062906793.db2.gz PESDZPRZGKFSLC-UHFFFAOYSA-N 1 2 468.005 2.718 20 0 JFADLO CC(C)Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@H]1CCO[C@H]1C(C)C ZINC001287465526 1062911959 /nfs/dbraw/zinc/91/19/59/1062911959.db2.gz MFFIZBHHUZFFAT-XPNTWCBSSA-N 1 2 460.667 2.671 20 0 JFADLO CC(C)Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CC(F)(F)Br ZINC001287465833 1062913625 /nfs/dbraw/zinc/91/36/25/1062913625.db2.gz QDJMCCPIDUVQPU-OAHLLOKOSA-N 1 2 477.398 2.597 20 0 JFADLO CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001295102147 1062931700 /nfs/dbraw/zinc/93/17/00/1062931700.db2.gz YMVKBNDGXHPPSQ-MRXNPFEDSA-N 1 2 452.563 2.919 20 0 JFADLO CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001295102147 1062931723 /nfs/dbraw/zinc/93/17/23/1062931723.db2.gz YMVKBNDGXHPPSQ-MRXNPFEDSA-N 1 2 452.563 2.919 20 0 JFADLO C[C@@H]1C[C@@H](CCn2c(COc3ccccc3F)nnc2N(C)CC[NH+]2CCOCC2)CCO1 ZINC001291020703 1062936831 /nfs/dbraw/zinc/93/68/31/1062936831.db2.gz JMCXVNCVTVLQMR-UXHICEINSA-N 1 2 461.582 2.970 20 0 JFADLO C[C@@H]1C[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC[NH+]2CCOCC2)CCO1 ZINC001291022795 1062942708 /nfs/dbraw/zinc/94/27/08/1062942708.db2.gz LOYWGZCGLVJSJA-HZPDHXFCSA-N 1 2 467.412 2.619 20 0 JFADLO CC(C)CC[C@](C)(O)Cn1c(-c2ccccc2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001287534081 1062969850 /nfs/dbraw/zinc/96/98/50/1062969850.db2.gz XFAUHHQBFBOJDF-FNZWTVRRSA-N 1 2 468.646 2.921 20 0 JFADLO CSC[C@H](C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001295168639 1062992185 /nfs/dbraw/zinc/99/21/85/1062992185.db2.gz IMRSCWAROBKOEZ-SLFFLAALSA-N 1 2 458.628 2.985 20 0 JFADLO CCN(c1nnc(-c2ccccc2C)n1C[C@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 ZINC001295180688 1063003282 /nfs/dbraw/zinc/00/32/82/1063003282.db2.gz ZYRNTOHXAPHGHY-LEWJYISDSA-N 1 2 475.659 2.624 20 0 JFADLO CCN(c1nnc(-c2ccccc2C)n1C[C@H]1C[N@@H+](CC(C)C)CCO1)[C@H]1CCS(=O)(=O)C1 ZINC001295180688 1063003306 /nfs/dbraw/zinc/00/33/06/1063003306.db2.gz ZYRNTOHXAPHGHY-LEWJYISDSA-N 1 2 475.659 2.624 20 0 JFADLO CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C)C(C)C ZINC001295220366 1063039556 /nfs/dbraw/zinc/03/95/56/1063039556.db2.gz XQJXXPQAUWXLAY-MOPGFXCFSA-N 1 2 466.627 2.542 20 0 JFADLO CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C)C(C)C ZINC001295220366 1063039573 /nfs/dbraw/zinc/03/95/73/1063039573.db2.gz XQJXXPQAUWXLAY-MOPGFXCFSA-N 1 2 466.627 2.542 20 0 JFADLO CC(C)NC(=O)c1nnc(N2CCCC[C@H](C)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001291090513 1063050336 /nfs/dbraw/zinc/05/03/36/1063050336.db2.gz XNMBMAIJCGXJSU-UNMCSNQZSA-N 1 2 454.619 2.944 20 0 JFADLO CC(C)NC(=O)c1nnc(N2CCCC[C@H](C)C2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001291090513 1063050358 /nfs/dbraw/zinc/05/03/58/1063050358.db2.gz XNMBMAIJCGXJSU-UNMCSNQZSA-N 1 2 454.619 2.944 20 0 JFADLO CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCS(=O)(=O)c2ccccc2)CC1 ZINC001287770076 1063097105 /nfs/dbraw/zinc/09/71/05/1063097105.db2.gz OJIBNBJKLSBZSA-OAQYLSRUSA-N 1 2 475.659 2.814 20 0 JFADLO CCN(C1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(N(C)C)[nH+]c2)CC1)S(C)(=O)=O ZINC001295272871 1063098616 /nfs/dbraw/zinc/09/86/16/1063098616.db2.gz FMTNUDFRWSYUIO-UHFFFAOYSA-N 1 2 477.679 2.626 20 0 JFADLO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(-c2ccc(C)o2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001295291734 1063136911 /nfs/dbraw/zinc/13/69/11/1063136911.db2.gz GCYXYDZLRFPBSO-HSZRJFAPSA-N 1 2 480.613 2.879 20 0 JFADLO CC1CCN(c2ccc(Cn3c(CC(C)(C)C)nnc3N3CCS(=O)(=O)CC3)c[nH+]2)CC1 ZINC001291146166 1063230332 /nfs/dbraw/zinc/23/03/32/1063230332.db2.gz YLSXMIJEHMEMGE-UHFFFAOYSA-N 1 2 460.648 2.781 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2snnc2C)CC1 ZINC001295334908 1063244263 /nfs/dbraw/zinc/24/42/63/1063244263.db2.gz ISWQYMMTPDXIBT-UHFFFAOYSA-N 1 2 489.049 2.797 20 0 JFADLO C[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001291165703 1063250194 /nfs/dbraw/zinc/25/01/94/1063250194.db2.gz PAZRAGSTSGYKLZ-OALUTQOASA-N 1 2 462.639 2.960 20 0 JFADLO C[C@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001291165703 1063250227 /nfs/dbraw/zinc/25/02/27/1063250227.db2.gz PAZRAGSTSGYKLZ-OALUTQOASA-N 1 2 462.639 2.960 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCOC2)CC1 ZINC001295335159 1063250490 /nfs/dbraw/zinc/25/04/90/1063250490.db2.gz MTHXZBBXJOGHNQ-GOSISDBHSA-N 1 2 461.010 2.625 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2occc2C)CC1 ZINC001295335170 1063250588 /nfs/dbraw/zinc/25/05/88/1063250588.db2.gz NCGNXUOMAFWXNB-UHFFFAOYSA-N 1 2 496.612 2.902 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCC=CO2)CC1 ZINC001295335983 1063255071 /nfs/dbraw/zinc/25/50/71/1063255071.db2.gz KJNSALXEPZTSBG-HXUWFJFHSA-N 1 2 468.602 2.637 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)COC)CC1 ZINC001295336182 1063256448 /nfs/dbraw/zinc/25/64/48/1063256448.db2.gz NTAYKMGOQSCCBM-GOSISDBHSA-N 1 2 463.026 2.871 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc4cccnc43)n2C[C@@H](C)OC)CC1 ZINC001295336247 1063257240 /nfs/dbraw/zinc/25/72/40/1063257240.db2.gz OGYSFYKGPCLLHF-LJQANCHMSA-N 1 2 465.602 2.519 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccnc3)n2CCOc2ccccc2C)CC1 ZINC001295336485 1063258255 /nfs/dbraw/zinc/25/82/55/1063258255.db2.gz RIXQDLOGXONOQF-UHFFFAOYSA-N 1 2 477.613 2.718 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2Cc2cc(C)nn2C)CC1 ZINC001295336677 1063259368 /nfs/dbraw/zinc/25/93/68/1063259368.db2.gz VQKNJUKWAFHESF-UHFFFAOYSA-N 1 2 485.036 2.679 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(F)cc2)CC1 ZINC001295336652 1063259410 /nfs/dbraw/zinc/25/94/10/1063259410.db2.gz UTAPYYMBFMWHFR-UHFFFAOYSA-N 1 2 451.550 2.518 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(CSC)c2)CC1 ZINC001295337376 1063262588 /nfs/dbraw/zinc/26/25/88/1063262588.db2.gz FZVDVMRGKQXNLN-UHFFFAOYSA-N 1 2 496.685 2.580 20 0 JFADLO CCN(CC)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](c3ccnn3C)C2)c[nH+]1 ZINC001295411156 1063406741 /nfs/dbraw/zinc/40/67/41/1063406741.db2.gz QQDDPSUAIVKBEZ-HXUWFJFHSA-N 1 2 479.633 2.823 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C(F)(F)F)C2)c[nH+]1 ZINC001295414997 1063417970 /nfs/dbraw/zinc/41/79/70/1063417970.db2.gz MHGIJYQYAPMKBL-KRWDZBQOSA-N 1 2 462.480 2.792 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)S[C@H](C)C2)c[nH+]1 ZINC001295419838 1063429283 /nfs/dbraw/zinc/42/92/83/1063429283.db2.gz JUVWYBGSYBMZHK-ZHALLVOQSA-N 1 2 478.688 2.800 20 0 JFADLO CCN(CC)c1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@H](C)S[C@@H](C)C2)c[nH+]1 ZINC001295419834 1063429313 /nfs/dbraw/zinc/42/93/13/1063429313.db2.gz JUVWYBGSYBMZHK-JENIJYKNSA-N 1 2 478.688 2.800 20 0 JFADLO CCN(CC)c1ccc(Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)c[nH+]1 ZINC001295420691 1063434948 /nfs/dbraw/zinc/43/49/48/1063434948.db2.gz WNTZXZYJNIYLGQ-HXUWFJFHSA-N 1 2 465.577 2.999 20 0 JFADLO C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001291246421 1063519185 /nfs/dbraw/zinc/51/91/85/1063519185.db2.gz PONBXPKQOVCQCX-ZRNYENFQSA-N 1 2 478.638 2.590 20 0 JFADLO CCN(Cc1ccc(OC)cc1OC)c1nnc([C@H]2CCCOC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001295605682 1063652295 /nfs/dbraw/zinc/65/22/95/1063652295.db2.gz PUUUWRCNVIKYJR-FPOVZHCZSA-N 1 2 473.618 2.937 20 0 JFADLO CCN(Cc1ccc(OC)cc1OC)c1nnc([C@H]2CCCO2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001295606904 1063654201 /nfs/dbraw/zinc/65/42/01/1063654201.db2.gz DKHPYMWIEOTBJZ-WIYYLYMNSA-N 1 2 459.591 2.894 20 0 JFADLO CCN(Cc1ccc2c(c1)OCO2)c1nnc(CC(C)(C)C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001295608558 1063657895 /nfs/dbraw/zinc/65/78/95/1063657895.db2.gz BUCWDRHCWIZJAL-UHFFFAOYSA-N 1 2 470.618 2.786 20 0 JFADLO CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001295609261 1063659154 /nfs/dbraw/zinc/65/91/54/1063659154.db2.gz KMGNPWFSHJXLSX-XMMPIXPASA-N 1 2 472.659 2.651 20 0 JFADLO C[C@@H]1C[NH+](CCCn2c(-c3ccccc3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C[C@@H](C)O1 ZINC001291289884 1063660474 /nfs/dbraw/zinc/66/04/74/1063660474.db2.gz RHYZUYNMEKOEIU-KCZVDYSFSA-N 1 2 475.659 2.848 20 0 JFADLO C[C@@H]1C[NH+](CCCn2c(-c3ccccc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C[C@@H](C)O1 ZINC001291289886 1063660509 /nfs/dbraw/zinc/66/05/09/1063660509.db2.gz RHYZUYNMEKOEIU-SJBKTWHCSA-N 1 2 475.659 2.848 20 0 JFADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(Cc2c(F)cccc2F)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291292266 1063674912 /nfs/dbraw/zinc/67/49/12/1063674912.db2.gz BORHPBPPZVBBJD-OKZBNKHCSA-N 1 2 499.628 2.516 20 0 JFADLO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(Cc2c(F)cccc2F)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291292266 1063674924 /nfs/dbraw/zinc/67/49/24/1063674924.db2.gz BORHPBPPZVBBJD-OKZBNKHCSA-N 1 2 499.628 2.516 20 0 JFADLO C[C@H]1COCCN1c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001291301555 1063709654 /nfs/dbraw/zinc/70/96/54/1063709654.db2.gz FQTCKOURUFHTCM-AWEZNQCLSA-N 1 2 460.380 2.781 20 0 JFADLO CCN(CC1CC1)c1nnc(COc2ccc(Cl)cc2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001295696324 1063724115 /nfs/dbraw/zinc/72/41/15/1063724115.db2.gz RVZHIFCROMENIC-UHFFFAOYSA-N 1 2 461.010 2.911 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(Cc2cccnc2)nnc1N(C)CCOc1ccccc1F ZINC001291307894 1063726357 /nfs/dbraw/zinc/72/63/57/1063726357.db2.gz CVVACZOEAXLHAD-LJQANCHMSA-N 1 2 454.550 2.639 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(Cc2cccnc2)nnc1N(C)CCOc1ccccc1F ZINC001291307894 1063726366 /nfs/dbraw/zinc/72/63/66/1063726366.db2.gz CVVACZOEAXLHAD-LJQANCHMSA-N 1 2 454.550 2.639 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC=CCC1 ZINC001291308062 1063727407 /nfs/dbraw/zinc/72/74/07/1063727407.db2.gz GOWPGBYUQTUCAO-UXHICEINSA-N 1 2 460.623 2.880 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC=CCC1 ZINC001291308062 1063727428 /nfs/dbraw/zinc/72/74/28/1063727428.db2.gz GOWPGBYUQTUCAO-UXHICEINSA-N 1 2 460.623 2.880 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(C2CCC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001291308209 1063728149 /nfs/dbraw/zinc/72/81/49/1063728149.db2.gz JRNBUEYELRYCCZ-RBUKOAKNSA-N 1 2 462.639 2.960 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(C2CCC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001291308209 1063728167 /nfs/dbraw/zinc/72/81/67/1063728167.db2.gz JRNBUEYELRYCCZ-RBUKOAKNSA-N 1 2 462.639 2.960 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCCOC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001291308685 1063731205 /nfs/dbraw/zinc/73/12/05/1063731205.db2.gz QVCURAXEKIWTBH-CTNGQTDRSA-N 1 2 492.665 2.634 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCCOC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001291308685 1063731221 /nfs/dbraw/zinc/73/12/21/1063731221.db2.gz QVCURAXEKIWTBH-CTNGQTDRSA-N 1 2 492.665 2.634 20 0 JFADLO CCN(CC1CCC1)c1nnc(COc2cccc(C)c2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001295712974 1063731372 /nfs/dbraw/zinc/73/13/72/1063731372.db2.gz YCMRZVMYHSYQME-UHFFFAOYSA-N 1 2 454.619 2.956 20 0 JFADLO C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC[N@@H+]2CCOC[C@H]2C)CCN1C(=O)OC(C)(C)C ZINC001291308776 1063731984 /nfs/dbraw/zinc/73/19/84/1063731984.db2.gz SKVWLSJVMBSAFE-AQNXPRMDSA-N 1 2 478.638 2.686 20 0 JFADLO C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC[N@H+]2CCOC[C@H]2C)CCN1C(=O)OC(C)(C)C ZINC001291308776 1063731991 /nfs/dbraw/zinc/73/19/91/1063731991.db2.gz SKVWLSJVMBSAFE-AQNXPRMDSA-N 1 2 478.638 2.686 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)c2ccccc2)CC1 ZINC001291309068 1063732749 /nfs/dbraw/zinc/73/27/49/1063732749.db2.gz XXJUGSIZFUXDNE-OAQYLSRUSA-N 1 2 468.646 2.940 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)c2ccccc2)CC1 ZINC001291309068 1063732765 /nfs/dbraw/zinc/73/27/65/1063732765.db2.gz XXJUGSIZFUXDNE-OAQYLSRUSA-N 1 2 468.646 2.940 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(CC2CCCC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001291309257 1063733428 /nfs/dbraw/zinc/73/34/28/1063733428.db2.gz CCZMYIOSJDJDMP-KRWDZBQOSA-N 1 2 486.583 2.626 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(CC2CCCC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001291309257 1063733437 /nfs/dbraw/zinc/73/34/37/1063733437.db2.gz CCZMYIOSJDJDMP-KRWDZBQOSA-N 1 2 486.583 2.626 20 0 JFADLO CCN(C[C@H]1CCCO1)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001295721444 1063736156 /nfs/dbraw/zinc/73/61/56/1063736156.db2.gz GUIAPPAJUORIHC-HYBUGGRVSA-N 1 2 458.607 2.833 20 0 JFADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C(C)(C)C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001291310113 1063738806 /nfs/dbraw/zinc/73/88/06/1063738806.db2.gz UAPDTBNASADAPM-ROUUACIJSA-N 1 2 463.648 2.897 20 0 JFADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C(C)(C)C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001291310113 1063738821 /nfs/dbraw/zinc/73/88/21/1063738821.db2.gz UAPDTBNASADAPM-ROUUACIJSA-N 1 2 463.648 2.897 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(CCOc2ccccc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001291310260 1063739545 /nfs/dbraw/zinc/73/95/45/1063739545.db2.gz WZQMTSMXPAQFJW-SFHVURJKSA-N 1 2 483.535 2.514 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(CCOc2ccccc2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001291310260 1063739556 /nfs/dbraw/zinc/73/95/56/1063739556.db2.gz WZQMTSMXPAQFJW-SFHVURJKSA-N 1 2 483.535 2.514 20 0 JFADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)C[C@@H]1C ZINC001295741228 1063748996 /nfs/dbraw/zinc/74/89/96/1063748996.db2.gz YEADVSNRAVCOSJ-SFHVURJKSA-N 1 2 459.568 2.505 20 0 JFADLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)C[C@@H]1C ZINC001295741228 1063749012 /nfs/dbraw/zinc/74/90/12/1063749012.db2.gz YEADVSNRAVCOSJ-SFHVURJKSA-N 1 2 459.568 2.505 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)C(C)(C)C ZINC001295747419 1063752576 /nfs/dbraw/zinc/75/25/76/1063752576.db2.gz BWVUYNVTFPMCGH-HXUWFJFHSA-N 1 2 496.660 2.529 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)C(C)(C)C ZINC001295747418 1063752601 /nfs/dbraw/zinc/75/26/01/1063752601.db2.gz BWVUYNVTFPMCGH-FQEVSTJZSA-N 1 2 496.660 2.529 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(-c2cnn(C)c2)n1CC[S@](=O)CC ZINC001295750799 1063757448 /nfs/dbraw/zinc/75/74/48/1063757448.db2.gz WHSYCOQFMRIDTQ-MGBGTMOVSA-N 1 2 470.647 2.585 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CC(F)(F)CO1 ZINC001295750289 1063757527 /nfs/dbraw/zinc/75/75/27/1063757527.db2.gz VXVXTTCAEUMXSP-LJQANCHMSA-N 1 2 491.587 2.978 20 0 JFADLO O=Cc1ccc(OCCn2cc(C(=O)NCc3ccccc3-n3cc[nH+]c3)nn2)c(Cl)c1 ZINC001295779781 1063786042 /nfs/dbraw/zinc/78/60/42/1063786042.db2.gz DGEDUGYCTVYLLQ-UHFFFAOYSA-N 1 2 450.886 2.939 20 0 JFADLO CCC(=O)N[C@@H]1CCCN(c2nnc(CCCc3ccccc3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001291346470 1063844911 /nfs/dbraw/zinc/84/49/11/1063844911.db2.gz SATNMDCXINWKAO-JTHBVZDNSA-N 1 2 468.646 2.669 20 0 JFADLO CC[N@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC(C)(C)C1)CCC(F)(F)F ZINC001295857605 1063888533 /nfs/dbraw/zinc/88/85/33/1063888533.db2.gz UDTBVGIKGRGXCU-HNNXBMFYSA-N 1 2 483.626 2.786 20 0 JFADLO CC[N@@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC(C)(C)C1)CCC(F)(F)F ZINC001295857605 1063888544 /nfs/dbraw/zinc/88/85/44/1063888544.db2.gz UDTBVGIKGRGXCU-HNNXBMFYSA-N 1 2 483.626 2.786 20 0 JFADLO CCS(=O)(=O)Nc1cccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c1 ZINC001295868134 1063903785 /nfs/dbraw/zinc/90/37/85/1063903785.db2.gz WUOKUXCCYRURHU-UXHICEINSA-N 1 2 451.976 2.903 20 0 JFADLO CCS(=O)(=O)Nc1cccc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c1 ZINC001295868134 1063903797 /nfs/dbraw/zinc/90/37/97/1063903797.db2.gz WUOKUXCCYRURHU-UXHICEINSA-N 1 2 451.976 2.903 20 0 JFADLO CC[N@H+](CCn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1C(C)(C)C)CCC(F)(F)F ZINC001295868771 1063905735 /nfs/dbraw/zinc/90/57/35/1063905735.db2.gz XBGCIJZCMNFMQP-HNNXBMFYSA-N 1 2 453.575 2.863 20 0 JFADLO CC[N@@H+](CCn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1C(C)(C)C)CCC(F)(F)F ZINC001295868771 1063905746 /nfs/dbraw/zinc/90/57/46/1063905746.db2.gz XBGCIJZCMNFMQP-HNNXBMFYSA-N 1 2 453.575 2.863 20 0 JFADLO CC[C@H](C)[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001291382113 1063922644 /nfs/dbraw/zinc/92/26/44/1063922644.db2.gz RYBUSMPRGBDVPF-AFMDSPMNSA-N 1 2 498.676 2.860 20 0 JFADLO CC[C@@H](C)[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001291382115 1063922780 /nfs/dbraw/zinc/92/27/80/1063922780.db2.gz RYBUSMPRGBDVPF-NIYFSFCBSA-N 1 2 498.676 2.860 20 0 JFADLO CCN(CCS(C)(=O)=O)c1nnc(Cn2ccc3ccccc32)n1Cc1c[nH+]ccc1OC ZINC001295886424 1063933755 /nfs/dbraw/zinc/93/37/55/1063933755.db2.gz QYMXQUQATXTEDT-UHFFFAOYSA-N 1 2 468.583 2.604 20 0 JFADLO CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC001291387074 1063934950 /nfs/dbraw/zinc/93/49/50/1063934950.db2.gz GQXBBRWWMXQFBF-JIPXPUAJSA-N 1 2 498.672 2.885 20 0 JFADLO CC[C@H](C)[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001291394849 1063949802 /nfs/dbraw/zinc/94/98/02/1063949802.db2.gz CNUORASYYDNVHW-MVIPISOYSA-N 1 2 484.649 2.575 20 0 JFADLO CC[C@@H](C)[C@@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001291396725 1063952309 /nfs/dbraw/zinc/95/23/09/1063952309.db2.gz BBPYNIREYMRYMX-OSPHWJPCSA-N 1 2 469.638 2.667 20 0 JFADLO