smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1noc(C)c1-c1nc(C)cc([C@H]2CCCC[N@H+]2Cc2nccn2C(C)C)n1 ZINC000257326487 212026374 /nfs/dbraw/zinc/02/63/74/212026374.db2.gz WXJOYZJDWDMIPG-LJQANCHMSA-N 1 2 394.523 4.561 40 0 GJABLO Cc1noc(C)c1-c1nc(C)cc([C@H]2CCCC[N@@H+]2Cc2nccn2C(C)C)n1 ZINC000257326487 212026377 /nfs/dbraw/zinc/02/63/77/212026377.db2.gz WXJOYZJDWDMIPG-LJQANCHMSA-N 1 2 394.523 4.561 40 0 GJABLO c1csc(Nc2nccc([C@H]3CCCC[N@H+]3Cc3ccc4[nH]ccc4c3)n2)n1 ZINC000072378113 205340030 /nfs/dbraw/zinc/34/00/30/205340030.db2.gz WARVKXIIVPOFBB-LJQANCHMSA-N 1 2 390.516 4.885 40 0 GJABLO c1csc(Nc2nccc([C@H]3CCCC[N@@H+]3Cc3ccc4[nH]ccc4c3)n2)n1 ZINC000072378113 205340034 /nfs/dbraw/zinc/34/00/34/205340034.db2.gz WARVKXIIVPOFBB-LJQANCHMSA-N 1 2 390.516 4.885 40 0 GJABLO Cc1ncc(C[N@@H+]2CCO[C@@H](c3cccc(Cc4ccccc4Cl)n3)C2)s1 ZINC000257217225 206160467 /nfs/dbraw/zinc/16/04/67/206160467.db2.gz CYCRFGYPKKJQFF-OAQYLSRUSA-N 1 2 399.947 4.664 40 0 GJABLO Cc1ncc(C[N@H+]2CCO[C@@H](c3cccc(Cc4ccccc4Cl)n3)C2)s1 ZINC000257217225 206160471 /nfs/dbraw/zinc/16/04/71/206160471.db2.gz CYCRFGYPKKJQFF-OAQYLSRUSA-N 1 2 399.947 4.664 40 0 GJABLO Cc1nn(Cc2ccc(F)cc2)c(C)c1NCc1c(C)[nH+]c2c(C)cccn12 ZINC000019715800 210287266 /nfs/dbraw/zinc/28/72/66/210287266.db2.gz HOYBSPIXEBNPRX-UHFFFAOYSA-N 1 2 377.467 4.564 40 0 GJABLO O=S(=O)(Nc1ccc([NH+]2CCCCC2)cc1)c1cc(Cl)ccc1Cl ZINC000107417995 136191899 /nfs/dbraw/zinc/19/18/99/136191899.db2.gz BNMDBLCKHAZOTG-UHFFFAOYSA-N 1 2 385.316 4.785 40 0 GJABLO Cc1cc(N2CCN(c3cc(Cl)ccc3C)CC2)nc(-c2ccccc2)[nH+]1 ZINC000001350804 136193196 /nfs/dbraw/zinc/19/31/96/136193196.db2.gz JNDSLAJVUZDXML-UHFFFAOYSA-N 1 2 378.907 4.740 40 0 GJABLO CC[C@H](C)Nc1nc(Nc2cc(Cl)ccc2OC)cc(-c2ccccc2)[nH+]1 ZINC000329016846 570212650 /nfs/dbraw/zinc/21/26/50/570212650.db2.gz NITJNOGZARXGKX-AWEZNQCLSA-N 1 2 382.895 4.603 40 0 GJABLO Cc1nc(Nc2cccc(Cl)c2)cc(N2CCc3cc([C@@H](C)O)ccc3C2)[nH+]1 ZINC000329033309 570213735 /nfs/dbraw/zinc/21/37/35/570213735.db2.gz QTMDJRDWVGMSTB-CQSZACIVSA-N 1 2 394.906 4.798 40 0 GJABLO Cc1nc(N2CCc3cc([C@@H](C)O)ccc3C2)cc(Nc2cccc(Cl)c2)[nH+]1 ZINC000329033309 570213736 /nfs/dbraw/zinc/21/37/36/570213736.db2.gz QTMDJRDWVGMSTB-CQSZACIVSA-N 1 2 394.906 4.798 40 0 GJABLO Fc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)c(Cl)c1 ZINC000329069002 570216976 /nfs/dbraw/zinc/21/69/76/570216976.db2.gz YTZVJKJHQGXHSM-UHFFFAOYSA-N 1 2 382.870 4.878 40 0 GJABLO Cc1ccc2[nH+]cc(-c3cccc([C@@H]4CCCN(C(=O)c5ccccc5)C4)n3)n2c1 ZINC000585262802 570231221 /nfs/dbraw/zinc/23/12/21/570231221.db2.gz HKTIVKHNBQTNKY-HXUWFJFHSA-N 1 2 396.494 4.725 40 0 GJABLO Oc1ccc(-c2[nH+]c3ccc(Br)cn3c2NC2CCCC2)c(O)c1 ZINC000000904251 570515654 /nfs/dbraw/zinc/51/56/54/570515654.db2.gz UCKRTHCAVQAVRA-UHFFFAOYSA-N 1 2 388.265 4.530 40 0 GJABLO Cc1ccc([N@H+](C)CCCNC(=O)c2cc(Br)ccc2Cl)cc1 ZINC000225075878 570547561 /nfs/dbraw/zinc/54/75/61/570547561.db2.gz GYAXRZWSVMLJDW-UHFFFAOYSA-N 1 2 395.728 4.667 40 0 GJABLO Cc1ccc([N@@H+](C)CCCNC(=O)c2cc(Br)ccc2Cl)cc1 ZINC000225075878 570547565 /nfs/dbraw/zinc/54/75/65/570547565.db2.gz GYAXRZWSVMLJDW-UHFFFAOYSA-N 1 2 395.728 4.667 40 0 GJABLO O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038857104 570588183 /nfs/dbraw/zinc/58/81/83/570588183.db2.gz XYINYWHSFNUKOY-UHFFFAOYSA-N 1 2 379.769 4.856 40 0 GJABLO Cc1ccc([C@@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c2ccccc2)cc1 ZINC000044938127 570644839 /nfs/dbraw/zinc/64/48/39/570644839.db2.gz WOMKFGRAVRXRPP-DEOSSOPVSA-N 1 2 381.479 4.759 40 0 GJABLO CCC(C)(C)n1nnnc1[C@H](c1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000013561742 570851735 /nfs/dbraw/zinc/85/17/35/570851735.db2.gz BEXJYLKRNFENCW-PBHICJAKSA-N 1 2 395.473 4.658 40 0 GJABLO CCC(C)(C)n1nnnc1[C@H](c1cccc(C(F)(F)F)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000013561742 570851736 /nfs/dbraw/zinc/85/17/36/570851736.db2.gz BEXJYLKRNFENCW-PBHICJAKSA-N 1 2 395.473 4.658 40 0 GJABLO Cc1nn(C[C@H](C)c2cc(NCCc3ccccc3C)nc(C)[nH+]2)c(C)c1C ZINC000019717899 571040587 /nfs/dbraw/zinc/04/05/87/571040587.db2.gz GZPXVSZUJRSPJS-INIZCTEOSA-N 1 2 377.536 4.674 40 0 GJABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(NCCCO)n2)ccc1C(C)C ZINC000328961038 571047044 /nfs/dbraw/zinc/04/70/44/571047044.db2.gz BAFPQVFFGMHZPU-UHFFFAOYSA-N 1 2 376.504 4.535 40 0 GJABLO Cc1ccnc(-n2cccc2C[N@H+](Cc2cccnc2)Cc2ccccc2F)c1 ZINC000019238218 210236368 /nfs/dbraw/zinc/23/63/68/210236368.db2.gz CNFDXYYPFZGTAJ-UHFFFAOYSA-N 1 2 386.474 4.917 40 0 GJABLO Cc1ccnc(-n2cccc2C[N@@H+](Cc2cccnc2)Cc2ccccc2F)c1 ZINC000019238218 210236372 /nfs/dbraw/zinc/23/63/72/210236372.db2.gz CNFDXYYPFZGTAJ-UHFFFAOYSA-N 1 2 386.474 4.917 40 0 GJABLO COc1cc2c(cc1OC)[C@H](c1ccc(F)c(F)c1)[NH2+][C@H](c1ncccc1C)C2 ZINC000019237831 210234570 /nfs/dbraw/zinc/23/45/70/210234570.db2.gz YEJFKXIIFKTWLA-CVDCTZTESA-N 1 2 396.437 4.662 40 0 GJABLO Clc1ccc2c(c1)[C@H]1OCCC[C@@H]1C1(CC[NH+](Cc3nccs3)CC1)O2 ZINC000257309229 212021809 /nfs/dbraw/zinc/02/18/09/212021809.db2.gz UABVXOCPQOZHKU-QFBILLFUSA-N 1 2 390.936 4.691 40 0 GJABLO COc1ccc(C2(C(=O)N3CCC(Cc4cc[nH+]c(C)c4)CC3)CCCC2)cc1 ZINC000257255049 212012661 /nfs/dbraw/zinc/01/26/61/212012661.db2.gz KFWOFSWPKQSCCM-UHFFFAOYSA-N 1 2 392.543 4.692 40 0 GJABLO CC[C@H](C)Nc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000329058245 209159610 /nfs/dbraw/zinc/15/96/10/209159610.db2.gz WBDFZFISZNLKOE-JTQLQIEISA-N 1 2 384.833 4.824 40 0 GJABLO Cc1cc(F)ccc1Nc1cc(-c2ccccc2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000328959812 209154040 /nfs/dbraw/zinc/15/40/40/209154040.db2.gz AUXCBVZCVFAPPL-HXUWFJFHSA-N 1 2 380.467 4.764 40 0 GJABLO Cc1[nH+]cc(NC(=O)c2ccco2)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041124293 205078727 /nfs/dbraw/zinc/07/87/27/205078727.db2.gz POTIIDFTBAIGSX-UHFFFAOYSA-N 1 2 384.848 4.803 40 0 GJABLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](Cc1ccco1)Cc1ccccn1 ZINC000057797187 205160962 /nfs/dbraw/zinc/16/09/62/205160962.db2.gz IKJPDNYUEMLSQP-UHFFFAOYSA-N 1 2 386.499 4.988 40 0 GJABLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](Cc1ccco1)Cc1ccccn1 ZINC000057797187 205160966 /nfs/dbraw/zinc/16/09/66/205160966.db2.gz IKJPDNYUEMLSQP-UHFFFAOYSA-N 1 2 386.499 4.988 40 0 GJABLO CCn1ccnc1C[N@@H+]1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1 ZINC000072358237 205333692 /nfs/dbraw/zinc/33/36/92/205333692.db2.gz UXLFIHKRAZKJLF-NRFANRHFSA-N 1 2 380.923 4.879 40 0 GJABLO CCn1ccnc1C[N@H+]1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1 ZINC000072358237 205333695 /nfs/dbraw/zinc/33/36/95/205333695.db2.gz UXLFIHKRAZKJLF-NRFANRHFSA-N 1 2 380.923 4.879 40 0 GJABLO CCn1cc(C[N@@H+]2CCO[C@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)c(C)n1 ZINC000257245451 206167095 /nfs/dbraw/zinc/16/70/95/206167095.db2.gz IPOQFTBXQLSEIQ-QFIPXVFZSA-N 1 2 396.922 4.500 40 0 GJABLO CCn1cc(C[N@H+]2CCO[C@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)c(C)n1 ZINC000257245451 206167100 /nfs/dbraw/zinc/16/71/00/206167100.db2.gz IPOQFTBXQLSEIQ-QFIPXVFZSA-N 1 2 396.922 4.500 40 0 GJABLO C[C@@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000226253096 136192557 /nfs/dbraw/zinc/19/25/57/136192557.db2.gz GZISLDFUROHAAU-QGZVFWFLSA-N 1 2 395.547 4.963 40 0 GJABLO C[C@@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000226253096 136192558 /nfs/dbraw/zinc/19/25/58/136192558.db2.gz GZISLDFUROHAAU-QGZVFWFLSA-N 1 2 395.547 4.963 40 0 GJABLO Cc1c(Br)cccc1Nc1cc(C2CC2)[nH+]c(NC(C)(C)C)n1 ZINC000328999265 570211226 /nfs/dbraw/zinc/21/12/26/570211226.db2.gz JVJDONCGLMXNBI-UHFFFAOYSA-N 1 2 375.314 4.801 40 0 GJABLO CC[C@H](C)Nc1nc(Nc2ccccc2C(F)(F)F)cc(-c2ccccc2)[nH+]1 ZINC000329043080 570214445 /nfs/dbraw/zinc/21/44/45/570214445.db2.gz SQYLHTLRUMKPMW-AWEZNQCLSA-N 1 2 386.421 4.960 40 0 GJABLO Cc1ccc(C(=O)Nc2nc([C@H]3CCC[N@@H+]3Cc3ncccc3C)cs2)cc1 ZINC000585273534 570241782 /nfs/dbraw/zinc/24/17/82/570241782.db2.gz QJKVMHUDACWFAD-HXUWFJFHSA-N 1 2 392.528 4.744 40 0 GJABLO Cc1ccc(C(=O)Nc2nc([C@H]3CCC[N@H+]3Cc3ncccc3C)cs2)cc1 ZINC000585273534 570241784 /nfs/dbraw/zinc/24/17/84/570241784.db2.gz QJKVMHUDACWFAD-HXUWFJFHSA-N 1 2 392.528 4.744 40 0 GJABLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc[nH+]c2NC2CCCCC2)cc1 ZINC000072214028 570314121 /nfs/dbraw/zinc/31/41/21/570314121.db2.gz NCZNHFICAFCKSI-NRFANRHFSA-N 1 2 399.560 4.660 40 0 GJABLO O=C(OCc1ccccc1)N1CCC[C@H]1c1ccc[nH+]c1N1CCCCCC1 ZINC000072216698 570317942 /nfs/dbraw/zinc/31/79/42/570317942.db2.gz XLYFKQCHIZZSGE-NRFANRHFSA-N 1 2 379.504 4.936 40 0 GJABLO Cc1cc2[nH]c(C3CCN(C(=S)Nc4ccc(F)cc4)CC3)[nH+]c2cc1C ZINC000035311823 570467058 /nfs/dbraw/zinc/46/70/58/570467058.db2.gz NZMQNTQLHHPPDG-UHFFFAOYSA-N 1 2 382.508 4.895 40 0 GJABLO S=C(Nc1ccc(Nc2ccccc2)cc1)N1CC[NH+](Cc2ccco2)CC1 ZINC000225215014 570557042 /nfs/dbraw/zinc/55/70/42/570557042.db2.gz UYGMHEBVCZBCST-UHFFFAOYSA-N 1 2 392.528 4.538 40 0 GJABLO CCc1ccccc1NC(=O)C[NH+]1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000005625541 570665504 /nfs/dbraw/zinc/66/55/04/570665504.db2.gz YAIVVWHZASCTTJ-UHFFFAOYSA-N 1 2 396.922 4.597 40 0 GJABLO CCc1ccc(C[N@H+](Cc2ccnn2[C@H]2CCCCO2)Cc2cccnc2)cc1 ZINC000057796915 570703855 /nfs/dbraw/zinc/70/38/55/570703855.db2.gz QRZRMGRUOYEVJX-XMMPIXPASA-N 1 2 390.531 4.742 40 0 GJABLO CCc1ccc(C[N@@H+](Cc2ccnn2[C@H]2CCCCO2)Cc2cccnc2)cc1 ZINC000057796915 570703859 /nfs/dbraw/zinc/70/38/59/570703859.db2.gz QRZRMGRUOYEVJX-XMMPIXPASA-N 1 2 390.531 4.742 40 0 GJABLO COc1ccc(CC[N@@H+]2CCOc3nc4c(cccc4C(C)C)cc3C2)cc1 ZINC000013563823 570852144 /nfs/dbraw/zinc/85/21/44/570852144.db2.gz ZCXNZELPNHEAJB-UHFFFAOYSA-N 1 2 376.500 4.804 40 0 GJABLO COc1ccc(CC[N@H+]2CCOc3nc4c(cccc4C(C)C)cc3C2)cc1 ZINC000013563823 570852146 /nfs/dbraw/zinc/85/21/46/570852146.db2.gz ZCXNZELPNHEAJB-UHFFFAOYSA-N 1 2 376.500 4.804 40 0 GJABLO COc1ccc(C[N@H+](Cc2ccncc2)Cc2ccc(F)c(F)c2)c(OC)c1 ZINC000013989856 570868457 /nfs/dbraw/zinc/86/84/57/570868457.db2.gz CVGMNJWYBTXZHA-UHFFFAOYSA-N 1 2 384.426 4.579 40 0 GJABLO COc1ccc(C[N@@H+](Cc2ccncc2)Cc2ccc(F)c(F)c2)c(OC)c1 ZINC000013989856 570868461 /nfs/dbraw/zinc/86/84/61/570868461.db2.gz CVGMNJWYBTXZHA-UHFFFAOYSA-N 1 2 384.426 4.579 40 0 GJABLO c1ccc(C2=N[C@@H](N3CCCCC3)[C@@H]([NH+]3CCCCC3)N2c2ccccc2)cc1 ZINC000019328773 570975112 /nfs/dbraw/zinc/97/51/12/570975112.db2.gz PBHACELTUMHJRL-DQEYMECFSA-N 1 2 388.559 4.577 40 0 GJABLO CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3Cc3ccccn3)cc2N1 ZINC000019451296 570985506 /nfs/dbraw/zinc/98/55/06/570985506.db2.gz PPQIESSCKGCQRH-RYQLBKOJSA-N 1 2 393.457 4.559 40 0 GJABLO CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCC[N@H+]3Cc3ccccn3)cc2N1 ZINC000019451296 570985507 /nfs/dbraw/zinc/98/55/07/570985507.db2.gz PPQIESSCKGCQRH-RYQLBKOJSA-N 1 2 393.457 4.559 40 0 GJABLO CCNc1nc(Nc2ccc(C)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329065041 209158961 /nfs/dbraw/zinc/15/89/61/209158961.db2.gz XNSKMBDWZRLIRF-UHFFFAOYSA-N 1 2 388.393 4.948 40 0 GJABLO Cc1ncc(C[N@@H+]2CCO[C@H](c3cccc(Cc4cccc(Cl)c4)n3)C2)s1 ZINC000257255210 212012239 /nfs/dbraw/zinc/01/22/39/212012239.db2.gz KGOCWIRHPYRWEC-NRFANRHFSA-N 1 2 399.947 4.664 40 0 GJABLO Cc1ncc(C[N@H+]2CCO[C@H](c3cccc(Cc4cccc(Cl)c4)n3)C2)s1 ZINC000257255210 212012247 /nfs/dbraw/zinc/01/22/47/212012247.db2.gz KGOCWIRHPYRWEC-NRFANRHFSA-N 1 2 399.947 4.664 40 0 GJABLO Cc1ccc([NH+]2CCC(C(=O)NCCSc3ccc(Cl)cc3)CC2)cc1 ZINC000219851157 136204336 /nfs/dbraw/zinc/20/43/36/136204336.db2.gz CSLXKXGMLLNMSQ-UHFFFAOYSA-N 1 2 388.964 4.773 40 0 GJABLO FC(F)(F)Oc1ccc2c(c1)CN(c1cc(NC3CCCCC3)[nH+]cn1)CC2 ZINC000328985703 570210691 /nfs/dbraw/zinc/21/06/91/570210691.db2.gz HUIAJIQIWSTYMM-UHFFFAOYSA-N 1 2 392.425 4.683 40 0 GJABLO FC(F)(F)Oc1ccc2c(c1)CN(c1cc(NC3CCCCC3)nc[nH+]1)CC2 ZINC000328985703 570210693 /nfs/dbraw/zinc/21/06/93/570210693.db2.gz HUIAJIQIWSTYMM-UHFFFAOYSA-N 1 2 392.425 4.683 40 0 GJABLO CC[C@H](C)Nc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000328989765 570210812 /nfs/dbraw/zinc/21/08/12/570210812.db2.gz IMMDCLFTUNYUEF-JTQLQIEISA-N 1 2 384.833 4.824 40 0 GJABLO CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022527043 570320522 /nfs/dbraw/zinc/32/05/22/570320522.db2.gz PTYCQVNDHJLTCG-FQEVSTJZSA-N 1 2 388.964 4.555 40 0 GJABLO COc1cccc([C@H]2CCCN2C(=O)COc2cc(C)[nH+]c3ccc(C)cc32)c1 ZINC000035316778 570470313 /nfs/dbraw/zinc/47/03/13/570470313.db2.gz IOMHNDKWPGYCMG-JOCHJYFZSA-N 1 2 390.483 4.603 40 0 GJABLO O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cccc(C[NH+]2CCOCC2)c1 ZINC000044904296 570641135 /nfs/dbraw/zinc/64/11/35/570641135.db2.gz XIBDSGAGHUTIIP-UHFFFAOYSA-N 1 2 399.705 4.731 40 0 GJABLO Cc1ccc2[nH+]c3n(c2c1)CN(Cc1ccccc1)CN3CCc1ccccc1 ZINC000007496211 570759528 /nfs/dbraw/zinc/75/95/28/570759528.db2.gz KUJUFYRLYJJETB-UHFFFAOYSA-N 1 2 382.511 4.825 40 0 GJABLO CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3Cc3cccnc3)cc2n1 ZINC000019452366 210251012 /nfs/dbraw/zinc/25/10/12/210251012.db2.gz RYPDCGZMGCGPHG-QGZVFWFLSA-N 1 2 389.425 4.604 40 0 GJABLO CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCC[N@H+]3Cc3cccnc3)cc2n1 ZINC000019452366 210251017 /nfs/dbraw/zinc/25/10/17/210251017.db2.gz RYPDCGZMGCGPHG-QGZVFWFLSA-N 1 2 389.425 4.604 40 0 GJABLO Cc1[nH]c2ccc(CCC(=O)N(Cc3ccccc3)Cc3ncccc3C)cc2[nH+]1 ZINC000019237766 210235511 /nfs/dbraw/zinc/23/55/11/210235511.db2.gz