CCn1cc(CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)cn1 ZINC001295913326 1063965921 /nfs/dbraw/zinc/96/59/21/1063965921.db2.gz CGPPQHIGFFWLKW-RBUKOAKNSA-N 1 2 472.544 2.663 20 0 JFADLO CC[C@@H](C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1)OC ZINC001291407742 1063980405 /nfs/dbraw/zinc/98/04/05/1063980405.db2.gz OIAJPMMVSWOBQY-YLJYHZDGSA-N 1 2 475.663 2.662 20 0 JFADLO CC[C@@H](C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1)OC ZINC001291407741 1063980417 /nfs/dbraw/zinc/98/04/17/1063980417.db2.gz OIAJPMMVSWOBQY-XLIONFOSSA-N 1 2 475.663 2.662 20 0 JFADLO CC[C@@H](C)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)OC ZINC001291421824 1064002232 /nfs/dbraw/zinc/00/22/32/1064002232.db2.gz PYGWDICAJUYMPZ-NQIIRXRSSA-N 1 2 450.591 2.750 20 0 JFADLO CC[C@H](C)c1nnc(N(C)C[C@@H]2CN(CC)c3ccccc3O2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291453365 1064021009 /nfs/dbraw/zinc/02/10/09/1064021009.db2.gz HTGKQWNRWLYJLD-RBBKRZOGSA-N 1 2 483.661 2.679 20 0 JFADLO CC[C@H](C)c1nnc(N2C[C@H](C(=O)NCCOC)CC[C@H]2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001291468081 1064029381 /nfs/dbraw/zinc/02/93/81/1064029381.db2.gz HHXSWQHOBMQCRZ-NLWGTHIKSA-N 1 2 457.623 2.668 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC(C(=O)OC)CC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001291484735 1064041413 /nfs/dbraw/zinc/04/14/13/1064041413.db2.gz DKDHWDNDVQLCAA-ROUUACIJSA-N 1 2 456.591 2.849 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CCOC)CCCC2)C[C@@H]1C ZINC001295993249 1064048440 /nfs/dbraw/zinc/04/84/40/1064048440.db2.gz CHIVJNITOLDLMC-UFYCRDLUSA-N 1 2 467.680 2.696 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CCOC)CCCC2)C[C@@H]1C ZINC001295993249 1064048448 /nfs/dbraw/zinc/04/84/48/1064048448.db2.gz CHIVJNITOLDLMC-UFYCRDLUSA-N 1 2 467.680 2.696 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2ccc(C)cc2)C[C@H]1C ZINC001295995324 1064051095 /nfs/dbraw/zinc/05/10/95/1064051095.db2.gz IHKJMSLGVPCXMB-IVAOSVALSA-N 1 2 475.659 2.875 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2ccc(C)cc2)C[C@H]1C ZINC001295995324 1064051104 /nfs/dbraw/zinc/05/11/04/1064051104.db2.gz IHKJMSLGVPCXMB-IVAOSVALSA-N 1 2 475.659 2.875 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC(F)F)cc2)C[C@@H]1C ZINC001295996458 1064052781 /nfs/dbraw/zinc/05/27/81/1064052781.db2.gz LCOZGRAQWUVJKV-BQFCYCMXSA-N 1 2 483.585 2.749 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC(F)F)cc2)C[C@@H]1C ZINC001295996458 1064052789 /nfs/dbraw/zinc/05/27/89/1064052789.db2.gz LCOZGRAQWUVJKV-BQFCYCMXSA-N 1 2 483.585 2.749 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(C)c(OC)c2)C[C@@H]1C ZINC001295998084 1064054686 /nfs/dbraw/zinc/05/46/86/1064054686.db2.gz SVJPPJRZXQKGJX-ZJOUEHCJSA-N 1 2 475.659 2.659 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(C)c(OC)c2)C[C@@H]1C ZINC001295998084 1064054694 /nfs/dbraw/zinc/05/46/94/1064054694.db2.gz SVJPPJRZXQKGJX-ZJOUEHCJSA-N 1 2 475.659 2.659 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001296009243 1064063988 /nfs/dbraw/zinc/06/39/88/1064063988.db2.gz FHPDEYNNWHSFHR-QHAWAJNXSA-N 1 2 475.659 2.828 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001296009243 1064063999 /nfs/dbraw/zinc/06/39/99/1064063999.db2.gz FHPDEYNNWHSFHR-QHAWAJNXSA-N 1 2 475.659 2.828 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3ccc4ccccc43)n2CCS(=O)(=O)CC)C[C@@H]1C ZINC001296010718 1064069165 /nfs/dbraw/zinc/06/91/65/1064069165.db2.gz RVUFXGWEAYIKLK-OALUTQOASA-N 1 2 458.632 2.635 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc(Cn3ccc4ccccc43)n2CCS(=O)(=O)CC)C[C@@H]1C ZINC001296010718 1064069173 /nfs/dbraw/zinc/06/91/73/1064069173.db2.gz RVUFXGWEAYIKLK-OALUTQOASA-N 1 2 458.632 2.635 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC[C@@H](OCCOC)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001291544695 1064088802 /nfs/dbraw/zinc/08/88/02/1064088802.db2.gz SUFACJSFZCLVBC-PZJWPPBQSA-N 1 2 458.607 2.703 20 0 JFADLO CC[C@H](C)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001291560864 1064092824 /nfs/dbraw/zinc/09/28/24/1064092824.db2.gz SOMKBWOLHNOSNC-XUVXKRRUSA-N 1 2 455.669 2.552 20 0 JFADLO CC[C@H](C)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001291560864 1064092830 /nfs/dbraw/zinc/09/28/30/1064092830.db2.gz SOMKBWOLHNOSNC-XUVXKRRUSA-N 1 2 455.669 2.552 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001291593032 1064127850 /nfs/dbraw/zinc/12/78/50/1064127850.db2.gz OQYXLVCPJUMNGM-WMZHIEFXSA-N 1 2 476.629 2.650 20 0 JFADLO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1CCCNC(=O)c1cccc(O)c1 ZINC001291628063 1064169627 /nfs/dbraw/zinc/16/96/27/1064169627.db2.gz HFVRTAPMUDIEDF-GOSISDBHSA-N 1 2 481.601 2.936 20 0 JFADLO CCN1CCCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(N3CCCCCC3)[nH+]c2)CC1=O ZINC001296102218 1064177575 /nfs/dbraw/zinc/17/75/75/1064177575.db2.gz YDZNGIWHKZFHRU-OAQYLSRUSA-N 1 2 499.660 2.884 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001291632154 1064180651 /nfs/dbraw/zinc/18/06/51/1064180651.db2.gz SDYAJCFYDLMTRO-IRXDYDNUSA-N 1 2 481.571 2.977 20 0 JFADLO CC[C@H](C)c1nnc(N2CCN(CC(F)(F)F)CC2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001291632154 1064180654 /nfs/dbraw/zinc/18/06/54/1064180654.db2.gz SDYAJCFYDLMTRO-IRXDYDNUSA-N 1 2 481.571 2.977 20 0 JFADLO CCN1CCCN(c2nnc(-c3cccn3C)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1=O ZINC001296105917 1064184532 /nfs/dbraw/zinc/18/45/32/1064184532.db2.gz OIKPFTZDBLLAGU-HXUWFJFHSA-N 1 2 471.556 2.923 20 0 JFADLO CC[C@H](C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1C[C@@H](OC)C(C)C ZINC001291639053 1064186848 /nfs/dbraw/zinc/18/68/48/1064186848.db2.gz LFXHMJMKPFFHBJ-FDFHNCONSA-N 1 2 450.672 2.694 20 0 JFADLO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1Cc1ccc(F)cn1 ZINC001291639558 1064187605 /nfs/dbraw/zinc/18/76/05/1064187605.db2.gz NLSJTUFCMBPNKG-DENIHFKCSA-N 1 2 459.614 2.605 20 0 JFADLO CC[C@H](C)c1nnc(N2CCO[C@H](c3cccc(OC)c3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291661775 1064209252 /nfs/dbraw/zinc/20/92/52/1064209252.db2.gz ISKOCTISYWBIPL-CVDCTZTESA-N 1 2 470.618 2.542 20 0 JFADLO CC[C@H](C)c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001291666138 1064210946 /nfs/dbraw/zinc/21/09/46/1064210946.db2.gz ACZLXDQPXYPFLN-UGKGYDQZSA-N 1 2 469.634 2.813 20 0 JFADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccccc3OC)nnc2N2CCO[C@@](C)(CC)C2)CC1 ZINC001296132244 1064228825 /nfs/dbraw/zinc/22/88/25/1064228825.db2.gz AAQWDLWRWQZXBR-LVXARBLLSA-N 1 2 486.661 2.897 20 0 JFADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCOC[C@H]2C)CC1 ZINC001296133582 1064234003 /nfs/dbraw/zinc/23/40/03/1064234003.db2.gz JBPJPTNZABPUDU-RTBURBONSA-N 1 2 463.026 2.762 20 0 JFADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)C[C@H]2CCOC2)CC1 ZINC001296133884 1064234865 /nfs/dbraw/zinc/23/48/65/1064234865.db2.gz LFUIVPHROTZRNH-XZOQPEGZSA-N 1 2 470.662 2.973 20 0 JFADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001296134782 1064236635 /nfs/dbraw/zinc/23/66/35/1064236635.db2.gz QIUPWIZVEXXFRY-FCHUYYIVSA-N 1 2 456.635 2.807 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001296141506 1064247578 /nfs/dbraw/zinc/24/75/78/1064247578.db2.gz DBQKXDNROCTQLY-MRXNPFEDSA-N 1 2 483.585 2.902 20 0 JFADLO CC[N@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(CS(C)(=O)=O)CC2)C[C@H]1C ZINC001296141506 1064247583 /nfs/dbraw/zinc/24/75/83/1064247583.db2.gz DBQKXDNROCTQLY-MRXNPFEDSA-N 1 2 483.585 2.902 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001296143246 1064252017 /nfs/dbraw/zinc/25/20/17/1064252017.db2.gz GWEFPOMCTRUKAG-WOJBJXKFSA-N 1 2 488.658 2.502 20 0 JFADLO CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001296143246 1064252025 /nfs/dbraw/zinc/25/20/25/1064252025.db2.gz GWEFPOMCTRUKAG-WOJBJXKFSA-N 1 2 488.658 2.502 20 0 JFADLO CC[C@@H](C)NC(=O)c1cccc(Cn2c(-c3cccc(C)n3)nnc2N(C)CC[NH+]2CCOCC2)c1 ZINC001291791071 1064287220 /nfs/dbraw/zinc/28/72/20/1064287220.db2.gz FCUTUXQYGNCGAQ-HXUWFJFHSA-N 1 2 491.640 2.994 20 0 JFADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(C)cc3SC)C2)CC1 ZINC001296173118 1064294686 /nfs/dbraw/zinc/29/46/86/1064294686.db2.gz BPOQYBLBSYTYKI-OAQYLSRUSA-N 1 2 485.702 2.711 20 0 JFADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)Nc4ccc(C)c(C)c4)n3CC(O)(CC)CC)C2)CC1 ZINC001296173138 1064294882 /nfs/dbraw/zinc/29/48/82/1064294882.db2.gz BUFKUNDUIQZPGN-HSZRJFAPSA-N 1 2 497.688 2.915 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001296173566 1064295850 /nfs/dbraw/zinc/29/58/50/1064295850.db2.gz JUXITHGNRLMRAR-QZTJIDSGSA-N 1 2 479.672 2.544 20 0 JFADLO CC[N@H+]1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC001296173566 1064295867 /nfs/dbraw/zinc/29/58/67/1064295867.db2.gz JUXITHGNRLMRAR-QZTJIDSGSA-N 1 2 479.672 2.544 20 0 JFADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCc3ccc(Cl)s3)C2)CC1 ZINC001296173841 1064299005 /nfs/dbraw/zinc/29/90/05/1064299005.db2.gz LWLXKPUEHFVWNQ-KRWDZBQOSA-N 1 2 480.082 2.590 20 0 JFADLO CC[C@H](C)NC(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001291796017 1064302306 /nfs/dbraw/zinc/30/23/06/1064302306.db2.gz IRIXMCWVNVZAKG-JTHBVZDNSA-N 1 2 497.688 2.863 20 0 JFADLO Cc1nc(N2CCN(C(=O)c3ccc(OCC(=O)N4[C@@H](C)CCC[C@@H]4C)cc3)CC2)cc[nH+]1 ZINC001296200433 1064375977 /nfs/dbraw/zinc/37/59/77/1064375977.db2.gz SZYIRZFRDKRRHH-OALUTQOASA-N 1 2 451.571 2.916 20 0 JFADLO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccc3F)n2Cc2c[nH+]ccc2OC)CC1 ZINC001291833469 1064402010 /nfs/dbraw/zinc/40/20/10/1064402010.db2.gz MBQOWCRBVJXQBX-GOSISDBHSA-N 1 2 481.576 2.573 20 0 JFADLO CC[C@@H](c1nnc(N(C)[C@@H]2CCSC2)n1CC[NH+]1CCN(C(C)=O)CC1)c1ccccc1 ZINC001291845860 1064453512 /nfs/dbraw/zinc/45/35/12/1064453512.db2.gz TVTQINGTKWVLHN-FGZHOGPDSA-N 1 2 456.660 2.926 20 0 JFADLO CC[C@H](c1nnc(N(C)CCS(C)(=O)=O)n1Cc1ccc[nH+]c1N1CCOCC1)c1ccccc1 ZINC001291851215 1064457425 /nfs/dbraw/zinc/45/74/25/1064457425.db2.gz IYQJXXCAEYDRBQ-QFIPXVFZSA-N 1 2 498.653 2.581 20 0 JFADLO CCNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001296232679 1064471651 /nfs/dbraw/zinc/47/16/51/1064471651.db2.gz WJJRTCXKPQIMRH-UHFFFAOYSA-N 1 2 487.008 2.774 20 0 JFADLO CC[C@@H](c1nnc(N2CCC(CNC(C)=O)CC2)n1C[C@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC001291870415 1064482877 /nfs/dbraw/zinc/48/28/77/1064482877.db2.gz VFRZKFVNASPIGI-GBXCKJPGSA-N 1 2 468.646 2.893 20 0 JFADLO CC[C@H](c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1Cc1ccc(N(C)C)[nH+]c1)c1ccccc1 ZINC001291875967 1064495554 /nfs/dbraw/zinc/49/55/54/1064495554.db2.gz YVDSHFZRTROISW-QFIPXVFZSA-N 1 2 497.669 2.847 20 0 JFADLO CC[C@@H](c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCNS(=O)(=O)CC)c1ccccc1 ZINC001291878875 1064500518 /nfs/dbraw/zinc/50/05/18/1064500518.db2.gz ZROTUJNCVMWDPC-OAQYLSRUSA-N 1 2 497.669 2.783 20 0 JFADLO CCC(CC)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1)OC ZINC001291927353 1064546446 /nfs/dbraw/zinc/54/64/46/1064546446.db2.gz XZSALUZJVFUMOK-GOSISDBHSA-N 1 2 461.636 2.522 20 0 JFADLO COc1cc(/C=C\C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc(Br)c1O ZINC001292057902 1064727829 /nfs/dbraw/zinc/72/78/29/1064727829.db2.gz LPUTXUOVAZBXJJ-FFPCURRISA-N 1 2 457.390 2.501 20 0 JFADLO Cc1cccc(CNC(=O)c2ccc(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)cc2)c1 ZINC001292059905 1064728673 /nfs/dbraw/zinc/72/86/73/1064728673.db2.gz YZVGMFWWBLEAGP-RUZDIDTESA-N 1 2 453.608 2.863 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCC(F)(F)CC2)n1C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001292062296 1064731307 /nfs/dbraw/zinc/73/13/07/1064731307.db2.gz PAQOAXYJJDOIMY-KRWDZBQOSA-N 1 2 491.591 2.933 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCC(F)(F)CC2)n1C[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001292062296 1064731321 /nfs/dbraw/zinc/73/13/21/1064731321.db2.gz PAQOAXYJJDOIMY-KRWDZBQOSA-N 1 2 491.591 2.933 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCC(N(C)C(C)=O)CC2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001292062440 1064732039 /nfs/dbraw/zinc/73/20/39/1064732039.db2.gz TTYSCTWISPDWNC-LJQANCHMSA-N 1 2 484.649 2.726 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1C[C@@H](C)c1nccs1 ZINC001292062922 1064734682 /nfs/dbraw/zinc/73/46/82/1064734682.db2.gz IPFBWBUPNFGKRS-UYAOXDASSA-N 1 2 488.706 2.673 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1C[C@H]1CCC=CO1 ZINC001292073343 1064751669 /nfs/dbraw/zinc/75/16/69/1064751669.db2.gz DLDDGKIRMRSSFJ-LJQANCHMSA-N 1 2 453.591 2.913 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCCC2(C)C)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001292091017 1064777588 /nfs/dbraw/zinc/77/75/88/1064777588.db2.gz DGKZZFJWMCRCCZ-QHCPKHFHSA-N 1 2 464.680 2.783 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@](C)(O)[C@H](C)CC ZINC001292116231 1064836897 /nfs/dbraw/zinc/83/68/97/1064836897.db2.gz PFFNGJNMHBSQMX-KOSHJBKYSA-N 1 2 457.623 2.715 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(O)cc3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001292117176 1064842600 /nfs/dbraw/zinc/84/26/00/1064842600.db2.gz XWQMPIDDXOVBOG-UHFFFAOYSA-N 1 2 492.628 2.738 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1Cc1c[nH+]ccc1OC ZINC001292132081 1064884516 /nfs/dbraw/zinc/88/45/16/1064884516.db2.gz DEKPBKNJBXQFTE-UHFFFAOYSA-N 1 2 492.506 2.884 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001292138225 1064905876 /nfs/dbraw/zinc/90/58/76/1064905876.db2.gz XSMXLENAIXPFFH-MOPGFXCFSA-N 1 2 499.660 2.869 20 0 JFADLO CC[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)OC ZINC001292184306 1064975210 /nfs/dbraw/zinc/97/52/10/1064975210.db2.gz BXKUFDXZPRKSPF-JXFKEZNVSA-N 1 2 461.010 2.813 20 0 JFADLO CC[C@H](Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1)OC ZINC001292192813 1064984817 /nfs/dbraw/zinc/98/48/17/1064984817.db2.gz NKPMMPXZSRWALL-GOSISDBHSA-N 1 2 467.574 2.812 20 0 JFADLO CC[C@H](Cn1c(-c2cnccn2)nnc1N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1)OC ZINC001292207801 1064995917 /nfs/dbraw/zinc/99/59/17/1064995917.db2.gz LPVILYCSPJQLLQ-MJGOQNOKSA-N 1 2 457.604 2.731 20 0 JFADLO CCC(O)(CC)Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001292273418 1065051198 /nfs/dbraw/zinc/05/11/98/1065051198.db2.gz JLGKIKQIZKBFAU-LJQANCHMSA-N 1 2 458.607 2.531 20 0 JFADLO CCC(O)(CC)Cn1c(Cc2ccsc2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001292288375 1065060651 /nfs/dbraw/zinc/06/06/51/1065060651.db2.gz AIZVVKHZHIWUCI-JOCHJYFZSA-N 1 2 490.718 2.713 20 0 JFADLO CCC1(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CC[NH+]2CCOCC2)CC1 ZINC001292435349 1065163574 /nfs/dbraw/zinc/16/35/74/1065163574.db2.gz HAEHMVQTJHEOMZ-LJQANCHMSA-N 1 2 478.638 2.545 20 0 JFADLO CCc1ccc(-c2nnc(N3CCC(S(=O)(=O)CC)CC3)n2CC[NH+]2CCSCC2)cc1 ZINC001292498270 1065218085 /nfs/dbraw/zinc/21/80/85/1065218085.db2.gz QILOAEYVDLVEQL-UHFFFAOYSA-N 1 2 477.700 2.960 20 0 JFADLO CCc1ccc(-c2nnc(N3CC[NH+]([C@@H](C)C(=O)N4CCCC4)CC3)n2CCCC(=O)N(C)C)cc1 ZINC001292518641 1065242945 /nfs/dbraw/zinc/24/29/45/1065242945.db2.gz RFPOIBYHIKKAJM-NRFANRHFSA-N 1 2 495.672 2.509 20 0 JFADLO CCc1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](CC(C)C)CC2)cc1 ZINC001292547375 1065267394 /nfs/dbraw/zinc/26/73/94/1065267394.db2.gz QHWWGBWMJFJMFE-JOCHJYFZSA-N 1 2 459.660 2.763 20 0 JFADLO C[C@H]1C[N@H+](CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)CCO1 ZINC001292572623 1065284202 /nfs/dbraw/zinc/28/42/02/1065284202.db2.gz ADMBIJQXUWYJEB-YOEHRIQHSA-N 1 2 456.381 2.852 20 0 JFADLO C[C@H]1C[N@@H+](CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccc(Br)c2)CCO1 ZINC001292572623 1065284216 /nfs/dbraw/zinc/28/42/16/1065284216.db2.gz ADMBIJQXUWYJEB-YOEHRIQHSA-N 1 2 456.381 2.852 20 0 JFADLO CCc1ccccc1NC(=O)CN(C)c1nnc([C@@H]2CCCOC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001292579721 1065295938 /nfs/dbraw/zinc/29/59/38/1065295938.db2.gz YWJRNWFGXXNANF-PZJWPPBQSA-N 1 2 470.618 2.530 20 0 JFADLO CCc1ccccc1NC(=O)CN(C)c1nnc([C@@H]2CCCOC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001292579721 1065295948 /nfs/dbraw/zinc/29/59/48/1065295948.db2.gz YWJRNWFGXXNANF-PZJWPPBQSA-N 1 2 470.618 2.530 20 0 JFADLO CCc1ccccc1OCc1nnc(N2CC[C@H](OC)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001292618405 1065353635 /nfs/dbraw/zinc/35/36/35/1065353635.db2.gz AQJPRJYQWFLFGD-NRFANRHFSA-N 1 2 456.635 2.671 20 0 JFADLO CCc1ccccc1OCc1nnc(N2CC[C@H](OC)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001292618405 1065353645 /nfs/dbraw/zinc/35/36/45/1065353645.db2.gz AQJPRJYQWFLFGD-NRFANRHFSA-N 1 2 456.635 2.671 20 0 JFADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCc1ccc(OC2CCCCC2)nc1 ZINC001292641428 1065376940 /nfs/dbraw/zinc/37/69/40/1065376940.db2.gz AWGRQDXSGMUOAA-UHFFFAOYSA-N 1 2 451.571 2.933 20 0 JFADLO CCc1nc(C)c(Cn2c(Cc3c(F)cccc3F)nnc2N(C)CC[NH+]2CCOCC2)o1 ZINC001292687739 1065431748 /nfs/dbraw/zinc/43/17/48/1065431748.db2.gz JYZUOKJUCHQGRJ-UHFFFAOYSA-N 1 2 460.529 2.823 20 0 JFADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)c3cc4ccncc4s3)cc2)CC1 ZINC001292707671 1065462571 /nfs/dbraw/zinc/46/25/71/1065462571.db2.gz ZUIATDJQUBPIIX-UHFFFAOYSA-N 1 2 452.580 2.812 20 0 JFADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)c3cccc4scnc43)cc2)CC1 ZINC001292707074 1065462591 /nfs/dbraw/zinc/46/25/91/1065462591.db2.gz PMMUHMOVSYTQHS-UHFFFAOYSA-N 1 2 452.580 2.812 20 0 JFADLO CCc1nn(C)c(CC)c1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001292755900 1065511149 /nfs/dbraw/zinc/51/11/49/1065511149.db2.gz DEDKAZMTHGPCKA-UHFFFAOYSA-N 1 2 496.635 2.784 20 0 JFADLO COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC001292770286 1065526807 /nfs/dbraw/zinc/52/68/07/1065526807.db2.gz BOFNPFWTDKVQPG-QFIPXVFZSA-N 1 2 457.596 2.501 20 0 JFADLO CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N2CC[NH+](Cc3ccccc3OC)CC2)C1 ZINC001292770423 1065526832 /nfs/dbraw/zinc/52/68/32/1065526832.db2.gz HOWKCCMZARAECZ-JOCHJYFZSA-N 1 2 450.539 2.537 20 0 JFADLO CCc1nnc(N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001292807667 1065562374 /nfs/dbraw/zinc/56/23/74/1065562374.db2.gz AVUVNGVMLQXPMM-GURQWTFNSA-N 1 2 462.639 2.928 20 0 JFADLO CCc1nnc(N(C)Cc2ccc(OC)c(O)c2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001292834602 1065571308 /nfs/dbraw/zinc/57/13/08/1065571308.db2.gz ZITHAPYVOAJJNR-KRWDZBQOSA-N 1 2 452.559 2.860 20 0 JFADLO CC[NH+]1CCN([C@H](C)CNC(=O)c2sccc2S(=O)(=O)Nc2ccc(C)cc2)CC1 ZINC001292985179 1065669531 /nfs/dbraw/zinc/66/95/31/1065669531.db2.gz DBYDKQXEJCIHCR-QGZVFWFLSA-N 1 2 450.630 2.613 20 0 JFADLO CCc1nnc(N2CCN(C(=O)C(C)C)CC2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001293078523 1065728811 /nfs/dbraw/zinc/72/88/11/1065728811.db2.gz NVKBKZDDZDRNQZ-QFIPXVFZSA-N 1 2 454.619 2.527 20 0 JFADLO CCc1nnc(N2CCN([C@H](C)C(F)(F)F)CC2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001293095403 1065745027 /nfs/dbraw/zinc/74/50/27/1065745027.db2.gz QVOHZXZFPDOYAE-UYAOXDASSA-N 1 2 466.552 2.987 20 0 JFADLO Nc1c(Cl)ccc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c1Cl ZINC001293107872 1065754117 /nfs/dbraw/zinc/75/41/17/1065754117.db2.gz RJMZZIYFRDJCCX-CYBMUJFWSA-N 1 2 451.358 2.601 20 0 JFADLO Nc1c(Cl)ccc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1Cl ZINC001293107872 1065754128 /nfs/dbraw/zinc/75/41/28/1065754128.db2.gz RJMZZIYFRDJCCX-CYBMUJFWSA-N 1 2 451.358 2.601 20 0 JFADLO CCc1nnc(N2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)n1Cc1ccc(N(C)C)nc1 ZINC001293126625 1065777691 /nfs/dbraw/zinc/77/76/91/1065777691.db2.gz BAHMALGDWVRVMT-UHFFFAOYSA-N 1 2 453.566 2.820 20 0 JFADLO CCc1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001293128195 1065779098 /nfs/dbraw/zinc/77/90/98/1065779098.db2.gz LEUHIDJNSZZJKO-UHFFFAOYSA-N 1 2 481.552 2.849 20 0 JFADLO CCc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCc1ccc(F)cc1C ZINC001293130591 1065781879 /nfs/dbraw/zinc/78/18/79/1065781879.db2.gz INFVBFCJPIUAEV-QHCPKHFHSA-N 1 2 458.626 2.762 20 0 JFADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cc(S(N)(=O)=O)cc(Cl)c3F)CC2)c1 ZINC001293202451 1065829982 /nfs/dbraw/zinc/82/99/82/1065829982.db2.gz GDSDBWDOZZEEML-ZDUSSCGKSA-N 1 2 455.939 2.654 20 0 JFADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@]34CN(C(=O)OC(C)(C)C)C[C@@H]3CCO4)CC2)c1 ZINC001293202842 1065830460 /nfs/dbraw/zinc/83/04/60/1065830460.db2.gz ZPPQTOPHFBSEJC-JVFUWBCBSA-N 1 2 459.587 2.926 20 0 JFADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001293215262 1065850716 /nfs/dbraw/zinc/85/07/16/1065850716.db2.gz FXTGLLRITOXATH-MBOZVWFJSA-N 1 2 477.009 2.507 20 0 JFADLO CCOc1ccc(S(=O)(=O)NCCC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC001293222247 1065876726 /nfs/dbraw/zinc/87/67/26/1065876726.db2.gz IEVHKLRLKQUMPB-TWGQIWQCSA-N 1 2 457.596 2.611 20 0 JFADLO CC[C@H]1C(=O)NCCN1c1nnc(Cc2ccccn2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001293240092 1065896903 /nfs/dbraw/zinc/89/69/03/1065896903.db2.gz WISBXNKWTUBYLS-PMACEKPBSA-N 1 2 469.540 2.560 20 0 JFADLO CC[C@H]1C(=O)NCCN1c1nnc(Cc2csc(C)n2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001293243499 1065906308 /nfs/dbraw/zinc/90/63/08/1065906308.db2.gz WEBGRTYCBYVVQP-RBUKOAKNSA-N 1 2 489.596 2.930 20 0 JFADLO CC(C)(C)OC(=O)N1CC(O)(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001293321073 1065948369 /nfs/dbraw/zinc/94/83/69/1065948369.db2.gz AZCZEDDXYXVEPY-QGZVFWFLSA-N 1 2 455.958 2.932 20 0 JFADLO CC(C)(C)OC(=O)N1CC(O)(CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001293321073 1065948382 /nfs/dbraw/zinc/94/83/82/1065948382.db2.gz AZCZEDDXYXVEPY-QGZVFWFLSA-N 1 2 455.958 2.932 20 0 JFADLO CC[C@@H]1CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001293436084 1066006457 /nfs/dbraw/zinc/00/64/57/1066006457.db2.gz ONYHIKYMXGWCBC-AQNXPRMDSA-N 1 2 478.638 2.686 20 0 JFADLO CC[C@@H]1CCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001293436084 1066006469 /nfs/dbraw/zinc/00/64/69/1066006469.db2.gz ONYHIKYMXGWCBC-AQNXPRMDSA-N 1 2 478.638 2.686 20 0 JFADLO CC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CCS(=O)(=O)CC)CC[N@@H+]1CCOC ZINC001293565686 1066078070 /nfs/dbraw/zinc/07/80/70/1066078070.db2.gz OMUCYJITHOBKGU-QGZVFWFLSA-N 1 2 470.039 2.580 20 0 JFADLO CC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CCS(=O)(=O)CC)CC[N@H+]1CCOC ZINC001293565686 1066078081 /nfs/dbraw/zinc/07/80/81/1066078081.db2.gz OMUCYJITHOBKGU-QGZVFWFLSA-N 1 2 470.039 2.580 20 0 JFADLO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC(C)(C)C)CC[N@@H+]1CCOC ZINC001293597841 1066111027 /nfs/dbraw/zinc/11/10/27/1066111027.db2.gz IIKHIRFNVFPXMH-RTBURBONSA-N 1 2 455.669 2.554 20 0 JFADLO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC(C)(C)C)CC[N@H+]1CCOC ZINC001293597841 1066111035 /nfs/dbraw/zinc/11/10/35/1066111035.db2.gz IIKHIRFNVFPXMH-RTBURBONSA-N 1 2 455.669 2.554 20 0 JFADLO CC[C@@H]1CN(c2nnc(CC3CCCC3)n2CCS(=O)(=O)C(C)(C)C)CC[N@@H+]1CCOC ZINC001293625207 1066140587 /nfs/dbraw/zinc/14/05/87/1066140587.db2.gz CENLXEOYNVHPKN-HXUWFJFHSA-N 1 2 469.696 2.771 20 0 JFADLO CC[C@@H]1CN(c2nnc(CC3CCCC3)n2CCS(=O)(=O)C(C)(C)C)CC[N@H+]1CCOC ZINC001293625207 1066140592 /nfs/dbraw/zinc/14/05/92/1066140592.db2.gz CENLXEOYNVHPKN-HXUWFJFHSA-N 1 2 469.696 2.771 20 0 JFADLO CC[C@@H]1CN(c2nnc(COc3ccccc3OC)n2CC[N@@H+]2CCOC[C@H]2C)C[C@@H](C)O1 ZINC001293645530 1066160778 /nfs/dbraw/zinc/16/07/78/1066160778.db2.gz WACTWDXCAYKCSX-VAMGGRTRSA-N 1 2 459.591 2.590 20 0 JFADLO CC[C@@H]1CN(c2nnc(COc3ccccc3OC)n2CC[N@H+]2CCOC[C@H]2C)C[C@@H](C)O1 ZINC001293645530 1066160780 /nfs/dbraw/zinc/16/07/80/1066160780.db2.gz WACTWDXCAYKCSX-VAMGGRTRSA-N 1 2 459.591 2.590 20 0 JFADLO CC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[S@](=O)CC)C[C@@H]1[NH+]1CCOCC1 ZINC001293654054 1066166753 /nfs/dbraw/zinc/16/67/53/1066166753.db2.gz WDIIOYGRQKCYML-YKYZPSLBSA-N 1 2 481.707 2.512 20 0 JFADLO CC/C=C\Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001293674727 1066172368 /nfs/dbraw/zinc/17/23/68/1066172368.db2.gz NDOPMELXUUXFDZ-WAYWQWQTSA-N 1 2 470.599 2.933 20 0 JFADLO CCCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001293759173 1066242348 /nfs/dbraw/zinc/24/23/48/1066242348.db2.gz DXBNJJNGFCTTOE-ZZLPTCMGSA-N 1 2 490.693 2.803 20 0 JFADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CCCC(=O)c1ccc2c(c1)OCCO2 ZINC001293764328 1066251968 /nfs/dbraw/zinc/25/19/68/1066251968.db2.gz UCNCPJBLRGJFFQ-IBGZPJMESA-N 1 2 452.555 2.533 20 0 JFADLO CCCC(=O)NC1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001293775897 1066269084 /nfs/dbraw/zinc/26/90/84/1066269084.db2.gz WZZMPIUQBGAHRS-IBGZPJMESA-N 1 2 472.609 2.614 20 0 JFADLO CCCC(=O)NC1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001293775897 1066269095 /nfs/dbraw/zinc/26/90/95/1066269095.db2.gz WZZMPIUQBGAHRS-IBGZPJMESA-N 1 2 472.609 2.614 20 0 JFADLO CCCC(=O)NC[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CC2([NH+]3CCOCC3)CC2)C1 ZINC001293789103 1066296609 /nfs/dbraw/zinc/29/66/09/1066296609.db2.gz MKTYQKSIBPEUEL-HXUWFJFHSA-N 1 2 460.667 2.864 20 0 JFADLO CCC[C@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001293798546 1066309607 /nfs/dbraw/zinc/30/96/07/1066309607.db2.gz SRWFPLAUHXRAPL-HOFKKMOUSA-N 1 2 497.688 2.915 20 0 JFADLO CCC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001293806611 1066316639 /nfs/dbraw/zinc/31/66/39/1066316639.db2.gz KHLMFKLEADKGTP-HOYKHHGWSA-N 1 2 490.052 2.678 20 0 JFADLO CCC[C@@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001293817571 1066324958 /nfs/dbraw/zinc/32/49/58/1066324958.db2.gz ISCIPWINULAEFB-SQJMNOBHSA-N 1 2 455.651 2.804 20 0 JFADLO CCC[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001293819708 1066326598 /nfs/dbraw/zinc/32/65/98/1066326598.db2.gz LZNRHLAGRVDCIO-XMMPIXPASA-N 1 2 465.606 2.835 20 0 JFADLO CCC[C@](C)(O)Cn1c(Cc2ccccc2C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001293830745 1066334709 /nfs/dbraw/zinc/33/47/09/1066334709.db2.gz BSSWXXZNZDQFCW-CUNXSJBXSA-N 1 2 482.673 2.861 20 0 JFADLO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(C(C)(C)C)n2CC2([NH+]3CCOCC3)CC2)C1 ZINC001293934115 1066414502 /nfs/dbraw/zinc/41/45/02/1066414502.db2.gz WDDMTFBPOMIBBL-PMACEKPBSA-N 1 2 460.667 2.962 20 0 JFADLO CCC[C@H]1CN(c2nnc(-c3ccccc3C)n2CCc2nnc(C)[nH]2)CC[N@@H+]1CCOC ZINC001294072245 1066541140 /nfs/dbraw/zinc/54/11/40/1066541140.db2.gz FBYPYBXTMZQLOF-FQEVSTJZSA-N 1 2 452.607 2.860 20 0 JFADLO CCC[C@H]1CN(c2nnc(-c3ccccc3C)n2CCc2nnc(C)[nH]2)CC[N@H+]1CCOC ZINC001294072245 1066541152 /nfs/dbraw/zinc/54/11/52/1066541152.db2.gz FBYPYBXTMZQLOF-FQEVSTJZSA-N 1 2 452.607 2.860 20 0 JFADLO CCC[C@H]1CN(c2nnc(C3CCC3)n2CC2(S(C)(=O)=O)CCCC2)CC[N@@H+]1CCOC ZINC001294083791 1066553207 /nfs/dbraw/zinc/55/32/07/1066553207.db2.gz ODBIVCBWABQIHS-FQEVSTJZSA-N 1 2 467.680 2.840 20 0 JFADLO CCC[C@H]1CN(c2nnc(C3CCC3)n2CC2(S(C)(=O)=O)CCCC2)CC[N@H+]1CCOC ZINC001294083791 1066553215 /nfs/dbraw/zinc/55/32/15/1066553215.db2.gz ODBIVCBWABQIHS-FQEVSTJZSA-N 1 2 467.680 2.840 20 0 JFADLO CCC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC(F)(F)C2)CC[N@@H+]1CCOC ZINC001294085070 1066554786 /nfs/dbraw/zinc/55/47/86/1066554786.db2.gz CXLRJJVQFCMVCG-IPMKNSEASA-N 1 2 489.633 2.553 20 0 JFADLO CCC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC(F)(F)C2)CC[N@H+]1CCOC ZINC001294085070 1066554789 /nfs/dbraw/zinc/55/47/89/1066554789.db2.gz CXLRJJVQFCMVCG-IPMKNSEASA-N 1 2 489.633 2.553 20 0 JFADLO CCC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)s2)CC[N@@H+]1CCOC ZINC001294086458 1066557661 /nfs/dbraw/zinc/55/76/61/1066557661.db2.gz LRDMKIAVASBROB-RTBURBONSA-N 1 2 481.688 2.536 20 0 JFADLO CCC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)s2)CC[N@H+]1CCOC ZINC001294086458 1066557674 /nfs/dbraw/zinc/55/76/74/1066557674.db2.gz LRDMKIAVASBROB-RTBURBONSA-N 1 2 481.688 2.536 20 0 JFADLO CCOC(=O)[C@]12CCO[C@@H]1CCN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001164432362 718977227 /nfs/dbraw/zinc/97/72/27/718977227.db2.gz GRSACSGZHZKJBA-KCWPFWIISA-N 1 2 478.593 2.588 20 0 JFADLO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@H+]2C ZINC001164638109 719279897 /nfs/dbraw/zinc/27/98/97/719279897.db2.gz CQPVHWRQFZNZJQ-UHFFFAOYSA-N 1 2 474.989 2.824 20 0 JFADLO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@@H+]2C ZINC001164638109 719279900 /nfs/dbraw/zinc/27/99/00/719279900.db2.gz CQPVHWRQFZNZJQ-UHFFFAOYSA-N 1 2 474.989 2.824 20 0 JFADLO CCOC(=O)c1nnc(SC)nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164672324 719501829 /nfs/dbraw/zinc/50/18/29/719501829.db2.gz KSRKZAYFEWDDHQ-UHFFFAOYSA-N 1 2 461.563 2.781 20 0 JFADLO CCOC(=O)c1nnc(SC)nc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164672324 719501838 /nfs/dbraw/zinc/50/18/38/719501838.db2.gz KSRKZAYFEWDDHQ-UHFFFAOYSA-N 1 2 461.563 2.781 20 0 JFADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc4scnc4c(N4CCOCC4)n2)CC3)cc1 ZINC001164673177 719502263 /nfs/dbraw/zinc/50/22/63/719502263.db2.gz PHKIGOGDBMAASU-UHFFFAOYSA-N 1 2 484.601 2.933 20 0 JFADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc4scnc4c(N4CCOCC4)n2)CC3)cc1 ZINC001164673177 719502271 /nfs/dbraw/zinc/50/22/71/719502271.db2.gz PHKIGOGDBMAASU-UHFFFAOYSA-N 1 2 484.601 2.933 20 0 JFADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)ncc2N2CCOCC2)CC3)cc1 ZINC001164671040 719509379 /nfs/dbraw/zinc/50/93/79/719509379.db2.gz BDLCILWCIOHCBE-UHFFFAOYSA-N 1 2 461.969 2.977 20 0 JFADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)ncc2N2CCOCC2)CC3)cc1 ZINC001164671040 719509389 /nfs/dbraw/zinc/50/93/89/719509389.db2.gz BDLCILWCIOHCBE-UHFFFAOYSA-N 1 2 461.969 2.977 20 0 JFADLO O=C1CCC(=O)N1Cc1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001164673368 719514575 /nfs/dbraw/zinc/51/45/75/719514575.db2.gz QJRDQEOUPWPVGH-UHFFFAOYSA-N 1 2 452.530 2.741 20 0 JFADLO O=C1CCC(=O)N1Cc1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001164673368 719514581 /nfs/dbraw/zinc/51/45/81/719514581.db2.gz QJRDQEOUPWPVGH-UHFFFAOYSA-N 1 2 452.530 2.741 20 0 JFADLO CC(C)NS(=O)(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001164672655 719520644 /nfs/dbraw/zinc/52/06/44/719520644.db2.gz MDBQVZNLQYOURI-UHFFFAOYSA-N 1 2 462.591 2.779 20 0 JFADLO CC(C)NS(=O)(=O)c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001164672655 719520651 /nfs/dbraw/zinc/52/06/51/719520651.db2.gz MDBQVZNLQYOURI-UHFFFAOYSA-N 1 2 462.591 2.779 20 0 JFADLO O=C([C@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CC12CCOCC2)N1CC=CC1 ZINC001164676643 719557248 /nfs/dbraw/zinc/55/72/48/719557248.db2.gz DLOWDAYXPLJLHC-HSZRJFAPSA-N 1 2 459.594 2.666 20 0 JFADLO O=C([C@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CC12CCOCC2)N1CC=CC1 ZINC001164676643 719557251 /nfs/dbraw/zinc/55/72/51/719557251.db2.gz DLOWDAYXPLJLHC-HSZRJFAPSA-N 1 2 459.594 2.666 20 0 JFADLO O=C(c1cccnc1N1CC[C@H]2[C@@H]1CC(=O)N2Cc1cccnc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164690640 719770245 /nfs/dbraw/zinc/77/02/45/719770245.db2.gz GLIZILQHXUUGNC-UIOOFZCWSA-N 1 2 496.615 2.814 20 0 JFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(Oc2ccc(OC)cc2)nc(C)n1 ZINC001164707853 719876011 /nfs/dbraw/zinc/87/60/11/719876011.db2.gz WDWMTOWTGYSOPK-MHECFPHRSA-N 1 2 456.543 2.819 20 0 JFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C)c(Cc2ccc(OC)cc2)c(C)n1 ZINC001164707631 719876575 /nfs/dbraw/zinc/87/65/75/719876575.db2.gz URSAKSJKUIXENK-HFZDXXHNSA-N 1 2 468.598 2.926 20 0 JFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(C(=O)OC(C)(C)C)cc1Cl ZINC001164708203 719876663 /nfs/dbraw/zinc/87/66/63/719876663.db2.gz YNYCHSFDKUTTPD-KSFYIVLOSA-N 1 2 453.967 2.923 20 0 JFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(C(=O)OC(C)(C)C)cc1Cl ZINC001164708202 719876803 /nfs/dbraw/zinc/87/68/03/719876803.db2.gz YNYCHSFDKUTTPD-AOMKIAJQSA-N 1 2 453.967 2.923 20 0 JFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)Cc1nc2c(ncnc2Cl)s1 ZINC001164702157 719880571 /nfs/dbraw/zinc/88/05/71/719880571.db2.gz ONSSBSIFFIPRCY-KZULUSFZSA-N 1 2 475.949 2.603 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(F)(F)c1ccc3cnc(Cl)nc3c1)CC2 ZINC001164708928 719912768 /nfs/dbraw/zinc/91/27/68/719912768.db2.gz NSSRSLGGLNLMAY-UHFFFAOYSA-N 1 2 475.931 2.512 20 0 JFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncc(OCc3ccccc3)cc1Cl)CC2 ZINC001164708024 719920420 /nfs/dbraw/zinc/92/04/20/719920420.db2.gz AKRIVWFODJSDRP-UHFFFAOYSA-N 1 2 481.000 2.998 20 0 JFADLO Cc1nc2sc3c(c2c(N2CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C2)n1)CCCC3 ZINC001164708892 719921406 /nfs/dbraw/zinc/92/14/06/719921406.db2.gz UYPONVXLIDKOID-UHFFFAOYSA-N 1 2 465.627 2.562 20 0 JFADLO COc1cccc2c(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)cc(Cl)nc12 ZINC001164702313 719931725 /nfs/dbraw/zinc/93/17/25/719931725.db2.gz FETBVCFSQYOQPE-UHFFFAOYSA-N 1 2 454.962 2.581 20 0 JFADLO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCC[C@]2(C1)COCC[N@H+](CC(=O)NC)C2 ZINC001164721256 720283862 /nfs/dbraw/zinc/28/38/62/720283862.db2.gz IPXJUBFHFZDKGT-DEOSSOPVSA-N 1 2 474.989 2.730 20 0 JFADLO CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCC[C@]2(C1)COCC[N@@H+](CC(=O)NC)C2 ZINC001164721256 720283874 /nfs/dbraw/zinc/28/38/74/720283874.db2.gz IPXJUBFHFZDKGT-DEOSSOPVSA-N 1 2 474.989 2.730 20 0 JFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN([C@@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)C2)C1 ZINC001164723253 720297038 /nfs/dbraw/zinc/29/70/38/720297038.db2.gz VRKLQXOSDZVXSQ-DHIUTWEWSA-N 1 2 477.968 2.589 20 0 JFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN([C@@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)C2)C1 ZINC001164723253 720297048 /nfs/dbraw/zinc/29/70/48/720297048.db2.gz VRKLQXOSDZVXSQ-DHIUTWEWSA-N 1 2 477.968 2.589 20 0 JFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN([C@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)C2)C1 ZINC001164723257 720297662 /nfs/dbraw/zinc/29/76/62/720297662.db2.gz VRKLQXOSDZVXSQ-XZOQPEGZSA-N 1 2 477.968 2.589 20 0 JFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN([C@H](F)Oc3cccc(-c4ccc(Cl)nn4)c3)C2)C1 ZINC001164723257 720297671 /nfs/dbraw/zinc/29/76/71/720297671.db2.gz VRKLQXOSDZVXSQ-XZOQPEGZSA-N 1 2 477.968 2.589 20 0 JFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3ccccc3F)C2)C1 ZINC001164720932 720306157 /nfs/dbraw/zinc/30/61/57/720306157.db2.gz CNBAYLQPGAUGBI-QFIPXVFZSA-N 1 2 463.941 2.726 20 0 JFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3ccccc3F)C2)C1 ZINC001164720932 720306164 /nfs/dbraw/zinc/30/61/64/720306164.db2.gz CNBAYLQPGAUGBI-QFIPXVFZSA-N 1 2 463.941 2.726 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(C(=O)NC(C)(C)C)cn4)CC3)C2=O)cs1 ZINC001164820620 720369940 /nfs/dbraw/zinc/36/99/40/720369940.db2.gz QBFPFBZBCZAWAM-UHFFFAOYSA-N 1 2 470.643 2.688 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(C(=O)NC(C)(C)C)cn4)CC3)C2=O)cs1 ZINC001164820620 720369949 /nfs/dbraw/zinc/36/99/49/720369949.db2.gz QBFPFBZBCZAWAM-UHFFFAOYSA-N 1 2 470.643 2.688 20 0 JFADLO COc1cccc2cnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)nc21 ZINC001164820351 720371293 /nfs/dbraw/zinc/37/12/93/720371293.db2.gz