BZRMXNBGASSKEG-UHFFFAOYSA-N 1 2 398.510 4.736 40 0 GJABLO Cc1[nH]c2cc(CCC(=O)N(Cc3ccccc3)Cc3ncccc3C)ccc2[nH+]1 ZINC000019237766 210235514 /nfs/dbraw/zinc/23/55/14/210235514.db2.gz BZRMXNBGASSKEG-UHFFFAOYSA-N 1 2 398.510 4.736 40 0 GJABLO CCn1cc(C[N@@H+]2CCC[C@H]2c2ncn3cc(-c4cccs4)ccc23)cn1 ZINC000306141915 212055229 /nfs/dbraw/zinc/05/52/29/212055229.db2.gz WJZGBTIRPWPVJG-SFHVURJKSA-N 1 2 377.517 4.616 40 0 GJABLO CCn1cc(C[N@H+]2CCC[C@H]2c2ncn3cc(-c4cccs4)ccc23)cn1 ZINC000306141915 212055234 /nfs/dbraw/zinc/05/52/34/212055234.db2.gz WJZGBTIRPWPVJG-SFHVURJKSA-N 1 2 377.517 4.616 40 0 GJABLO Cc1noc(C)c1-c1nccc([C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2F)n1 ZINC000257335481 212027568 /nfs/dbraw/zinc/02/75/68/212027568.db2.gz YKICREQRSQVLOU-SFHVURJKSA-N 1 2 386.858 4.878 40 0 GJABLO Cc1noc(C)c1-c1nccc([C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2F)n1 ZINC000257335481 212027572 /nfs/dbraw/zinc/02/75/72/212027572.db2.gz YKICREQRSQVLOU-SFHVURJKSA-N 1 2 386.858 4.878 40 0 GJABLO Cc1c(Nc2cc(-c3ccccc3)[nH+]c(NC(C)C)n2)cccc1C(F)(F)F ZINC000329024812 209156853 /nfs/dbraw/zinc/15/68/53/209156853.db2.gz PBPUXNQDWFFMJU-UHFFFAOYSA-N 1 2 386.421 4.879 40 0 GJABLO CC[C@H](C)Nc1nc(Nc2ccccc2Br)cc(-c2ccccc2)[nH+]1 ZINC000328982848 209156489 /nfs/dbraw/zinc/15/64/89/209156489.db2.gz HDCBVEYVFPGVTH-AWEZNQCLSA-N 1 2 397.320 4.704 40 0 GJABLO Brc1ccc2c(c1)CCN(c1cc(NC3CCCCC3)[nH+]cn1)C2 ZINC000328991980 209156497 /nfs/dbraw/zinc/15/64/97/209156497.db2.gz IUKZIBZZKOFYHA-UHFFFAOYSA-N 1 2 387.325 4.546 40 0 GJABLO Brc1ccc2c(c1)CCN(c1cc(NC3CCCCC3)nc[nH+]1)C2 ZINC000328991980 209156499 /nfs/dbraw/zinc/15/64/99/209156499.db2.gz IUKZIBZZKOFYHA-UHFFFAOYSA-N 1 2 387.325 4.546 40 0 GJABLO CCc1cccc(C)c1Nc1cc(-c2ccccc2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000329007656 209156279 /nfs/dbraw/zinc/15/62/79/209156279.db2.gz LMGLGPZYTQUPHU-NRFANRHFSA-N 1 2 390.531 4.609 40 0 GJABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2)cc(C2CC2)[nH+]1 ZINC000328974939 209154342 /nfs/dbraw/zinc/15/43/42/209154342.db2.gz FIFCNFMBMIMZOK-MRXNPFEDSA-N 1 2 380.414 4.545 40 0 GJABLO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038850606 205041335 /nfs/dbraw/zinc/04/13/35/205041335.db2.gz MFAPMKPYUXYBHV-UHFFFAOYSA-N 1 2 379.769 4.856 40 0 GJABLO COc1ccc(CN2CCC[C@@H]2c2[nH+]cn3cc(-c4cccnc4)ccc23)cc1 ZINC000306133063 206200979 /nfs/dbraw/zinc/20/09/79/206200979.db2.gz MARXUVAKKSIHFW-JOCHJYFZSA-N 1 2 384.483 4.742 40 0 GJABLO Cc1ccc([NH+]2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)cc1 ZINC000219853269 136204433 /nfs/dbraw/zinc/20/44/33/136204433.db2.gz JPMMKIZTOFFNRV-UHFFFAOYSA-N 1 2 376.544 4.693 40 0 GJABLO Cc1cc2[nH]c(CCN(C(=O)NCc3ccccc3)C3CCCC3)[nH+]c2cc1C ZINC000001360874 570261272 /nfs/dbraw/zinc/26/12/72/570261272.db2.gz SFOSARIBPOBGFK-UHFFFAOYSA-N 1 2 390.531 4.877 40 0 GJABLO COc1ccc(CNc2ncc(-c3[nH]cc[nH+]3)c(-c3ccc(Cl)cc3)n2)cc1 ZINC000057761926 570372519 /nfs/dbraw/zinc/37/25/19/570372519.db2.gz OTQJTJDNPHRCSO-UHFFFAOYSA-N 1 2 391.862 4.808 40 0 GJABLO COc1cccc(C[N@H+](Cc2ccccn2)Cc2ccnc3ccccc23)c1OC ZINC000019567544 571008705 /nfs/dbraw/zinc/00/87/05/571008705.db2.gz HHGHYDPTAAOILP-UHFFFAOYSA-N 1 2 399.494 4.849 40 0 GJABLO COc1cccc(C[N@@H+](Cc2ccccn2)Cc2ccnc3ccccc23)c1OC ZINC000019567544 571008708 /nfs/dbraw/zinc/00/87/08/571008708.db2.gz HHGHYDPTAAOILP-UHFFFAOYSA-N 1 2 399.494 4.849 40 0 GJABLO Cc1cccc(NC(=O)[C@H]2c3c([nH+]cn3C(C)C)CCN2Cc2ccccc2)c1 ZINC000096037485 571096789 /nfs/dbraw/zinc/09/67/89/571096789.db2.gz QEEDIBBNUDDKNO-HSZRJFAPSA-N 1 2 388.515 4.511 40 0 GJABLO Cc1nc(C)c(CC(=O)Nc2ccc(CCc3[nH]c4ccccc4[nH+]3)cc2)s1 ZINC000019560538 210263366 /nfs/dbraw/zinc/26/33/66/210263366.db2.gz PZADDWRWIJFAGQ-UHFFFAOYSA-N 1 2 390.512 4.603 40 0 GJABLO Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc2c(c1)[nH+]c(C(C)C)n2C ZINC000019561050 210263417 /nfs/dbraw/zinc/26/34/17/210263417.db2.gz FGZKPSGSPXUMMQ-UHFFFAOYSA-N 1 2 391.500 4.776 40 0 GJABLO CCc1[nH+]c2ccccc2n1C[C@@H](C)C(=O)Nc1nnc(C2CCCCC2)s1 ZINC000035322638 204167915 /nfs/dbraw/zinc/16/79/15/204167915.db2.gz NFDLJMJYOGSCSB-CQSZACIVSA-N 1 2 397.548 4.773 40 0 GJABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)C)n2)c(Br)c1 ZINC000328978431 209154657 /nfs/dbraw/zinc/15/46/57/209154657.db2.gz FZNAXDDYFGCYAA-UHFFFAOYSA-N 1 2 397.320 4.622 40 0 GJABLO Cc1nc2sccn2c1C[N@H+](CCCn1ccnc1)Cc1ccccc1Cl ZINC000043277786 205082938 /nfs/dbraw/zinc/08/29/38/205082938.db2.gz NOSPBVPEYXNNSK-UHFFFAOYSA-N 1 2 399.951 4.647 40 0 GJABLO Cc1nc2sccn2c1C[N@@H+](CCCn1ccnc1)Cc1ccccc1Cl ZINC000043277786 205082944 /nfs/dbraw/zinc/08/29/44/205082944.db2.gz NOSPBVPEYXNNSK-UHFFFAOYSA-N 1 2 399.951 4.647 40 0 GJABLO COc1cccc(CN2CCC[C@H]2c2[nH+]cn3cc(-c4cccnc4)ccc23)c1 ZINC000306144815 206206345 /nfs/dbraw/zinc/20/63/45/206206345.db2.gz ZPFZEOMTVOSFMQ-QFIPXVFZSA-N 1 2 384.483 4.742 40 0 GJABLO COc1ccccc1CN1CCC[C@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306143765 206207978 /nfs/dbraw/zinc/20/79/78/206207978.db2.gz YLPVDBCYBDUFHH-NRFANRHFSA-N 1 2 384.483 4.742 40 0 GJABLO Cc1nc([C@H]2CCCC[N@@H+]2Cc2ccccc2)ncc1C(=O)Nc1ccccc1 ZINC000019755839 210293182 /nfs/dbraw/zinc/29/31/82/210293182.db2.gz HGLALIAOWAHXQY-JOCHJYFZSA-N 1 2 386.499 4.765 40 0 GJABLO Cc1nc([C@H]2CCCC[N@H+]2Cc2ccccc2)ncc1C(=O)Nc1ccccc1 ZINC000019755839 210293186 /nfs/dbraw/zinc/29/31/86/210293186.db2.gz HGLALIAOWAHXQY-JOCHJYFZSA-N 1 2 386.499 4.765 40 0 GJABLO Cc1ccc([NH+]2CCC(C(=O)N[C@@H]3CC(C)(C)Oc4cc(C)ccc43)CC2)cc1 ZINC000219864959 136204340 /nfs/dbraw/zinc/20/43/40/136204340.db2.gz FNOFWOZHGYSCMY-JOCHJYFZSA-N 1 2 392.543 4.938 40 0 GJABLO CCNc1nc(Nc2ccc(Br)c(C)c2)cc(-c2ccccc2)[nH+]1 ZINC000328982747 570210885 /nfs/dbraw/zinc/21/08/85/570210885.db2.gz HBNUUBJDVKQVDI-UHFFFAOYSA-N 1 2 383.293 4.812 40 0 GJABLO Cc1ccc(Cl)cc1Nc1cc(-c2ccccc2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000329019856 570213017 /nfs/dbraw/zinc/21/30/17/570213017.db2.gz NYRGHUGMHQKCDI-HXUWFJFHSA-N 1 2 396.922 4.700 40 0 GJABLO Fc1cccc(C(F)(F)F)c1Nc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000329041393 570214500 /nfs/dbraw/zinc/21/45/00/570214500.db2.gz SJGDLWARRLIOKV-UHFFFAOYSA-N 1 2 394.416 4.844 40 0 GJABLO C[C@@H]1CCC[N@@H+]([C@H](c2nnnn2C2CCCC2)c2cccc(C(F)(F)F)c2)C1 ZINC000004968270 570654620 /nfs/dbraw/zinc/65/46/20/570654620.db2.gz RVRVUHIVWNXATC-KDOFPFPSSA-N 1 2 393.457 4.628 40 0 GJABLO C[C@@H]1CCC[N@H+]([C@H](c2nnnn2C2CCCC2)c2cccc(C(F)(F)F)c2)C1 ZINC000004968270 570654622 /nfs/dbraw/zinc/65/46/22/570654622.db2.gz RVRVUHIVWNXATC-KDOFPFPSSA-N 1 2 393.457 4.628 40 0 GJABLO CCc1ccc(C[N@H+](Cc2ccnn2[C@@H]2CCCCO2)Cc2cccnc2)cc1 ZINC000057796911 570703728 /nfs/dbraw/zinc/70/37/28/570703728.db2.gz QRZRMGRUOYEVJX-DEOSSOPVSA-N 1 2 390.531 4.742 40 0 GJABLO CCc1ccc(C[N@@H+](Cc2ccnn2[C@@H]2CCCCO2)Cc2cccnc2)cc1 ZINC000057796911 570703731 /nfs/dbraw/zinc/70/37/31/570703731.db2.gz QRZRMGRUOYEVJX-DEOSSOPVSA-N 1 2 390.531 4.742 40 0 GJABLO Cc1cccc(NC(=O)c2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)c1 ZINC000019879734 570931100 /nfs/dbraw/zinc/93/11/00/570931100.db2.gz KOZWREIVSBAOII-UHFFFAOYSA-N 1 2 399.538 4.565 40 0 GJABLO COc1cccc(C[N@H+]2CCCC[C@H]2c2nnc(-c3cccs3)o2)c1OC ZINC000019567892 571008466 /nfs/dbraw/zinc/00/84/66/571008466.db2.gz CTEMKHOKRYLJTF-HNNXBMFYSA-N 1 2 385.489 4.543 40 0 GJABLO COc1cccc(C[N@@H+]2CCCC[C@H]2c2nnc(-c3cccs3)o2)c1OC ZINC000019567892 571008462 /nfs/dbraw/zinc/00/84/62/571008462.db2.gz CTEMKHOKRYLJTF-HNNXBMFYSA-N 1 2 385.489 4.543 40 0 GJABLO Cc1nn(C[C@H](C)c2cc(NCCc3cccc(F)c3)nc(C)[nH+]2)c(C)c1C ZINC000019717915 571040665 /nfs/dbraw/zinc/04/06/65/571040665.db2.gz XQLDPXQSXSZGKU-AWEZNQCLSA-N 1 2 381.499 4.504 40 0 GJABLO CC(C)c1[nH+]c2cc(NC(=O)c3ccc(Oc4ncccn4)cc3)ccc2n1C ZINC000019453815 210251135 /nfs/dbraw/zinc/25/11/35/210251135.db2.gz OWIQZVUZKKKKGS-UHFFFAOYSA-N 1 2 387.443 4.531 40 0 GJABLO Cc1csc2c([C@@H]3CCN(C(=O)c4[nH]c5ccc(F)cc5c4C)C3)[nH+]c(C)n12 ZINC000019240498 210235225 /nfs/dbraw/zinc/23/52/25/210235225.db2.gz QAGHMPMYMNUUGU-CQSZACIVSA-N 1 2 396.491 4.571 40 0 GJABLO Cc1ccc2[nH]c(CCc3ccc(NC(=O)CC[C@H]4CCCO4)cc3)[nH+]c2c1 ZINC000019221552 210231547 /nfs/dbraw/zinc/23/15/47/210231547.db2.gz JOEYDZYBIDKDDL-LJQANCHMSA-N 1 2 377.488 4.554 40 0 GJABLO Cc1ccc2[nH+]c(CCc3ccc(NC(=O)CC[C@H]4CCCO4)cc3)[nH]c2c1 ZINC000019221552 210231553 /nfs/dbraw/zinc/23/15/53/210231553.db2.gz JOEYDZYBIDKDDL-LJQANCHMSA-N 1 2 377.488 4.554 40 0 GJABLO CN(C)c1cc([C@H]2CCCN(C(=O)c3ccccc3-c3ccccc3)C2)cc[nH+]1 ZINC000257344611 212027876 /nfs/dbraw/zinc/02/78/76/212027876.db2.gz ZXZKORMMPSFTAE-NRFANRHFSA-N 1 2 385.511 4.834 40 0 GJABLO CCc1[nH+]c2ccccc2n1C[C@H](C)C(=O)Nc1nnc(C2CCCCC2)s1 ZINC000035322641 204168290 /nfs/dbraw/zinc/16/82/90/204168290.db2.gz NFDLJMJYOGSCSB-AWEZNQCLSA-N 1 2 397.548 4.773 40 0 GJABLO CC[C@@H](C)Nc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000329058246 209160040 /nfs/dbraw/zinc/16/00/40/209160040.db2.gz WBDFZFISZNLKOE-SNVBAGLBSA-N 1 2 384.833 4.824 40 0 GJABLO FC(F)(F)Oc1ccc2c(c1)CCN(c1cc(NC3CCCCC3)[nH+]cn1)C2 ZINC000329003415 209156512 /nfs/dbraw/zinc/15/65/12/209156512.db2.gz KMUUBHNLXKLHIW-UHFFFAOYSA-N 1 2 392.425 4.683 40 0 GJABLO FC(F)(F)Oc1ccc2c(c1)CCN(c1cc(NC3CCCCC3)nc[nH+]1)C2 ZINC000329003415 209156517 /nfs/dbraw/zinc/15/65/17/209156517.db2.gz KMUUBHNLXKLHIW-UHFFFAOYSA-N 1 2 392.425 4.683 40 0 GJABLO CC(C)(C)Nc1nc(Nc2ccc(Br)c(F)c2)cc(C2CC2)[nH+]1 ZINC000328997850 209155280 /nfs/dbraw/zinc/15/52/80/209155280.db2.gz JPQLSWCECGCOPC-UHFFFAOYSA-N 1 2 379.277 4.632 40 0 GJABLO COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)c(OC)c1 ZINC000240631566 205689495 /nfs/dbraw/zinc/68/94/95/205689495.db2.gz AEEYTPDOFFTUBC-UHFFFAOYSA-N 1 2 390.487 5.259 40 0 GJABLO Cc1cc(N)c(NC(=O)c2ccccc2Br)cc1[NH+]1CCCCC1 ZINC000226330107 136192523 /nfs/dbraw/zinc/19/25/23/136192523.db2.gz YDFNIJIUTUJHRU-UHFFFAOYSA-N 1 2 388.309 4.582 40 0 GJABLO CC1CC[NH+](c2ccc(N)cc2NC(=O)c2cccc(Br)c2)CC1 ZINC000226254983 136192585 /nfs/dbraw/zinc/19/25/85/136192585.db2.gz KGDREPLANZUQDY-UHFFFAOYSA-N 1 2 388.309 4.520 40 0 GJABLO Cc1ccc([NH+]2CCC(C(=O)N[C@H]3CC(C)(C)Oc4ccc(C)cc43)CC2)cc1 ZINC000219864894 136204443 /nfs/dbraw/zinc/20/44/43/136204443.db2.gz TXJFEDJFDMWZQL-QFIPXVFZSA-N 1 2 392.543 4.938 40 0 GJABLO CC[C@@H](C)Nc1nc(Nc2ccccc2Br)cc(-c2ccccc2)[nH+]1 ZINC000328982850 570210895 /nfs/dbraw/zinc/21/08/95/570210895.db2.gz HDCBVEYVFPGVTH-CQSZACIVSA-N 1 2 397.320 4.704 40 0 GJABLO Clc1ccc(Cl)c(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000329029285 570213787 /nfs/dbraw/zinc/21/37/87/570213787.db2.gz PZBMYRXGZYCSIB-UHFFFAOYSA-N 1 2 377.319 4.993 40 0 GJABLO C[C@@H](O)c1ccc2c(c1)CCN(c1cc(Nc3ccccc3)[nH+]c(C3CC3)n1)C2 ZINC000329058275 570215607 /nfs/dbraw/zinc/21/56/07/570215607.db2.gz WBMUDYZSPAAZAR-MRXNPFEDSA-N 1 2 386.499 4.714 40 0 GJABLO C[C@@H](O)c1ccc2c(c1)CCN(c1cc(Nc3ccccc3)nc(C3CC3)[nH+]1)C2 ZINC000329058275 570215608 /nfs/dbraw/zinc/21/56/08/570215608.db2.gz WBMUDYZSPAAZAR-MRXNPFEDSA-N 1 2 386.499 4.714 40 0 GJABLO CNc1nc(Nc2ccc(F)c(C)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329069715 570216799 /nfs/dbraw/zinc/21/67/99/570216799.db2.gz ZAAYFEZTERWOCW-UHFFFAOYSA-N 1 2 392.356 4.697 40 0 GJABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1C(C)(C)CC)c1ccc(C)cc1 ZINC000057613806 570365569 /nfs/dbraw/zinc/36/55/69/570365569.db2.gz PUUZKSNYSNKYBU-OAQYLSRUSA-N 1 2 377.536 4.738 40 0 GJABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1C(C)(C)CC)c1ccc(C)cc1 ZINC000057613806 570365572 /nfs/dbraw/zinc/36/55/72/570365572.db2.gz PUUZKSNYSNKYBU-OAQYLSRUSA-N 1 2 377.536 4.738 40 0 GJABLO Cc1ccccc1NC(=O)[C@@H]1c2c([nH+]cn2C(C)C)CCN1Cc1ccccc1 ZINC000096037494 571096895 /nfs/dbraw/zinc/09/68/95/571096895.db2.gz PKCGJLBYWLIODQ-QHCPKHFHSA-N 1 2 388.515 4.511 40 0 GJABLO CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3Cc3ccncc3)cc2n1 ZINC000019452370 210250758 /nfs/dbraw/zinc/25/07/58/210250758.db2.gz LLPFYQPXMXWONH-QGZVFWFLSA-N 1 2 389.425 4.604 40 0 GJABLO CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCC[N@H+]3Cc3ccncc3)cc2n1 ZINC000019452370 210250760 /nfs/dbraw/zinc/25/07/60/210250760.db2.gz LLPFYQPXMXWONH-QGZVFWFLSA-N 1 2 389.425 4.604 40 0 GJABLO Cc1cc2[nH+]c(-c3cc(Br)cc(Br)c3N)[nH]c2c(C)c1 ZINC000070462802 212057618 /nfs/dbraw/zinc/05/76/18/212057618.db2.gz ULLPQKXHVHPGHX-UHFFFAOYSA-N 1 2 395.098 4.954 40 0 GJABLO COc1ccccc1N(CC(=O)c1ccc(OC(F)F)cc1)C1=[NH+]CCCC1 ZINC000007276443 204237175 /nfs/dbraw/zinc/23/71/75/204237175.db2.gz CVLRKEAGUYTDOU-UHFFFAOYSA-N 1 2 388.414 4.568 40 0 GJABLO CC(C)Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329002292 209156226 /nfs/dbraw/zinc/15/62/26/209156226.db2.gz KHJDARWASJUWTN-UHFFFAOYSA-N 1 2 389.286 4.564 40 0 GJABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)ccc1Br ZINC000328962416 209154425 /nfs/dbraw/zinc/15/44/25/209154425.db2.gz BHQYDKZEMOSMFN-UHFFFAOYSA-N 1 2 387.325 4.945 40 0 GJABLO CCNc1nc(Nc2ccc(F)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328961942 209154009 /nfs/dbraw/zinc/15/40/09/209154009.db2.gz BFTDQWBWUJKBKO-UHFFFAOYSA-N 1 2 392.356 4.779 40 0 GJABLO Cc1nn(C[C@@H](C)c2cc(NCCCc3ccc(F)cc3)nc(C)[nH+]2)c(C)c1C ZINC000072373203 205338384 /nfs/dbraw/zinc/33/83/84/205338384.db2.gz OTKXVVFHMPLMFJ-OAHLLOKOSA-N 1 2 395.526 4.894 40 0 GJABLO CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)CCc2ccccc2)n1 ZINC000072378957 205338990 /nfs/dbraw/zinc/33/89/90/205338990.db2.gz ZQUBOIAQDCUHEV-NRFANRHFSA-N 1 2 388.515 4.687 40 0 GJABLO Cc1cc(N2CCc3cc(Br)ccc3C2)nc(Nc2ccccc2)[nH+]1 ZINC000329063304 533912527 /nfs/dbraw/zinc/91/25/27/533912527.db2.gz XCCDSCSMAUHVQW-UHFFFAOYSA-N 1 2 395.304 4.854 40 0 GJABLO C=C1[NH+]=C(SCCC)N[C@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408994719 528822898 /nfs/dbraw/zinc/82/28/98/528822898.db2.gz ZUQQHXOQWHRZBK-OAHLLOKOSA-N 1 2 387.332 4.974 40 0 GJABLO C=C1[NH+]=C(SCCC)N[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408994718 528823219 /nfs/dbraw/zinc/82/32/19/528823219.db2.gz ZUQQHXOQWHRZBK-HNNXBMFYSA-N 1 2 387.332 4.974 40 0 GJABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2)cc(C2CC2)[nH+]1 ZINC000328974937 570210135 /nfs/dbraw/zinc/21/01/35/570210135.db2.gz FIFCNFMBMIMZOK-INIZCTEOSA-N 1 2 380.414 4.545 40 0 GJABLO Cc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(Nc2cccc(Cl)c2)[nH+]1 ZINC000329039146 570214066 /nfs/dbraw/zinc/21/40/66/570214066.db2.gz RWFQGHULLQCIDO-OAHLLOKOSA-N 1 2 394.906 4.798 40 0 GJABLO Cc1c(F)cccc1Nc1cc(-c2ccccc2)[nH+]c(NC2CCCCC2)n1 ZINC000329066888 570216057 /nfs/dbraw/zinc/21/60/57/570216057.db2.gz YDZQJDFLXISCRI-UHFFFAOYSA-N 1 2 376.479 4.923 40 0 GJABLO CC[C@H](C)Nc1nc(Nc2cccc(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329068578 570216403 /nfs/dbraw/zinc/21/64/03/570216403.db2.gz YQPVTWVWXGQUFN-AWEZNQCLSA-N 1 2 386.421 4.960 40 0 GJABLO Cc1cc([C@@H]2CCCCN2C(=O)OCc2ccccc2)c[nH+]c1N1CCCC1 ZINC000072218830 570317765 /nfs/dbraw/zinc/31/77/65/570317765.db2.gz ZPEFMSGNPXTHIM-NRFANRHFSA-N 1 2 379.504 4.854 40 0 GJABLO COc1ccc2ccc3c(c2c1)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1C3 ZINC000031829628 570506588 /nfs/dbraw/zinc/50/65/88/570506588.db2.gz MUSWLDXMCFTNFG-JOCHJYFZSA-N 1 2 375.468 4.521 40 0 GJABLO COc1ccc2ccc3c(c2c1)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1C3 ZINC000031829628 570506592 /nfs/dbraw/zinc/50/65/92/570506592.db2.gz MUSWLDXMCFTNFG-JOCHJYFZSA-N 1 2 375.468 4.521 40 0 GJABLO CCOC1CCN(C(=O)CCn2c3ccccc3[nH+]c2C2CCCCC2)CC1 ZINC000019714857 571036332 /nfs/dbraw/zinc/03/63/32/571036332.db2.gz GGOHAVBRHCJVEA-UHFFFAOYSA-N 1 2 383.536 4.502 40 0 GJABLO CC[NH+](CC)c1ccc(N)cc1NC(=O)c1cc(Cl)c(OC)c(Cl)c1 ZINC000226261847 209186684 /nfs/dbraw/zinc/18/66/84/209186684.db2.gz KQGLBYZNTKHERJ-UHFFFAOYSA-N 1 2 382.291 4.683 40 0 GJABLO Cc1noc(C)c1-c1nccc([C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2F)n1 ZINC000257335480 212027624 /nfs/dbraw/zinc/02/76/24/212027624.db2.gz YKICREQRSQVLOU-GOSISDBHSA-N 1 2 386.858 4.878 40 0 GJABLO Cc1noc(C)c1-c1nccc([C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2F)n1 ZINC000257335480 212027627 /nfs/dbraw/zinc/02/76/27/212027627.db2.gz YKICREQRSQVLOU-GOSISDBHSA-N 1 2 386.858 4.878 40 0 GJABLO C/C(=C\c1ccccc1)C[N@@H+]1CCO[C@H](c2ccc(Nc3ccccn3)cn2)C1 ZINC000257310612 212022122 /nfs/dbraw/zinc/02/21/22/212022122.db2.gz UFWSNTLICXUQGJ-UWUFYVNFSA-N 1 2 386.499 4.697 40 0 GJABLO C/C(=C\c1ccccc1)C[N@H+]1CCO[C@H](c2ccc(Nc3ccccn3)cn2)C1 ZINC000257310612 212022126 /nfs/dbraw/zinc/02/21/26/212022126.db2.gz UFWSNTLICXUQGJ-UWUFYVNFSA-N 1 2 386.499 4.697 40 0 GJABLO CC[C@@H](C)Nc1nc(Nc2ccc(Br)c(C)c2)cc(C2CC2)[nH+]1 ZINC000328958912 209153716 /nfs/dbraw/zinc/15/37/16/209153716.db2.gz AQNNHBXOGUIQCY-GFCCVEGCSA-N 1 2 375.314 4.801 40 0 GJABLO FC(F)(F)Oc1ccccc1Nc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000328979622 209154076 /nfs/dbraw/zinc/15/40/76/209154076.db2.gz GHXDVZYHRJMWSM-UHFFFAOYSA-N 1 2 392.425 4.585 40 0 GJABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)/C(=C/c1ccccc1)c1ccccc1 ZINC000044901131 205089842 /nfs/dbraw/zinc/08/98/42/205089842.db2.gz GJCJLACGKJPBPK-JJIBRWJFSA-N 1 2 379.463 4.729 40 0 GJABLO Cc1ccc([C@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c2ccccc2)cc1 ZINC000044938123 205090371 /nfs/dbraw/zinc/09/03/71/205090371.db2.gz WOMKFGRAVRXRPP-XMMPIXPASA-N 1 2 381.479 4.759 40 0 GJABLO CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 ZINC000072378857 205339774 /nfs/dbraw/zinc/33/97/74/205339774.db2.gz SQFLDTIYBPHCIN-GOSISDBHSA-N 1 2 392.478 4.550 40 0 GJABLO CCOc1ccc(NC(=O)N2CCC[C@@H](c3[nH]c4cc(C)c(C)cc4[nH+]3)C2)cc1 ZINC000001350237 205710930 /nfs/dbraw/zinc/71/09/30/205710930.db2.gz OXCTZDXCUFBUAB-QGZVFWFLSA-N 1 2 392.503 4.990 40 0 GJABLO COc1cccc(CN2CCC[C@@H]2c2[nH+]cn3cc(-c4cccnc4)ccc23)c1 ZINC000306144814 206207519 /nfs/dbraw/zinc/20/75/19/206207519.db2.gz ZPFZEOMTVOSFMQ-JOCHJYFZSA-N 1 2 384.483 4.742 40 0 GJABLO COc1ccc(CN2CCC[C@H]2c2[nH+]cn3cc(-c4cccnc4)ccc23)cc1 ZINC000306133064 206201801 /nfs/dbraw/zinc/20/18/01/206201801.db2.gz MARXUVAKKSIHFW-QFIPXVFZSA-N 1 2 384.483 4.742 40 0 GJABLO COC(=O)c1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)(C)C)n2)cc1 ZINC000243526459 522135306 /nfs/dbraw/zinc/13/53/06/522135306.db2.gz OAUVZUBEECIPSM-UHFFFAOYSA-N 1 2 376.460 4.884 40 0 GJABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1C1CCCC1)c1ccc(C)cc1 ZINC000057613809 570365542 /nfs/dbraw/zinc/36/55/42/570365542.db2.gz BIQVNYZTLWYFMB-QFIPXVFZSA-N 1 2 375.520 4.708 40 0 GJABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1C1CCCC1)c1ccc(C)cc1 ZINC000057613809 570365545 /nfs/dbraw/zinc/36/55/45/570365545.db2.gz BIQVNYZTLWYFMB-QFIPXVFZSA-N 1 2 375.520 4.708 40 0 GJABLO CC[C@@H](C)Nc1nc(Nc2ccc(C(=O)OC)cc2)cc(-c2ccccc2)[nH+]1 ZINC000243843978 570457911 /nfs/dbraw/zinc/45/79/11/570457911.db2.gz RCKPHHCJGLPOSR-OAHLLOKOSA-N 1 2 376.460 4.884 40 0 GJABLO COc1ccc(NC(=S)N2CCC(n3c(C)[nH+]c4cc(F)ccc43)CC2)cc1 ZINC000035314258 570468703 /nfs/dbraw/zinc/46/87/03/570468703.db2.gz FVLRBGPFBYKGMJ-UHFFFAOYSA-N 1 2 398.507 4.526 40 0 GJABLO Cc1ccc(NC(=O)C[NH+]2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)c(C)c1 ZINC000005625951 570665429 /nfs/dbraw/zinc/66/54/29/570665429.db2.gz PEOPKCAROQXTHB-UHFFFAOYSA-N 1 2 396.922 4.651 40 0 GJABLO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2nnc(-c3cccs3)o2)c1OC ZINC000019567889 210265826 /nfs/dbraw/zinc/26/58/26/210265826.db2.gz CTEMKHOKRYLJTF-OAHLLOKOSA-N 1 2 385.489 4.543 40 0 GJABLO COc1cccc(C[N@H+]2CCCC[C@@H]2c2nnc(-c3cccs3)o2)c1OC ZINC000019567889 210265829 /nfs/dbraw/zinc/26/58/29/210265829.db2.gz CTEMKHOKRYLJTF-OAHLLOKOSA-N 1 2 385.489 4.543 40 0 GJABLO COc1ccc2nc(C[N@H+](Cc3cccnc3)Cc3ccccc3F)ccc2c1 ZINC000019563649 210263140 /nfs/dbraw/zinc/26/31/40/210263140.db2.gz DUGGHUZKUBRHLM-UHFFFAOYSA-N 1 2 387.458 4.980 40 0 GJABLO COc1ccc2nc(C[N@@H+](Cc3cccnc3)Cc3ccccc3F)ccc2c1 ZINC000019563649 210263145 /nfs/dbraw/zinc/26/31/45/210263145.db2.gz DUGGHUZKUBRHLM-UHFFFAOYSA-N 1 2 387.458 4.980 40 0 GJABLO O=C(CN(c1ccc(Cl)cc1)C1=[NH+]CCCCC1)c1ccc2c(c1)OCO2 ZINC000008418851 212074328 /nfs/dbraw/zinc/07/43/28/212074328.db2.gz PQVVTWZRKPVVQT-UHFFFAOYSA-N 1 2 384.863 4.731 40 0 GJABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)cc1C(F)(F)F ZINC000329055600 209158913 /nfs/dbraw/zinc/15/89/13/209158913.db2.gz VPLYTJIXEHLUCA-UHFFFAOYSA-N 1 2 376.426 4.623 40 0 GJABLO CSc1ccccc1Nc1cc(-c2ccccc2)[nH+]c(NC2CCCC2)n1 ZINC000329023506 209157635 /nfs/dbraw/zinc/15/76/35/209157635.db2.gz OUJFYHOYPCDLSY-UHFFFAOYSA-N 1 2 376.529 4.807 40 0 GJABLO Cc1c2ccccc2oc1-c1nnc2sc(C[N@@H+](C)Cc3ccccc3)nn21 ZINC000096194444 206223354 /nfs/dbraw/zinc/22/33/54/206223354.db2.gz KYAYOBGUYLNGFD-UHFFFAOYSA-N 1 2 389.484 4.539 40 0 GJABLO Cc1c2ccccc2oc1-c1nnc2sc(C[N@H+](C)Cc3ccccc3)nn21 ZINC000096194444 206223359 /nfs/dbraw/zinc/22/33/59/206223359.db2.gz KYAYOBGUYLNGFD-UHFFFAOYSA-N 1 2 389.484 4.539 40 0 GJABLO CCOc1cc(Cn2c[nH+]cc2-c2cnn(C3CCCCC3)c2)ccc1OC ZINC000019654557 210277950 /nfs/dbraw/zinc/27/79/50/210277950.db2.gz PTGSSKHLNAFUDF-UHFFFAOYSA-N 1 2 380.492 4.707 40 0 GJABLO CC(C)c1ccc(OCC(=O)Nc2cc(N)ccc2[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000226253163 136192579 /nfs/dbraw/zinc/19/25/79/136192579.db2.gz KJEKDPWSLLFHJH-KRWDZBQOSA-N 1 2 381.520 4.789 40 0 GJABLO CC(C)c1ccc(OCC(=O)Nc2cc(N)ccc2[N@H+]2CCCC[C@@H]2C)cc1 ZINC000226253163 136192580 /nfs/dbraw/zinc/19/25/80/136192580.db2.gz KJEKDPWSLLFHJH-KRWDZBQOSA-N 1 2 381.520 4.789 40 0 GJABLO C[C@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1ccccc1Br ZINC000226254733 136192628 /nfs/dbraw/zinc/19/26/28/136192628.db2.gz DOHOYZPBAWFESD-ZDUSSCGKSA-N 1 2 388.309 4.662 40 0 GJABLO C[C@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1ccccc1Br ZINC000226254733 136192629 /nfs/dbraw/zinc/19/26/29/136192629.db2.gz DOHOYZPBAWFESD-ZDUSSCGKSA-N 1 2 388.309 4.662 40 0 GJABLO CCNc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328987662 570210793 /nfs/dbraw/zinc/21/07/93/570210793.db2.gz IDAVAXHIYYIRAE-UHFFFAOYSA-N 1 2 392.812 4.835 40 0 GJABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)cc1C(F)(F)F ZINC000329001321 570211379 /nfs/dbraw/zinc/21/13/79/570211379.db2.gz KDEDCLWRCLQVDY-UHFFFAOYSA-N 1 2 384.405 4.633 40 0 GJABLO Oc1c(Cl)cc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)cc1Cl ZINC000329022117 570213354 /nfs/dbraw/zinc/21/33/54/570213354.db2.gz OKNSOQJKVUXKLT-UHFFFAOYSA-N 1 2 393.318 4.698 40 0 GJABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)ccc1Br ZINC000329041270 570214367 /nfs/dbraw/zinc/21/43/67/570214367.db2.gz SHMCWVWREVCAGJ-UHFFFAOYSA-N 1 2 395.304 4.954 40 0 GJABLO Oc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)c(Cl)c1 ZINC000329039643 570214440 /nfs/dbraw/zinc/21/44/40/570214440.db2.gz RXYNJORJGOMLRH-UHFFFAOYSA-N 1 2 394.906 4.835 40 0 GJABLO O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc[nH+]c1N1CCCCC1 ZINC000072216132 570317001 /nfs/dbraw/zinc/31/70/01/570317001.db2.gz RKYYOEQFKSERGX-OAQYLSRUSA-N 1 2 379.504 4.936 40 0 GJABLO O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000224960508 570540125 /nfs/dbraw/zinc/54/01/25/570540125.db2.gz WEELTLQUIQWTKQ-UHFFFAOYSA-N 1 2 399.343 4.926 40 0 GJABLO COc1ccc(NC(=S)N2CCC[C@H](c3[nH]c4cc(C)c(C)cc4[nH+]3)C2)cc1 ZINC000004858926 570639264 /nfs/dbraw/zinc/63/92/64/570639264.db2.gz NUIWIIHHTIKSFF-INIZCTEOSA-N 1 2 394.544 4.765 40 0 GJABLO Cc1ccc(C[N@H+](Cc2cncn2Cc2ccccc2)Cc2ccncc2)cc1 ZINC000013989408 210096824 /nfs/dbraw/zinc/09/68/24/210096824.db2.gz CGHOJGGIVSEAPO-UHFFFAOYSA-N 1 2 382.511 4.837 40 0 GJABLO Cc1ccc(C[N@@H+](Cc2cncn2Cc2ccccc2)Cc2ccncc2)cc1 ZINC000013989408 210096826 /nfs/dbraw/zinc/09/68/26/210096826.db2.gz CGHOJGGIVSEAPO-UHFFFAOYSA-N 1 2 382.511 4.837 40 0 GJABLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000001371015 209324044 /nfs/dbraw/zinc/32/40/44/209324044.db2.gz LGIRLTWOFUBRJU-UHFFFAOYSA-N 1 2 398.304 4.585 40 0 GJABLO C/C(=C\c1ccccc1)C[N@@H+]1CCO[C@@H](c2ccc(Nc3ccccn3)cn2)C1 ZINC000257310611 212022162 /nfs/dbraw/zinc/02/21/62/212022162.db2.gz UFWSNTLICXUQGJ-QYAIIROKSA-N 1 2 386.499 4.697 40 0 GJABLO C/C(=C\c1ccccc1)C[N@H+]1CCO[C@@H](c2ccc(Nc3ccccn3)cn2)C1 ZINC000257310611 212022166 /nfs/dbraw/zinc/02/21/66/212022166.db2.gz UFWSNTLICXUQGJ-QYAIIROKSA-N 1 2 386.499 4.697 40 0 GJABLO Cc1cccc(C)c1NC(=O)C[NH+]1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000035291768 204155966 /nfs/dbraw/zinc/15/59/66/204155966.db2.gz VYYURNCFQKFGCN-UHFFFAOYSA-N 1 2 396.922 4.651 40 0 GJABLO CSc1cccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)c1 ZINC000329029656 209157806 /nfs/dbraw/zinc/15/78/06/209157806.db2.gz PZYNIBMZWCCJFB-UHFFFAOYSA-N 1 2 376.529 4.807 40 0 GJABLO Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2ccccc2)[nH+]c(NC2CC2)n1 ZINC000329015423 209157900 /nfs/dbraw/zinc/15/79/00/209157900.db2.gz NAZSFVKUNPSMSL-UHFFFAOYSA-N 1 2 384.405 4.633 40 0 GJABLO CC[C@@H](C)Nc1nc(Nc2c(C)cc(Br)cc2C)cc(C2CC2)[nH+]1 ZINC000329002143 209156387 /nfs/dbraw/zinc/15/63/87/209156387.db2.gz KFSXGJZBIREQQJ-CYBMUJFWSA-N 1 2 389.341 4.531 40 0 GJABLO Fc1ccc(CNc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)cc1F ZINC000328981281 209153640 /nfs/dbraw/zinc/15/36/40/209153640.db2.gz GTYZEEMZWFJLDY-UHFFFAOYSA-N 1 2 394.469 4.622 40 0 GJABLO COc1ccc(-c2nc(Nc3cc(Cl)cc(Cl)c3)cc(N)[nH+]2)cc1OC ZINC000049468175 205128762 /nfs/dbraw/zinc/12/87/62/205128762.db2.gz MBMAIBYQGWLJBJ-UHFFFAOYSA-N 1 2 391.258 4.793 40 0 GJABLO CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)c2ccc(F)cc2)n1 ZINC000072378852 205338919 /nfs/dbraw/zinc/33/89/19/205338919.db2.gz ZUTFHCLJUWSKNO-LJQANCHMSA-N 1 2 378.451 4.507 40 0 GJABLO C[C@H]1CCC[N@@H+]([C@@H](c2nnnn2C2CCCC2)c2cccc(C(F)(F)F)c2)C1 ZINC000227146545 206100704 /nfs/dbraw/zinc/10/07/04/206100704.db2.gz RVRVUHIVWNXATC-KBXCAEBGSA-N 1 2 393.457 4.628 40 0 GJABLO C[C@H]1CCC[N@H+]([C@@H](c2nnnn2C2CCCC2)c2cccc(C(F)(F)F)c2)C1 ZINC000227146545 206100710 /nfs/dbraw/zinc/10/07/10/206100710.db2.gz RVRVUHIVWNXATC-KBXCAEBGSA-N 1 2 393.457 4.628 40 0 GJABLO CC[N@H+](Cc1ccccc1)[C@@H](c1cccs1)c1nnnn1C1CCCCC1 ZINC000057613823 570365618 /nfs/dbraw/zinc/36/56/18/570365618.db2.gz QLPCICJMQRAXDA-FQEVSTJZSA-N 1 2 381.549 4.851 40 0 GJABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1cccs1)c1nnnn1C1CCCCC1 ZINC000057613823 570365620 /nfs/dbraw/zinc/36/56/20/570365620.db2.gz QLPCICJMQRAXDA-FQEVSTJZSA-N 1 2 381.549 4.851 40 0 GJABLO COc1cc2[nH+]c(Cc3ccc(Br)cc3)[nH]c2c(Br)c1 ZINC000226342619 570460960 /nfs/dbraw/zinc/46/09/60/570460960.db2.gz NFRBVCGFURKGJZ-UHFFFAOYSA-N 1 2 396.082 4.687 40 0 GJABLO COc1ccc2c(c1)C=C(C[N@H+](Cc1cccnc1)Cc1ccccc1F)CO2 ZINC000013569020 