OBMDVWAVAYIBIO-UHFFFAOYSA-N 1 2 452.584 2.717 20 0 JFADLO COc1cccc2cnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)nc21 ZINC001164820351 720371302 /nfs/dbraw/zinc/37/13/02/720371302.db2.gz OBMDVWAVAYIBIO-UHFFFAOYSA-N 1 2 452.584 2.717 20 0 JFADLO CCOC(=O)c1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c(Cl)c1 ZINC001164821066 720372127 /nfs/dbraw/zinc/37/21/27/720372127.db2.gz WJGFNICEUGKHSS-UHFFFAOYSA-N 1 2 478.018 2.990 20 0 JFADLO CCOC(=O)c1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c(Cl)c1 ZINC001164821066 720372132 /nfs/dbraw/zinc/37/21/32/720372132.db2.gz WJGFNICEUGKHSS-UHFFFAOYSA-N 1 2 478.018 2.990 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5cc(Cl)cnc54)CC3)C2=O)cs1 ZINC001164820143 720372874 /nfs/dbraw/zinc/37/28/74/720372874.db2.gz LOFPSEXSOCNPOJ-UHFFFAOYSA-N 1 2 457.991 2.756 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5cc(Cl)cnc54)CC3)C2=O)cs1 ZINC001164820143 720372876 /nfs/dbraw/zinc/37/28/76/720372876.db2.gz LOFPSEXSOCNPOJ-UHFFFAOYSA-N 1 2 457.991 2.756 20 0 JFADLO CSc1nc2ncnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@H+]4C)c2s1 ZINC001164819700 720375296 /nfs/dbraw/zinc/37/52/96/720375296.db2.gz GMLVYWARPGERET-UHFFFAOYSA-N 1 2 475.669 2.886 20 0 JFADLO CSc1nc2ncnc(N3CCC4(CC3)C(=O)N(Cc3csc(C)n3)CC[N@@H+]4C)c2s1 ZINC001164819700 720375304 /nfs/dbraw/zinc/37/53/04/720375304.db2.gz GMLVYWARPGERET-UHFFFAOYSA-N 1 2 475.669 2.886 20 0 JFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5c4ncn5-c4ccccc4)CC3)C2=O)cs1 ZINC001164820376 720383381 /nfs/dbraw/zinc/38/33/81/720383381.db2.gz ABSHSLMIMUQPEB-UHFFFAOYSA-N 1 2 488.621 2.894 20 0 JFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5c4ncn5-c4ccccc4)CC3)C2=O)cs1 ZINC001164820376 720383389 /nfs/dbraw/zinc/38/33/89/720383389.db2.gz ABSHSLMIMUQPEB-UHFFFAOYSA-N 1 2 488.621 2.894 20 0 JFADLO Cc1cc(C(F)(F)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)cc(Cl)n1 ZINC001164823707 720431725 /nfs/dbraw/zinc/43/17/25/720431725.db2.gz JFOBWKXGIYYYTL-INIZCTEOSA-N 1 2 455.937 2.774 20 0 JFADLO CSc1nc(Cl)cc(C(F)(F)N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164827059 720433296 /nfs/dbraw/zinc/43/32/96/720433296.db2.gz YUKMRWFGALAJNW-CQSZACIVSA-N 1 2 488.992 2.583 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1nc(Cl)ncc1Cl)C2 ZINC001164827016 720438858 /nfs/dbraw/zinc/43/88/58/720438858.db2.gz YIYWPFALAIDZJW-ZDUSSCGKSA-N 1 2 477.343 2.514 20 0 JFADLO CCOC(=O)c1cc2ccccc2nc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164832291 720461836 /nfs/dbraw/zinc/46/18/36/720461836.db2.gz STJGLXWRAYBSFT-FQEVSTJZSA-N 1 2 479.581 2.598 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)C2 ZINC001164829156 720467245 /nfs/dbraw/zinc/46/72/45/720467245.db2.gz CSOHZUHVWURQDZ-MRXNPFEDSA-N 1 2 480.947 2.947 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(NC(=O)OC(C)(C)C)cn1)C2 ZINC001164833160 720468085 /nfs/dbraw/zinc/46/80/85/720468085.db2.gz ZCODTGAOTKIMHX-SFHVURJKSA-N 1 2 472.590 2.615 20 0 JFADLO CCc1nc2sc3c(c2c(N2Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C2)n1)CCC3 ZINC001164831722 720469688 /nfs/dbraw/zinc/46/96/88/720469688.db2.gz OVVOHHDWEGXBOZ-QGZVFWFLSA-N 1 2 482.654 2.929 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(-c3ccccn3)nc3ccccc31)C2 ZINC001164828901 720471018 /nfs/dbraw/zinc/47/10/18/720471018.db2.gz CCULQNKKXIAFEJ-FQEVSTJZSA-N 1 2 485.592 2.878 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(F)(F)c1cc(C3CC3)nnc1Cl)C2 ZINC001164830813 720472632 /nfs/dbraw/zinc/47/26/32/720472632.db2.gz MFEGDYHIOSAGFA-MRXNPFEDSA-N 1 2 482.963 2.738 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(C(=O)OCc3ccccc3)cn1)C2 ZINC001164831785 720473400 /nfs/dbraw/zinc/47/34/00/720473400.db2.gz QHZUKMCJPYOZOW-HSZRJFAPSA-N 1 2 491.592 2.625 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(C(=O)OCc3ccccc3)cn1)C2 ZINC001164831786 720473713 /nfs/dbraw/zinc/47/37/13/720473713.db2.gz QHZUKMCJPYOZOW-QHCPKHFHSA-N 1 2 491.592 2.625 20 0 JFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncccc1OCc1ccc(F)cc1)C2 ZINC001164833085 720474860 /nfs/dbraw/zinc/47/48/60/720474860.db2.gz YJHZGYLKJMUPOJ-NRFANRHFSA-N 1 2 481.572 2.986 20 0 JFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(SCc3ccccc3)ncn1)C2 ZINC001164831724 720476253 /nfs/dbraw/zinc/47/62/53/720476253.db2.gz OWYABXSQCGMQDN-OAQYLSRUSA-N 1 2 480.638 2.955 20 0 JFADLO COC[C@]12CCC[C@@H]1CN(c1nc3cc(C[NH+]4CCN(C)CC4)sc3c(N3CCOCC3)n1)C2 ZINC001164845483 720790652 /nfs/dbraw/zinc/79/06/52/720790652.db2.gz GKJAFCWRVQYNFX-KBMIEXCESA-N 1 2 486.686 2.528 20 0 JFADLO O=S(=O)(c1ccccc1)N1C[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]2C1 ZINC001164877696 721306807 /nfs/dbraw/zinc/30/68/07/721306807.db2.gz JJAIWMZBUSGYBX-VXKWHMMOSA-N 1 2 475.618 2.792 20 0 JFADLO O=S(=O)(c1ccccc1)N1C[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]2C1 ZINC001164877696 721306809 /nfs/dbraw/zinc/30/68/09/721306809.db2.gz JJAIWMZBUSGYBX-VXKWHMMOSA-N 1 2 475.618 2.792 20 0 JFADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C[C@H]2CCCO[C@@H]21)c1cccnc1 ZINC001164788353 721378355 /nfs/dbraw/zinc/37/83/55/721378355.db2.gz YPPMBSNCBXGFGA-RCXJIHSJSA-N 1 2 484.604 2.844 20 0 JFADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C[C@H]2CCCO[C@@H]21)c1cccnc1 ZINC001164788353 721378357 /nfs/dbraw/zinc/37/83/57/721378357.db2.gz YPPMBSNCBXGFGA-RCXJIHSJSA-N 1 2 484.604 2.844 20 0 JFADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C[C@H]2CCCO[C@H]21)c1cccnc1 ZINC001164787946 721378405 /nfs/dbraw/zinc/37/84/05/721378405.db2.gz YPPMBSNCBXGFGA-DNRSQYFGSA-N 1 2 484.604 2.844 20 0 JFADLO O=C(N[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C[C@H]2CCCO[C@H]21)c1cccnc1 ZINC001164787946 721378409 /nfs/dbraw/zinc/37/84/09/721378409.db2.gz YPPMBSNCBXGFGA-DNRSQYFGSA-N 1 2 484.604 2.844 20 0 JFADLO c1ccc(C[N@@H+]2CCc3ncnc(N4CCO[C@]5(CCCN(c6cnccn6)C5)C4)c3C2)cc1 ZINC001164902618 721579404 /nfs/dbraw/zinc/57/94/04/721579404.db2.gz GYSWMESLEGPYHZ-SANMLTNESA-N 1 2 457.582 2.701 20 0 JFADLO c1ccc(C[N@H+]2CCc3ncnc(N4CCO[C@]5(CCCN(c6cnccn6)C5)C4)c3C2)cc1 ZINC001164902618 721579406 /nfs/dbraw/zinc/57/94/06/721579406.db2.gz GYSWMESLEGPYHZ-SANMLTNESA-N 1 2 457.582 2.701 20 0 JFADLO c1cnn(C[C@@H]2CC[C@@]3(COCCN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C3)O2)c1 ZINC001164803140 721607353 /nfs/dbraw/zinc/60/73/53/721607353.db2.gz JDOPVVJUCOBWAP-BKMJKUGQSA-N 1 2 460.582 2.686 20 0 JFADLO c1cnn(C[C@@H]2CC[C@@]3(COCCN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C3)O2)c1 ZINC001164803140 721607355 /nfs/dbraw/zinc/60/73/55/721607355.db2.gz JDOPVVJUCOBWAP-BKMJKUGQSA-N 1 2 460.582 2.686 20 0 JFADLO CC[C@H]1C(=O)N(C)c2cnc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)nc2N1C1CCCC1 ZINC001165011472 721703395 /nfs/dbraw/zinc/70/33/95/721703395.db2.gz UAGJPGNHTVTBFC-IBGZPJMESA-N 1 2 481.649 2.823 20 0 JFADLO CC[C@H]1C(=O)N(C)c2cnc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)nc2N1C1CCCC1 ZINC001165011472 721703397 /nfs/dbraw/zinc/70/33/97/721703397.db2.gz UAGJPGNHTVTBFC-IBGZPJMESA-N 1 2 481.649 2.823 20 0 JFADLO CC[C@@H]1C(=O)Nc2cnc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)nc2N1C1CCCC1 ZINC001165010350 721703717 /nfs/dbraw/zinc/70/37/17/721703717.db2.gz HLQJDSJPFVDQCQ-LJQANCHMSA-N 1 2 467.622 2.798 20 0 JFADLO CC[C@@H]1C(=O)Nc2cnc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)nc2N1C1CCCC1 ZINC001165010350 721703720 /nfs/dbraw/zinc/70/37/20/721703720.db2.gz HLQJDSJPFVDQCQ-LJQANCHMSA-N 1 2 467.622 2.798 20 0 JFADLO Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(C(F)(F)c1nc3ccccc3nc1Cl)CC2 ZINC001165014201 721766250 /nfs/dbraw/zinc/76/62/50/721766250.db2.gz FALUHHZXWLURSV-UHFFFAOYSA-N 1 2 486.914 2.751 20 0 JFADLO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164917928 721782437 /nfs/dbraw/zinc/78/24/37/721782437.db2.gz ZZWKAPPYFFNBBA-QFIPXVFZSA-N 1 2 494.017 2.531 20 0 JFADLO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164917928 721782438 /nfs/dbraw/zinc/78/24/38/721782438.db2.gz ZZWKAPPYFFNBBA-QFIPXVFZSA-N 1 2 494.017 2.531 20 0 JFADLO CCOC(Cc1c(Cl)ncnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2)OCC ZINC001164915169 721783198 /nfs/dbraw/zinc/78/31/98/721783198.db2.gz JGSCBGDCGXWFMB-XMMPIXPASA-N 1 2 492.020 2.574 20 0 JFADLO CCOC(Cc1c(Cl)ncnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2)OCC ZINC001164915169 721783199 /nfs/dbraw/zinc/78/31/99/721783199.db2.gz JGSCBGDCGXWFMB-XMMPIXPASA-N 1 2 492.020 2.574 20 0 JFADLO COc1cc2nc(Cl)c(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2cc1OC ZINC001164914864 721783996 /nfs/dbraw/zinc/78/39/96/721783996.db2.gz GMOUUDKCNKTZMF-DEOSSOPVSA-N 1 2 485.972 2.803 20 0 JFADLO COc1cc2nc(Cl)c(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2cc1OC ZINC001164914864 721783997 /nfs/dbraw/zinc/78/39/97/721783997.db2.gz GMOUUDKCNKTZMF-DEOSSOPVSA-N 1 2 485.972 2.803 20 0 JFADLO O=C(Nc1ccccc1)c1ccnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164916731 721784436 /nfs/dbraw/zinc/78/44/36/721784436.db2.gz SVGCEBXODNZVCR-SANMLTNESA-N 1 2 459.550 2.837 20 0 JFADLO O=C(Nc1ccccc1)c1ccnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164916731 721784440 /nfs/dbraw/zinc/78/44/40/721784440.db2.gz SVGCEBXODNZVCR-SANMLTNESA-N 1 2 459.550 2.837 20 0 JFADLO CCN(CC)C(=O)c1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164915526 721785907 /nfs/dbraw/zinc/78/59/07/721785907.db2.gz KWBPQUUSFLGSNT-XMMPIXPASA-N 1 2 474.005 2.720 20 0 JFADLO CCN(CC)C(=O)c1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164915526 721785909 /nfs/dbraw/zinc/78/59/09/721785909.db2.gz KWBPQUUSFLGSNT-XMMPIXPASA-N 1 2 474.005 2.720 20 0 JFADLO CC(C)(C)c1noc(-c2ccnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2)n1 ZINC001164916328 721791784 /nfs/dbraw/zinc/79/17/84/721791784.db2.gz QABFIKVUZQTNRA-RUZDIDTESA-N 1 2 464.570 2.932 20 0 JFADLO CC(C)(C)c1noc(-c2ccnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2)n1 ZINC001164916328 721791785 /nfs/dbraw/zinc/79/17/85/721791785.db2.gz QABFIKVUZQTNRA-RUZDIDTESA-N 1 2 464.570 2.932 20 0 JFADLO O=C(c1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)c1)N1CCCCC1 ZINC001164913703 721795536 /nfs/dbraw/zinc/79/55/36/721795536.db2.gz GFPUSUWXLZMMOG-VWLOTQADSA-N 1 2 486.016 2.864 20 0 JFADLO O=C(c1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)c1)N1CCCCC1 ZINC001164913703 721795542 /nfs/dbraw/zinc/79/55/42/721795542.db2.gz GFPUSUWXLZMMOG-VWLOTQADSA-N 1 2 486.016 2.864 20 0 JFADLO CCOC(=O)c1cnc([S@@](C)=O)nc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165023011 721843594 /nfs/dbraw/zinc/84/35/94/721843594.db2.gz WBMJRQCANDINAT-MGBGTMOVSA-N 1 2 476.599 2.509 20 0 JFADLO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164945887 721976720 /nfs/dbraw/zinc/97/67/20/721976720.db2.gz GYCCDMVYOHDBBS-UHFFFAOYSA-N 1 2 465.598 2.530 20 0 JFADLO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164945887 721976723 /nfs/dbraw/zinc/97/67/23/721976723.db2.gz GYCCDMVYOHDBBS-UHFFFAOYSA-N 1 2 465.598 2.530 20 0 JFADLO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164945012 721977180 /nfs/dbraw/zinc/97/71/80/721977180.db2.gz AEQGBDIPMHPENW-UHFFFAOYSA-N 1 2 493.608 2.824 20 0 JFADLO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164945012 721977183 /nfs/dbraw/zinc/97/71/83/721977183.db2.gz AEQGBDIPMHPENW-UHFFFAOYSA-N 1 2 493.608 2.824 20 0 JFADLO C[C@H]1CCCN(C(=O)c2ccc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nc2)C1 ZINC001164945118 721978201 /nfs/dbraw/zinc/97/82/01/721978201.db2.gz CWSBJWUIZPDCMJ-NRFANRHFSA-N 1 2 461.610 2.925 20 0 JFADLO C[C@H]1CCCN(C(=O)c2ccc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nc2)C1 ZINC001164945118 721978205 /nfs/dbraw/zinc/97/82/05/721978205.db2.gz CWSBJWUIZPDCMJ-NRFANRHFSA-N 1 2 461.610 2.925 20 0 JFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1c(Cl)nnc(Cl)c1N1CCOCC1)CC2 ZINC001164948341 721982038 /nfs/dbraw/zinc/98/20/38/721982038.db2.gz LAHWHGSPCYPCMS-UHFFFAOYSA-N 1 2 491.423 2.591 20 0 JFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1c(Cl)nnc(Cl)c1N1CCOCC1)CC2 ZINC001164948341 721982041 /nfs/dbraw/zinc/98/20/41/721982041.db2.gz LAHWHGSPCYPCMS-UHFFFAOYSA-N 1 2 491.423 2.591 20 0 JFADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)cc1 ZINC001164966553 722074633 /nfs/dbraw/zinc/07/46/33/722074633.db2.gz ASSQYVKRAPSKMV-OYRHEFFESA-N 1 2 458.584 2.581 20 0 JFADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)cc1 ZINC001164966553 722074634 /nfs/dbraw/zinc/07/46/34/722074634.db2.gz ASSQYVKRAPSKMV-OYRHEFFESA-N 1 2 458.584 2.581 20 0 JFADLO CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001164995525 722215338 /nfs/dbraw/zinc/21/53/38/722215338.db2.gz JPCZSOQZFFZDHH-ICDZXHCJSA-N 1 2 491.636 2.548 20 0 JFADLO O=C(C[NH+]1CCC(NC(=O)C(F)(F)n2cc(-c3ccccc3)nn2)CC1)Nc1ccccc1 ZINC001264341990 1059576428 /nfs/dbraw/zinc/57/64/28/1059576428.db2.gz ILOVYDKKZRBPIX-UHFFFAOYSA-N 1 2 454.481 2.714 20 0 JFADLO CC(C)(C)OC(=O)CC[C@H]1C[C@@H](C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CO1 ZINC001264342120 1059576929 /nfs/dbraw/zinc/57/69/29/1059576929.db2.gz PHAIFQGSNJPYJO-NQIIRXRSSA-N 1 2 459.587 2.733 20 0 JFADLO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001264367956 1059586868 /nfs/dbraw/zinc/58/68/68/1059586868.db2.gz QPEFZJLOZVOKMX-PBHICJAKSA-N 1 2 463.884 2.636 20 0 JFADLO CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)nn2)C1 ZINC001264845854 1059703819 /nfs/dbraw/zinc/70/38/19/1059703819.db2.gz KVMADSNCVWNZLL-IBGZPJMESA-N 1 2 451.531 2.966 20 0 JFADLO CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001265019305 1059753560 /nfs/dbraw/zinc/75/35/60/1059753560.db2.gz TVLBEAWBJIIGFM-HKUYNNGSSA-N 1 2 459.978 2.909 20 0 JFADLO CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001265019305 1059753584 /nfs/dbraw/zinc/75/35/84/1059753584.db2.gz TVLBEAWBJIIGFM-HKUYNNGSSA-N 1 2 459.978 2.909 20 0 JFADLO CC[NH+](CC)Cc1nc(C2(NC(=O)[C@@H]3CCCN(C(=O)c4ccncc4)C3)CCCC2)no1 ZINC001265780956 1059924204 /nfs/dbraw/zinc/92/42/04/1059924204.db2.gz QJEYYYNABKNMSD-LJQANCHMSA-N 1 2 454.575 2.744 20 0 JFADLO CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001286843793 1061124688 /nfs/dbraw/zinc/12/46/88/1061124688.db2.gz HAFPYPUSFWHAMV-OAQYLSRUSA-N 1 2 484.645 2.642 20 0 JFADLO CC(=O)N1CC[C@@H](CN(C)c2nnc(CC(C)C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001286849485 1061172404 /nfs/dbraw/zinc/17/24/04/1061172404.db2.gz CEEDINOGJMEDLQ-BJKOFHAPSA-N 1 2 468.646 2.682 20 0 JFADLO CC(=O)N1CC[C@@H](CN(C)c2nnc(CC(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001286849485 1061172411 /nfs/dbraw/zinc/17/24/11/1061172411.db2.gz CEEDINOGJMEDLQ-BJKOFHAPSA-N 1 2 468.646 2.682 20 0 JFADLO CC(=O)N1CC[C@H](CN(C)c2nnc(CC(C)C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001286849486 1061172495 /nfs/dbraw/zinc/17/24/95/1061172495.db2.gz CEEDINOGJMEDLQ-DNQXCXABSA-N 1 2 468.646 2.682 20 0 JFADLO CC(=O)N1CC[C@H](CN(C)c2nnc(CC(C)C)n2C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001286849486 1061172505 /nfs/dbraw/zinc/17/25/05/1061172505.db2.gz CEEDINOGJMEDLQ-DNQXCXABSA-N 1 2 468.646 2.682 20 0 JFADLO CC(=O)N1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)[C@H](C)C1 ZINC001286882167 1061309319 /nfs/dbraw/zinc/30/93/19/1061309319.db2.gz FADPNIASHXWHTM-RTWAWAEBSA-N 1 2 498.672 2.932 20 0 JFADLO CC(=O)N1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CCOC[C@@H]2C)[C@H](C)C1 ZINC001286882167 1061309334 /nfs/dbraw/zinc/30/93/34/1061309334.db2.gz FADPNIASHXWHTM-RTWAWAEBSA-N 1 2 498.672 2.932 20 0 JFADLO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1C ZINC001289729085 1061338817 /nfs/dbraw/zinc/33/88/17/1061338817.db2.gz LUIPAOZSLFBYPT-PMACEKPBSA-N 1 2 470.618 2.872 20 0 JFADLO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CC[N@H+]2CCOC(C)(C)C2)cc1C ZINC001289729085 1061338836 /nfs/dbraw/zinc/33/88/36/1061338836.db2.gz LUIPAOZSLFBYPT-PMACEKPBSA-N 1 2 470.618 2.872 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(CC3CC3)nnc2N(C)CCc2ccc(Br)cc2)CC1 ZINC001286888949 1061344907 /nfs/dbraw/zinc/34/49/07/1061344907.db2.gz ACNSODDQVPSYHB-UHFFFAOYSA-N 1 2 489.462 2.836 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)Oc3ccccc3F)nnc2N2CC[C@H](C)[C@@H]2C)CC1 ZINC001286889301 1061347409 /nfs/dbraw/zinc/34/74/09/1061347409.db2.gz IWRMMXOKJDNWDU-FHWLQOOXSA-N 1 2 458.582 2.956 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3csc(C)n3)nnc2N2CC[C@H](CC(C)C)C2)CC1 ZINC001286889760 1061350376 /nfs/dbraw/zinc/35/03/76/1061350376.db2.gz KFDHJHUELIFYLN-HXUWFJFHSA-N 1 2 459.664 2.670 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(CSc3ccc(C)cc3)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001286889881 1061351948 /nfs/dbraw/zinc/35/19/48/1061351948.db2.gz MIDUSEHNHJHFBM-UHFFFAOYSA-N 1 2 496.685 2.721 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(COc3cc(C)ccc3C)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001286889901 1061352246 /nfs/dbraw/zinc/35/22/46/1061352246.db2.gz MUEQHWDYKSUGEC-OYRHEFFESA-N 1 2 454.619 2.730 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3csc(C)n3)nnc2N(CCC(C)C)C2CC2)CC1 ZINC001286890598 1061356228 /nfs/dbraw/zinc/35/62/28/1061356228.db2.gz RWGIJBJXMFPCDB-UHFFFAOYSA-N 1 2 459.664 2.813 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCCOC3)nnc2N(C)[C@@H](C)c2ccccc2F)CC1 ZINC001286890961 1061357632 /nfs/dbraw/zinc/35/76/32/1061357632.db2.gz VHGBPIZIENWRGY-AZUAARDMSA-N 1 2 458.582 2.673 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(N(C)C[C@@H](C)c3ccccc3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001286891010 1061358049 /nfs/dbraw/zinc/35/80/49/1061358049.db2.gz XZRIZYAMOAVJEL-AMGIVPHBSA-N 1 2 498.672 2.723 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccc3F)nnc2N(C)Cc2cccs2)CC1 ZINC001286891391 1061359836 /nfs/dbraw/zinc/35/98/36/1061359836.db2.gz ZGRYIUMYBZRZTC-UHFFFAOYSA-N 1 2 456.591 2.870 20 0 JFADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCCCO3)nnc2N(C)Cc2cc(C)ccc2F)CC1 ZINC001286892664 1061366175 /nfs/dbraw/zinc/36/61/75/1061366175.db2.gz ZIEAFLPFPCJLKC-QFIPXVFZSA-N 1 2 458.582 2.768 20 0 JFADLO Cc1ccc(OC(F)F)c(Cn2c(Cc3ccncc3)nnc2N(C)CC[NH+]2CCOCC2)c1 ZINC001289767880 1061388195 /nfs/dbraw/zinc/38/81/95/1061388195.db2.gz OJIJWYLMUDAWED-UHFFFAOYSA-N 1 2 472.540 2.990 20 0 JFADLO CC(=O)NC1CCC(N(C)c2nnc(C)n2C[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)CC1 ZINC001286901091 1061393850 /nfs/dbraw/zinc/39/38/50/1061393850.db2.gz ARPJSSVTAPANAD-VHYCJAOWSA-N 1 2 454.619 2.852 20 0 JFADLO Cc1ccc(OCc2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H]2CSCCS2)cc1 ZINC001289788797 1061415598 /nfs/dbraw/zinc/41/55/98/1061415598.db2.gz XRKHCRBHYZRLNP-FQEVSTJZSA-N 1 2 463.673 2.783 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCC(CO)CC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1C ZINC001289804634 1061440887 /nfs/dbraw/zinc/44/08/87/1061440887.db2.gz BFFLFVNVSWWGRY-UHFFFAOYSA-N 1 2 470.662 2.709 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCC(CO)CC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1C ZINC001289804634 1061440893 /nfs/dbraw/zinc/44/08/93/1061440893.db2.gz BFFLFVNVSWWGRY-UHFFFAOYSA-N 1 2 470.662 2.709 20 0 JFADLO Cc1ccc(OCc2nnc(N3CC[NH+]([C@H](C)C(=O)N4CCCC4)CC3)n2C[C@](C)(O)C(C)C)cc1 ZINC001289821881 1061484887 /nfs/dbraw/zinc/48/48/87/1061484887.db2.gz VSYSLSKAETWBED-AMGIVPHBSA-N 1 2 498.672 2.705 20 0 JFADLO Cc1ccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H]2CCCCS2(=O)=O)cc1C ZINC001289825304 1061495806 /nfs/dbraw/zinc/49/58/06/1061495806.db2.gz YXNVXLQTTDJHRS-JOCHJYFZSA-N 1 2 475.659 2.972 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001289826303 1061501662 /nfs/dbraw/zinc/50/16/62/1061501662.db2.gz SWPJVWUWUUIZSY-UHFFFAOYSA-N 1 2 491.631 2.579 20 0 JFADLO Cc1ccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001289826303 1061501677 /nfs/dbraw/zinc/50/16/77/1061501677.db2.gz SWPJVWUWUUIZSY-UHFFFAOYSA-N 1 2 491.631 2.579 20 0 JFADLO Cc1ccc(OCCN(C)c2nnc(Cc3ccccn3)n2C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC001289849714 1061522904 /nfs/dbraw/zinc/52/29/04/1061522904.db2.gz SMMGUOHZRVDVBY-OAQYLSRUSA-N 1 2 450.587 2.808 20 0 JFADLO CCC[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccc(N(CC)CC)[nH+]c2)CCO1 ZINC001294096249 1061574663 /nfs/dbraw/zinc/57/46/63/1061574663.db2.gz FVLVHHPMMYNPLT-FQEVSTJZSA-N 1 2 455.607 2.695 20 0 JFADLO Cc1cccc([C@H](Cn2c(C(C)C)nnc2N2CCC(CC(N)=O)CC2)[NH+]2CCOCC2)c1 ZINC001289894477 1061579699 /nfs/dbraw/zinc/57/96/99/1061579699.db2.gz RVFBHUORDQBAAT-QFIPXVFZSA-N 1 2 454.619 2.875 20 0 JFADLO Cc1cccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)n1 ZINC001289931103 1061622513 /nfs/dbraw/zinc/62/25/13/1061622513.db2.gz HIRHIVPDBKOBBT-UHFFFAOYSA-N 1 2 498.941 2.871 20 0 JFADLO CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCc2cccc(C)[nH+]2)CCO1 ZINC001286948521 1061659590 /nfs/dbraw/zinc/65/95/90/1061659590.db2.gz YQYZGPAYPZCKSJ-DNVJHFABSA-N 1 2 484.645 2.874 20 0 JFADLO Cc1cccc(-c2nnc(N3CCN(c4cc[nH+]c(C)n4)CC3)n2CCCOCC(F)F)n1 ZINC001289981356 1061703674 /nfs/dbraw/zinc/70/36/74/1061703674.db2.gz SUDZYRXAEVZGDU-UHFFFAOYSA-N 1 2 458.517 2.745 20 0 JFADLO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001286958024 1061723407 /nfs/dbraw/zinc/72/34/07/1061723407.db2.gz WGGXOFYDEUJNKJ-HXUWFJFHSA-N 1 2 483.642 2.804 20 0 JFADLO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2ccc(C)o2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001286959459 1061728988 /nfs/dbraw/zinc/72/89/88/1061728988.db2.gz XBWKANRZVSXZDL-KRWDZBQOSA-N 1 2 472.615 2.771 20 0 JFADLO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2ccc(C)o2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001286959459 1061729009 /nfs/dbraw/zinc/72/90/09/1061729009.db2.gz XBWKANRZVSXZDL-KRWDZBQOSA-N 1 2 472.615 2.771 20 0 JFADLO Cc1cccc(CCCn2c(COc3ccccc3F)nnc2N2CC(=O)N(C)C[C@H]2C)[nH+]1 ZINC001290009703 1061733729 /nfs/dbraw/zinc/73/37/29/1061733729.db2.gz RUPXAYNUKLAUBR-GOSISDBHSA-N 1 2 452.534 2.999 20 0 JFADLO Cc1cccc(CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)Cc2ccsc2)[nH+]1 ZINC001290010268 1061734396 /nfs/dbraw/zinc/73/43/96/1061734396.db2.gz SDAMZPXYMBFLJI-FQEVSTJZSA-N 1 2 490.655 2.645 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N3CCN(CC(F)F)CC3)n2CCCc2cccc(C)[nH+]2)n1 ZINC001290009726 1061734476 /nfs/dbraw/zinc/73/44/76/1061734476.db2.gz SPGBVLKBTRFPKO-UHFFFAOYSA-N 1 2 458.561 2.863 20 0 JFADLO Cc1cccc(CCCn2c(CN3CCCC3=O)nnc2N2CCN(CC(F)(F)C(F)F)CC2)[nH+]1 ZINC001290010125 1061734595 /nfs/dbraw/zinc/73/45/95/1061734595.db2.gz WUPVHUNJVJWVPU-UHFFFAOYSA-N 1 2 497.541 2.759 20 0 JFADLO Cc1cccc(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)[nH+]1 ZINC001290009701 1061734639 /nfs/dbraw/zinc/73/46/39/1061734639.db2.gz PKKBPIYYZZCOJB-HYVNUMGLSA-N 1 2 452.481 2.721 20 0 JFADLO Cc1cccc(CCCn2c(CCOc3ccccc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)[nH+]1 ZINC001290010427 1061735227 /nfs/dbraw/zinc/73/52/27/1061735227.db2.gz ZUBSUDQWVMBCEU-NRFANRHFSA-N 1 2 498.653 2.706 20 0 JFADLO O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001294226951 1061740549 /nfs/dbraw/zinc/74/05/49/1061740549.db2.gz MHRZCQNSEGKWDZ-OAQYLSRUSA-N 1 2 458.565 2.519 20 0 JFADLO O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001294226951 1061740566 /nfs/dbraw/zinc/74/05/66/1061740566.db2.gz MHRZCQNSEGKWDZ-OAQYLSRUSA-N 1 2 458.565 2.519 20 0 JFADLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2nnc(-c3ccccc3)n2CCCCCO)CC1 ZINC001286971672 1061749449 /nfs/dbraw/zinc/74/94/49/1061749449.db2.gz AQCCJGXCYKUOFO-HXUWFJFHSA-N 1 2 454.619 2.677 20 0 JFADLO CCCCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001294242773 1061752495 /nfs/dbraw/zinc/75/24/95/1061752495.db2.gz OMVQZCBPSVNHSR-SFHVURJKSA-N 1 2 453.591 2.539 20 0 JFADLO CCCCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@H+]1CCOC[C@@H]1C ZINC001294242773 1061752505 /nfs/dbraw/zinc/75/25/05/1061752505.db2.gz OMVQZCBPSVNHSR-SFHVURJKSA-N 1 2 453.591 2.539 20 0 JFADLO CC[N@@H+]1CCO[C@@H](C(=O)Nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2OC)C1 ZINC001290041246 1061756306 /nfs/dbraw/zinc/75/63/06/1061756306.db2.gz WFUGXPYDKFPJPR-LJQANCHMSA-N 1 2 453.948 2.809 20 0 JFADLO CC[N@H+]1CCO[C@@H](C(=O)Nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2OC)C1 ZINC001290041246 1061756327 /nfs/dbraw/zinc/75/63/27/1061756327.db2.gz WFUGXPYDKFPJPR-LJQANCHMSA-N 1 2 453.948 2.809 20 0 JFADLO CCCCn1c(Cc2ccccc2OC)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001294280626 1061771816 /nfs/dbraw/zinc/77/18/16/1061771816.db2.gz ILCQVPPLWPKIRH-HSZRJFAPSA-N 1 2 470.662 2.909 20 0 JFADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCO2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001286978241 1061796449 /nfs/dbraw/zinc/79/64/49/1061796449.db2.gz PPVRMOLYCPNLFE-FUHIMQAGSA-N 1 2 467.611 2.659 20 0 JFADLO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCO2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001286978241 1061796471 /nfs/dbraw/zinc/79/64/71/1061796471.db2.gz PPVRMOLYCPNLFE-FUHIMQAGSA-N 1 2 467.611 2.659 20 0 JFADLO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@H]3CCOC3)n2Cc2c[nH+]ccc2OC)C1 ZINC001294329631 1061849192 /nfs/dbraw/zinc/84/91/92/1061849192.db2.gz LNKPSWDEVATCAH-QRVBRYPASA-N 1 2 456.591 2.755 20 0 JFADLO Cc1ccccc1[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H](C(C)C)[NH+]2CCOCC2)CCO1 ZINC001290145062 1061882910 /nfs/dbraw/zinc/88/29/10/1061882910.db2.gz JVEUNEROIQKUIP-DHIUTWEWSA-N 1 2 484.645 2.659 20 0 JFADLO CC(C)(C)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001287008630 1061934987 /nfs/dbraw/zinc/93/49/87/1061934987.db2.gz BCLQPWZIYKZSAI-SFHVURJKSA-N 1 2 474.009 2.539 20 0 JFADLO Cc1ccccc1OCCCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001290201041 1061943282 /nfs/dbraw/zinc/94/32/82/1061943282.db2.gz DFXLNUYJDWUPOK-HXUWFJFHSA-N 1 2 463.586 2.952 20 0 JFADLO CC(C)(C)[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001287015922 1061951385 /nfs/dbraw/zinc/95/13/85/1061951385.db2.gz ZNCOQSPHCDHWSF-SFHVURJKSA-N 1 2 455.607 2.909 20 0 JFADLO CC(C)(C)[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001287015922 1061951407 /nfs/dbraw/zinc/95/14/07/1061951407.db2.gz ZNCOQSPHCDHWSF-SFHVURJKSA-N 1 2 455.607 2.909 20 0 JFADLO Cc1ccccc1OCCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001290212812 1061957199 /nfs/dbraw/zinc/95/71/99/1061957199.db2.gz DGXZZHPRKRYGCB-UHFFFAOYSA-N 1 2 463.586 2.733 20 0 JFADLO O=C(c1cccn2c(I)cnc12)N1CC[NH+](Cc2cccs2)CC1 ZINC001290225723 1061973710 /nfs/dbraw/zinc/97/37/10/1061973710.db2.gz HYTHQWOHCMVJLA-UHFFFAOYSA-N 1 2 452.321 2.958 20 0 JFADLO CC(C)(C)Cc1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1CCCNc1cccc[nH+]1 ZINC001287030771 1061982300 /nfs/dbraw/zinc/98/23/00/1061982300.db2.gz VBHXFQDMDKTPBB-GOSISDBHSA-N 1 2 463.652 2.530 20 0 JFADLO CC(C)(C)Cc1nnc(N2CCN(CC(F)(F)F)CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001287034107 1061994009 /nfs/dbraw/zinc/99/40/09/1061994009.db2.gz FOOOTQKDTDCJPY-UHFFFAOYSA-N 1 2 481.567 2.831 20 0 JFADLO CCCN(C)c1nnc(COc2ccccc2OC)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001294452439 1061997485 /nfs/dbraw/zinc/99/74/85/1061997485.db2.gz HMQXOYMNPBTORT-UHFFFAOYSA-N 1 2 452.559 2.992 20 0 JFADLO Cc1cn2c([nH+]1)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCc1cccs1)CCC2 ZINC001290286907 1062015479 /nfs/dbraw/zinc/01/54/79/1062015479.db2.gz FJVYVVHOTKMBEW-IRXDYDNUSA-N 1 2 477.660 2.711 20 0 JFADLO Cc1cn2c([nH+]1)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1ccco1)CCC2 ZINC001290287329 1062017030 /nfs/dbraw/zinc/01/70/30/1062017030.db2.gz LLFCLYVONUVWPN-BBWFWOEESA-N 1 2 461.592 2.761 20 0 JFADLO Cc1cn2c([nH+]1)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1ccco1)CCC2 ZINC001290287330 1062017123 /nfs/dbraw/zinc/01/71/23/1062017123.db2.gz LLFCLYVONUVWPN-IKGGRYGDSA-N 1 2 461.592 2.761 20 0 JFADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(C(=O)Nc3ccc(C)c(C)c3)nnc1N(C)CCS(C)(=O)=O)CCC2 ZINC001290287879 1062017951 /nfs/dbraw/zinc/01/79/51/1062017951.db2.gz UFIIOVZGPBSXKP-LJQANCHMSA-N 1 2 499.641 2.711 20 0 JFADLO Cc1cn2c([nH+]1)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OC(C)(C)C)CC1)CCC2 ZINC001290287882 1062018216 /nfs/dbraw/zinc/01/82/16/1062018216.db2.gz UMCCMARTEZGQNC-MSOLQXFVSA-N 1 2 493.678 2.755 20 0 JFADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(N(C)CC(=O)NC(C)(C)C)nnc1[C@]1(OC(C)C)CCOC1)CCC2 ZINC001290296226 1062026137 /nfs/dbraw/zinc/02/61/37/1062026137.db2.gz RIBGBDGMXOOVPA-CLOONOSVSA-N 1 2 487.649 2.752 20 0 JFADLO Cc1cn2c([nH+]1)[C@@H](Cn1c(CCc3ccccc3)nnc1N(C)CCS(C)(=O)=O)CCC2 ZINC001290296565 1062026264 /nfs/dbraw/zinc/02/62/64/1062026264.db2.gz SXZWHJAUHUUXAI-HXUWFJFHSA-N 1 2 456.616 2.627 20 0 JFADLO Cc1coc(C)c1Cn1c(CC(C)C)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001290307632 1062034952 /nfs/dbraw/zinc/03/49/52/1062034952.db2.gz QVDXXPLYJDVDAV-JOCHJYFZSA-N 1 2 458.651 2.966 20 0 JFADLO COc1ccc([C@@H]2CCCN2C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(OC)c1 ZINC001290379344 1062081432 /nfs/dbraw/zinc/08/14/32/1062081432.db2.gz NIFLMHLDCLWAMM-NRFANRHFSA-N 1 2 452.555 2.891 20 0 JFADLO C[N@@H+]1CCN(C(=O)c2cnn3c2N[C@@H](C2CC2)C[C@H]3C(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001294572607 1062086009 /nfs/dbraw/zinc/08/60/09/1062086009.db2.gz KLFRJGSCRFUQPF-UAGQMJEPSA-N 1 2 468.549 2.564 20 0 JFADLO C[N@H+]1CCN(C(=O)c2cnn3c2N[C@@H](C2CC2)C[C@H]3C(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001294572607 1062086032 /nfs/dbraw/zinc/08/60/32/1062086032.db2.gz KLFRJGSCRFUQPF-UAGQMJEPSA-N 1 2 468.549 2.564 20 0 JFADLO Cc1nc(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CC[S@](=O)C(C)(C)C)cs1 ZINC001290400916 1062104319 /nfs/dbraw/zinc/10/43/19/1062104319.db2.gz INVOSEPXUAGAGR-YTTGMZPUSA-N 1 2 482.720 2.728 20 0 JFADLO Cc1nc(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CC[S@](=O)C(C)(C)C)cs1 ZINC001290400916 1062104328 /nfs/dbraw/zinc/10/43/28/1062104328.db2.gz INVOSEPXUAGAGR-YTTGMZPUSA-N 1 2 482.720 2.728 20 0 JFADLO Cc1nc(Cc2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H](C)c2c(C)noc2C)cs1 ZINC001290402506 1062108549 /nfs/dbraw/zinc/10/85/49/1062108549.db2.gz ZDSUMWREKGLCLM-HNNXBMFYSA-N 1 2 459.620 2.811 20 0 JFADLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C2(n3cccn3)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001294658745 1062205230 /nfs/dbraw/zinc/20/52/30/1062205230.db2.gz CHDCXJGGBLICJW-IBGZPJMESA-N 1 2 456.591 2.824 20 0 JFADLO Cc1nc(Cc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CC[N@@H+]2CCOC[C@H]2C)cs1 ZINC001290442161 1062215462 /nfs/dbraw/zinc/21/54/62/1062215462.db2.gz TWAMQBOZDLVYAA-CKEIUWERSA-N 1 2 458.554 2.989 20 0 JFADLO Cc1nc(Cc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CC[N@H+]2CCOC[C@H]2C)cs1 ZINC001290442161 1062215473 /nfs/dbraw/zinc/21/54/73/1062215473.db2.gz TWAMQBOZDLVYAA-CKEIUWERSA-N 1 2 458.554 2.989 20 0 JFADLO CC(C)(C)[S@](=O)CCn1c(CCOc2ccccc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001287087414 1062267136 /nfs/dbraw/zinc/26/71/36/1062267136.db2.gz LMJBXQLPDDEWCT-JTMIDMFHSA-N 1 2 489.686 2.605 20 0 JFADLO CC(C)(C)[S@](=O)CCn1c(CCOc2ccccc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001287087418 1062267206 /nfs/dbraw/zinc/26/72/06/1062267206.db2.gz LMJBXQLPDDEWCT-ZCWHBTPQSA-N 1 2 489.686 2.605 20 0 JFADLO CC(C)(C)[S@@](=O)CCn1c(Cc2cccnc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001287088001 1062268897 /nfs/dbraw/zinc/26/88/97/1062268897.db2.gz MXPCNEDGMBXDRY-YTTGMZPUSA-N 1 2 453.616 2.533 20 0 JFADLO CC(C)(C)[S@](=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001287089577 1062277401 /nfs/dbraw/zinc/27/74/01/1062277401.db2.gz UACIXHPLQQBCIM-HYHKQLJDSA-N 1 2 463.623 2.790 20 0 JFADLO CCCN1CCCN(c2nnc([C@H](C)CC)n2Cc2ccc(N3CCO[C@H](C)C3)[nH+]c2)CC1=O ZINC001294712365 1062282248 /nfs/dbraw/zinc/28/22/48/1062282248.db2.gz RCVXDMDAZIVZDC-WOJBJXKFSA-N 1 2 469.634 2.909 20 0 JFADLO CCCN1CCCN(c2nnc([C@@H](C)CC)n2Cc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)CC1=O ZINC001294712336 1062282321 /nfs/dbraw/zinc/28/23/21/1062282321.db2.gz RCVXDMDAZIVZDC-PMACEKPBSA-N 1 2 469.634 2.909 20 0 JFADLO Cc1ncc(C[NH+]2CCN(c3nnc([C@@]4(OC(C)C)CCOC4)n3CCOC(C)C)CC2)s1 ZINC001290496505 1062285384 /nfs/dbraw/zinc/28/53/84/1062285384.db2.gz LWMRLFGEACYWQU-HSZRJFAPSA-N 1 2 478.663 2.831 20 0 JFADLO Cc1ncc(C[NH+]2CCN(c3nnc(-c4cnn(C)c4)n3CCCOC(F)(F)F)CC2)s1 ZINC001290497125 1062288170 /nfs/dbraw/zinc/28/81/70/1062288170.db2.gz WBDLBRSCIMRCEP-UHFFFAOYSA-N 1 2 470.525 2.692 20 0 JFADLO Cc1ncc(C[NH+]2CCN(c3nnc(C)n3CCNC(=O)c3ccc(C)c(F)c3)CC2)s1 ZINC001290498448 1062290298 /nfs/dbraw/zinc/29/02/98/1062290298.db2.gz ULEXNGFSQIZIEJ-UHFFFAOYSA-N 1 2 457.579 2.551 20 0 JFADLO Cc1ncc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3CCCC(F)(F)F)CC2)s1 ZINC001290498138 1062290435 /nfs/dbraw/zinc/29/04/35/1062290435.db2.gz ONNGGIWJEJXFGO-UHFFFAOYSA-N 1 2 459.542 2.846 20 0 JFADLO Cc1nc(N2CCN(c3nnc(-c4ccc(Br)cc4)n3CCC(=O)N(C)C)CC2)cc[nH+]1 ZINC001290501402 1062293715 /nfs/dbraw/zinc/29/37/15/1062293715.db2.gz MICYDOWOGWEXTC-UHFFFAOYSA-N 1 2 499.417 2.611 20 0 JFADLO Cc1ccccc1-c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1CCSCCCO ZINC001290501720 1062294301 /nfs/dbraw/zinc/29/43/01/1062294301.db2.gz QUZKAMHAQUKGBK-UHFFFAOYSA-N 1 2 453.616 2.794 20 0 JFADLO Cc1nc(N2CCN(c3nnc(-c4ccc(Cl)nc4)n3CCNC(=O)C(C)(C)C)CC2)cc[nH+]1 ZINC001290501573 1062294390 /nfs/dbraw/zinc/29/43/90/1062294390.db2.gz PISFWQRYXPPOIM-UHFFFAOYSA-N 1 2 484.008 2.581 20 0 JFADLO Cc1nc(N2CCN(c3nnc(Cc4ccsc4)n3CC[S@@](=O)C(C)(C)C)CC2)cc[nH+]1 ZINC001290502003 1062295857 /nfs/dbraw/zinc/29/58/57/1062295857.db2.gz VFQJENJMRVZVKV-JGCGQSQUSA-N 1 2 473.672 2.903 20 0 JFADLO Cc1nc(N2CCN(c3nnc([C@H]4CCCOC4)n3CCSCC(F)(F)F)CC2)cc[nH+]1 ZINC001290502088 1062297550 /nfs/dbraw/zinc/29/75/50/1062297550.db2.gz WVJQRMIDABMEGA-INIZCTEOSA-N 1 2 471.553 2.893 20 0 JFADLO CCCN1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCOC[C@@H]2C)CC1=O ZINC001294723651 1062302525 /nfs/dbraw/zinc/30/25/25/1062302525.db2.gz ZTIBLVJEGHKLJB-VQTJNVASSA-N 1 2 488.608 2.727 20 0 JFADLO CCCN1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@H+]2CCOC[C@@H]2C)CC1=O ZINC001294723651 1062302549 /nfs/dbraw/zinc/30/25/49/1062302549.db2.gz ZTIBLVJEGHKLJB-VQTJNVASSA-N 1 2 488.608 2.727 20 0 JFADLO C[C@@H](NC(=O)c1cnc(CC2CCN(C(=O)OC(C)(C)C)CC2)s1)[C@@H]1C[N@H+](C)CCO1 ZINC001294742000 1062328986 /nfs/dbraw/zinc/32/89/86/1062328986.db2.gz NSTCKNZLVYIRHB-WBVHZDCISA-N 1 2 452.621 2.782 20 0 JFADLO C[C@@H](NC(=O)c1cnc(CC2CCN(C(=O)OC(C)(C)C)CC2)s1)[C@@H]1C[N@@H+](C)CCO1 ZINC001294742000 1062329000 /nfs/dbraw/zinc/32/90/00/1062329000.db2.gz NSTCKNZLVYIRHB-WBVHZDCISA-N 1 2 452.621 2.782 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N(C)CC(F)(F)F)n2Cc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)n1 ZINC001290595044 1062417225 /nfs/dbraw/zinc/41/72/25/1062417225.db2.gz ZOVICWNJGLTRMO-KRWDZBQOSA-N 1 2 478.523 2.807 20 0 JFADLO CCN(CC(=O)Nc1c(F)cccc1F)C(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001290600992 1062433751 /nfs/dbraw/zinc/43/37/51/1062433751.db2.gz