570850598 /nfs/dbraw/zinc/85/05/98/570850598.db2.gz FUBPJWVYYRCAJZ-UHFFFAOYSA-N 1 2 390.458 4.708 40 0 GJABLO COc1ccc2c(c1)C=C(C[N@@H+](Cc1cccnc1)Cc1ccccc1F)CO2 ZINC000013569020 570850602 /nfs/dbraw/zinc/85/06/02/570850602.db2.gz FUBPJWVYYRCAJZ-UHFFFAOYSA-N 1 2 390.458 4.708 40 0 GJABLO CCOc1ccc(OCC)c2nc3c(cc12)C[N@H+](Cc1ccccc1)C[C@H](C)O3 ZINC000013563860 570852400 /nfs/dbraw/zinc/85/24/00/570852400.db2.gz MXPFBBABWGJFSD-KRWDZBQOSA-N 1 2 392.499 4.815 40 0 GJABLO CCOc1ccc(OCC)c2nc3c(cc12)C[N@@H+](Cc1ccccc1)C[C@H](C)O3 ZINC000013563860 570852403 /nfs/dbraw/zinc/85/24/03/570852403.db2.gz MXPFBBABWGJFSD-KRWDZBQOSA-N 1 2 392.499 4.815 40 0 GJABLO CC(C)c1nc2ccc(NC(=O)c3ccccc3Cn3cc[nH+]c3)cc2s1 ZINC000019453861 570986714 /nfs/dbraw/zinc/98/67/14/570986714.db2.gz WKTSTHWYXWVZED-UHFFFAOYSA-N 1 2 376.485 4.917 40 0 GJABLO Cc1nc(Nc2ccccc2)cc(N2CCc3cc(Br)ccc3C2)[nH+]1 ZINC000328961949 571047347 /nfs/dbraw/zinc/04/73/47/571047347.db2.gz BFXJRTPIAUNMKI-UHFFFAOYSA-N 1 2 395.304 4.854 40 0 GJABLO CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3Cc3cccnc3)cc2N1 ZINC000019451300 210247639 /nfs/dbraw/zinc/24/76/39/210247639.db2.gz WBWXIMQERGWJRU-RYQLBKOJSA-N 1 2 393.457 4.559 40 0 GJABLO CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCC[N@H+]3Cc3cccnc3)cc2N1 ZINC000019451300 210247644 /nfs/dbraw/zinc/24/76/44/210247644.db2.gz WBWXIMQERGWJRU-RYQLBKOJSA-N 1 2 393.457 4.559 40 0 GJABLO Cc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)cc2n1 ZINC000019116877 210225056 /nfs/dbraw/zinc/22/50/56/210225056.db2.gz QEQUGOBKUSVOFT-MRXNPFEDSA-N 1 2 378.373 4.533 40 0 GJABLO Cc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@H+]3Cc3ccc(F)cc3)cc2n1 ZINC000019116877 210225059 /nfs/dbraw/zinc/22/50/59/210225059.db2.gz QEQUGOBKUSVOFT-MRXNPFEDSA-N 1 2 378.373 4.533 40 0 GJABLO Clc1ccccc1CNc1cc(-c2ccccc2)[nH+]c(NC2CCCC2)n1 ZINC000329054823 209160333 /nfs/dbraw/zinc/16/03/33/209160333.db2.gz VLTOQOCACNXORG-UHFFFAOYSA-N 1 2 378.907 4.607 40 0 GJABLO FC(F)(F)c1cc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)ccc1Cl ZINC000329008998 209156396 /nfs/dbraw/zinc/15/63/96/209156396.db2.gz LUHPXSAIYTZDDA-UHFFFAOYSA-N 1 2 396.844 4.968 40 0 GJABLO CCNc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000328980770 209153679 /nfs/dbraw/zinc/15/36/79/209153679.db2.gz GOTJMJBYPXMUQY-UHFFFAOYSA-N 1 2 392.812 4.835 40 0 GJABLO Cc1cc(C)c(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](CO)C(C)C)n2)c(C)c1 ZINC000328980385 209153324 /nfs/dbraw/zinc/15/33/24/209153324.db2.gz GMBVYVIMPBFPJR-OAQYLSRUSA-N 1 2 390.531 4.663 40 0 GJABLO CCC1(CC)C[C@@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c2ccccc2O1 ZINC000225275512 206041548 /nfs/dbraw/zinc/04/15/48/206041548.db2.gz UEOHTGDXMITCQT-OAQYLSRUSA-N 1 2 389.499 4.744 40 0 GJABLO CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)CCc2ccccc2)n1 ZINC000072378958 211106314 /nfs/dbraw/zinc/10/63/14/211106314.db2.gz ZQUBOIAQDCUHEV-OAQYLSRUSA-N 1 2 388.515 4.687 40 0 GJABLO Brc1ccc2c(c1)CN(c1cc(NC3CCCCC3)[nH+]cn1)CC2 ZINC000329016854 570212631 /nfs/dbraw/zinc/21/26/31/570212631.db2.gz NIXQOUUIBNMKGX-UHFFFAOYSA-N 1 2 387.325 4.546 40 0 GJABLO Brc1ccc2c(c1)CN(c1cc(NC3CCCCC3)nc[nH+]1)CC2 ZINC000329016854 570212635 /nfs/dbraw/zinc/21/26/35/570212635.db2.gz NIXQOUUIBNMKGX-UHFFFAOYSA-N 1 2 387.325 4.546 40 0 GJABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](CO)C(C)C)n2)cc1Cl ZINC000329068575 570216424 /nfs/dbraw/zinc/21/64/24/570216424.db2.gz YQOHGWSXGBJGCB-HXUWFJFHSA-N 1 2 396.922 4.700 40 0 GJABLO CC[C@@H](C)Nc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072213573 570314042 /nfs/dbraw/zinc/31/40/42/570314042.db2.gz NQDYRELIMKYKSL-XLIONFOSSA-N 1 2 387.549 4.516 40 0 GJABLO Cc1cc([C@@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]c1N1CCCCC1 ZINC000072219155 570318307 /nfs/dbraw/zinc/31/83/07/570318307.db2.gz VRVUQVMYGZYTPL-NRFANRHFSA-N 1 2 379.504 4.854 40 0 GJABLO O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038850696 570587659 /nfs/dbraw/zinc/58/76/59/570587659.db2.gz OBWGGISIBSNBQJ-UHFFFAOYSA-N 1 2 383.451 4.763 40 0 GJABLO CN(C)c1nc2ccccc2cc1C[NH2+][C@H](Cc1ccsc1)c1nccs1 ZINC000012325681 570643355 /nfs/dbraw/zinc/64/33/55/570643355.db2.gz VPWPYXCMKKQNRV-LJQANCHMSA-N 1 2 394.569 4.892 40 0 GJABLO COc1ccccc1NC(=S)N1CCC(c2[nH]c3cc(C)c(C)cc3[nH+]2)CC1 ZINC000013471838 570848132 /nfs/dbraw/zinc/84/81/32/570848132.db2.gz SMKDHJYZMJRZNE-UHFFFAOYSA-N 1 2 394.544 4.765 40 0 GJABLO COc1cc2c(cc1OC)[C@@H](c1ccc(F)c(F)c1)[NH2+][C@@H](c1ccc(C)cn1)C2 ZINC000019216072 210231361 /nfs/dbraw/zinc/23/13/61/210231361.db2.gz WPKJDGXTJZMZIQ-NFBKMPQASA-N 1 2 396.437 4.662 40 0 GJABLO Clc1cccc(CNc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000329045544 209158157 /nfs/dbraw/zinc/15/81/57/209158157.db2.gz TWLSORPQYHOMHJ-UHFFFAOYSA-N 1 2 392.934 4.998 40 0 GJABLO Cc1cc(F)ccc1Nc1cc(-c2ccccc2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000328959808 209154160 /nfs/dbraw/zinc/15/41/60/209154160.db2.gz AUXCBVZCVFAPPL-FQEVSTJZSA-N 1 2 380.467 4.764 40 0 GJABLO C[C@@H]1CCC[N@@H+]([C@@H](c2nnnn2C2CCCC2)c2cccc(C(F)(F)F)c2)C1 ZINC000227146542 206099971 /nfs/dbraw/zinc/09/99/71/206099971.db2.gz RVRVUHIVWNXATC-RDTXWAMCSA-N 1 2 393.457 4.628 40 0 GJABLO C[C@@H]1CCC[N@H+]([C@@H](c2nnnn2C2CCCC2)c2cccc(C(F)(F)F)c2)C1 ZINC000227146542 206099975 /nfs/dbraw/zinc/09/99/75/206099975.db2.gz RVRVUHIVWNXATC-RDTXWAMCSA-N 1 2 393.457 4.628 40 0 GJABLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 ZINC000072365991 211102139 /nfs/dbraw/zinc/10/21/39/211102139.db2.gz JNZMQVDZYSYQLJ-UHFFFAOYSA-N 1 2 390.462 4.696 40 0 GJABLO Cc1[nH+]c2ccccc2n1CCCC(=O)Nc1cc(-c2csnn2)ccc1C ZINC000019719286 210288705 /nfs/dbraw/zinc/28/87/05/210288705.db2.gz KKOSCTNKONQICZ-UHFFFAOYSA-N 1 2 391.500 4.591 40 0 GJABLO CC(C)c1ccc(OCC(=O)Nc2cc(N)ccc2[NH+]2CCC(C)CC2)cc1 ZINC000226253139 136192501 /nfs/dbraw/zinc/19/25/01/136192501.db2.gz CISUUESODPDEEK-UHFFFAOYSA-N 1 2 381.520 4.646 40 0 GJABLO Clc1ccc(CNc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000328979197 570210435 /nfs/dbraw/zinc/21/04/35/570210435.db2.gz GEMPZXBSLPCZHU-UHFFFAOYSA-N 1 2 392.934 4.998 40 0 GJABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](CO)C(C)C)n2)c(Cl)c1 ZINC000328978788 570210485 /nfs/dbraw/zinc/21/04/85/570210485.db2.gz GBDJABFLMYDTTB-FQEVSTJZSA-N 1 2 396.922 4.700 40 0 GJABLO CC[C@@H](C)Nc1nc(Nc2ccccc2C(F)(F)F)cc(-c2ccccc2)[nH+]1 ZINC000329043081 570214475 /nfs/dbraw/zinc/21/44/75/570214475.db2.gz SQYLHTLRUMKPMW-CQSZACIVSA-N 1 2 386.421 4.960 40 0 GJABLO Clc1cccc(CNc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)c1 ZINC000329056632 570215578 /nfs/dbraw/zinc/21/55/78/570215578.db2.gz VSRYNYGKHRGVHQ-UHFFFAOYSA-N 1 2 378.907 4.607 40 0 GJABLO O=S1(=O)C=C[C@H]([N@H+](Cc2ccccc2)C(c2ccccc2)c2ccccc2)C1 ZINC000575421309 570307491 /nfs/dbraw/zinc/30/74/91/570307491.db2.gz OJOUMUZHPSGRAJ-QHCPKHFHSA-N 1 2 389.520 4.589 40 0 GJABLO O=S1(=O)C=C[C@H]([N@@H+](Cc2ccccc2)C(c2ccccc2)c2ccccc2)C1 ZINC000575421309 570307492 /nfs/dbraw/zinc/30/74/92/570307492.db2.gz OJOUMUZHPSGRAJ-QHCPKHFHSA-N 1 2 389.520 4.589 40 0 GJABLO COc1cc(C)c([C@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1C(C)C ZINC000223382709 570463221 /nfs/dbraw/zinc/46/32/21/570463221.db2.gz HEHKZDBEGHWUHF-SFHVURJKSA-N 1 2 391.515 4.863 40 0 GJABLO O=C(C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1)Nc1cccc2ccccc21 ZINC000035313153 570467782 /nfs/dbraw/zinc/46/77/82/570467782.db2.gz VPKHMNRUKCIFQM-UHFFFAOYSA-N 1 2 390.458 4.512 40 0 GJABLO Cc1nc2n(n1)C(=O)C([C@@H](c1ccc(C(C)C)cc1)[NH+]1C[C@@H](C)C[C@H](C)C1)S2 ZINC000033708540 570646334 /nfs/dbraw/zinc/64/63/34/570646334.db2.gz SRFDAWJCAMRPEL-YZVOILCLSA-N 1 2 398.576 4.996 40 0 GJABLO CCC(C)(C)n1nnnc1[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000013561743 570851767 /nfs/dbraw/zinc/85/17/67/570851767.db2.gz BEXJYLKRNFENCW-RHSMWYFYSA-N 1 2 395.473 4.658 40 0 GJABLO CCC(C)(C)n1nnnc1[C@@H](c1cccc(C(F)(F)F)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000013561743 570851770 /nfs/dbraw/zinc/85/17/70/570851770.db2.gz BEXJYLKRNFENCW-RHSMWYFYSA-N 1 2 395.473 4.658 40 0 GJABLO CCc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3[C@H](C)c3ccncc3)cc2n1 ZINC000257302339 570904777 /nfs/dbraw/zinc/90/47/77/570904777.db2.gz SCNVTXUZJBSCEH-CXAGYDPISA-N 1 2 389.425 4.604 40 0 GJABLO CCc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@H+]3[C@H](C)c3ccncc3)cc2n1 ZINC000257302339 570904781 /nfs/dbraw/zinc/90/47/81/570904781.db2.gz SCNVTXUZJBSCEH-CXAGYDPISA-N 1 2 389.425 4.604 40 0 GJABLO O=c1oc2ccccc2cc1-c1csc(SCc2cn3ccccc3[nH+]2)n1 ZINC000016525694 570927491 /nfs/dbraw/zinc/92/74/91/570927491.db2.gz VEDSOUCEKNHWLI-UHFFFAOYSA-N 1 2 391.477 4.857 40 0 GJABLO COc1ccccc1C[N@@H+]1CCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 ZINC000019574891 210267458 /nfs/dbraw/zinc/26/74/58/210267458.db2.gz WLNPAAUNSGIRDR-MZMPZRCHSA-N 1 2 394.441 4.536 40 0 GJABLO COc1ccccc1C[N@H+]1CCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 ZINC000019574891 210267464 /nfs/dbraw/zinc/26/74/64/210267464.db2.gz WLNPAAUNSGIRDR-MZMPZRCHSA-N 1 2 394.441 4.536 40 0 GJABLO COc1c(Cl)cc(C(=O)Nc2cc(N)ccc2[NH+]2CCCCC2)cc1Cl ZINC000226261862 209186755 /nfs/dbraw/zinc/18/67/55/209186755.db2.gz XDEIIAPXWJJNCT-UHFFFAOYSA-N 1 2 394.302 4.827 40 0 GJABLO CC(C)(C)Nc1nc(Nc2ccc(F)cc2Br)cc(C2CC2)[nH+]1 ZINC000329047126 203772669 /nfs/dbraw/zinc/77/26/69/203772669.db2.gz UEWMUEPBGDXVJJ-UHFFFAOYSA-N 1 2 379.277 4.632 40 0 GJABLO FC(F)(F)Oc1cccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000329066589 209159054 /nfs/dbraw/zinc/15/90/54/209159054.db2.gz YBLURQABQQKVEZ-UHFFFAOYSA-N 1 2 392.425 4.585 40 0 GJABLO Clc1cccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c1Cl ZINC000328987599 209156537 /nfs/dbraw/zinc/15/65/37/209156537.db2.gz IBCLFSZWOYZILE-UHFFFAOYSA-N 1 2 377.319 4.993 40 0 GJABLO CC(C)c1[nH+]ccn1-c1cccc(C2CCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000072378386 205340488 /nfs/dbraw/zinc/34/04/88/205340488.db2.gz PKLQPHKRPPTLEL-UHFFFAOYSA-N 1 2 392.478 4.550 40 0 GJABLO C[N@@H+]1CCC[C@H]2[NH+](Cc3ccc(-c4ccccc4C(=O)[O-])cc3)CCC[C@@]21C ZINC000257310019 206176187 /nfs/dbraw/zinc/17/61/87/206176187.db2.gz UDJPMNYNDXHPGV-VWNXMTODSA-N 1 2 378.516 4.501 40 0 GJABLO C[N@H+]1CCC[C@H]2[NH+](Cc3ccc(-c4ccccc4C(=O)[O-])cc3)CCC[C@@]21C ZINC000257310019 206176192 /nfs/dbraw/zinc/17/61/92/206176192.db2.gz UDJPMNYNDXHPGV-VWNXMTODSA-N 1 2 378.516 4.501 40 0 GJABLO C[NH+]1CCC[C@H]2[N@H+](Cc3ccc(-c4ccccc4C(=O)[O-])cc3)CCC[C@@]21C ZINC000257310019 206176194 /nfs/dbraw/zinc/17/61/94/206176194.db2.gz UDJPMNYNDXHPGV-VWNXMTODSA-N 1 2 378.516 4.501 40 0 GJABLO C[NH+]1CCC[C@H]2[N@@H+](Cc3ccc(-c4ccccc4C(=O)[O-])cc3)CCC[C@@]21C ZINC000257310019 206176199 /nfs/dbraw/zinc/17/61/99/206176199.db2.gz UDJPMNYNDXHPGV-VWNXMTODSA-N 1 2 378.516 4.501 40 0 GJABLO Clc1ccc2c(c1)[C@H]1OCCC[C@@H]1C1(CC[NH+](Cc3cscn3)CC1)O2 ZINC000257256985 206167738 /nfs/dbraw/zinc/16/77/38/206167738.db2.gz KNPZTRRVNNFYDG-PKOBYXMFSA-N 1 2 390.936 4.691 40 0 GJABLO CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccc(F)cc2)n1 ZINC000072378851 211104615 /nfs/dbraw/zinc/10/46/15/211104615.db2.gz ZUTFHCLJUWSKNO-IBGZPJMESA-N 1 2 378.451 4.507 40 0 GJABLO CCn1ccnc1C[N@@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2Cl)n1 ZINC000072358236 211098229 /nfs/dbraw/zinc/09/82/29/211098229.db2.gz UXLFIHKRAZKJLF-OAQYLSRUSA-N 1 2 380.923 4.879 40 0 GJABLO CCn1ccnc1C[N@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2Cl)n1 ZINC000072358236 211098233 /nfs/dbraw/zinc/09/82/33/211098233.db2.gz UXLFIHKRAZKJLF-OAQYLSRUSA-N 1 2 380.923 4.879 40 0 GJABLO CC(C)c1[nH+]c2ccccc2n1CCCC(=O)N[C@H]1CCOc2ccccc21 ZINC000019667005 210281851 /nfs/dbraw/zinc/28/18/51/210281851.db2.gz GCDHECCECDISJR-SFHVURJKSA-N 1 2 377.488 4.580 40 0 GJABLO C[C@@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1cccc(Br)c1 ZINC000226254753 136192590 /nfs/dbraw/zinc/19/25/90/136192590.db2.gz HBYXBYLDMITOPQ-CYBMUJFWSA-N 1 2 388.309 4.662 40 0 GJABLO C[C@@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1cccc(Br)c1 ZINC000226254753 136192591 /nfs/dbraw/zinc/19/25/91/136192591.db2.gz HBYXBYLDMITOPQ-CYBMUJFWSA-N 1 2 388.309 4.662 40 0 GJABLO Cc1ccc([NH+]2CCC(C(=O)NCCSCc3cccc(C)c3)CC2)cc1 ZINC000219853628 136204325 /nfs/dbraw/zinc/20/43/25/136204325.db2.gz LQJBYACECQCCAH-UHFFFAOYSA-N 1 2 382.573 4.569 40 0 GJABLO CC[C@@H](C)Nc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072213575 570314033 /nfs/dbraw/zinc/31/40/33/570314033.db2.gz NQDYRELIMKYKSL-YLJYHZDGSA-N 1 2 387.549 4.516 40 0 GJABLO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(NC3CCCC3)[nH+]c2)cc1 ZINC000072213996 570314233 /nfs/dbraw/zinc/31/42/33/570314233.db2.gz DGERPXGFXKQWIZ-OAQYLSRUSA-N 1 2 399.560 4.660 40 0 GJABLO Cc1cc([C@H]2CCCCN2C(=O)OCc2ccccc2)c[nH+]c1N1CCCC1 ZINC000072218831 570317924 /nfs/dbraw/zinc/31/79/24/570317924.db2.gz ZPEFMSGNPXTHIM-OAQYLSRUSA-N 1 2 379.504 4.854 40 0 GJABLO CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022527041 570320415 /nfs/dbraw/zinc/32/04/15/570320415.db2.gz PTYCQVNDHJLTCG-HXUWFJFHSA-N 1 2 388.964 4.555 40 0 GJABLO CC(C)[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000057614122 570365910 /nfs/dbraw/zinc/36/59/10/570365910.db2.gz UVOAHZDSQFHIHG-NRFANRHFSA-N 1 2 395.526 