SYSYSVGBYPPQHF-UHFFFAOYSA-N 1 2 454.518 2.741 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N(C)CC3COC(C)(C)OC3)n2CCCNc2cccc[nH+]2)n1 ZINC001290607122 1062449416 /nfs/dbraw/zinc/44/94/16/1062449416.db2.gz LWZGZSYGBJHDAQ-UHFFFAOYSA-N 1 2 468.606 2.872 20 0 JFADLO CC(C)C(=O)NCCN(C)c1nnc(-c2ccccn2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001287135231 1062457592 /nfs/dbraw/zinc/45/75/92/1062457592.db2.gz YHGXGFOOTRKEEH-UHFFFAOYSA-N 1 2 462.602 2.982 20 0 JFADLO CCCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCNc2cccc[nH+]2)CC1 ZINC001294828415 1062515210 /nfs/dbraw/zinc/51/52/10/1062515210.db2.gz KZONHIKTLFDVMT-FQEVSTJZSA-N 1 2 455.607 2.812 20 0 JFADLO Cc1cc(C)n(Cc2nnc(N3CC[NH+](Cc4cnc(C)s4)CC3)n2C[C@](C)(O)C(C)C)n1 ZINC001290648409 1062545004 /nfs/dbraw/zinc/54/50/04/1062545004.db2.gz UVPAGFYYKANRSQ-QHCPKHFHSA-N 1 2 472.663 2.634 20 0 JFADLO Cc1cc(C)n(CCCn2c(CC(C)C)nnc2N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1 ZINC001290667844 1062578867 /nfs/dbraw/zinc/57/88/67/1062578867.db2.gz RXUCJCDRUOTTLP-DEOSSOPVSA-N 1 2 486.709 2.611 20 0 JFADLO CC(C)c1csc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)(C)C)CC2)n1 ZINC001287169795 1062584466 /nfs/dbraw/zinc/58/44/66/1062584466.db2.gz ODMRKVZJXSVSGF-INIZCTEOSA-N 1 2 466.677 2.729 20 0 JFADLO CC(C)c1nc([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC[N@@H+]3CCOC[C@@H]3C)CCO2)no1 ZINC001287171411 1062588726 /nfs/dbraw/zinc/58/87/26/1062588726.db2.gz WWWPGBROTNAZKQ-ROUUACIJSA-N 1 2 461.611 2.672 20 0 JFADLO CC(C)c1nc([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC[N@H+]3CCOC[C@@H]3C)CCO2)no1 ZINC001287171411 1062588746 /nfs/dbraw/zinc/58/87/46/1062588746.db2.gz WWWPGBROTNAZKQ-ROUUACIJSA-N 1 2 461.611 2.672 20 0 JFADLO CC(C)c1nnc(N(C)CC[NH+]2CCOCC2)n1CCCCn1cc(Br)cn1 ZINC001287184741 1062611174 /nfs/dbraw/zinc/61/11/74/1062611174.db2.gz WWJKWWFSGBHTIE-UHFFFAOYSA-N 1 2 454.417 2.609 20 0 JFADLO CC(C)c1nnc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001287194292 1062624335 /nfs/dbraw/zinc/62/43/35/1062624335.db2.gz MQQJFOJALDUOFX-LJQANCHMSA-N 1 2 472.609 2.794 20 0 JFADLO Cc1nnc(N(C)CC(=O)N(C)[C@H](C)c2ccccc2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001290708452 1062641839 /nfs/dbraw/zinc/64/18/39/1062641839.db2.gz CTFLWZIUXZSUSD-VQTJNVASSA-N 1 2 477.613 2.911 20 0 JFADLO O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC001290723988 1062653182 /nfs/dbraw/zinc/65/31/82/1062653182.db2.gz XQOQZFGAKJSKAH-LEWJYISDSA-N 1 2 453.543 2.774 20 0 JFADLO O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC001290723988 1062653189 /nfs/dbraw/zinc/65/31/89/1062653189.db2.gz XQOQZFGAKJSKAH-LEWJYISDSA-N 1 2 453.543 2.774 20 0 JFADLO CCCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001294917437 1062680396 /nfs/dbraw/zinc/68/03/96/1062680396.db2.gz MYGHVIQHZQSLKE-UHFFFAOYSA-N 1 2 481.626 2.827 20 0 JFADLO CC(C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1cc(C(C)(C)C)no1 ZINC001287215854 1062688382 /nfs/dbraw/zinc/68/83/82/1062688382.db2.gz KERIOSKFCPHRRW-SFHVURJKSA-N 1 2 457.623 2.868 20 0 JFADLO CC(C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001287216161 1062691708 /nfs/dbraw/zinc/69/17/08/1062691708.db2.gz NUOSVDKWTHMSJJ-FQEVSTJZSA-N 1 2 496.660 2.676 20 0 JFADLO COCCOc1cc(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)nc2ccccc21 ZINC001290791375 1062695242 /nfs/dbraw/zinc/69/52/42/1062695242.db2.gz FPGYPJHGIYESOY-UHFFFAOYSA-N 1 2 452.530 2.951 20 0 JFADLO CC(C)c1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1CCC(=O)N1CCOCC1 ZINC001287219140 1062701683 /nfs/dbraw/zinc/70/16/83/1062701683.db2.gz MYFBZUUYKGTZFN-UHFFFAOYSA-N 1 2 461.010 2.626 20 0 JFADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1cccc(NC(=O)c2ccncc2)c1 ZINC001290797906 1062702971 /nfs/dbraw/zinc/70/29/71/1062702971.db2.gz RIBZKVCJPHRLHA-UHFFFAOYSA-N 1 2 458.522 2.796 20 0 JFADLO CC(C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1Cc1cc(F)ccc1F ZINC001287224055 1062711598 /nfs/dbraw/zinc/71/15/98/1062711598.db2.gz RNQFYRNMTOSAOE-OAQYLSRUSA-N 1 2 462.589 2.959 20 0 JFADLO CC(C)c1noc([C@H](C)N2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C)[NH+]3CCOCC3)CC2)n1 ZINC001287232636 1062724025 /nfs/dbraw/zinc/72/40/25/1062724025.db2.gz VMSVKGFSQBVVDU-MOPGFXCFSA-N 1 2 474.654 2.686 20 0 JFADLO CC(C)c1noc([C@@H](C)N2CCN(c3nnc(C(C)(C)C)n3C[C@H](C)[NH+]3CCOCC3)CC2)n1 ZINC001287232641 1062724494 /nfs/dbraw/zinc/72/44/94/1062724494.db2.gz VMSVKGFSQBVVDU-RBUKOAKNSA-N 1 2 474.654 2.686 20 0 JFADLO CC(C)c1noc([C@H](C)N2CCN(c3nnc(C(C)(C)C)n3C[C@H](C)[NH+]3CCOCC3)CC2)n1 ZINC001287232639 1062724632 /nfs/dbraw/zinc/72/46/32/1062724632.db2.gz VMSVKGFSQBVVDU-OALUTQOASA-N 1 2 474.654 2.686 20 0 JFADLO CCCOc1ccc(Cn2c(C)nnc2N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)cc1OC ZINC001294949093 1062735578 /nfs/dbraw/zinc/73/55/78/1062735578.db2.gz JZJWFJTWPVVCAE-QHCPKHFHSA-N 1 2 486.661 2.663 20 0 JFADLO CCCOc1ccc(Cn2c(C)nnc2N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)cc1OC ZINC001294949092 1062735721 /nfs/dbraw/zinc/73/57/21/1062735721.db2.gz JZJWFJTWPVVCAE-HSZRJFAPSA-N 1 2 486.661 2.663 20 0 JFADLO C[C@H]1CCN(C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)C[C@@H]1n1cc[nH+]c1 ZINC001294952135 1062738105 /nfs/dbraw/zinc/73/81/05/1062738105.db2.gz AIYIZTZKNYZANZ-KXBFYZLASA-N 1 2 458.360 2.826 20 0 JFADLO CC(C)[C@H]1OCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001287299088 1062772164 /nfs/dbraw/zinc/77/21/64/1062772164.db2.gz MQGQCPHYXLBWTC-FXAWDEMLSA-N 1 2 495.466 2.876 20 0 JFADLO CC(C)Cc1nnc(N(C)C[C@@H](c2cccs2)N2CCOCC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001287359427 1062828647 /nfs/dbraw/zinc/82/86/47/1062828647.db2.gz FKCBRQNWLLRQLL-SFTDATJTSA-N 1 2 476.691 2.769 20 0 JFADLO CC(C)Cc1nnc(N(C)C[C@@H](c2cccs2)N2CCOCC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001287359427 1062828676 /nfs/dbraw/zinc/82/86/76/1062828676.db2.gz FKCBRQNWLLRQLL-SFTDATJTSA-N 1 2 476.691 2.769 20 0 JFADLO Cc1cc(C[NH+]2CCN(c3nnc(-c4ccc(C)o4)n3CCC(=O)NC(C)(C)C)CC2)on1 ZINC001290970446 1062844642 /nfs/dbraw/zinc/84/46/42/1062844642.db2.gz RQDLIJCZPKPDLO-UHFFFAOYSA-N 1 2 455.563 2.770 20 0 JFADLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2CCN(C(=O)COc3cc(C)cc(C)c3)CC2)cc1 ZINC001295061187 1062872869 /nfs/dbraw/zinc/87/28/69/1062872869.db2.gz QKIDCXVRFHJPCR-DEOSSOPVSA-N 1 2 451.567 2.636 20 0 JFADLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2CCN(C(=O)COc3cc(C)cc(C)c3)CC2)cc1 ZINC001295061187 1062872879 /nfs/dbraw/zinc/87/28/79/1062872879.db2.gz QKIDCXVRFHJPCR-DEOSSOPVSA-N 1 2 451.567 2.636 20 0 JFADLO CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001287443593 1062878448 /nfs/dbraw/zinc/87/84/48/1062878448.db2.gz WUIOPDBYMSIAIJ-PMACEKPBSA-N 1 2 464.655 2.938 20 0 JFADLO CC(C)Cc1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001287448911 1062885683 /nfs/dbraw/zinc/88/56/83/1062885683.db2.gz HFEKUHCFQCMKOR-UXHICEINSA-N 1 2 451.612 2.932 20 0 JFADLO CCN(C)C(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H]([NH+]2CCN(C(C)C)CC2)C1 ZINC001295068602 1062889401 /nfs/dbraw/zinc/88/94/01/1062889401.db2.gz ZMAMCTKLSHRCPH-LJQANCHMSA-N 1 2 474.053 2.682 20 0 JFADLO CCN(C)C(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001295077321 1062905034 /nfs/dbraw/zinc/90/50/34/1062905034.db2.gz YWYBISQRGHTZSF-NRFANRHFSA-N 1 2 491.036 2.852 20 0 JFADLO CCN(C)C(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC001295077324 1062905087 /nfs/dbraw/zinc/90/50/87/1062905087.db2.gz YWYBISQRGHTZSF-OAQYLSRUSA-N 1 2 491.036 2.852 20 0 JFADLO CCN(C)C(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001295084907 1062920663 /nfs/dbraw/zinc/92/06/63/1062920663.db2.gz XZXBNFWZNJVWDD-UHFFFAOYSA-N 1 2 469.977 2.710 20 0 JFADLO CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001295091090 1062926735 /nfs/dbraw/zinc/92/67/35/1062926735.db2.gz YIRJMLTUVVOWNG-JOCHJYFZSA-N 1 2 479.050 2.526 20 0 JFADLO CC(C)Cc1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1Cc1ccc(C(N)=O)nc1 ZINC001287481162 1062935718 /nfs/dbraw/zinc/93/57/18/1062935718.db2.gz BFZKFEVXHKBKGT-UHFFFAOYSA-N 1 2 468.005 2.994 20 0 JFADLO CC(C)Cc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CC1(C)CCOCC1 ZINC001287482432 1062938742 /nfs/dbraw/zinc/93/87/42/1062938742.db2.gz UAORVMJMNPWADL-QFIPXVFZSA-N 1 2 462.683 2.525 20 0 JFADLO CC(C)CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)[NH+]1CCOCC1 ZINC001287586934 1062996351 /nfs/dbraw/zinc/99/63/51/1062996351.db2.gz MBBWHUQPMZCCFZ-PMACEKPBSA-N 1 2 480.654 2.790 20 0 JFADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1CCc1cn2ccccc2[nH+]1 ZINC001291069736 1063018587 /nfs/dbraw/zinc/01/85/87/1063018587.db2.gz FEBBECUPCPSFNK-ZHALLVOQSA-N 1 2 459.620 2.794 20 0 JFADLO CCN(c1nnc(Cc2ccc(F)cc2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295226180 1063045612 /nfs/dbraw/zinc/04/56/12/1063045612.db2.gz KQJWNQZQHWHBRL-IPJJNNNSSA-N 1 2 493.649 2.521 20 0 JFADLO CCN(c1nnc(Cc2ccc(F)cc2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295226181 1063045969 /nfs/dbraw/zinc/04/59/69/1063045969.db2.gz KQJWNQZQHWHBRL-JQVVWYNYSA-N 1 2 493.649 2.521 20 0 JFADLO CCN(c1nnc(Cc2ccc(F)cc2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295226181 1063045987 /nfs/dbraw/zinc/04/59/87/1063045987.db2.gz KQJWNQZQHWHBRL-JQVVWYNYSA-N 1 2 493.649 2.521 20 0 JFADLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2nnc(-c3cccnc3)n2CCCOCC(F)F)CC1 ZINC001291096117 1063056841 /nfs/dbraw/zinc/05/68/41/1063056841.db2.gz YKQMDCPJZRLPBU-LJQANCHMSA-N 1 2 491.587 2.535 20 0 JFADLO CC(C)C[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCCCS2(=O)=O)CC1 ZINC001287769048 1063095401 /nfs/dbraw/zinc/09/54/01/1063095401.db2.gz RGTBTYNIELDNTC-SFHVURJKSA-N 1 2 481.613 2.892 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCC=CO2)CC1 ZINC001295334907 1063243435 /nfs/dbraw/zinc/24/34/35/1063243435.db2.gz ISVQFMZTJZAIRO-QFIPXVFZSA-N 1 2 468.602 2.637 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccn3C)n2CC2(OC)CCC(C)CC2)CC1 ZINC001295335520 1063252820 /nfs/dbraw/zinc/25/28/20/1063252820.db2.gz AGZVGBKEDDCTAJ-UHFFFAOYSA-N 1 2 485.677 2.869 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCC=CO2)CC1 ZINC001295336131 1063256000 /nfs/dbraw/zinc/25/60/00/1063256000.db2.gz MELNARZCDHDJRG-LJQANCHMSA-N 1 2 456.566 2.767 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CCc2sc(C)nc2C)CC1 ZINC001295336345 1063257282 /nfs/dbraw/zinc/25/72/82/1063257282.db2.gz PCBZUGLXAIYMBT-UHFFFAOYSA-N 1 2 470.647 2.580 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccc3)n2CC[C@H]2CCCCO2)CC1 ZINC001295336685 1063259452 /nfs/dbraw/zinc/25/94/52/1063259452.db2.gz VXFSRIHAGBOHIW-JOCHJYFZSA-N 1 2 454.619 2.895 20 0 JFADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(C)CCCO2)CC1 ZINC001295336874 1063261074 /nfs/dbraw/zinc/26/10/74/1063261074.db2.gz ZKGHEJGKHQBYOJ-HSZRJFAPSA-N 1 2 476.025 2.553 20 0 JFADLO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC001291194677 1063328302 /nfs/dbraw/zinc/32/83/02/1063328302.db2.gz BRKWORNWUJWIMG-DLBZAZTESA-N 1 2 484.004 2.967 20 0 JFADLO C[C@H]1CN(c2ccc(Cn3c(N4CCCC[C@@H](S(C)(=O)=O)C4)nnc3C(C)(C)C)c[nH+]2)CCO1 ZINC001291195621 1063334591 /nfs/dbraw/zinc/33/45/91/1063334591.db2.gz VOSFOWYTQCNSDB-AZUAARDMSA-N 1 2 490.674 2.648 20 0 JFADLO C[C@@H]1CN(c2ccc(Cn3c(N4CCCC[C@H](S(C)(=O)=O)C4)nnc3C(C)(C)C)c[nH+]2)CCO1 ZINC001291195623 1063334630 /nfs/dbraw/zinc/33/46/30/1063334630.db2.gz VOSFOWYTQCNSDB-QUCCMNQESA-N 1 2 490.674 2.648 20 0 JFADLO COc1cccc(OCC[NH+]2CCN(C(=O)c3ccc4[nH]c(C(C)(C)CO)nc4c3)CC2)c1 ZINC001295381315 1063353735 /nfs/dbraw/zinc/35/37/35/1063353735.db2.gz HTHUDZISXAIEJD-UHFFFAOYSA-N 1 2 452.555 2.678 20 0 JFADLO CC[NH+](CC)[C@H](Cn1c(Cc2cccnc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1ccco1 ZINC001295407715 1063401230 /nfs/dbraw/zinc/40/12/30/1063401230.db2.gz XSIYYTSJRRCWEI-VQTJNVASSA-N 1 2 472.615 2.563 20 0 JFADLO CCN(CC)c1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)O[C@H](C)C2)c[nH+]1 ZINC001295411180 1063407678 /nfs/dbraw/zinc/40/76/78/1063407678.db2.gz RGYYZOMMRXPVBA-QZTJIDSGSA-N 1 2 464.574 2.829 20 0 JFADLO CCN(CC)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C3CC3)O[C@@H](C)C2)c[nH+]1 ZINC001295411812 1063408979 /nfs/dbraw/zinc/40/89/79/1063408979.db2.gz WUAJLTWECVINSL-PXNSSMCTSA-N 1 2 455.607 2.710 20 0 JFADLO CCN(CC)c1ccc(Cn2c(-c3ccccc3OC)nnc2N2CC[C@](C)(C(N)=O)C2)c[nH+]1 ZINC001295412984 1063412557 /nfs/dbraw/zinc/41/25/57/1063412557.db2.gz JGGNKZYYLWPLQK-VWLOTQADSA-N 1 2 463.586 2.945 20 0 JFADLO CCN(CC)c1ccc(Cn2c(Cc3ccc(F)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)c[nH+]1 ZINC001295419200 1063428283 /nfs/dbraw/zinc/42/82/83/1063428283.db2.gz GSWOLGPLGGZZKC-SFHVURJKSA-N 1 2 465.577 2.964 20 0 JFADLO C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCNc2cccc[nH+]2)CCCO1 ZINC001291215681 1063428502 /nfs/dbraw/zinc/42/85/02/1063428502.db2.gz UGXYCEWWXWDUSL-GOSISDBHSA-N 1 2 470.599 2.861 20 0 JFADLO CCN(CC)c1ccc(Cn2c(COc3ccccc3F)nnc2N2CCN(C)C(=O)[C@H]2C)c[nH+]1 ZINC001295419757 1063429418 /nfs/dbraw/zinc/42/94/18/1063429418.db2.gz RVEBTVFKCIVBAG-GOSISDBHSA-N 1 2 481.576 2.953 20 0 JFADLO CCN(CC)c1ccc(Cn2c(COc3cccc(C)c3)nnc2N2CC[C@H](C(N)=O)C2)c[nH+]1 ZINC001295419918 1063430683 /nfs/dbraw/zinc/43/06/83/1063430683.db2.gz UNTNUINTRYHDGS-FQEVSTJZSA-N 1 2 463.586 2.767 20 0 JFADLO CCN(CC)c1ccc(Cn2c(N3CCC([C@]4(C)NC(=O)NC4=O)CC3)nnc2C(C)(C)C)c[nH+]1 ZINC001295420151 1063432817 /nfs/dbraw/zinc/43/28/17/1063432817.db2.gz XLLYFULXNWVEFF-VWLOTQADSA-N 1 2 482.633 2.680 20 0 JFADLO CCN(CC)c1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC[C@@H](C(=O)OC)C2)c[nH+]1 ZINC001295420602 1063434909 /nfs/dbraw/zinc/43/49/09/1063434909.db2.gz UDPRTEDIRIETOR-OAQYLSRUSA-N 1 2 463.586 2.943 20 0 JFADLO CCCOc1c(Br)cc(C(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)cc1OC ZINC001295426389 1063438736 /nfs/dbraw/zinc/43/87/36/1063438736.db2.gz CAWYDEOQTFZOBD-INIZCTEOSA-N 1 2 455.349 2.756 20 0 JFADLO C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC(=O)N1C ZINC001291246487 1063519644 /nfs/dbraw/zinc/51/96/44/1063519644.db2.gz QIDJSTUSHHMGIL-MNEFBYGVSA-N 1 2 462.545 2.768 20 0 JFADLO C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)Cc2ccc(F)cc2)C[C@@H](C)S1 ZINC001291253672 1063537049 /nfs/dbraw/zinc/53/70/49/1063537049.db2.gz KSALCILCIDBZJZ-LMMKCTJWSA-N 1 2 481.663 2.782 20 0 JFADLO C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C[C@@H](C)S1 ZINC001291253672 1063537066 /nfs/dbraw/zinc/53/70/66/1063537066.db2.gz KSALCILCIDBZJZ-LMMKCTJWSA-N 1 2 481.663 2.782 20 0 JFADLO C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)Cc2ccc(F)cc2)C[C@H](C)S1 ZINC001291253675 1063537717 /nfs/dbraw/zinc/53/77/17/1063537717.db2.gz KSALCILCIDBZJZ-ZIFCJYIRSA-N 1 2 481.663 2.782 20 0 JFADLO C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C[C@H](C)S1 ZINC001291253675 1063537731 /nfs/dbraw/zinc/53/77/31/1063537731.db2.gz KSALCILCIDBZJZ-ZIFCJYIRSA-N 1 2 481.663 2.782 20 0 JFADLO C[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CCS1 ZINC001291276750 1063587514 /nfs/dbraw/zinc/58/75/14/1063587514.db2.gz RDRYNUBPTSIGCW-MAUKXSAKSA-N 1 2 464.586 2.923 20 0 JFADLO C[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CCS1 ZINC001291276752 1063587588 /nfs/dbraw/zinc/58/75/88/1063587588.db2.gz RDRYNUBPTSIGCW-YJBOKZPZSA-N 1 2 464.586 2.923 20 0 JFADLO C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@@H](C)O1 ZINC001291277410 1063590655 /nfs/dbraw/zinc/59/06/55/1063590655.db2.gz CIVXVHPTGONKNN-KZNAEPCWSA-N 1 2 494.434 2.954 20 0 JFADLO C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2CC[N@H+]2CCOC[C@H]2C)C[C@@H](C)O1 ZINC001291277410 1063590669 /nfs/dbraw/zinc/59/06/69/1063590669.db2.gz CIVXVHPTGONKNN-KZNAEPCWSA-N 1 2 494.434 2.954 20 0 JFADLO C[C@@H]1C[N@@H+](CCCn2c(-c3cccc(Cl)c3)nnc2N(C)CCS(C)(=O)=O)C[C@H](C)O1 ZINC001291287796 1063643167 /nfs/dbraw/zinc/64/31/67/1063643167.db2.gz HWXCSFSHMCHUMY-CALCHBBNSA-N 1 2 470.039 2.579 20 0 JFADLO C[C@@H]1C[N@H+](CCCn2c(-c3cccc(Cl)c3)nnc2N(C)CCS(C)(=O)=O)C[C@H](C)O1 ZINC001291287796 1063643172 /nfs/dbraw/zinc/64/31/72/1063643172.db2.gz HWXCSFSHMCHUMY-CALCHBBNSA-N 1 2 470.039 2.579 20 0 JFADLO C[C@H](CS(C)(=O)=O)N(C)c1nnc(Cc2c(F)cccc2F)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291292265 1063675038 /nfs/dbraw/zinc/67/50/38/1063675038.db2.gz BORHPBPPZVBBJD-KZNAEPCWSA-N 1 2 499.628 2.516 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001291307979 1063726507 /nfs/dbraw/zinc/72/65/07/1063726507.db2.gz DVRAIAOPOHZMOD-DOTOQJQBSA-N 1 2 471.528 2.629 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001291307979 1063726519 /nfs/dbraw/zinc/72/65/19/1063726519.db2.gz DVRAIAOPOHZMOD-DOTOQJQBSA-N 1 2 471.528 2.629 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCCCCO ZINC001291307738 1063726588 /nfs/dbraw/zinc/72/65/88/1063726588.db2.gz AKXUDPDDRNJXAW-HXUWFJFHSA-N 1 2 494.681 2.712 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)CCCCCO ZINC001291307738 1063726602 /nfs/dbraw/zinc/72/66/02/1063726602.db2.gz AKXUDPDDRNJXAW-HXUWFJFHSA-N 1 2 494.681 2.712 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC=CCC1 ZINC001291308063 1063727136 /nfs/dbraw/zinc/72/71/36/1063727136.db2.gz GOWPGBYUQTUCAO-VQTJNVASSA-N 1 2 460.623 2.880 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC=CCC1 ZINC001291308063 1063727151 /nfs/dbraw/zinc/72/71/51/1063727151.db2.gz GOWPGBYUQTUCAO-VQTJNVASSA-N 1 2 460.623 2.880 20 0 JFADLO C[C@H]1COCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC001291308345 1063728895 /nfs/dbraw/zinc/72/88/95/1063728895.db2.gz MAMTVPKYDKKCIR-FQEVSTJZSA-N 1 2 486.636 2.618 20 0 JFADLO C[C@H]1COCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC001291308345 1063728906 /nfs/dbraw/zinc/72/89/06/1063728906.db2.gz MAMTVPKYDKKCIR-FQEVSTJZSA-N 1 2 486.636 2.618 20 0 JFADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(Cc2ccccn2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001291308960 1063731785 /nfs/dbraw/zinc/73/17/85/1063731785.db2.gz WDZWNZZQJDFMRR-UXHICEINSA-N 1 2 498.653 2.586 20 0 JFADLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(Cc2ccccn2)n1CC[N@H+]1CCOC[C@H]1C ZINC001291308960 1063731796 /nfs/dbraw/zinc/73/17/96/1063731796.db2.gz WDZWNZZQJDFMRR-UXHICEINSA-N 1 2 498.653 2.586 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CCC(F)(F)F ZINC001291308940 1063732019 /nfs/dbraw/zinc/73/20/19/1063732019.db2.gz VSCVBMBTTUSQEB-CQSZACIVSA-N 1 2 465.480 2.703 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CCC(F)(F)F ZINC001291308940 1063732033 /nfs/dbraw/zinc/73/20/33/1063732033.db2.gz VSCVBMBTTUSQEB-CQSZACIVSA-N 1 2 465.480 2.703 20 0 JFADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(Cc2ccccn2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001291308962 1063732703 /nfs/dbraw/zinc/73/27/03/1063732703.db2.gz WDZWNZZQJDFMRR-WOJBJXKFSA-N 1 2 498.653 2.586 20 0 JFADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(Cc2ccccn2)n1CC[N@H+]1CCOC[C@H]1C ZINC001291308962 1063732719 /nfs/dbraw/zinc/73/27/19/1063732719.db2.gz WDZWNZZQJDFMRR-WOJBJXKFSA-N 1 2 498.653 2.586 20 0 JFADLO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CC2CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001291309284 1063734088 /nfs/dbraw/zinc/73/40/88/1063734088.db2.gz CQDLHJCUOALNMW-UXHICEINSA-N 1 2 454.619 2.607 20 0 JFADLO C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(CC2CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001291309284 1063734100 /nfs/dbraw/zinc/73/41/00/1063734100.db2.gz CQDLHJCUOALNMW-UXHICEINSA-N 1 2 454.619 2.607 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(CC2CC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001291309700 1063735971 /nfs/dbraw/zinc/73/59/71/1063735971.db2.gz LQMCUQKRTXFJIG-UYAOXDASSA-N 1 2 462.639 2.645 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(CC2CC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001291309700 1063735985 /nfs/dbraw/zinc/73/59/85/1063735985.db2.gz LQMCUQKRTXFJIG-UYAOXDASSA-N 1 2 462.639 2.645 20 0 JFADLO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(C(C)(C)C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001291309759 1063736544 /nfs/dbraw/zinc/73/65/44/1063736544.db2.gz MKAWAXITZZSSSF-VQTJNVASSA-N 1 2 456.635 2.952 20 0 JFADLO C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(C(C)(C)C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001291309759 1063736554 /nfs/dbraw/zinc/73/65/54/1063736554.db2.gz MKAWAXITZZSSSF-VQTJNVASSA-N 1 2 456.635 2.952 20 0 JFADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C(C)(C)C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001291310114 1063738707 /nfs/dbraw/zinc/73/87/07/1063738707.db2.gz UAPDTBNASADAPM-ZWKOTPCHSA-N 1 2 463.648 2.897 20 0 JFADLO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C(C)(C)C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001291310114 1063738724 /nfs/dbraw/zinc/73/87/24/1063738724.db2.gz UAPDTBNASADAPM-ZWKOTPCHSA-N 1 2 463.648 2.897 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(COc2ccccc2F)nnc1N(C)CCc1nccs1 ZINC001291310252 1063739604 /nfs/dbraw/zinc/73/96/04/1063739604.db2.gz WVWDEKISRSJXBL-QGZVFWFLSA-N 1 2 460.579 2.852 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(COc2ccccc2F)nnc1N(C)CCc1nccs1 ZINC001291310252 1063739610 /nfs/dbraw/zinc/73/96/10/1063739610.db2.gz WVWDEKISRSJXBL-QGZVFWFLSA-N 1 2 460.579 2.852 20 0 JFADLO C[C@@H]1COCC[N@@H+]1CCn1c(N(C)CCCOc2ccc(S(C)(=O)=O)cc2)nnc1C(C)(C)C ZINC001291310352 1063740062 /nfs/dbraw/zinc/74/00/62/1063740062.db2.gz YJZWOCXCNLZYEM-LJQANCHMSA-N 1 2 493.674 2.605 20 0 JFADLO C[C@@H]1COCC[N@H+]1CCn1c(N(C)CCCOc2ccc(S(C)(=O)=O)cc2)nnc1C(C)(C)C ZINC001291310352 1063740076 /nfs/dbraw/zinc/74/00/76/1063740076.db2.gz YJZWOCXCNLZYEM-LJQANCHMSA-N 1 2 493.674 2.605 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(-c2cnccn2)n1C[C@@H](F)COC ZINC001295747447 1063752666 /nfs/dbraw/zinc/75/26/66/1063752666.db2.gz CQFPFZLTTQSKKP-LJQANCHMSA-N 1 2 454.554 2.858 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)C ZINC001295748602 1063754534 /nfs/dbraw/zinc/75/45/34/1063754534.db2.gz MWVXVNADLDQGAM-GOSISDBHSA-N 1 2 463.652 2.682 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001295750868 1063757964 /nfs/dbraw/zinc/75/79/64/1063757964.db2.gz XLYIULGZGLZVNP-UHFFFAOYSA-N 1 2 483.642 2.615 20 0 JFADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc([C@@H]2CCC(=O)N2)n1CC(F)(F)F ZINC001295751189 1063758419 /nfs/dbraw/zinc/75/84/19/1063758419.db2.gz YMPFMTYSWWYNJM-INIZCTEOSA-N 1 2 451.497 2.929 20 0 JFADLO C[C@@H]1[C@H](C)SCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001291331405 1063787170 /nfs/dbraw/zinc/78/71/70/1063787170.db2.gz ITIIRNSTXVUDHR-YNVMFWSZSA-N 1 2 481.663 2.952 20 0 JFADLO CCN(CCCn1c(C(C)C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)S(C)(=O)=O ZINC001295806133 1063796829 /nfs/dbraw/zinc/79/68/29/1063796829.db2.gz GXWXDAYZMKLEMG-UHFFFAOYSA-N 1 2 492.694 2.622 20 0 JFADLO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001291340866 1063818891 /nfs/dbraw/zinc/81/88/91/1063818891.db2.gz SDGVAXUGLPRIJW-UZLBHIALSA-N 1 2 484.555 2.811 20 0 JFADLO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC001291340865 1063819013 /nfs/dbraw/zinc/81/90/13/1063819013.db2.gz SDGVAXUGLPRIJW-OXQOHEQNSA-N 1 2 484.555 2.811 20 0 JFADLO CC[C@](C)(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001291359427 1063867768 /nfs/dbraw/zinc/86/77/68/1063867768.db2.gz HFBAGIQOKNWPLK-DEOSSOPVSA-N 1 2 484.004 2.744 20 0 JFADLO CC[C@@](C)(O)Cn1c(-c2ccc(Br)cc2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001291362994 1063879707 /nfs/dbraw/zinc/87/97/07/1063879707.db2.gz PRRQTAXDNHTQPI-HXUWFJFHSA-N 1 2 452.397 2.637 20 0 JFADLO CCN(CCS(C)(=O)=O)c1nnc(-c2ccccc2F)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001295876758 1063916220 /nfs/dbraw/zinc/91/62/20/1063916220.db2.gz CMKVPHAKSURVRX-QZTJIDSGSA-N 1 2 481.638 2.843 20 0 JFADLO CCN(CCS(C)(=O)=O)c1nnc(-c2ccccc2F)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001295877301 1063918586 /nfs/dbraw/zinc/91/85/86/1063918586.db2.gz IRNDXHAJZHYEJG-UHFFFAOYSA-N 1 2 472.590 2.999 20 0 JFADLO CC[C@@H](C)[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001291382114 1063922737 /nfs/dbraw/zinc/92/27/37/1063922737.db2.gz RYBUSMPRGBDVPF-BCHFMIIMSA-N 1 2 498.676 2.860 20 0 JFADLO CC[C@H](C)[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cccc[nH+]2)CC1)OC ZINC001291427269 1064010232 /nfs/dbraw/zinc/01/02/32/1064010232.db2.gz IKKNPGAQDLLIPU-KEZQHZCBSA-N 1 2 458.607 2.785 20 0 JFADLO CC[C@@H](C)c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC001291457523 1064023922 /nfs/dbraw/zinc/02/39/22/1064023922.db2.gz NPJQUUHYVYTOFM-DENIHFKCSA-N 1 2 470.618 2.726 20 0 JFADLO CC[C@H](C)c1nnc(N(Cc2ccco2)C[C@@H]2CCCO2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291465346 1064027469 /nfs/dbraw/zinc/02/74/69/1064027469.db2.gz KFJPYSGVWDPYRZ-UGKGYDQZSA-N 1 2 458.607 2.734 20 0 JFADLO CC[C@H](C)c1nnc(N2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001291468079 1064029335 /nfs/dbraw/zinc/02/93/35/1064029335.db2.gz HHXSWQHOBMQCRZ-BJLQDIEVSA-N 1 2 457.623 2.668 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001291482183 1064037209 /nfs/dbraw/zinc/03/72/09/1064037209.db2.gz JRVRWZCPEDQBLY-PCCBWWKXSA-N 1 2 460.667 2.987 20 0 JFADLO CC[C@H](C)c1nnc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001291482183 1064037222 /nfs/dbraw/zinc/03/72/22/1064037222.db2.gz JRVRWZCPEDQBLY-PCCBWWKXSA-N 1 2 460.667 2.987 20 0 JFADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccccc1C(=O)c1ccc(Br)cc1 ZINC001295984394 1064041780 /nfs/dbraw/zinc/04/17/80/1064041780.db2.gz HXJFGDXFASJWHN-SFHVURJKSA-N 1 2 456.296 2.917 20 0 JFADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccccc1C(=O)c1ccc(Br)cc1 ZINC001295984394 1064041786 /nfs/dbraw/zinc/04/17/86/1064041786.db2.gz HXJFGDXFASJWHN-SFHVURJKSA-N 1 2 456.296 2.917 20 0 JFADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cc1csc(-c2sccc2Br)n1 ZINC001295986300 1064042898 /nfs/dbraw/zinc/04/28/98/1064042898.db2.gz ZEPBXYUZEUZQMB-LBPRGKRZSA-N 1 2 455.359 2.800 20 0 JFADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cc1csc(-c2sccc2Br)n1 ZINC001295986300 1064042905 /nfs/dbraw/zinc/04/29/05/1064042905.db2.gz ZEPBXYUZEUZQMB-LBPRGKRZSA-N 1 2 455.359 2.800 20 0 JFADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC2CCCCC2)C[C@H]1C ZINC001295993300 1064048416 /nfs/dbraw/zinc/04/84/16/1064048416.db2.gz CSALSKTWDSEXAV-AABGKKOBSA-N 1 2 467.680 2.839 20 0 JFADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC2CCCCC2)C[C@H]1C ZINC001295993300 1064048423 /nfs/dbraw/zinc/04/84/23/1064048423.db2.gz CSALSKTWDSEXAV-AABGKKOBSA-N 1 2 467.680 2.839 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001291503944 1064055540 /nfs/dbraw/zinc/05/55/40/1064055540.db2.gz HXTURMHXTDODJI-QGZVFWFLSA-N 1 2 489.621 2.930 20 0 JFADLO CC[C@H](C)c1nnc(N2CCCO[C@H](c3ccccc3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001291572290 1064098712 /nfs/dbraw/zinc/09/87/12/1064098712.db2.gz KCNZTGYCPRZMCZ-REWPJTCUSA-N 1 2 454.619 2.924 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1Cc1ccc(OC)nc1OC ZINC001291615025 1064152244 /nfs/dbraw/zinc/15/22/44/1064152244.db2.gz POKNSWHZOFCVLV-MRXNPFEDSA-N 1 2 452.563 2.677 20 0 JFADLO CC[C@H](C)c1nnc(N2CC[NH+](Cc3cc(C)no3)CC2)n1CCCNC(=O)c1cccc(O)c1 ZINC001291628066 1064170098 /nfs/dbraw/zinc/17/00/98/1064170098.db2.gz HFVRTAPMUDIEDF-SFHVURJKSA-N 1 2 481.601 2.936 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCN(Cc3ccc(OC)c(F)c3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001291630514 1064176352 /nfs/dbraw/zinc/17/63/52/1064176352.db2.gz UGDHCVHBIHMYRX-UXHICEINSA-N 1 2 474.625 2.982 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCN(Cc3ccc(OC)c(F)c3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001291630514 1064176358 /nfs/dbraw/zinc/17/63/58/1064176358.db2.gz UGDHCVHBIHMYRX-UXHICEINSA-N 1 2 474.625 2.982 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCN(Cc3ccc(OC)c(F)c3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001291630516 1064176451 /nfs/dbraw/zinc/17/64/51/1064176451.db2.gz UGDHCVHBIHMYRX-WOJBJXKFSA-N 1 2 474.625 2.982 20 0 JFADLO CC[C@@H](C)c1nnc(N2CCN(Cc3ccc(OC)c(F)c3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001291630516 1064176453 /nfs/dbraw/zinc/17/64/53/1064176453.db2.gz UGDHCVHBIHMYRX-WOJBJXKFSA-N 1 2 474.625 2.982 20 0 JFADLO CC[C@H](C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCCOC(F)(F)F ZINC001291639695 1064188091 /nfs/dbraw/zinc/18/80/91/1064188091.db2.gz OCCZRUCMYACDPO-OALUTQOASA-N 1 2 476.588 2.949 20 0 JFADLO Cc1nc(NCc2cccc(C(=O)N[C@H](Cc3ccccc3)C(=O)N3CCOCC3)c2)cc[nH+]1 ZINC001296114689 1064195923 /nfs/dbraw/zinc/19/59/23/1064195923.db2.gz ZRBYOEQEVZFOEB-HSZRJFAPSA-N 1 2 459.550 2.597 20 0 JFADLO CC[C@@H](C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001291743715 1064232891 /nfs/dbraw/zinc/23/28/91/1064232891.db2.gz HZCNPSPBGSJWCJ-MOPGFXCFSA-N 1 2 467.618 2.785 20 0 JFADLO CC[C@@H](C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC[N@H+]1CCOC[C@@H]1C ZINC001291743715 1064232900 /nfs/dbraw/zinc/23/29/00/1064232900.db2.gz HZCNPSPBGSJWCJ-MOPGFXCFSA-N 1 2 467.618 2.785 20 0 JFADLO CCN1CC[NH+]([C@@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001296133580 1064234037 /nfs/dbraw/zinc/23/40/37/1064234037.db2.gz JBPJPTNZABPUDU-OALUTQOASA-N 1 2 463.026 2.762 20 0 JFADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC001296134343 1064235753 /nfs/dbraw/zinc/23/57/53/1064235753.db2.gz NMXQVLXPCSDZGP-PQNGQFLHSA-N 1 2 486.661 2.753 20 0 JFADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CCO[C@@](C)(CC)C2)CC1 ZINC001296134837 1064237538 /nfs/dbraw/zinc/23/75/38/1064237538.db2.gz RBRVIKUABMAZCE-RLWLMLJZSA-N 1 2 486.661 2.897 20 0 JFADLO CCN1CC[NH+]([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001296135445 1064239325 /nfs/dbraw/zinc/23/93/25/1064239325.db2.gz YKDBSHGABLJDIO-TZIWHRDSSA-N 1 2 496.578 2.959 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001296154403 1064265035 /nfs/dbraw/zinc/26/50/35/1064265035.db2.gz NEWQDZQQDBLSMC-SJORKVTESA-N 1 2 452.024 2.954 20 0 JFADLO CC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C ZINC001296154403 1064265044 /nfs/dbraw/zinc/26/50/44/1064265044.db2.gz NEWQDZQQDBLSMC-SJORKVTESA-N 1 2 452.024 2.954 20 0 JFADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)c2cccc(OC)c2)C[C@H]1C ZINC001296162202 1064275928 /nfs/dbraw/zinc/27/59/28/1064275928.db2.gz TZBNMLHLTYUFDO-RTBURBONSA-N 1 2 475.659 2.697 20 0 JFADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)c2cccc(OC)c2)C[C@H]1C ZINC001296162202 1064275941 /nfs/dbraw/zinc/27/59/41/1064275941.db2.gz TZBNMLHLTYUFDO-RTBURBONSA-N 1 2 475.659 2.697 20 0 JFADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2SC)C[C@H]1C ZINC001296163509 1064278154 /nfs/dbraw/zinc/27/81/54/1064278154.db2.gz XNXHBHTUAJNREJ-IEBWSBKVSA-N 1 2 463.673 2.789 20 0 JFADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2SC)C[C@H]1C ZINC001296163509 1064278164 /nfs/dbraw/zinc/27/81/64/1064278164.db2.gz XNXHBHTUAJNREJ-IEBWSBKVSA-N 1 2 463.673 2.789 20 0 JFADLO CC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CCS(=O)(=O)CC2CC2)C[C@H]1C ZINC001296166186 1064286722 /nfs/dbraw/zinc/28/67/22/1064286722.db2.gz MDYCYRGGLMWBKV-LJQANCHMSA-N 1 2 461.632 2.521 20 0 JFADLO CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CCS(=O)(=O)CC2CC2)C[C@H]1C ZINC001296166186 1064286737 /nfs/dbraw/zinc/28/67/37/1064286737.db2.gz MDYCYRGGLMWBKV-LJQANCHMSA-N 1 2 461.632 2.521 20 0 JFADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCc3ccccc3Cl)C2)CC1 ZINC001296173412 1064295982 /nfs/dbraw/zinc/29/59/82/1064295982.db2.gz FWOPPITWCALJAM-HXUWFJFHSA-N 1 2 474.053 2.529 20 0 JFADLO CC[C@@H](C)NC(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001291796394 1064304211 /nfs/dbraw/zinc/30/42/11/1064304211.db2.gz JUFZELZWFSCDFQ-GOSISDBHSA-N 1 2 478.601 2.684 20 0 JFADLO Cc1cc(Br)cn2cc(CCNC(=O)[C@H]3CC(C(=O)OC(C)(C)C)=NO3)[nH+]c12 ZINC001296199695 1064375255 /nfs/dbraw/zinc/37/52/55/1064375255.db2.gz GGERHIFOOONNIL-OAHLLOKOSA-N 1 2 451.321 2.551 20 0 JFADLO CCn1nc(-c2nnc(N(C)CCOC(C)(C)C)n2C[C@H](C)[NH+]2CCOCC2)c2ccccc2c1=O ZINC001296216994 1064424985 /nfs/dbraw/zinc/42/49/85/1064424985.db2.gz UWZCNJAOBRGZTO-IBGZPJMESA-N 1 2 497.644 2.647 20 0 JFADLO CC[C@H](c1nnc(N2CCC(CNC(C)=O)CC2)n1C[C@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC001291870417 1064482943 /nfs/dbraw/zinc/48/29/43/1064482943.db2.gz VFRZKFVNASPIGI-RDPSFJRHSA-N 1 2 468.646 2.893 20 0 JFADLO CC[C@@H](c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1Cc1ccc(N(C)C)[nH+]c1)c1ccccc1 ZINC001291875966 1064495523 /nfs/dbraw/zinc/49/55/23/1064495523.db2.gz YVDSHFZRTROISW-JOCHJYFZSA-N 1 2 497.669 2.847 20 0 JFADLO CC[C@@H](c1nnc(N2CCCN(C(C)=O)CC2)n1C[C@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC001291881150 1064503433 /nfs/dbraw/zinc/50/34/33/1064503433.db2.gz LYFSMVUUDIRLOK-NZQKXSOJSA-N 1 2 454.619 2.599 20 0 JFADLO CC[C@@H](c1nnc(N2CCN(C(=O)OC)[C@@H](C)C2)n1C[C@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC001291887889 1064509250 /nfs/dbraw/zinc/50/92/50/1064509250.db2.gz NYWBYLNISYPDDT-JAXLGGSGSA-N 1 2 470.618 2.818 20 0 JFADLO CC[C@H](c1nnc(N2CCN(C(=O)OC)[C@@H](C)C2)n1C[C@@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC001291887892 1064509392 /nfs/dbraw/zinc/50/93/92/1064509392.db2.gz NYWBYLNISYPDDT-URVUXULASA-N 1 2 470.618 2.818 20 0 JFADLO CCC(CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCS(=O)(=O)CC1)[NH+]1CCOCC1 ZINC001291964104 1064577988 /nfs/dbraw/zinc/57/79/88/1064577988.db2.gz SXGJVLWACSYTHS-JOCHJYFZSA-N 1 2 475.659 2.625 20 0 JFADLO CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1C(C)C)[NH+]1CCOCC1 ZINC001291968494 1064584514 /nfs/dbraw/zinc/58/45/14/1064584514.db2.gz PWQIAFNWYJKLLP-FKBYEOEOSA-N 1 2 481.707 2.942 20 0 JFADLO O=C(NCCNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)c1ccc(Br)cc1 ZINC001291971308 1064586501 /nfs/dbraw/zinc/58/65/01/1064586501.db2.gz DHVGNNIFIICREX-UHFFFAOYSA-N 1 2 456.344 2.918 20 0 JFADLO COCCOC(=O)Nc1cccc(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)c1 ZINC001292015083 1064644356 /nfs/dbraw/zinc/64/43/56/1064644356.db2.gz FCTACRHMNROQQL-FQEVSTJZSA-N 1 2 457.531 2.851 20 0 JFADLO COCCOC(=O)Nc1cccc(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)c1 ZINC001292015083 1064644362 /nfs/dbraw/zinc/64/43/62/1064644362.db2.gz FCTACRHMNROQQL-FQEVSTJZSA-N 1 2 457.531 2.851 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C2)n1C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC001292046683 1064711610 /nfs/dbraw/zinc/71/16/10/1064711610.db2.gz VBYUOAQLCPBIET-FUHWJXTLSA-N 1 2 455.611 2.543 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C2)n1C[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC001292046683 1064711624 /nfs/dbraw/zinc/71/16/24/1064711624.db2.gz VBYUOAQLCPBIET-FUHWJXTLSA-N 1 2 455.611 2.543 20 0 JFADLO COc1cc(/C=C/C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc(Br)c1O ZINC001292057904 1064727761 /nfs/dbraw/zinc/72/77/61/1064727761.db2.gz LPUTXUOVAZBXJJ-LSTKMXGYSA-N 