4.967 40 0 GJABLO CC(C)[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000057614122 570365912 /nfs/dbraw/zinc/36/59/12/570365912.db2.gz UVOAHZDSQFHIHG-NRFANRHFSA-N 1 2 395.526 4.967 40 0 GJABLO CC(C)[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cccs1)Cc1ccccc1 ZINC000057614146 570365937 /nfs/dbraw/zinc/36/59/37/570365937.db2.gz CFQDHJAYMGIKSH-LJQANCHMSA-N 1 2 383.565 4.889 40 0 GJABLO CC(C)[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cccs1)Cc1ccccc1 ZINC000057614146 570365939 /nfs/dbraw/zinc/36/59/39/570365939.db2.gz CFQDHJAYMGIKSH-LJQANCHMSA-N 1 2 383.565 4.889 40 0 GJABLO COc1cccc([C@@H]2CCCN2C(=O)COc2cc(C)[nH+]c3ccc(C)cc32)c1 ZINC000035316781 570470351 /nfs/dbraw/zinc/47/03/51/570470351.db2.gz IOMHNDKWPGYCMG-QFIPXVFZSA-N 1 2 390.483 4.603 40 0 GJABLO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1Cl)c1ccc(F)cc1 ZINC000001346469 570572186 /nfs/dbraw/zinc/57/21/86/570572186.db2.gz UQALTPLWMGVEQE-UHFFFAOYSA-N 1 2 398.850 4.583 40 0 GJABLO COc1ccccc1NC(=S)N1CCC[C@@H](c2[nH]c3cc(C)c(C)cc3[nH+]2)C1 ZINC000004858921 570639376 /nfs/dbraw/zinc/63/93/76/570639376.db2.gz IUBMKWMBOCTLMD-MRXNPFEDSA-N 1 2 394.544 4.765 40 0 GJABLO Cc1ccccc1[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000044937743 570644439 /nfs/dbraw/zinc/64/44/39/570644439.db2.gz ZDUIOJDFDAFESW-XMMPIXPASA-N 1 2 381.479 4.759 40 0 GJABLO CCOc1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](CO)C(C)C)n2)cc1 ZINC000328995302 209155866 /nfs/dbraw/zinc/15/58/66/209155866.db2.gz JICMPSFGESQQAM-OAQYLSRUSA-N 1 2 392.503 4.715 40 0 GJABLO Cc1noc(C)c1-c1nc(C)cc([C@@H]2CCCC[N@H+]2Cc2nccn2C(C)C)n1 ZINC000257326486 206179641 /nfs/dbraw/zinc/17/96/41/206179641.db2.gz WXJOYZJDWDMIPG-IBGZPJMESA-N 1 2 394.523 4.561 40 0 GJABLO Cc1noc(C)c1-c1nc(C)cc([C@@H]2CCCC[N@@H+]2Cc2nccn2C(C)C)n1 ZINC000257326486 206179645 /nfs/dbraw/zinc/17/96/45/206179645.db2.gz WXJOYZJDWDMIPG-IBGZPJMESA-N 1 2 394.523 4.561 40 0 GJABLO Cc1cc(N)c(NC(=O)c2ccc(Br)cc2)cc1[NH+]1CCCCC1 ZINC000226330400 136192506 /nfs/dbraw/zinc/19/25/06/136192506.db2.gz MHBCCEWWWJLKFM-UHFFFAOYSA-N 1 2 388.309 4.582 40 0 GJABLO Cc1ccc([NH+]2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000219851667 136204427 /nfs/dbraw/zinc/20/44/27/136204427.db2.gz JJDNENCAYWGQCE-UHFFFAOYSA-N 1 2 377.315 4.835 40 0 GJABLO COc1ccc(C(=O)Nc2cc([NH+]3[C@@H](C)CCC[C@@H]3C)c(C)cc2N)cc1OC ZINC000226331422 536776312 /nfs/dbraw/zinc/77/63/12/536776312.db2.gz BZUARQQNBUEWMX-HOTGVXAUSA-N 1 2 397.519 4.614 40 0 GJABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](C)CO)n2)ccc1C(C)C ZINC000329028642 570213740 /nfs/dbraw/zinc/21/37/40/570213740.db2.gz PWJCVFWYZOUYMW-QGZVFWFLSA-N 1 2 376.504 4.534 40 0 GJABLO CC(C)(C)Nc1nc(Nc2ccc(Br)cc2F)cc(C2CC2)[nH+]1 ZINC000329037094 570213993 /nfs/dbraw/zinc/21/39/93/570213993.db2.gz RLZWDJAUYAFCSM-UHFFFAOYSA-N 1 2 379.277 4.632 40 0 GJABLO CC(C)[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cccs1)Cc1ccccc1 ZINC000057614143 570366033 /nfs/dbraw/zinc/36/60/33/570366033.db2.gz CFQDHJAYMGIKSH-IBGZPJMESA-N 1 2 383.565 4.889 40 0 GJABLO CC(C)[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cccs1)Cc1ccccc1 ZINC000057614143 570366035 /nfs/dbraw/zinc/36/60/35/570366035.db2.gz CFQDHJAYMGIKSH-IBGZPJMESA-N 1 2 383.565 4.889 40 0 GJABLO CC(C)[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000057614125 570366070 /nfs/dbraw/zinc/36/60/70/570366070.db2.gz UVOAHZDSQFHIHG-OAQYLSRUSA-N 1 2 395.526 4.967 40 0 GJABLO CC(C)[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000057614125 570366074 /nfs/dbraw/zinc/36/60/74/570366074.db2.gz UVOAHZDSQFHIHG-OAQYLSRUSA-N 1 2 395.526 4.967 40 0 GJABLO Fc1cccc(CNc2ncc(-c3[nH]cc[nH+]3)c(-c3ccc(Cl)cc3)n2)c1 ZINC000057761918 570372537 /nfs/dbraw/zinc/37/25/37/570372537.db2.gz PLNWYGMHMWYOHL-UHFFFAOYSA-N 1 2 379.826 4.938 40 0 GJABLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000038833115 570585177 /nfs/dbraw/zinc/58/51/77/570585177.db2.gz WFLAQXDLCQYHMD-UHFFFAOYSA-N 1 2 381.479 4.774 40 0 GJABLO COc1cccc(NC(=S)N2CCC[C@H](c3[nH]c4cc(C)c(C)cc4[nH+]3)C2)c1 ZINC000004858924 570639237 /nfs/dbraw/zinc/63/92/37/570639237.db2.gz BIEZOIHALFLSTB-INIZCTEOSA-N 1 2 394.544 4.765 40 0 GJABLO COc1ccc(-c2nc(Nc3ccc(Cl)c(Cl)c3)cc(N)[nH+]2)cc1OC ZINC000049468171 570663273 /nfs/dbraw/zinc/66/32/73/570663273.db2.gz DCMUXQBBCMHXLY-UHFFFAOYSA-N 1 2 391.258 4.793 40 0 GJABLO COc1ccc(-c2nc(N)cc(Nc3ccc(Cl)c(Cl)c3)[nH+]2)cc1OC ZINC000049468171 570663280 /nfs/dbraw/zinc/66/32/80/570663280.db2.gz DCMUXQBBCMHXLY-UHFFFAOYSA-N 1 2 391.258 4.793 40 0 GJABLO O=C(CCCn1cc[nH+]c1)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000019292631 210239484 /nfs/dbraw/zinc/23/94/84/210239484.db2.gz VSNDYIACKPLPSC-UHFFFAOYSA-N 1 2 395.315 4.656 40 0 GJABLO COC(=O)[C@@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000016757554 210197397 /nfs/dbraw/zinc/19/73/97/210197397.db2.gz JYZSNMAXSCIODQ-OAHLLOKOSA-N 1 2 389.480 4.741 40 0 GJABLO COc1ccc(CNc2c(-c3ccccc3O)[nH+]c3ccc(Cl)cn32)cc1 ZINC000004848484 204081545 /nfs/dbraw/zinc/08/15/45/204081545.db2.gz ILOSRQHQROFJSH-UHFFFAOYSA-N 1 2 379.847 4.981 40 0 GJABLO O=c1[nH]cc(-c2ccc(Cl)cc2)cc1CNc1ccc(Cn2cc[nH+]c2)cc1 ZINC000012143462 204375639 /nfs/dbraw/zinc/37/56/39/204375639.db2.gz GEJCAVPKPZWEDP-UHFFFAOYSA-N 1 2 390.874 4.552 40 0 GJABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccccc1CCc1ccccc1 ZINC000038754755 205039344 /nfs/dbraw/zinc/03/93/44/205039344.db2.gz VXDLKZQTAVMOGS-UHFFFAOYSA-N 1 2 381.479 4.588 40 0 GJABLO CC(C)(C)c1ccc2c(Cl)c(C(=O)NCCCn3cc[nH+]c3)sc2c1 ZINC000028629229 206045466 /nfs/dbraw/zinc/04/54/66/206045466.db2.gz LKRUVEHQGDMUAZ-UHFFFAOYSA-N 1 2 375.925 4.869 40 0 GJABLO CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 ZINC000072378858 211104902 /nfs/dbraw/zinc/10/49/02/211104902.db2.gz SQFLDTIYBPHCIN-SFHVURJKSA-N 1 2 392.478 4.550 40 0 GJABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccc(Br)cc3F)CC2)cc1 ZINC000219857803 136204322 /nfs/dbraw/zinc/20/43/22/136204322.db2.gz CRYJCMKREPWRPW-UHFFFAOYSA-N 1 2 391.284 4.752 40 0 GJABLO Cc1cc(C)c(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](CO)C(C)C)n2)c(C)c1 ZINC000328980384 570210387 /nfs/dbraw/zinc/21/03/87/570210387.db2.gz GMBVYVIMPBFPJR-NRFANRHFSA-N 1 2 390.531 4.663 40 0 GJABLO Cc1ccc(Cl)cc1Nc1cc(-c2ccccc2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000329019855 570213090 /nfs/dbraw/zinc/21/30/90/570213090.db2.gz NYRGHUGMHQKCDI-FQEVSTJZSA-N 1 2 396.922 4.700 40 0 GJABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1C(C)(C)CC)c1ccc(C)cc1 ZINC000057613808 570365601 /nfs/dbraw/zinc/36/56/01/570365601.db2.gz PUUZKSNYSNKYBU-NRFANRHFSA-N 1 2 377.536 4.738 40 0 GJABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1C(C)(C)CC)c1ccc(C)cc1 ZINC000057613808 570365603 /nfs/dbraw/zinc/36/56/03/570365603.db2.gz PUUZKSNYSNKYBU-NRFANRHFSA-N 1 2 377.536 4.738 40 0 GJABLO Cc1ccc(C(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)cc1 ZINC000001346664 570572654 /nfs/dbraw/zinc/57/26/54/570572654.db2.gz NDSQLWSBYCVXCW-UHFFFAOYSA-N 1 2 394.887 4.752 40 0 GJABLO CCOc1ccc(NC(=O)N2CCC[C@H](c3[nH]c4cc(C)c(C)cc4[nH+]3)C2)cc1 ZINC000001350242 570573107 /nfs/dbraw/zinc/57/31/07/570573107.db2.gz OXCTZDXCUFBUAB-KRWDZBQOSA-N 1 2 392.503 4.990 40 0 GJABLO Cc1[nH+]c2cc(F)ccc2n1C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004858334 570639299 /nfs/dbraw/zinc/63/92/99/570639299.db2.gz DPGNPOPTYJOTEL-UHFFFAOYSA-N 1 2 395.522 4.864 40 0 GJABLO COc1cc(C)c2nc3c(cc2c1)C[N@@H+](CCc1ccc(Cl)cc1)CCO3 ZINC000013563836 570852200 /nfs/dbraw/zinc/85/22/00/570852200.db2.gz XRGJMBOCQYPEOY-UHFFFAOYSA-N 1 2 382.891 4.642 40 0 GJABLO COc1cc(C)c2nc3c(cc2c1)C[N@H+](CCc1ccc(Cl)cc1)CCO3 ZINC000013563836 570852203 /nfs/dbraw/zinc/85/22/03/570852203.db2.gz XRGJMBOCQYPEOY-UHFFFAOYSA-N 1 2 382.891 4.642 40 0 GJABLO CCOC(=O)CSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000016757623 570933187 /nfs/dbraw/zinc/93/31/87/570933187.db2.gz PAHIGNLANJMIHA-UHFFFAOYSA-N 1 2 389.480 4.743 40 0 GJABLO COc1cccc(C[N@@H+]2CCCC[C@H]2c2nnc(-c3ccsc3)o2)c1OC ZINC000019567898 571008436 /nfs/dbraw/zinc/00/84/36/571008436.db2.gz BKMNOVUTMMDIQP-INIZCTEOSA-N 1 2 385.489 4.543 40 0 GJABLO COc1cccc(C[N@H+]2CCCC[C@H]2c2nnc(-c3ccsc3)o2)c1OC ZINC000019567898 571008439 /nfs/dbraw/zinc/00/84/39/571008439.db2.gz BKMNOVUTMMDIQP-INIZCTEOSA-N 1 2 385.489 4.543 40 0 GJABLO CCNc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328966843 571047591 /nfs/dbraw/zinc/04/75/91/571047591.db2.gz COLFJQPYVJSDJL-UHFFFAOYSA-N 1 2 390.434 4.775 40 0 GJABLO O=C(/C(=C/c1ccco1)c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408563692 231062689 /nfs/dbraw/zinc/06/26/89/231062689.db2.gz OAKBFCJQTIIEQY-RDKGWYLCSA-N 1 2 398.506 4.678 40 0 GJABLO Cc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3Cc3ccccc3F)cc2n1 ZINC000019116920 210224844 /nfs/dbraw/zinc/22/48/44/210224844.db2.gz QWYWKIOSXTXFNO-INIZCTEOSA-N 1 2 378.373 4.533 40 0 GJABLO Cc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@H+]3Cc3ccccc3F)cc2n1 ZINC000019116920 210224849 /nfs/dbraw/zinc/22/48/49/210224849.db2.gz QWYWKIOSXTXFNO-INIZCTEOSA-N 1 2 378.373 4.533 40 0 GJABLO COC(=O)[C@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000016757558 210196368 /nfs/dbraw/zinc/19/63/68/210196368.db2.gz JYZSNMAXSCIODQ-HNNXBMFYSA-N 1 2 389.480 4.741 40 0 GJABLO CN(C)c1nc2ccccc2cc1C[NH2+][C@@H](Cc1ccsc1)c1nccs1 ZINC000012325679 204397854 /nfs/dbraw/zinc/39/78/54/204397854.db2.gz VPWPYXCMKKQNRV-IBGZPJMESA-N 1 2 394.569 4.892 40 0 GJABLO CCNc1nc(Nc2ccc(Br)cc2C)cc(-c2ccccc2)[nH+]1 ZINC000329067701 209159703 /nfs/dbraw/zinc/15/97/03/209159703.db2.gz YKGGKOPSGPSGBH-UHFFFAOYSA-N 1 2 383.293 4.812 40 0 GJABLO O=C(CN(c1ccc(Cl)cc1)C1=[NH+]CCCCC1)c1ccc2c(c1)OCCO2 ZINC000008418846 206224032 /nfs/dbraw/zinc/22/40/32/206224032.db2.gz YDKSNUDUZFBMGN-UHFFFAOYSA-N 1 2 398.890 4.773 40 0 GJABLO O=C(Nc1ccccc1)N1CCC2(CCn3c(-c4cccc(F)c4)c[nH+]c32)CC1 ZINC000096080118 570210061 /nfs/dbraw/zinc/21/00/61/570210061.db2.gz VRXVZZIDQOGMTR-UHFFFAOYSA-N 1 2 390.462 4.659 40 0 GJABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](CO)C(C)C)n2)c(Cl)c1 ZINC000328978789 570210376 /nfs/dbraw/zinc/21/03/76/570210376.db2.gz GBDJABFLMYDTTB-HXUWFJFHSA-N 1 2 396.922 4.700 40 0 GJABLO Cc1cc(N2CCc3ccc(Br)cc3C2)nc(Nc2ccccc2)[nH+]1 ZINC000329052650 570215203 /nfs/dbraw/zinc/21/52/03/570215203.db2.gz VDNAJVMXLPPNQD-UHFFFAOYSA-N 1 2 395.304 4.854 40 0 GJABLO O=C1Nc2nc(cs2)[C@H]2CCC[N@@H+]2Cc2cccc(c2)OCc2cccc1c2 ZINC000585281642 570247978 /nfs/dbraw/zinc/24/79/78/570247978.db2.gz NSMOIMIZVNNWJO-HXUWFJFHSA-N 1 2 391.496 4.625 40 0 GJABLO O=C1Nc2nc(cs2)[C@H]2CCC[N@H+]2Cc2cccc(c2)OCc2cccc1c2 ZINC000585281642 570247982 /nfs/dbraw/zinc/24/79/82/570247982.db2.gz NSMOIMIZVNNWJO-HXUWFJFHSA-N 1 2 391.496 4.625 40 0 GJABLO O=C(OCc1ccccc1)N1CCC[C@H]1c1ccc(N2CCCCCC2)[nH+]c1 ZINC000072216638 570317517 /nfs/dbraw/zinc/31/75/17/570317517.db2.gz IHIUMXLAPBUYKU-NRFANRHFSA-N 1 2 379.504 4.936 40 0 GJABLO COc1cccc(C[N@H+](Cc2ccc(F)c(F)c2)Cc2ccccn2)c1OC ZINC000019567525 210266308 /nfs/dbraw/zinc/26/63/08/210266308.db2.gz HVYYLPUIJRQKJI-UHFFFAOYSA-N 1 2 384.426 4.579 40 0 GJABLO COc1cccc(C[N@@H+](Cc2ccc(F)c(F)c2)Cc2ccccn2)c1OC ZINC000019567525 210266310 /nfs/dbraw/zinc/26/63/10/210266310.db2.gz HVYYLPUIJRQKJI-UHFFFAOYSA-N 1 2 384.426 4.579 40 0 GJABLO CC(C)c1ccc(Nc2nc(N3CCCCC3)[nH+]c(N3CCCCC3)n2)cc1 ZINC000000714586 212176425 /nfs/dbraw/zinc/17/64/25/212176425.db2.gz NSXQWELFXOZRJT-UHFFFAOYSA-N 1 2 380.540 4.719 40 0 GJABLO COc1ccc2c(c1)CCN(c1cc(Nc3cccc(Cl)c3)nc(C)[nH+]1)C2 ZINC000329017454 212093421 /nfs/dbraw/zinc/09/34/21/212093421.db2.gz NMFZYUAOJBIWCV-UHFFFAOYSA-N 1 2 380.879 4.753 40 0 GJABLO COc1ccc2c(c1)CCN(c1cc(Nc3cccc(Cl)c3)[nH+]c(C)n1)C2 ZINC000329017454 212093423 /nfs/dbraw/zinc/09/34/23/212093423.db2.gz NMFZYUAOJBIWCV-UHFFFAOYSA-N 1 2 380.879 4.753 40 0 GJABLO COc1ccc2c(c1)CCN(c1cc(C)[nH+]c(Nc3cccc(Cl)c3)n1)C2 ZINC000329065677 206243628 /nfs/dbraw/zinc/24/36/28/206243628.db2.gz XTPWAXLNMFAFKQ-UHFFFAOYSA-N 1 2 380.879 4.753 40 0 GJABLO Cc1nn(C[C@@H](C)c2cc(NCCc3cccc(F)c3)nc(C)[nH+]2)c(C)c1C ZINC000019717916 207155944 /nfs/dbraw/zinc/15/59/44/207155944.db2.gz XQLDPXQSXSZGKU-CQSZACIVSA-N 1 2 381.499 4.504 40 0 GJABLO CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000030872142 207378736 /nfs/dbraw/zinc/37/87/36/207378736.db2.gz BDGLBRMCLHYCTJ-IBGZPJMESA-N 1 2 385.920 4.713 40 0 GJABLO CC(C)c1ccc(OCC(=O)Nc2cc(N)ccc2[N@@H+]2CCCC[C@H]2C)cc1 ZINC000226253173 136192495 /nfs/dbraw/zinc/19/24/95/136192495.db2.gz KJEKDPWSLLFHJH-QGZVFWFLSA-N 1 2 381.520 4.789 40 0 GJABLO CC(C)c1ccc(OCC(=O)Nc2cc(N)ccc2[N@H+]2CCCC[C@H]2C)cc1 ZINC000226253173 136192496 /nfs/dbraw/zinc/19/24/96/136192496.db2.gz KJEKDPWSLLFHJH-QGZVFWFLSA-N 1 2 381.520 4.789 40 0 GJABLO C[C@@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1ccc(Br)cc1 ZINC000226254880 136192597 /nfs/dbraw/zinc/19/25/97/136192597.db2.gz PEXAKAAMMANWFA-CYBMUJFWSA-N 1 2 388.309 4.662 40 0 GJABLO C[C@@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1ccc(Br)cc1 ZINC000226254880 136192598 /nfs/dbraw/zinc/19/25/98/136192598.db2.gz PEXAKAAMMANWFA-CYBMUJFWSA-N 1 2 388.309 4.662 40 0 GJABLO Clc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)cc1Cl ZINC000329018960 570213014 /nfs/dbraw/zinc/21/30/14/570213014.db2.gz NUGCVNLOVTZJBT-UHFFFAOYSA-N 