1 2 457.390 2.501 20 0 JFADLO CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC001292059205 1064728622 /nfs/dbraw/zinc/72/86/22/1064728622.db2.gz UAGCDLAHQVKLKZ-KGVIQGDOSA-N 1 2 451.589 2.574 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1C[C@H](C)c1nccs1 ZINC001292062920 1064734656 /nfs/dbraw/zinc/73/46/56/1064734656.db2.gz IPFBWBUPNFGKRS-ICSRJNTNSA-N 1 2 488.706 2.673 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1CC1(C)CCCC1 ZINC001292063285 1064736259 /nfs/dbraw/zinc/73/62/59/1064736259.db2.gz QKTIDTHFOKFLHA-NRFANRHFSA-N 1 2 459.683 2.993 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1Cc1ccc(F)cc1F ZINC001292063686 1064737953 /nfs/dbraw/zinc/73/79/53/1064737953.db2.gz XTEZNQZQTBLLLW-NRFANRHFSA-N 1 2 489.615 2.739 20 0 JFADLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)cc1 ZINC001292109112 1064806924 /nfs/dbraw/zinc/80/69/24/1064806924.db2.gz KDEHROPFFPCMOM-QFIPXVFZSA-N 1 2 457.596 2.761 20 0 JFADLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)cc1 ZINC001292109112 1064806932 /nfs/dbraw/zinc/80/69/32/1064806932.db2.gz KDEHROPFFPCMOM-QFIPXVFZSA-N 1 2 457.596 2.761 20 0 JFADLO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3C)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001292115579 1064833604 /nfs/dbraw/zinc/83/36/04/1064833604.db2.gz JKIBSHRVBLJPBB-UHFFFAOYSA-N 1 2 497.688 2.942 20 0 JFADLO CC[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1)OC ZINC001292180631 1064970451 /nfs/dbraw/zinc/97/04/51/1064970451.db2.gz PIKJWNPFFWEEIO-FQEVSTJZSA-N 1 2 461.010 2.768 20 0 JFADLO CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1)OC ZINC001292183034 1064973270 /nfs/dbraw/zinc/97/32/70/1064973270.db2.gz CHZHSCLQNPXPRV-QUCCMNQESA-N 1 2 458.607 2.795 20 0 JFADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)c1ccc(S(=O)(=O)C2CCC2)cc1 ZINC001292183153 1064973656 /nfs/dbraw/zinc/97/36/56/1064973656.db2.gz QFEHDCLFULFSCP-UHFFFAOYSA-N 1 2 458.580 2.654 20 0 JFADLO CC[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)OC ZINC001292184312 1064975271 /nfs/dbraw/zinc/97/52/71/1064975271.db2.gz BXKUFDXZPRKSPF-UZLBHIALSA-N 1 2 461.010 2.813 20 0 JFADLO CC[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1)OC ZINC001292187857 1064981004 /nfs/dbraw/zinc/98/10/04/1064981004.db2.gz ZWMCBBNWAJRPEZ-IBGZPJMESA-N 1 2 491.036 2.777 20 0 JFADLO CC[C@@H](Cn1c(COc2cccc(C)c2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)OC ZINC001292252274 1065034958 /nfs/dbraw/zinc/03/49/58/1065034958.db2.gz PIVNVUOXTCIYSH-YADHBBJMSA-N 1 2 484.645 2.723 20 0 JFADLO COC(=O)[C@H](CCC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)NC(=O)OCc1ccccc1 ZINC001292277841 1065054506 /nfs/dbraw/zinc/05/45/06/1065054506.db2.gz JIWNXBRKIQKLPL-IBGZPJMESA-N 1 2 457.527 2.914 20 0 JFADLO CC[C@]1(C)CC[C@H](Cn2c([C@H](C)OCCOC)nnc2N2CCN(c3cc[nH+]c(C)n3)CC2)O1 ZINC001292298874 1065069902 /nfs/dbraw/zinc/06/99/02/1065069902.db2.gz HHYMHRBVMJFOQS-MFSJNOQSSA-N 1 2 473.622 2.775 20 0 JFADLO Cc1nc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC001292330509 1065087536 /nfs/dbraw/zinc/08/75/36/1065087536.db2.gz MZWLEEDAVXAMLZ-UHFFFAOYSA-N 1 2 452.466 2.514 20 0 JFADLO CC[C@@]1(C)CN(c2nnc(COc3ccccc3OC)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001292378605 1065122082 /nfs/dbraw/zinc/12/20/82/1065122082.db2.gz GIMWURLYVUPBGY-DVECYGJZSA-N 1 2 459.591 2.592 20 0 JFADLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCN(C(=O)c3cccc(Cl)c3)CC1)CC2 ZINC001292469177 1065195272 /nfs/dbraw/zinc/19/52/72/1065195272.db2.gz UNPFHJNHCISKNB-UHFFFAOYSA-N 1 2 457.958 2.700 20 0 JFADLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCN(C(=O)c3cccc(Cl)c3)CC1)CC2 ZINC001292469177 1065195273 /nfs/dbraw/zinc/19/52/73/1065195273.db2.gz UNPFHJNHCISKNB-UHFFFAOYSA-N 1 2 457.958 2.700 20 0 JFADLO CCc1ccc(-c2nnc(N3CC[NH+]([C@H](C)C(=O)N4CCCC4)CC3)n2CCCC(=O)N(C)C)cc1 ZINC001292518642 1065243015 /nfs/dbraw/zinc/24/30/15/1065243015.db2.gz RFPOIBYHIKKAJM-OAQYLSRUSA-N 1 2 495.672 2.509 20 0 JFADLO CCc1ccc([C@@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)[nH+]c2)o1 ZINC001292538085 1065262207 /nfs/dbraw/zinc/26/22/07/1065262207.db2.gz OJUQJYWXWIIXCC-LPHOPBHVSA-N 1 2 487.630 2.895 20 0 JFADLO CCc1ccc(Cn2c(N(C)CC[NH+]3CCOCC3)nnc2[C@]2(OC(C)C)CCOC2)s1 ZINC001292559635 1065274522 /nfs/dbraw/zinc/27/45/22/1065274522.db2.gz KHWZTMNFPDHFGL-QHCPKHFHSA-N 1 2 463.648 2.759 20 0 JFADLO CCc1ccccc1NC(=O)CN(C)c1nnc(CC2CCCC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001292579017 1065292589 /nfs/dbraw/zinc/29/25/89/1065292589.db2.gz NIHLOUIXDJTLHH-UHFFFAOYSA-N 1 2 495.672 2.812 20 0 JFADLO CCc1ccccc1NC(=O)CN1CCN(c2nnc([C@H](C)CC)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001292579484 1065294905 /nfs/dbraw/zinc/29/49/05/1065294905.db2.gz SDBMNQIXQAHSOK-YADHBBJMSA-N 1 2 497.688 2.835 20 0 JFADLO CCc1ccccc1NC(=O)CN1CCN(c2nnc([C@H](C)CC)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001292579484 1065294914 /nfs/dbraw/zinc/29/49/14/1065294914.db2.gz SDBMNQIXQAHSOK-YADHBBJMSA-N 1 2 497.688 2.835 20 0 JFADLO CCc1ccccc1OCc1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1ncnn1C(C)(C)C ZINC001292588113 1065303452 /nfs/dbraw/zinc/30/34/52/1065303452.db2.gz ZGOUMZGVFJKUPP-UHFFFAOYSA-N 1 2 482.633 2.583 20 0 JFADLO CCc1ccccc1OCc1nnc(N2CCC[C@](C)(OC)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001292605342 1065330503 /nfs/dbraw/zinc/33/05/03/1065330503.db2.gz YLHABLJKWLBEAK-MHZLTWQESA-N 1 2 498.672 2.979 20 0 JFADLO CCc1ccccc1OCc1nnc(N2CCC[C@H](NC(C)=O)C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001292605451 1065331120 /nfs/dbraw/zinc/33/11/20/1065331120.db2.gz JBIXUZOISSDIFR-QHCPKHFHSA-N 1 2 497.688 2.550 20 0 JFADLO CCc1ccccc1OCc1nnc(N2CCC[C@H](NC(C)=O)C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001292605451 1065331128 /nfs/dbraw/zinc/33/11/28/1065331128.db2.gz JBIXUZOISSDIFR-QHCPKHFHSA-N 1 2 497.688 2.550 20 0 JFADLO CCc1nc(C)c([C@@H](C)N(C)c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)s1 ZINC001292673450 1065413345 /nfs/dbraw/zinc/41/33/45/1065413345.db2.gz KWWHRPGLBQNWFE-UYAOXDASSA-N 1 2 489.690 2.861 20 0 JFADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)[C@@H](C)c3ccc(F)c(F)c3)cc2)CC1 ZINC001292705389 1065460959 /nfs/dbraw/zinc/46/09/59/1065460959.db2.gz CSEKMJNRDLALJK-SFHVURJKSA-N 1 2 459.537 2.970 20 0 JFADLO CCc1nc(CCn2c(CC(C)C)nnc2N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)cs1 ZINC001292711775 1065467866 /nfs/dbraw/zinc/46/78/66/1065467866.db2.gz SSLXOSCARHHHLR-LJQANCHMSA-N 1 2 473.691 2.871 20 0 JFADLO O=C(NCCN1CCOCC1)c1ccc(NC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)cc1 ZINC001292734176 1065495513 /nfs/dbraw/zinc/49/55/13/1065495513.db2.gz TXNWDVLKJZFTIO-OYRHEFFESA-N 1 2 451.571 2.753 20 0 JFADLO COc1ccccc1C[NH+]1CCN(C(=O)CNS(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 ZINC001292770942 1065527440 /nfs/dbraw/zinc/52/74/40/1065527440.db2.gz VOCTVFFHISQAFQ-UHFFFAOYSA-N 1 2 459.612 2.552 20 0 JFADLO CCc1nnc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)CC[NH+]2CCOCC2)s1 ZINC001292785645 1065547367 /nfs/dbraw/zinc/54/73/67/1065547367.db2.gz IOEPYTWWWPAFQZ-MRXNPFEDSA-N 1 2 475.594 2.788 20 0 JFADLO CCc1nnc(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001292801912 1065560004 /nfs/dbraw/zinc/56/00/04/1065560004.db2.gz IFUDJUCWRUEXTP-KRWDZBQOSA-N 1 2 471.631 2.975 20 0 JFADLO CCc1nnc(N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001292814681 1065564931 /nfs/dbraw/zinc/56/49/31/1065564931.db2.gz DYEPHJNMBDLARN-FQEVSTJZSA-N 1 2 477.613 2.776 20 0 JFADLO CCc1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001292840653 1065572878 /nfs/dbraw/zinc/57/28/78/1065572878.db2.gz ORTSSTMXMLMVBP-HNNXBMFYSA-N 1 2 478.523 2.898 20 0 JFADLO CCc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001292918151 1065604377 /nfs/dbraw/zinc/60/43/77/1065604377.db2.gz BAQYYAZIGZEXLD-HNNXBMFYSA-N 1 2 466.508 2.857 20 0 JFADLO O=C(NCCOC[C@@H]1CCOC1)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001292922585 1065609335 /nfs/dbraw/zinc/60/93/35/1065609335.db2.gz ZWRTZSIVFKIVTQ-HXUWFJFHSA-N 1 2 458.990 2.840 20 0 JFADLO CCc1nnc(N2CCC(CNC(C)=O)CC2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001292961646 1065643683 /nfs/dbraw/zinc/64/36/83/1065643683.db2.gz HFALFYMLKCZRGT-QHCPKHFHSA-N 1 2 454.619 2.575 20 0 JFADLO CCc1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001292971125 1065652426 /nfs/dbraw/zinc/65/24/26/1065652426.db2.gz QLQNQEUNAJWXGY-LJQANCHMSA-N 1 2 484.617 2.672 20 0 JFADLO CCc1ccccc1N1CC(=O)C(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)=N1 ZINC001292988294 1065675515 /nfs/dbraw/zinc/67/55/15/1065675515.db2.gz WPEJZUAQWGKLDC-UHFFFAOYSA-N 1 2 453.587 2.595 20 0 JFADLO CCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001293089535 1065738229 /nfs/dbraw/zinc/73/82/29/1065738229.db2.gz KEHHZIBZDPUPGN-GOSISDBHSA-N 1 2 471.606 2.566 20 0 JFADLO CCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1Cc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC001293089890 1065738979 /nfs/dbraw/zinc/73/89/79/1065738979.db2.gz XCZWRXDCGSBRRJ-OALUTQOASA-N 1 2 485.633 2.955 20 0 JFADLO CCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCc1ccc(Cl)c(OC)c1 ZINC001293093659 1065742076 /nfs/dbraw/zinc/74/20/76/1065742076.db2.gz IDQPKVSXUXZJLE-SFHVURJKSA-N 1 2 475.037 2.878 20 0 JFADLO CCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCc1ccccc1OC(F)F ZINC001293095901 1065745775 /nfs/dbraw/zinc/74/57/75/1065745775.db2.gz TZFYDBNJRVIJSB-GOSISDBHSA-N 1 2 476.572 2.818 20 0 JFADLO CCc1nnc(N2CCN(c3nc(C)cc(OC)n3)CC2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001293111207 1065757082 /nfs/dbraw/zinc/75/70/82/1065757082.db2.gz MWXLXPKBNHCVFV-LJQANCHMSA-N 1 2 486.571 2.855 20 0 JFADLO CCc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1C[C@](C)(O)c1ccccc1Cl ZINC001293129967 1065780552 /nfs/dbraw/zinc/78/05/52/1065780552.db2.gz CROFBXMZBZEPBH-CPJSRVTESA-N 1 2 491.080 2.633 20 0 JFADLO CCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1C[C@](C)(O)c1ccccc1Cl ZINC001293129969 1065781036 /nfs/dbraw/zinc/78/10/36/1065781036.db2.gz CROFBXMZBZEPBH-NLFFAJNJSA-N 1 2 491.080 2.633 20 0 JFADLO CCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCc1cc(F)cc(F)c1 ZINC001293131240 1065782692 /nfs/dbraw/zinc/78/26/92/1065782692.db2.gz NEKUPRDGODHMLK-JOCHJYFZSA-N 1 2 462.589 2.593 20 0 JFADLO CCc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1C[C@H](C)Oc1ccccc1OC ZINC001293132386 1065785062 /nfs/dbraw/zinc/78/50/62/1065785062.db2.gz VZMOOWKFZGNSJT-VXKWHMMOSA-N 1 2 486.661 2.548 20 0 JFADLO CCc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1C[C@@H](C)Oc1ccccc1OC ZINC001293132387 1065785190 /nfs/dbraw/zinc/78/51/90/1065785190.db2.gz VZMOOWKFZGNSJT-YADHBBJMSA-N 1 2 486.661 2.548 20 0 JFADLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1ccc(C)c(S(N)(=O)=O)c1 ZINC001293138392 1065788794 /nfs/dbraw/zinc/78/87/94/1065788794.db2.gz UUVOHVGFPOYMKD-UHFFFAOYSA-N 1 2 456.568 2.970 20 0 JFADLO CCOc1ccc(S(=O)(=O)NCCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC001293222246 1065876770 /nfs/dbraw/zinc/87/67/70/1065876770.db2.gz IEVHKLRLKQUMPB-RMKNXTFCSA-N 1 2 457.596 2.611 20 0 JFADLO O=C(NCCN1CCN(C(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)CC1)c1ccccc1F ZINC001293247070 1065911540 /nfs/dbraw/zinc/91/15/40/1065911540.db2.gz XDBYMFNLLGQGBG-BGYRXZFFSA-N 1 2 453.562 2.766 20 0 JFADLO CC[C@@H]1C(=O)NCCN1c1nnc(CSc2ccc(Cl)cc2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001293247012 1065911647 /nfs/dbraw/zinc/91/16/47/1065911647.db2.gz LJBKFDUXFCLYEL-QFBILLFUSA-N 1 2 479.050 2.659 20 0 JFADLO CC[C@@H]1[C@H](C)CCN1c1nnc([C@@H](C)OCCOC)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001293260507 1065923381 /nfs/dbraw/zinc/92/33/81/1065923381.db2.gz YOJYLXLTSNNVTI-GLHSZLCASA-N 1 2 467.680 2.835 20 0 JFADLO CC[C@H]1C[C@H](C)CN1c1nnc(Cc2ccccc2OC)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001293316285 1065946413 /nfs/dbraw/zinc/94/64/13/1065946413.db2.gz PBTZCYUTTBCUDL-UGKGYDQZSA-N 1 2 454.619 2.666 20 0 JFADLO CC[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001293402514 1065994869 /nfs/dbraw/zinc/99/48/69/1065994869.db2.gz KXAJHDYYJGJEKI-LJQANCHMSA-N 1 2 460.573 2.938 20 0 JFADLO CC[C@@H]1CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC001293419388 1066001526 /nfs/dbraw/zinc/00/15/26/1066001526.db2.gz YFTNLYSFYOZPCA-CEMLEFRQSA-N 1 2 490.674 2.649 20 0 JFADLO CC[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001293452426 1066011393 /nfs/dbraw/zinc/01/13/93/1066011393.db2.gz OFPQHYWILGELCM-AZUAARDMSA-N 1 2 458.582 2.958 20 0 JFADLO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCCCCC3)[nH+]c2)CCO1 ZINC001293511126 1066037112 /nfs/dbraw/zinc/03/71/12/1066037112.db2.gz VUGRFDQTEPLKGI-HXUWFJFHSA-N 1 2 455.607 2.855 20 0 JFADLO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCS(C)(=O)=O)CC[N@@H+]1CCOC ZINC001293554353 1066068966 /nfs/dbraw/zinc/06/89/66/1066068966.db2.gz UFNMEMGMCOSEJC-MRXNPFEDSA-N 1 2 490.457 2.844 20 0 JFADLO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCS(C)(=O)=O)CC[N@H+]1CCOC ZINC001293554353 1066068978 /nfs/dbraw/zinc/06/89/78/1066068978.db2.gz UFNMEMGMCOSEJC-MRXNPFEDSA-N 1 2 490.457 2.844 20 0 JFADLO CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2CCS(=O)(=O)C(C)(C)C)CC[N@@H+]1CCOC ZINC001293568149 1066080460 /nfs/dbraw/zinc/08/04/60/1066080460.db2.gz NLLDPMIOZWCDAV-IBGZPJMESA-N 1 2 493.674 2.714 20 0 JFADLO CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2CCS(=O)(=O)C(C)(C)C)CC[N@H+]1CCOC ZINC001293568149 1066080472 /nfs/dbraw/zinc/08/04/72/1066080472.db2.gz NLLDPMIOZWCDAV-IBGZPJMESA-N 1 2 493.674 2.714 20 0 JFADLO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCC(F)(F)CC2)CC[N@@H+]1CCOC ZINC001293599708 1066114615 /nfs/dbraw/zinc/11/46/15/1066114615.db2.gz NXCIGYONMABMHS-RTBURBONSA-N 1 2 489.633 2.553 20 0 JFADLO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCC(F)(F)CC2)CC[N@H+]1CCOC ZINC001293599708 1066114619 /nfs/dbraw/zinc/11/46/19/1066114619.db2.gz NXCIGYONMABMHS-RTBURBONSA-N 1 2 489.633 2.553 20 0 JFADLO CC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC[S@@](=O)CC)C[C@@H]1[NH+]1CCOCC1 ZINC001293613459 1066131012 /nfs/dbraw/zinc/13/10/12/1066131012.db2.gz SAZCDKFLVQIBKA-SFRIUKSWSA-N 1 2 480.078 2.838 20 0 JFADLO CC[C@H]1CN(c2nnc(CC3CCCC3)n2CCS(=O)(=O)C(C)(C)C)CC[N@@H+]1CCOC ZINC001293625206 1066140619 /nfs/dbraw/zinc/14/06/19/1066140619.db2.gz CENLXEOYNVHPKN-FQEVSTJZSA-N 1 2 469.696 2.771 20 0 JFADLO CC[C@H]1CN(c2nnc(CC3CCCC3)n2CCS(=O)(=O)C(C)(C)C)CC[N@H+]1CCOC ZINC001293625206 1066140626 /nfs/dbraw/zinc/14/06/26/1066140626.db2.gz CENLXEOYNVHPKN-FQEVSTJZSA-N 1 2 469.696 2.771 20 0 JFADLO CC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)C[C@@H](C)O1 ZINC001293630009 1066144903 /nfs/dbraw/zinc/14/49/03/1066144903.db2.gz NDELEUPRQCFSJC-HLIPFELVSA-N 1 2 476.572 2.985 20 0 JFADLO CC[C@H]1CN(c2nnc(COc3ccc(OC)cc3)n2CC[N@@H+]2CCOC[C@@H]2C)CCS1 ZINC001293643597 1066158879 /nfs/dbraw/zinc/15/88/79/1066158879.db2.gz FSIMHAQWZRCATO-RXVVDRJESA-N 1 2 461.632 2.918 20 0 JFADLO CC[C@H]1CN(c2nnc(COc3ccc(OC)cc3)n2CC[N@H+]2CCOC[C@@H]2C)CCS1 ZINC001293643597 1066158883 /nfs/dbraw/zinc/15/88/83/1066158883.db2.gz FSIMHAQWZRCATO-RXVVDRJESA-N 1 2 461.632 2.918 20 0 JFADLO Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)Nc3cc(C[NH+]4CCOCC4)ccc3C)cc12 ZINC001293695501 1066176521 /nfs/dbraw/zinc/17/65/21/1066176521.db2.gz AHJJOFSDKWTXEJ-MRXNPFEDSA-N 1 2 455.584 2.841 20 0 JFADLO CC/C=C/Cn1c(COc2ccc(OC)cc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001293726116 1066184615 /nfs/dbraw/zinc/18/46/15/1066184615.db2.gz MPTFDOMPQQRWLI-LYSGITKLSA-N 1 2 482.629 2.965 20 0 JFADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1 ZINC001293763284 1066249880 /nfs/dbraw/zinc/24/98/80/1066249880.db2.gz IURPBQOIOCHBJS-MSOLQXFVSA-N 1 2 459.591 2.608 20 0 JFADLO CCC[C@@](C)(O)Cn1c(Cc2ccccc2C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001293830748 1066335166 /nfs/dbraw/zinc/33/51/66/1066335166.db2.gz BSSWXXZNZDQFCW-WXVAWEFUSA-N 1 2 482.673 2.861 20 0 JFADLO CCC[C@H](C)C(=O)NCCn1c(-c2ccccn2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001293855218 1066362617 /nfs/dbraw/zinc/36/26/17/1066362617.db2.gz FTHOUJUEEHUDBD-SFHVURJKSA-N 1 2 482.658 2.980 20 0 JFADLO CCC[C@@H](C)C(=O)NCCn1c(CC(C)(C)C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001293861858 1066371176 /nfs/dbraw/zinc/37/11/76/1066371176.db2.gz SRNQYJHLRCPRSQ-RTWAWAEBSA-N 1 2 489.709 2.552 20 0 JFADLO CC(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)NCCCNc1cccc[nH+]1 ZINC001293928538 1066408042 /nfs/dbraw/zinc/40/80/42/1066408042.db2.gz GUDLAUVAUKFECU-LJQANCHMSA-N 1 2 458.360 2.991 20 0 JFADLO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CC2([NH+]3CCOCC3)CC2)C1 ZINC001293934117 1066414527 /nfs/dbraw/zinc/41/45/27/1066414527.db2.gz WDDMTFBPOMIBBL-VQTJNVASSA-N 1 2 460.667 2.962 20 0 JFADLO CCC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1)OC ZINC001293968285 1066468460 /nfs/dbraw/zinc/46/84/60/1066468460.db2.gz CDVHQFCMZZAENS-AZUAARDMSA-N 1 2 457.623 2.658 20 0 JFADLO CCC[C@@H](Cn1c(CC2CCCC2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)OC ZINC001293983533 1066488405 /nfs/dbraw/zinc/48/84/05/1066488405.db2.gz HYWDLMPDTRYXKD-UNMCSNQZSA-N 1 2 460.667 2.959 20 0 JFADLO COc1ccc(N2C(=O)CC[C@H](C(=O)NCC[NH+]3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000033362364 563110514 /nfs/dbraw/zinc/11/05/14/563110514.db2.gz UOUXYBGEACAVNO-NVQXNPDNSA-N 1 2 497.592 2.645 20 0 JFADLO