1 2 377.319 4.993 40 0 GJABLO O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc(N2CCCCC2)[nH+]c1 ZINC000072216072 570316826 /nfs/dbraw/zinc/31/68/26/570316826.db2.gz OMVGDSBUQAIBBP-OAQYLSRUSA-N 1 2 379.504 4.936 40 0 GJABLO O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc(N2CCCCC2)[nH+]c1 ZINC000072216073 570316893 /nfs/dbraw/zinc/31/68/93/570316893.db2.gz OMVGDSBUQAIBBP-NRFANRHFSA-N 1 2 379.504 4.936 40 0 GJABLO Fc1ccccc1CNc1ncc(-c2[nH]cc[nH+]2)c(-c2ccc(Cl)cc2)n1 ZINC000057761912 570372575 /nfs/dbraw/zinc/37/25/75/570372575.db2.gz PTTDGRXPAMRRNV-UHFFFAOYSA-N 1 2 379.826 4.938 40 0 GJABLO Cc1cccn2cc(-c3cccc(NS(=O)(=O)c4ccc(C)c(C)c4)c3)[nH+]c12 ZINC000224137595 570423109 /nfs/dbraw/zinc/42/31/09/570423109.db2.gz XSCXJPJHZRXWKM-UHFFFAOYSA-N 1 2 391.496 4.727 40 0 GJABLO CC(C)c1cc(C(C)C)c(S(=O)(=O)NCCCn2cc[nH+]c2)c(C(C)C)c1 ZINC000011613755 570576592 /nfs/dbraw/zinc/57/65/92/570576592.db2.gz WZCRHTUEIKIMQE-UHFFFAOYSA-N 1 2 391.581 4.622 40 0 GJABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)c(C)n1 ZINC000257245450 570769645 /nfs/dbraw/zinc/76/96/45/570769645.db2.gz IPOQFTBXQLSEIQ-JOCHJYFZSA-N 1 2 396.922 4.500 40 0 GJABLO CCn1cc(C[N@H+]2CCO[C@@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)c(C)n1 ZINC000257245450 570769648 /nfs/dbraw/zinc/76/96/48/570769648.db2.gz IPOQFTBXQLSEIQ-JOCHJYFZSA-N 1 2 396.922 4.500 40 0 GJABLO CC[N@H+](CCCNC(=O)c1cc(Br)ccc1Cl)c1ccccc1 ZINC000225076005 570952852 /nfs/dbraw/zinc/95/28/52/570952852.db2.gz URLXYSVCGBPSQI-UHFFFAOYSA-N 1 2 395.728 4.749 40 0 GJABLO CC[N@@H+](CCCNC(=O)c1cc(Br)ccc1Cl)c1ccccc1 ZINC000225076005 570952853 /nfs/dbraw/zinc/95/28/53/570952853.db2.gz URLXYSVCGBPSQI-UHFFFAOYSA-N 1 2 395.728 4.749 40 0 GJABLO CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3Cc3cccnc3)cc2N1 ZINC000019451302 570985693 /nfs/dbraw/zinc/98/56/93/570985693.db2.gz WBWXIMQERGWJRU-CGTJXYLNSA-N 1 2 393.457 4.559 40 0 GJABLO CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCC[N@H+]3Cc3cccnc3)cc2N1 ZINC000019451302 570985697 /nfs/dbraw/zinc/98/56/97/570985697.db2.gz WBWXIMQERGWJRU-CGTJXYLNSA-N 1 2 393.457 4.559 40 0 GJABLO CCCn1nc(C)c(-c2c[nH+]cn2CC2(c3ccc(C)cc3)CCOCC2)c1C ZINC000019654634 571022705 /nfs/dbraw/zinc/02/27/05/571022705.db2.gz DJCMOAYFVKTFAD-UHFFFAOYSA-N 1 2 392.547 4.830 40 0 GJABLO Cc1c(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)cccc1C(F)(F)F ZINC000328960413 571047081 /nfs/dbraw/zinc/04/70/81/571047081.db2.gz AXLDOLYWSWORBJ-UHFFFAOYSA-N 1 2 376.426 4.623 40 0 GJABLO CCNc1nc(Nc2ccc(OC(F)(F)F)cc2C)cc(-c2ccccc2)[nH+]1 ZINC000328959503 571047294 /nfs/dbraw/zinc/04/72/94/571047294.db2.gz AUSOFUHGZPZJEB-UHFFFAOYSA-N 1 2 388.393 4.948 40 0 GJABLO Cc1cc2c(cc1C)C[NH+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C2 ZINC000409200336 231178017 /nfs/dbraw/zinc/17/80/17/231178017.db2.gz RKWCMHLBICIKCO-UHFFFAOYSA-N 1 2 382.813 4.930 40 0 GJABLO CC1=C[C@@H](CNC(=O)C2CC2)[C@H](C(C)C)C[C@H]1Cc1[nH]c2ccc(F)cc2[nH+]1 ZINC000072320860 291140734 /nfs/dbraw/zinc/14/07/34/291140734.db2.gz UAVNLOQNSFKQBA-LNLFQRSKSA-N 1 2 383.511 4.625 40 0 biogenic,in-vitro GJABLO CC(C)c1nc(N2CCc3cc([C@@H](C)O)ccc3C2)cc(Nc2ccccc2)[nH+]1 ZINC000328972200 206239942 /nfs/dbraw/zinc/23/99/42/206239942.db2.gz DVKBSIMRECSQHW-QGZVFWFLSA-N 1 2 388.515 4.960 40 0 GJABLO CC(C)c1nc(Nc2ccccc2)cc(N2CCc3cc([C@@H](C)O)ccc3C2)[nH+]1 ZINC000328972200 206239945 /nfs/dbraw/zinc/23/99/45/206239945.db2.gz DVKBSIMRECSQHW-QGZVFWFLSA-N 1 2 388.515 4.960 40 0 GJABLO CCc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3[C@@H](C)c3ccncc3)cc2n1 ZINC000019522324 207126588 /nfs/dbraw/zinc/12/65/88/207126588.db2.gz SCNVTXUZJBSCEH-SUMWQHHRSA-N 1 2 389.425 4.604 40 0 GJABLO CCc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@H+]3[C@@H](C)c3ccncc3)cc2n1 ZINC000019522324 207126593 /nfs/dbraw/zinc/12/65/93/207126593.db2.gz SCNVTXUZJBSCEH-SUMWQHHRSA-N 1 2 389.425 4.604 40 0 GJABLO Cc1nn(C[C@@H](C)c2cc(NCCc3ccccc3F)nc(C)[nH+]2)c(C)c1C ZINC000019717918 207155280 /nfs/dbraw/zinc/15/52/80/207155280.db2.gz NUMJQUGGFOHETH-CQSZACIVSA-N 1 2 381.499 4.504 40 0 GJABLO Cc1ncc(C[N@@H+]2CCO[C@H](c3cccc(Cc4ccccc4Cl)n3)C2)s1 ZINC000257217224 209058319 /nfs/dbraw/zinc/05/83/19/209058319.db2.gz CYCRFGYPKKJQFF-NRFANRHFSA-N 1 2 399.947 4.664 40 0 GJABLO Cc1ncc(C[N@H+]2CCO[C@H](c3cccc(Cc4ccccc4Cl)n3)C2)s1 ZINC000257217224 209058321 /nfs/dbraw/zinc/05/83/21/209058321.db2.gz CYCRFGYPKKJQFF-NRFANRHFSA-N 1 2 399.947 4.664 40 0 GJABLO Cc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3Cc3ccccc3F)cc2n1 ZINC000019116923 221396054 /nfs/dbraw/zinc/39/60/54/221396054.db2.gz QWYWKIOSXTXFNO-MRXNPFEDSA-N 1 2 378.373 4.533 40 0 GJABLO Cc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@H+]3Cc3ccccc3F)cc2n1 ZINC000019116923 221396058 /nfs/dbraw/zinc/39/60/58/221396058.db2.gz QWYWKIOSXTXFNO-MRXNPFEDSA-N 1 2 378.373 4.533 40 0 GJABLO Cc1ccc([NH+]2CCC(C(=O)N[C@H]3CC(C)(C)Oc4cc(C)ccc43)CC2)cc1 ZINC000219865007 136204462 /nfs/dbraw/zinc/20/44/62/136204462.db2.gz FNOFWOZHGYSCMY-QFIPXVFZSA-N 1 2 392.543 4.938 40 0 GJABLO CN(C)c1cc([C@@H]2CCCN(C(=O)c3ccccc3-c3ccccc3)C2)cc[nH+]1 ZINC000257344612 209080340 /nfs/dbraw/zinc/08/03/40/209080340.db2.gz ZXZKORMMPSFTAE-OAQYLSRUSA-N 1 2 385.511 4.834 40 0 GJABLO Fc1ccc(CNc2ncc(-c3[nH]cc[nH+]3)c(-c3ccc(Cl)cc3)n2)cc1 ZINC000057761916 222036180 /nfs/dbraw/zinc/03/61/80/222036180.db2.gz ZMQHZNIFSYYAAP-UHFFFAOYSA-N 1 2 379.826 4.938 40 0 GJABLO C[NH+](C)c1ccc(-n2cccc2/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1 ZINC000004106678 570357427 /nfs/dbraw/zinc/35/74/27/570357427.db2.gz ZUXRDCIRWJNKOT-HMMYKYKNSA-N 1 2 389.480 4.784 40 0 GJABLO COc1ccc([C@H]2CC(c3sc(Nc4ccc(C)cc4)nc3C)=[NH+]N2)cc1 ZINC000005553261 570446018 /nfs/dbraw/zinc/44/60/18/570446018.db2.gz MMEVDWJRTLDSAD-GOSISDBHSA-N 1 2 378.501 4.951 40 0 GJABLO Cc1cccc(NC(=O)C[NH+]2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)c1C ZINC000035291766 570460543 /nfs/dbraw/zinc/46/05/43/570460543.db2.gz AMCGJELAQIOBNS-UHFFFAOYSA-N 1 2 396.922 4.651 40 0 GJABLO Cc1ccc2c(c1)[nH+]cn2C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000035315871 570470020 /nfs/dbraw/zinc/47/00/20/570470020.db2.gz FCWIXJCHKUAAFL-UHFFFAOYSA-N 1 2 377.532 4.725 40 0 GJABLO CC(C)n1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000001370988 570574938 /nfs/dbraw/zinc/57/49/38/570574938.db2.gz HVWIQVJVEGDONR-UHFFFAOYSA-N 1 2 397.910 4.625 40 0 GJABLO S=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1ccc(OC2CCCC2)cc1 ZINC000225455027 570575813 /nfs/dbraw/zinc/57/58/13/570575813.db2.gz VXNQYUNTUPJBQZ-UHFFFAOYSA-N 1 2 392.528 4.680 40 0 GJABLO O=C(C1CCC1)N1CCC[C@H](c2[nH+]c(Nc3cccc(F)c3)n3ccsc23)C1 ZINC000019294196 570973609 /nfs/dbraw/zinc/97/36/09/570973609.db2.gz ANGDWSMQINFHOB-HNNXBMFYSA-N 1 2 398.507 4.785 40 0 GJABLO Cc1nn(C[C@H](C)c2cc(NCCc3ccccc3F)nc(C)[nH+]2)c(C)c1C ZINC000019717917 571040700 /nfs/dbraw/zinc/04/07/00/571040700.db2.gz NUMJQUGGFOHETH-AWEZNQCLSA-N 1 2 381.499 4.504 40 0 GJABLO Clc1ccccc1CNc1cc(-c2ccccc2)[nH+]c(NC2CCCCC2)n1 ZINC000328955891 571046851 /nfs/dbraw/zinc/04/68/51/571046851.db2.gz ADIMSFMILRHHEN-UHFFFAOYSA-N 1 2 392.934 4.998 40 0 GJABLO CC[C@H](C)Nc1nc(Nc2c(C)cc(Br)cc2C)cc(C2CC2)[nH+]1 ZINC000329002144 212091694 /nfs/dbraw/zinc/09/16/94/212091694.db2.gz KFSXGJZBIREQQJ-ZDUSSCGKSA-N 1 2 389.341 4.531 40 0 GJABLO CC[C@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(C2CC2)[nH+]1 ZINC000328976831 212090881 /nfs/dbraw/zinc/09/08/81/212090881.db2.gz FQJFLWLWMGBEEL-JTQLQIEISA-N 1 2 384.833 4.824 40 0 GJABLO Cc1c(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)cccc1C(F)(F)F ZINC000329072119 206244089 /nfs/dbraw/zinc/24/40/89/206244089.db2.gz ZUXZTLIBBXYUGG-UHFFFAOYSA-N 1 2 384.405 4.633 40 0 GJABLO CC[C@@H](C)Nc1nc(Nc2ccc(Br)cc2C)cc(C2CC2)[nH+]1 ZINC000328995920 206240058 /nfs/dbraw/zinc/24/00/58/206240058.db2.gz JJJVVPNAKMOQIM-GFCCVEGCSA-N 1 2 375.314 4.801 40 0 GJABLO COc1ccc2ccc3c(c2c1)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1C3 ZINC000031829627 207386138 /nfs/dbraw/zinc/38/61/38/207386138.db2.gz MUSWLDXMCFTNFG-QFIPXVFZSA-N 1 2 375.468 4.521 40 0 GJABLO COc1ccc2ccc3c(c2c1)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1C3 ZINC000031829627 207386142 /nfs/dbraw/zinc/38/61/42/207386142.db2.gz MUSWLDXMCFTNFG-QFIPXVFZSA-N 1 2 375.468 4.521 40 0 GJABLO Cc1[nH+]cc(NC(=O)c2cccs2)n1-c1nc(-c2ccc(C)cc2)cs1 ZINC000032616159 207399549 /nfs/dbraw/zinc/39/95/49/207399549.db2.gz SZBBWCIPZVTLNW-UHFFFAOYSA-N 1 2 380.498 4.926 40 0 GJABLO Cc1ccccc1NC(=O)[C@H]1c2c([nH+]cn2C(C)C)CCN1Cc1ccccc1 ZINC000096037495 208256779 /nfs/dbraw/zinc/25/67/79/208256779.db2.gz PKCGJLBYWLIODQ-HSZRJFAPSA-N 1 2 388.515 4.511 40 0 GJABLO CCCCOC(=O)c1ccc(NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)cc1 ZINC000219859143 136204423 /nfs/dbraw/zinc/20/44/23/136204423.db2.gz ARZYDPABUZWOOD-UHFFFAOYSA-N 1 2 394.515 4.807 40 0 GJABLO Cc1ccc([NH+]2CCC(C(=O)NCCCc3cccc(OC(C)C)c3)CC2)cc1 ZINC000219862500 136204493 /nfs/dbraw/zinc/20/44/93/136204493.db2.gz NACNBBNGKFDQGE-UHFFFAOYSA-N 1 2 394.559 4.748 40 0 GJABLO Cc1[nH+]cc(NC(=O)Cc2ccc(F)cc2)n1-c1nc(-c2cccs2)cs1 ZINC000035682758 221831131 /nfs/dbraw/zinc/83/11/31/221831131.db2.gz AXTUUWXSJIOLHO-UHFFFAOYSA-N 1 2 398.488 4.686 40 0 GJABLO CC[C@@H](C)Nc1[nH+]cccc1[C@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072213463 570314050 /nfs/dbraw/zinc/31/40/50/570314050.db2.gz HFMCMJUZHMBYDZ-YLJYHZDGSA-N 1 2 387.549 4.516 40 0 GJABLO CCCCNc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072213697 570314112 /nfs/dbraw/zinc/31/41/12/570314112.db2.gz MAJGLNNNKUWWMP-HXUWFJFHSA-N 1 2 387.549 4.518 40 0 GJABLO CC(C)(C)c1ccc(/C=C/C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000023379499 570394103 /nfs/dbraw/zinc/39/41/03/570394103.db2.gz NMKAQEJTGZACOM-NJKRNUQASA-N 1 2 388.555 4.855 40 0 GJABLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3ccc(C(C)C)cc3)CC2)cc1 ZINC000004966928 570654134 /nfs/dbraw/zinc/65/41/34/570654134.db2.gz UQIDHVJBSVCJDL-UHFFFAOYSA-N 1 2 378.516 4.652 40 0 GJABLO C[C@H]1CCC[N@@H+]([C@H](c2nnnn2C2CCCC2)c2cccc(C(F)(F)F)c2)C1 ZINC000004968271 570654578 /nfs/dbraw/zinc/65/45/78/570654578.db2.gz RVRVUHIVWNXATC-KSSFIOAISA-N 1 2 393.457 4.628 40 0 GJABLO C[C@H]1CCC[N@H+]([C@H](c2nnnn2C2CCCC2)c2cccc(C(F)(F)F)c2)C1 ZINC000004968271 570654580 /nfs/dbraw/zinc/65/45/80/570654580.db2.gz RVRVUHIVWNXATC-KSSFIOAISA-N 1 2 393.457 4.628 40 0 GJABLO Cc1cc(C)cc(NC(=O)C[NH+]2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)c1 ZINC000005625879 570665338 /nfs/dbraw/zinc/66/53/38/570665338.db2.gz DIQPSCCLHCRPMM-UHFFFAOYSA-N 1 2 396.922 4.651 40 0 GJABLO Cn1cc(C[N@@H+]2CCc3onc(Nc4cccc(F)c4)c3C2)c2ccccc21 ZINC000019290453 570971745 /nfs/dbraw/zinc/97/17/45/570971745.db2.gz WVVZGZCLFZPBKS-UHFFFAOYSA-N 1 2 376.435 4.607 40 0 GJABLO Cn1cc(C[N@H+]2CCc3onc(Nc4cccc(F)c4)c3C2)c2ccccc21 ZINC000019290453 570971748 /nfs/dbraw/zinc/97/17/48/570971748.db2.gz WVVZGZCLFZPBKS-UHFFFAOYSA-N 1 2 376.435 4.607 40 0 GJABLO FC(F)(F)c1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)c(Cl)c1 ZINC000329071420 212096788 /nfs/dbraw/zinc/09/67/88/212096788.db2.gz ZPMIOEXNXNIYAB-UHFFFAOYSA-N 1 2 396.844 4.968 40 0 GJABLO Cc1nc2cc(Nc3cc(C4CC4)[nH+]c(NC4CCCCC4)n3)ccc2s1 ZINC000329044330 212094503 /nfs/dbraw/zinc/09/45/03/212094503.db2.gz SWLQATHMNRRISS-UHFFFAOYSA-N 1 2 379.533 4.604 40 0 GJABLO CC[C@@H](C)Nc1nc(Nc2cccc(Br)c2)cc(-c2ccccc2)[nH+]1 ZINC000329067201 212095231 /nfs/dbraw/zinc/09/52/31/212095231.db2.gz YGBQWWUBYADBIR-CQSZACIVSA-N 1 2 397.320 4.704 40 0 GJABLO CC[NH+](CC)c1ccc(N)cc1NC(=O)c1cc(Br)ccc1Cl ZINC000226261334 206259465 /nfs/dbraw/zinc/25/94/65/206259465.db2.gz USAFUBLGRJCIKP-UHFFFAOYSA-N 1 2 396.716 4.783 40 0 GJABLO CCc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3[C@@H](C)c3ccncc3)cc2n1 ZINC000019522323 207127164 /nfs/dbraw/zinc/12/71/64/207127164.db2.gz SCNVTXUZJBSCEH-GUYCJALGSA-N 1 2 389.425 4.604 40 0 GJABLO CCc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@H+]3[C@@H](C)c3ccncc3)cc2n1 ZINC000019522323 207127167 /nfs/dbraw/zinc/12/71/67/207127167.db2.gz SCNVTXUZJBSCEH-GUYCJALGSA-N 1 2 389.425 4.604 40 0 GJABLO CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3Cc3ccccn3)cc2n1 ZINC000019452362 207122401 /nfs/dbraw/zinc/12/24/01/207122401.db2.gz FRMGETYOFJAKSI-QGZVFWFLSA-N 1 2 389.425 4.604 40 0 GJABLO CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCC[N@H+]3Cc3ccccn3)cc2n1 ZINC000019452362 207122404 /nfs/dbraw/zinc/12/24/04/207122404.db2.gz FRMGETYOFJAKSI-QGZVFWFLSA-N 1 2 389.425 4.604 40 0 GJABLO O=C(NCc1ccccc1-n1cc[nH+]c1)/C(=C/c1ccccc1)c1ccccc1 ZINC000030864033 207376453 /nfs/dbraw/zinc/37/64/53/207376453.db2.gz ARVWEVPWEKZUFX-HAVVHWLPSA-N 1 2 379.463 4.729 40 0 GJABLO Cc1ccc(CSCCNC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)cc1 ZINC000219851299 136204474 /nfs/dbraw/zinc/20/44/74/136204474.db2.gz KMKPNWBGJFLSDQ-UHFFFAOYSA-N 1 2 382.573 4.569 40 0 GJABLO COc1ccc(-c2nc(NCCc3cccc(C)c3)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000057761976 222036441 /nfs/dbraw/zinc/03/64/41/222036441.db2.gz XIEDXFPPSXQZMU-UHFFFAOYSA-N 1 2 385.471 4.505 40 0 GJABLO Cc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(Nc2cccc(Cl)c2)[nH+]1 ZINC000329039145 570214178 /nfs/dbraw/zinc/21/41/78/570214178.db2.gz RWFQGHULLQCIDO-HNNXBMFYSA-N 1 2 394.906 4.798 40 0 GJABLO Cc1ccc(C(=O)Nc2nc([C@@H]3CCC[N@@H+]3Cc3ncccc3C)cs2)cc1 ZINC000585273527 570242001 /nfs/dbraw/zinc/24/20/01/570242001.db2.gz QJKVMHUDACWFAD-FQEVSTJZSA-N 1 2 392.528 4.744 40 0 GJABLO Cc1ccc(C(=O)Nc2nc([C@@H]3CCC[N@H+]3Cc3ncccc3C)cs2)cc1 ZINC000585273527 570242005 /nfs/dbraw/zinc/24/20/05/570242005.db2.gz QJKVMHUDACWFAD-FQEVSTJZSA-N 1 2 392.528 4.744 40 0 GJABLO O=S1(=O)C=C[C@@H]([N@H+](Cc2ccccc2)C(c2ccccc2)c2ccccc2)C1 ZINC000575421306 570307106 /nfs/dbraw/zinc/30/71/06/570307106.db2.gz OJOUMUZHPSGRAJ-HSZRJFAPSA-N 1 2 389.520 4.589 40 0 GJABLO O=S1(=O)C=C[C@@H]([N@@H+](Cc2ccccc2)C(c2ccccc2)c2ccccc2)C1 ZINC000575421306 570307109 /nfs/dbraw/zinc/30/71/09/570307109.db2.gz OJOUMUZHPSGRAJ-HSZRJFAPSA-N 1 2 389.520 4.589 40 0 GJABLO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(NC3CCCC3)[nH+]c2)cc1 ZINC000072213997 570314107 /nfs/dbraw/zinc/31/41/07/570314107.db2.gz DGERPXGFXKQWIZ-NRFANRHFSA-N 1 2 399.560 4.660 40 0 GJABLO COc1ccc2cc(S(=O)(=O)Nc3ccc([NH+]4CCCCC4)cc3)ccc2c1 ZINC000224979528 570541466 /nfs/dbraw/zinc/54/14/66/570541466.db2.gz IVKSLQIUKNBFFX-UHFFFAOYSA-N 1 2 396.512 4.640 40 0 GJABLO Cc1c(C[N@H+](Cc2cccs2)Cc2cccnc2)cnn1Cc1ccccc1 ZINC000013569770 570850610 /nfs/dbraw/zinc/85/06/10/570850610.db2.gz APARFKWADPKPGF-UHFFFAOYSA-N 1 2 388.540 4.899 40 0 GJABLO Cc1c(C[N@@H+](Cc2cccs2)Cc2cccnc2)cnn1Cc1ccccc1 ZINC000013569770 570850613 /nfs/dbraw/zinc/85/06/13/570850613.db2.gz APARFKWADPKPGF-UHFFFAOYSA-N 1 2 388.540 4.899 40 0 GJABLO CC(C)c1cccc2cc3c(nc21)OCC[N@H+](CCc1ccc2c(c1)OCO2)C3 ZINC000013563825 570852264 /nfs/dbraw/zinc/85/22/64/570852264.db2.gz RBHWLPAKDAJPJQ-UHFFFAOYSA-N 1 2 390.483 4.524 40 0 GJABLO CC(C)c1cccc2cc3c(nc21)OCC[N@@H+](CCc1ccc2c(c1)OCO2)C3 ZINC000013563825 570852267 /nfs/dbraw/zinc/85/22/67/570852267.db2.gz RBHWLPAKDAJPJQ-UHFFFAOYSA-N 1 2 390.483 4.524 40 0 GJABLO O[C@]1(c2ccc(Cl)cc2)C=C(C(F)(F)F)[NH2+]N1c1nc2ccccc2s1 ZINC000004322765 570972214 /nfs/dbraw/zinc/97/22/14/570972214.db2.gz MORYWVOBJVXRSB-INIZCTEOSA-N 1 2 397.809 4.923 40 0 GJABLO CCCn1nc(C)c(-c2c[nH+]cn2CC2(c3ccccc3)CCOCC2)c1C ZINC000019654549 571022691 /nfs/dbraw/zinc/02/26/91/571022691.db2.gz DCHULIFBXJYUAI-UHFFFAOYSA-N 1 2 378.520 4.522 40 0 GJABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(Cl)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329021269 212093756 /nfs/dbraw/zinc/09/37/56/212093756.db2.gz OFLUCAXSISLUBA-LJQANCHMSA-N 1 2 382.895 4.969 40 0 GJABLO CCc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(Nc2ccccc2)[nH+]1 ZINC000329005781 212092466 /nfs/dbraw/zinc/09/24/66/212092466.db2.gz KYUURGBBGQXXMI-UHFFFAOYSA-N 1 2 388.515 4.573 40 0 GJABLO Fc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)cc1F ZINC000328973129 212090586 /nfs/dbraw/zinc/09/05/86/212090586.db2.gz DYZFMETUMVIGSX-UHFFFAOYSA-N 1 2 380.442 4.754 40 0 GJABLO Cc1nc(Nc2ccccc2)cc(N2CCc3ccc(Br)cc3C2)[nH+]1 ZINC000328960539 212090450 /nfs/dbraw/zinc/09/04/50/212090450.db2.gz AYYJGOOGNDRLHQ-UHFFFAOYSA-N 1 2 395.304 4.854 40 0 GJABLO FC(F)(F)Sc1cccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)c1 ZINC000328990316 206239368 /nfs/dbraw/zinc/23/93/68/206239368.db2.gz INAXOUIRMFXXSW-UHFFFAOYSA-N 1 2 394.466 4.908 40 0 GJABLO Clc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c(Cl)c1 ZINC000328979996 206239998 /nfs/dbraw/zinc/23/99/98/206239998.db2.gz GKBHEYZOPREWLG-UHFFFAOYSA-N 1 2 377.319 4.993 40 0 GJABLO O=C(CN(c1ccc(Br)cc1)C1=[NH+]CCCC1)c1ccc(F)cc1 ZINC000008418599 206750961 /nfs/dbraw/zinc/75/09/61/206750961.db2.gz GZJWMRBSOVRVSM-UHFFFAOYSA-N 1 2 389.268 4.860 40 0 GJABLO Cc1cccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3CCCc3ccccc3)n2)c1 ZINC000015675612 221339251 /nfs/dbraw/zinc/33/92/51/221339251.db2.gz AJCDASYJQJDELA-QFIPXVFZSA-N 1 2 399.498 4.500 40 0 biogenic,in-vitro GJABLO C[C@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1cccc(Br)c1 ZINC000226254763 136192667 /nfs/dbraw/zinc/19/26/67/136192667.db2.gz HBYXBYLDMITOPQ-ZDUSSCGKSA-N 1 2 388.309 4.662 40 0 GJABLO C[C@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1cccc(Br)c1 ZINC000226254763 136192668 /nfs/dbraw/zinc/19/26/68/136192668.db2.gz HBYXBYLDMITOPQ-ZDUSSCGKSA-N 1 2 388.309 4.662 40 0 GJABLO CCCNC(=O)NC[C@@H]1C=C(C)[C@H](Cc2[nH]c3ccccc3[nH+]2)C[C@H]1C(C)C ZINC000072320800 560077285 /nfs/dbraw/zinc/07/72/85/560077285.db2.gz XJWYCQFFAMPTTA-FHWLQOOXSA-N 1 2 382.552 4.669 40 0 biogenic,in-vitro GJABLO Clc1cc(Cl)cc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000329039170 570214062 /nfs/dbraw/zinc/21/40/62/570214062.db2.gz RWTDBBNBPWGPMD-UHFFFAOYSA-N 1 2 377.319 4.993 40 0 GJABLO COc1ccc(-c2nc(Nc3cccc(C(F)(F)F)c3)cc(N)[nH+]2)cc1OC ZINC000049468178 570663492 /nfs/dbraw/zinc/66/34/92/570663492.db2.gz CWIJZCIYCZQOKW-UHFFFAOYSA-N 1 2 390.365 4.505 40 0 GJABLO COc1ccc(-c2nc(N)cc(Nc3cccc(C(F)(F)F)c3)[nH+]2)cc1OC ZINC000049468178 570663494 /nfs/dbraw/zinc/66/34/94/570663494.db2.gz CWIJZCIYCZQOKW-UHFFFAOYSA-N 1 2 390.365 4.505 40 0 GJABLO Cc1sc(NC(=O)c2ccccc2Cn2cc[nH+]c2)nc1-c1ccc(F)cc1 ZINC000019555611 571003004 /nfs/dbraw/zinc/00/30/04/571003004.db2.gz XFOBSADTMDBZNX-UHFFFAOYSA-N 1 2 392.459 4.755 40 0 GJABLO CNc1nc(Nc2ccc(Cl)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329037112 212093815 /nfs/dbraw/zinc/09/38/15/212093815.db2.gz RMEZFWWYBWMYAJ-UHFFFAOYSA-N 1 2 394.784 4.903 40 0 GJABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)cc1F ZINC000329015864 206241680 /nfs/dbraw/zinc/24/16/80/206241680.db2.gz NCVUWCAHUKGCCG-UHFFFAOYSA-N 1 2 376.479 4.923 40 0 GJABLO CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3Cc3ccncc3)cc2n1 ZINC000019452368 207121126 /nfs/dbraw/zinc/12/11/26/207121126.db2.gz LLPFYQPXMXWONH-KRWDZBQOSA-N 1 2 389.425 4.604 40 0 GJABLO CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@H+]3Cc3ccncc3)cc2n1 ZINC000019452368 207121130 /nfs/dbraw/zinc/12/11/30/207121130.db2.gz LLPFYQPXMXWONH-KRWDZBQOSA-N 1 2 389.425 4.604 40 0 GJABLO CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3Cc3ccccn3)cc2N1 ZINC000019451298 207122736 /nfs/dbraw/zinc/12/27/36/207122736.db2.gz PPQIESSCKGCQRH-CGTJXYLNSA-N 1 2 393.457 4.559 40 0 GJABLO CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCC[N@H+]3Cc3ccccn3)cc2N1 ZINC000019451298 207122739 /nfs/dbraw/zinc/12/27/39/207122739.db2.gz PPQIESSCKGCQRH-CGTJXYLNSA-N 1 2 393.457 4.559 40 0 GJABLO COc1cc(C[N@H+](C)Cc2nnc(-c3ccccc3)o2)ccc1OC1CCCC1 ZINC000019586416 207139960 /nfs/dbraw/zinc/13/99/60/207139960.db2.gz FTBWQFWSKVFSIR-UHFFFAOYSA-N 1 2 393.487 4.699 40 0 GJABLO COc1cc(C[N@@H+](C)Cc2nnc(-c3ccccc3)o2)ccc1OC1CCCC1 ZINC000019586416 207139966 /nfs/dbraw/zinc/13/99/66/207139966.db2.gz FTBWQFWSKVFSIR-UHFFFAOYSA-N 1 2 393.487 4.699 40 0 GJABLO Cc1ccc([NH+]2CCC(C(=O)N[C@@H]3CC(C)(C)Oc4ccc(C)cc43)CC2)cc1 ZINC000219864848 136204318 /nfs/dbraw/zinc/20/43/18/136204318.db2.gz TXJFEDJFDMWZQL-JOCHJYFZSA-N 1 2 392.543 4.938 40 0 GJABLO Cc1ccc([NH+]2CCC(C(=O)NCCCc3ccc(OC(C)C)cc3)CC2)cc1 ZINC000219862564 136204342 /nfs/dbraw/zinc/20/43/42/136204342.db2.gz HEQVVFRFVSQVDL-UHFFFAOYSA-N 1 2 394.559 4.748 40 0 GJABLO COc1ccccc1CNc1ncc(-c2[nH]cc[nH+]2)c(-c2ccc(Cl)cc2)n1 ZINC000057761922 222036045 /nfs/dbraw/zinc/03/60/45/222036045.db2.gz NRYFAJVBHAXILG-UHFFFAOYSA-N 1 2 391.862 4.808 40 0 GJABLO Fc1ccc(-c2nc(NCCc3ccccc3Cl)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000057761956 222036358 /nfs/dbraw/zinc/03/63/58/222036358.db2.gz DNJFYLVNXIBHKS-UHFFFAOYSA-N 1 2 393.853 4.981 40 0 GJABLO Cc1cccc(NC(=O)[C@@H]2c3c([nH+]cn3C(C)C)CCN2Cc2ccccc2)c1 ZINC000096037484 222373247 /nfs/dbraw/zinc/37/32/47/222373247.db2.gz QEEDIBBNUDDKNO-QHCPKHFHSA-N 1 2 388.515 4.511 40 0 GJABLO COc1ccc(C(=O)Nc2cc([NH+]3[C@H](C)CCC[C@H]3C)c(C)cc2N)cc1OC ZINC000226331431 536776106 /nfs/dbraw/zinc/77/61/06/536776106.db2.gz BZUARQQNBUEWMX-HZPDHXFCSA-N 1 2 397.519 4.614 40 0 GJABLO Cc1cccnc1C[N@@H+]1CCC[C@H]1c1csc(NC(=O)c2ccc(F)cc2)n1 ZINC000585274328 570243499 /nfs/dbraw/zinc/24/34/99/570243499.db2.gz VHGJKKLWSDLGLD-IBGZPJMESA-N 1 2 396.491 4.575 40 0 GJABLO Cc1cccnc1C[N@H+]1CCC[C@H]1c1csc(NC(=O)c2ccc(F)cc2)n1 ZINC000585274328 570243505 /nfs/dbraw/zinc/24/35/05/570243505.db2.gz VHGJKKLWSDLGLD-IBGZPJMESA-N 1 2 396.491 4.575 40 0 GJABLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc[nH+]c2NC2CCCCC2)cc1 ZINC000072214027 570314070 /nfs/dbraw/zinc/31/40/70/570314070.db2.gz NCZNHFICAFCKSI-OAQYLSRUSA-N 1 2 399.560 4.660 40 0 GJABLO O=C(OCc1ccccc1)N1CCC[C@@H]1c1ccc(N2CCCCCC2)[nH+]c1 ZINC000072216637 570317441 /nfs/dbraw/zinc/31/74/41/570317441.db2.gz IHIUMXLAPBUYKU-OAQYLSRUSA-N 1 2 379.504 4.936 40 0 GJABLO CC[C@H](C)Nc1nc(Nc2ccc(C(=O)OC)cc2)cc(-c2ccccc2)[nH+]1 ZINC000243843977 570457970 /nfs/dbraw/zinc/45/79/70/570457970.db2.gz RCKPHHCJGLPOSR-HNNXBMFYSA-N 1 2 376.460 4.884 40 0 GJABLO COc1cccc(NC(=S)N2CCC[C@@H](c3[nH]c4cc(C)c(C)cc4[nH+]3)C2)c1 ZINC000004858923 570639291 /nfs/dbraw/zinc/63/92/91/570639291.db2.gz BIEZOIHALFLSTB-MRXNPFEDSA-N 1 2 394.544 4.765 40 0 GJABLO Clc1ccc(CNc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000329065436 212094313 /nfs/dbraw/zinc/09/43/13/212094313.db2.gz XRNMTUBFYFQZDC-UHFFFAOYSA-N 1 2 378.907 4.607 40 0 GJABLO CC[C@@H](C)Nc1nc(Nc2cc(Cl)ccc2OC)cc(-c2ccccc2)[nH+]1 ZINC000329016847 212093414 /nfs/dbraw/zinc/09/34/14/212093414.db2.gz NITJNOGZARXGKX-CQSZACIVSA-N 1 2 382.895 4.603 40 0 GJABLO Cc1cc(Br)ccc1Nc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000329026215 212093141 /nfs/dbraw/zinc/09/31/41/212093141.db2.gz PKRRDWJBTCFVDR-UHFFFAOYSA-N 1 2 387.325 4.945 40 0 GJABLO CC[C@@H](C)Nc1nc(Nc2ccc3sc(C)nc3c2)cc(-c2ccccc2)[nH+]1 ZINC000328974931 212091210 /nfs/dbraw/zinc/09/12/10/212091210.db2.gz FICCDVIIOHDRQH-CQSZACIVSA-N 1 2 389.528 4.860 40 0 GJABLO CC[C@H](C)Nc1nc(Nc2ccc3sc(C)nc3c2)cc(-c2ccccc2)[nH+]1 ZINC000328974930 212090049 /nfs/dbraw/zinc/09/00/49/212090049.db2.gz FICCDVIIOHDRQH-AWEZNQCLSA-N 1 2 389.528 4.860 40 0 GJABLO Cc1nc(C)c(CC(=O)Nc2cccc(CCc3[nH]c4ccccc4[nH+]3)c2)s1 ZINC000019560544 207133796 /nfs/dbraw/zinc/13/37/96/207133796.db2.gz LYJXKSSVHXRXLW-UHFFFAOYSA-N 1 2 390.512 4.603 40 0 GJABLO Cc1nn(C[C@@H](C)c2cc(NCCc3ccccc3C)nc(C)[nH+]2)c(C)c1C ZINC000019717900 207153427 /nfs/dbraw/zinc/15/34/27/207153427.db2.gz GZPXVSZUJRSPJS-MRXNPFEDSA-N 1 2 377.536 4.674 40 0 GJABLO Cc1[nH+]cc(NC(=O)Cc2cccs2)n1-c1nc(-c2ccc(C)cc2)cs1 ZINC000032616177 207398811 /nfs/dbraw/zinc/39/88/11/207398811.db2.gz HMPRARHVZARJCD-UHFFFAOYSA-N 1 2 394.525 4.855 40 0 GJABLO COc1cccc(CNc2ncc(-c3[nH]cc[nH+]3)c(-c3ccc(Cl)cc3)n2)c1 ZINC000057761924 222035975 /nfs/dbraw/zinc/03/59/75/222035975.db2.gz HUGMJTNTEMDHCV-UHFFFAOYSA-N 1 2 391.862 4.808 40 0 GJABLO CC[C@@H](C)Nc1nc(Nc2cccc(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329068579 570216329 /nfs/dbraw/zinc/21/63/29/570216329.db2.gz YQPVTWVWXGQUFN-CQSZACIVSA-N 1 2 386.421 4.960 40 0 GJABLO O=C(Nc1ccc(F)cc1)N1CCC2(CCn3c(-c4ccccc4)c[nH+]c32)CC1 ZINC000096243528 570223293 /nfs/dbraw/zinc/22/32/93/570223293.db2.gz PBZSTXMWMIZFLJ-UHFFFAOYSA-N 1 2 390.462 4.659 40 0 GJABLO Cc1cccnc1C[N@@H+]1CCC[C@@H]1c1csc(NC(=O)c2ccc(F)cc2)n1 ZINC000585274340 570243528 /nfs/dbraw/zinc/24/35/28/570243528.db2.gz VHGJKKLWSDLGLD-LJQANCHMSA-N 1 2 396.491 4.575 40 0 GJABLO Cc1cccnc1C[N@H+]1CCC[C@@H]1c1csc(NC(=O)c2ccc(F)cc2)n1 ZINC000585274340 570243531 /nfs/dbraw/zinc/24/35/31/570243531.db2.gz VHGJKKLWSDLGLD-LJQANCHMSA-N 1 2 396.491 4.575 40 0 GJABLO CCCCNc1[nH+]cccc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072213636 570314039 /nfs/dbraw/zinc/31/40/39/570314039.db2.gz SOBVUUVEHCNQTJ-FQEVSTJZSA-N 1 2 387.549 4.518 40 0 GJABLO CC[C@@H](C)Nc1[nH+]cccc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072213461 570314077 /nfs/dbraw/zinc/31/40/77/570314077.db2.gz HFMCMJUZHMBYDZ-XLIONFOSSA-N 1 2 387.549 4.516 40 0 GJABLO CC[C@H](C)Nc1[nH+]cccc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072213462 570314082 /nfs/dbraw/zinc/31/40/82/570314082.db2.gz HFMCMJUZHMBYDZ-PXNSSMCTSA-N 1 2 387.549 4.516 40 0 GJABLO CC[C@H](C)Nc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072213574 570314301 /nfs/dbraw/zinc/31/43/01/570314301.db2.gz NQDYRELIMKYKSL-PXNSSMCTSA-N 1 2 387.549 4.516 40 0 GJABLO CCOc1ccccc1NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000004966409 570420060 /nfs/dbraw/zinc/42/00/60/570420060.db2.gz YFOJJYLXMBCGTE-UHFFFAOYSA-N 1 2 395.528 4.513 40 0 GJABLO Cc1ccc2c(c1)[nH+]cn2C1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000035315873 570469789 /nfs/dbraw/zinc/46/97/89/570469789.db2.gz QSRIVOPKAHPUAC-UHFFFAOYSA-N 1 2 392.547 4.660 40 0 GJABLO Cc1cccc([C@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c2ccccc2)c1 ZINC000044856111 570636432 /nfs/dbraw/zinc/63/64/32/570636432.db2.gz AEHPOJRZJFZTRI-XMMPIXPASA-N 1 2 381.479 4.759 40 0 GJABLO Cc1ncc(C[N@@H+]2CCO[C@@H](c3cccc(Cc4cccc(Cl)c4)n3)C2)s1 ZINC000257255211 570771019 /nfs/dbraw/zinc/77/10/19/570771019.db2.gz KGOCWIRHPYRWEC-OAQYLSRUSA-N 1 2 399.947 4.664 40 0 GJABLO Cc1ncc(C[N@H+]2CCO[C@@H](c3cccc(Cc4cccc(Cl)c4)n3)C2)s1 ZINC000257255211 570771020 /nfs/dbraw/zinc/77/10/20/570771020.db2.gz KGOCWIRHPYRWEC-OAQYLSRUSA-N 1 2 399.947 4.664 40 0 GJABLO COc1cc2c(cc1OC)[C@H](c1ccccc1F)[N@H+](Cc1ccncc1C)CC2 ZINC000019239532 570968821 /nfs/dbraw/zinc/96/88/21/570968821.db2.gz JGHNATADMHVGPY-DEOSSOPVSA-N 1 2 392.474 4.694 40 0 GJABLO COc1cc2c(cc1OC)[C@H](c1ccccc1F)[N@@H+](Cc1ccncc1C)CC2 ZINC000019239532 570968823 /nfs/dbraw/zinc/96/88/23/570968823.db2.gz JGHNATADMHVGPY-DEOSSOPVSA-N 1 2 392.474 4.694 40 0 GJABLO CC[C@H](C)Nc1nc(Nc2ccc(Br)c(C)c2)cc(C2CC2)[nH+]1 ZINC000328958915 571047207 /nfs/dbraw/zinc/04/72/07/571047207.db2.gz AQNNHBXOGUIQCY-LBPRGKRZSA-N 1 2 375.314 4.801 40 0 GJABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)C)n2)cc1C(F)(F)F ZINC000329005806 212092226 /nfs/dbraw/zinc/09/22/26/212092226.db2.gz KZAVNYJLIOPYMY-UHFFFAOYSA-N 1 2 386.421 4.879 40 0 GJABLO FC(F)(F)c1ccccc1Nc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000329049009 212094962 /nfs/dbraw/zinc/09/49/62/212094962.db2.gz ULNVIZSMYFOONF-UHFFFAOYSA-N 1 2 376.426 4.705 40 0 GJABLO Cc1ccc(C(=O)c2cn(CC[NH+]3CCOCC3)c3ccccc23)c2ccccc12 ZINC000013476548 221269401 /nfs/dbraw/zinc/26/94/01/221269401.db2.gz ICKWPPYMDARCKJ-UHFFFAOYSA-N 1 2 398.506 4.666 40 0 in-vitro GJABLO COc1ccc2nc(Cl)c(C[NH2+]Cc3ccco3)c(N3CCCCC3)c2c1 ZINC000013566219 136201143 /nfs/dbraw/zinc/20/11/43/136201143.db2.gz JZMDZMKLBVQZKW-UHFFFAOYSA-N 1 2 385.895 4.770 40 0 GJABLO Cc1ccc([NH+]2CCC(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)CC2)cc1 ZINC000219862844 136204386 /nfs/dbraw/zinc/20/43/86/136204386.db2.gz MPPZQEISMBKXRU-OAQYLSRUSA-N 1 2 378.516 4.630 40 0 GJABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)C(C)(C)C)cc3n2)c(C)c1 ZINC000020611072 570280620 /nfs/dbraw/zinc/28/06/20/570280620.db2.gz JFBMVBLRYPIFEU-UHFFFAOYSA-N 1 2 393.535 4.868 40 0 GJABLO CC[N@H+](Cc1ccccc1)[C@H](c1cccs1)c1nnnn1C1CCCCC1 ZINC000057613827 570365468 /nfs/dbraw/zinc/36/54/68/570365468.db2.gz QLPCICJMQRAXDA-HXUWFJFHSA-N 1 2 381.549 4.851 40 0 GJABLO CC[N@@H+](Cc1ccccc1)[C@H](c1cccs1)c1nnnn1C1CCCCC1 ZINC000057613827 570365470 /nfs/dbraw/zinc/36/54/70/570365470.db2.gz QLPCICJMQRAXDA-HXUWFJFHSA-N 1 2 381.549 4.851 40 0 GJABLO O=S(=O)(Cc1ccc(Cl)c(Cl)c1)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000224959618 570539960 /nfs/dbraw/zinc/53/99/60/570539960.db2.gz KGAXDAQNDQLINS-UHFFFAOYSA-N 1 2 399.343 4.926 40 0 GJABLO CCC(C)(C)n1nnnc1[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000004968272 570654561 /nfs/dbraw/zinc/65/45/61/570654561.db2.gz BEXJYLKRNFENCW-WMLDXEAASA-N 1 2 395.473 4.658 40 0 GJABLO CCC(C)(C)n1nnnc1[C@@H](c1cccc(C(F)(F)F)c1)[N@H+]1CCC[C@H](C)C1 ZINC000004968272 570654563 /nfs/dbraw/zinc/65/45/63/570654563.db2.gz BEXJYLKRNFENCW-WMLDXEAASA-N 1 2 395.473 4.658 40 0 GJABLO Cc1ccc(NC(=O)C[NH+]2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1C ZINC000005626008 570665411 /nfs/dbraw/zinc/66/54/11/570665411.db2.gz NZQQNRDOFZECFH-UHFFFAOYSA-N 1 2 396.922 4.651 40 0 GJABLO CCOc1ccc(OCC)c2nc3c(cc12)C[N@H+](Cc1ccccc1)C[C@@H](C)O3 ZINC000013563861 570852352 /nfs/dbraw/zinc/85/23/52/570852352.db2.gz MXPFBBABWGJFSD-QGZVFWFLSA-N 1 2 392.499 4.815 40 0 GJABLO CCOc1ccc(OCC)c2nc3c(cc12)C[N@@H+](Cc1ccccc1)C[C@@H](C)O3 ZINC000013563861 570852355 /nfs/dbraw/zinc/85/23/55/570852355.db2.gz MXPFBBABWGJFSD-QGZVFWFLSA-N 1 2 392.499 4.815 40 0 GJABLO CCn1cc(C[N@@H+]2CCC[C@@H]2c2ncn3cc(-c4cccs4)ccc23)cn1 ZINC000306141914 570945763 /nfs/dbraw/zinc/94/57/63/570945763.db2.gz WJZGBTIRPWPVJG-GOSISDBHSA-N 1 2 377.517 4.616 40 0 GJABLO CCn1cc(C[N@H+]2CCC[C@@H]2c2ncn3cc(-c4cccs4)ccc23)cn1 ZINC000306141914 570945764 /nfs/dbraw/zinc/94/57/64/570945764.db2.gz WJZGBTIRPWPVJG-GOSISDBHSA-N 1 2 377.517 4.616 40 0 GJABLO O[C@@]1(c2ccc(Cl)cc2)C=C(C(F)(F)F)[NH2+]N1c1nc2ccccc2s1 ZINC000004322763 570972401 /nfs/dbraw/zinc/97/24/01/570972401.db2.gz MORYWVOBJVXRSB-MRXNPFEDSA-N 1 2 397.809 4.923 40 0 GJABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](CO)C(C)C)n2)ccc1F ZINC000329013055 212093399 /nfs/dbraw/zinc/09/33/99/212093399.db2.gz MNEIFDOJOUTSDY-FQEVSTJZSA-N 1 2 380.467 4.764 40 0 GJABLO CC[C@H](C)Nc1nc(Nc2cccc(Br)c2)cc(-c2ccccc2)[nH+]1 ZINC000329067199 212095142 /nfs/dbraw/zinc/09/51/42/212095142.db2.gz YGBQWWUBYADBIR-AWEZNQCLSA-N 1 2 397.320 4.704 40 0 GJABLO CC[C@H](C)Nc1nc(Nc2ccc(OC(F)(F)F)cc2C)cc(C2CC2)[nH+]1 ZINC000328959949 212090603 /nfs/dbraw/zinc/09/06/03/212090603.db2.gz AVRFZBJNTHHIMH-LBPRGKRZSA-N 1 2 380.414 4.937 40 0 GJABLO Cc1csc2c([C@H]3CCN(C(=O)c4[nH]c5ccc(F)cc5c4C)C3)[nH+]c(C)n12 ZINC000019240499 207111040 /nfs/dbraw/zinc/11/10/40/207111040.db2.gz QAGHMPMYMNUUGU-AWEZNQCLSA-N 1 2 396.491 4.571 40 0 GJABLO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2nnc(-c3ccsc3)o2)c1OC ZINC000019567895 207135582 /nfs/dbraw/zinc/13/55/82/207135582.db2.gz BKMNOVUTMMDIQP-MRXNPFEDSA-N 1 2 385.489 4.543 40 0 GJABLO COc1cccc(C[N@H+]2CCCC[C@@H]2c2nnc(-c3ccsc3)o2)c1OC ZINC000019567895 207135586 /nfs/dbraw/zinc/13/55/86/207135586.db2.gz BKMNOVUTMMDIQP-MRXNPFEDSA-N 1 2 385.489 4.543 40 0 GJABLO c1csc(Nc2nccc([C@@H]3CCCC[N@H+]3Cc3ccc4[nH]ccc4c3)n2)n1 ZINC000072378114 208010098 /nfs/dbraw/zinc/01/00/98/208010098.db2.gz WARVKXIIVPOFBB-IBGZPJMESA-N 1 2 390.516 4.885 40 0 GJABLO c1csc(Nc2nccc([C@@H]3CCCC[N@@H+]3Cc3ccc4[nH]ccc4c3)n2)n1 ZINC000072378114 208010104 /nfs/dbraw/zinc/01/01/04/208010104.db2.gz WARVKXIIVPOFBB-IBGZPJMESA-N 1 2 390.516 4.885 40 0 GJABLO c1coc(-c2cnc(NCc3ccccc3-n3cc[nH+]c3)nc2-c2ccco2)c1 ZINC000072396574 208014798 /nfs/dbraw/zinc/01/47/98/208014798.db2.gz QOXTVKREIMZFAJ-UHFFFAOYSA-N 1 2 383.411 4.794 40 0 GJABLO CC1CC[NH+](c2ccc(N)cc2NC(=O)c2ccccc2Br)CC1 ZINC000226254694 136192533 /nfs/dbraw/zinc/19/25/33/136192533.db2.gz KKDMNNHBMOCWKZ-UHFFFAOYSA-N 1 2 388.309 4.520 40 0 GJABLO Cc1cc(N)c(NC(=O)c2cccc(Br)c2)cc1[NH+]1CCCCC1 ZINC000226330266 136192634 /nfs/dbraw/zinc/19/26/34/136192634.db2.gz DSPHDNFUYVIGRY-UHFFFAOYSA-N 1 2 388.309 4.582 40 0 GJABLO c1csc(Nc2nccc([C@H]3CCC[N@H+]3Cc3ccc4ncccc4c3)n2)n1 ZINC000072377992 222245530 /nfs/dbraw/zinc/24/55/30/222245530.db2.gz WSLSDQOKRVXBIT-LJQANCHMSA-N 1 2 388.500 4.562 40 0 GJABLO c1csc(Nc2nccc([C@H]3CCC[N@@H+]3Cc3ccc4ncccc4c3)n2)n1 ZINC000072377992 222245534 /nfs/dbraw/zinc/24/55/34/222245534.db2.gz WSLSDQOKRVXBIT-LJQANCHMSA-N 1 2 388.500 4.562 40 0 GJABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1C(C)(C)C)c1ccc(Cl)cc1 ZINC000057613822 570365527 /nfs/dbraw/zinc/36/55/27/570365527.db2.gz LLZBBUSYDDCIHI-LJQANCHMSA-N 1 2 383.927 4.693 40 0 GJABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1C(C)(C)C)c1ccc(Cl)cc1 ZINC000057613822 570365530 /nfs/dbraw/zinc/36/55/30/570365530.db2.gz LLZBBUSYDDCIHI-LJQANCHMSA-N 1 2 383.927 4.693 40 0 GJABLO COc1ccc([C@@H]2CC(c3sc(Nc4ccc(C)cc4)nc3C)=[NH+]N2)cc1 ZINC000005553258 570445985 /nfs/dbraw/zinc/44/59/85/570445985.db2.gz MMEVDWJRTLDSAD-SFHVURJKSA-N 1 2 378.501 4.951 40 0 GJABLO CCC1(CC)C[C@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c2ccccc2O1 ZINC000225275547 570561105 /nfs/dbraw/zinc/56/11/05/570561105.db2.gz UEOHTGDXMITCQT-NRFANRHFSA-N 1 2 389.499 4.744 40 0 GJABLO Cc1ccccc1[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000044937746 570644269 /nfs/dbraw/zinc/64/42/69/570644269.db2.gz ZDUIOJDFDAFESW-DEOSSOPVSA-N 1 2 381.479 4.759 40 0 GJABLO Cc1[nH+]c2cc(NC(=O)CCc3nc(C(C)C)no3)ccc2n1C1CCCCC1 ZINC000019664093 571027001 /nfs/dbraw/zinc/02/70/01/571027001.db2.gz MBWFWMCNUMOJRS-UHFFFAOYSA-N 1 2 395.507 4.928 40 0 GJABLO FC(F)(F)c1cccc(Cl)c1Nc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000329028002 212094022 /nfs/dbraw/zinc/09/40/22/212094022.db2.gz PTRCAJBCZKHEGG-UHFFFAOYSA-N 1 2 396.844 4.968 40 0 GJABLO CCNc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2ccccc2)[nH+]1 ZINC000329014750 212093123 /nfs/dbraw/zinc/09/31/23/212093123.db2.gz MXKBLJNYNHSITR-UHFFFAOYSA-N 1 2 392.812 4.835 40 0 GJABLO Cc1ccc(C(F)(F)F)cc1Nc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000328976772 212091124 /nfs/dbraw/zinc/09/11/24/212091124.db2.gz FPQHYUOJBUNCLB-UHFFFAOYSA-N 1 2 376.426 4.623 40 0 GJABLO CC[C@H](C)Nc1nc(Nc2ccc(Br)cc2C)cc(C2CC2)[nH+]1 ZINC000328995922 206238846 /nfs/dbraw/zinc/23/88/46/206238846.db2.gz JJJVVPNAKMOQIM-LBPRGKRZSA-N 1 2 375.314 4.801 40 0 GJABLO COCc1c(C)onc1C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C1CCCCC1 ZINC000019666798 207146817 /nfs/dbraw/zinc/14/68/17/207146817.db2.gz ZTAIXHHSKFCDNI-UHFFFAOYSA-N 1 2 382.464 4.545 40 0 GJABLO CC1CC[NH+](c2ccc(N)cc2NC(=O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000226253127 136192493 /nfs/dbraw/zinc/19/24/93/136192493.db2.gz ZXYRPJZFCUBOCM-UHFFFAOYSA-N 1 2 395.547 4.820 40 0 GJABLO CC(C)(C)c1ccc(OCC(=O)Nc2cc(N)ccc2[NH+]2CCCCC2)cc1 ZINC000226253116 136192624 /nfs/dbraw/zinc/19/26/24/136192624.db2.gz AAZLBDAGJGSBOD-UHFFFAOYSA-N 1 2 381.520 4.574 40 0 GJABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](CO)C(C)C)n2)cc1Cl ZINC000329068574 570216481 /nfs/dbraw/zinc/21/64/81/570216481.db2.gz YQOHGWSXGBJGCB-FQEVSTJZSA-N 1 2 396.922 4.700 40 0 GJABLO CC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c1 ZINC000225580293 570590969 /nfs/dbraw/zinc/59/09/69/570590969.db2.gz MZYDFHQSDAMTID-UHFFFAOYSA-N 1 2 388.870 4.532 40 0 GJABLO CC1CC[NH+](CC(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCCC3)CC1 ZINC000004847601 570633884 /nfs/dbraw/zinc/63/38/84/570633884.db2.gz FUVWZLBQTSUCLF-UHFFFAOYSA-N 1 2 396.556 4.528 40 0 GJABLO O=C(CCn1cc[nH+]c1-c1ccccc1)NC1(c2ccc(F)cc2)CCCC1 ZINC000004908371 570647938 /nfs/dbraw/zinc/64/79/38/570647938.db2.gz RRAZBNWLMPDPDB-UHFFFAOYSA-N 1 2 377.463 4.665 40 0 GJABLO CCC(C)(C)n1nnnc1[C@H](c1cccc(C(F)(F)F)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000004968273 570654514 /nfs/dbraw/zinc/65/45/14/570654514.db2.gz BEXJYLKRNFENCW-YOEHRIQHSA-N 1 2 395.473 4.658 40 0 GJABLO CCC(C)(C)n1nnnc1[C@H](c1cccc(C(F)(F)F)c1)[N@H+]1CCC[C@H](C)C1 ZINC000004968273 570654515 /nfs/dbraw/zinc/65/45/15/570654515.db2.gz BEXJYLKRNFENCW-YOEHRIQHSA-N 1 2 395.473 4.658 40 0 GJABLO Fc1ccc(-n2cc(C[N@H+](Cc3cccs3)Cc3cccnc3)cn2)cc1 ZINC000057796993 570703903 /nfs/dbraw/zinc/70/39/03/570703903.db2.gz VKQMOPAIELNPNM-UHFFFAOYSA-N 1 2 378.476 4.670 40 0 GJABLO Fc1ccc(-n2cc(C[N@@H+](Cc3cccs3)Cc3cccnc3)cn2)cc1 ZINC000057796993 570703907 /nfs/dbraw/zinc/70/39/07/570703907.db2.gz VKQMOPAIELNPNM-UHFFFAOYSA-N 1 2 378.476 4.670 40 0 GJABLO CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3Cc3ccccn3)cc2n1 ZINC000019452360 570985671 /nfs/dbraw/zinc/98/56/71/570985671.db2.gz FRMGETYOFJAKSI-KRWDZBQOSA-N 1 2 389.425 4.604 40 0 GJABLO CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@H+]3Cc3ccccn3)cc2n1 ZINC000019452360 570985677 /nfs/dbraw/zinc/98/56/77/570985677.db2.gz FRMGETYOFJAKSI-KRWDZBQOSA-N 1 2 389.425 4.604 40 0 GJABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](CO)C(C)C)n2)ccc1F ZINC000329013056 212094166 /nfs/dbraw/zinc/09/41/66/212094166.db2.gz MNEIFDOJOUTSDY-HXUWFJFHSA-N 1 2 380.467 4.764 40 0 GJABLO CCc1[nH+]c2cc(NC(=O)c3sc(-c4ccccn4)nc3C)ccc2n1CC ZINC000019523216 207128380 /nfs/dbraw/zinc/12/83/80/207128380.db2.gz MUSRNWCLFLRONR-UHFFFAOYSA-N 1 2 391.500 4.698 40 0 GJABLO CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3Cc3cccnc3)cc2n1 ZINC000019452364 207122113 /nfs/dbraw/zinc/12/21/13/207122113.db2.gz RYPDCGZMGCGPHG-KRWDZBQOSA-N 1 2 389.425 4.604 40 0 GJABLO CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@H+]3Cc3cccnc3)cc2n1 ZINC000019452364 207122117 /nfs/dbraw/zinc/12/21/17/207122117.db2.gz RYPDCGZMGCGPHG-KRWDZBQOSA-N 1 2 389.425 4.604 40 0 GJABLO Cc1cc(NC(=O)c2ccn(-c3ccc4ccc(-c5ccccc5)cn43)n2)cc[nH+]1 ZINC000096155331 208277959 /nfs/dbraw/zinc/27/79/59/208277959.db2.gz NZRBULAQFPUQTQ-UHFFFAOYSA-N 1 2 393.450 4.748 40 0 GJABLO C[C@@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1ccccc1Br ZINC000226254725 136192641 /nfs/dbraw/zinc/19/26/41/136192641.db2.gz DOHOYZPBAWFESD-CYBMUJFWSA-N 1 2 388.309 4.662 40 0 GJABLO C[C@@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1ccccc1Br ZINC000226254725 136192642 /nfs/dbraw/zinc/19/26/42/136192642.db2.gz DOHOYZPBAWFESD-CYBMUJFWSA-N 1 2 388.309 4.662 40 0 GJABLO CCCNC(=O)NC[C@@H]1C=C(C)[C@H](Cc2[nH]c3c(cccc3C)[nH+]2)C[C@H]1C(C)C ZINC000072320969 560076979 /nfs/dbraw/zinc/07/69/79/560076979.db2.gz AFJXSLYBUVLNIE-UFYCRDLUSA-N 1 2 396.579 4.978 40 0 biogenic,in-vitro GJABLO CCCNC(=O)NC[C@@H]1C=C(C)[C@H](Cc2[nH]c3cccc(C)c3[nH+]2)C[C@H]1C(C)C ZINC000072320969 560076981 /nfs/dbraw/zinc/07/69/81/560076981.db2.gz AFJXSLYBUVLNIE-UFYCRDLUSA-N 1 2 396.579 4.978 40 0 biogenic,in-vitro GJABLO Cc1ccc2[nH+]cc(-c3cccc([C@H]4CCCN(C(=O)c5ccccc5)C4)n3)n2c1 ZINC000585262801 570231263 /nfs/dbraw/zinc/23/12/63/570231263.db2.gz HKTIVKHNBQTNKY-FQEVSTJZSA-N 1 2 396.494 4.725 40 0 GJABLO CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020455580 570259174 /nfs/dbraw/zinc/25/91/74/570259174.db2.gz AEHURZKGHRMWIX-IBGZPJMESA-N 1 2 385.920 4.713 40 0 GJABLO Cc1cc([C@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]c1N1CCCCC1 ZINC000072219156 570318331 /nfs/dbraw/zinc/31/83/31/570318331.db2.gz VRVUQVMYGZYTPL-OAQYLSRUSA-N 1 2 379.504 4.854 40 0 GJABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1C1CCCC1)c1ccc(C)cc1 ZINC000057613812 570365624 /nfs/dbraw/zinc/36/56/24/570365624.db2.gz BIQVNYZTLWYFMB-JOCHJYFZSA-N 1 2 375.520 4.708 40 0 GJABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1C1CCCC1)c1ccc(C)cc1 ZINC000057613812 570365625 /nfs/dbraw/zinc/36/56/25/570365625.db2.gz BIQVNYZTLWYFMB-JOCHJYFZSA-N 1 2 375.520 4.708 40 0 GJABLO Clc1ccc(-c2nc(NCCc3ccccc3)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000057761929 570372425 /nfs/dbraw/zinc/37/24/25/570372425.db2.gz ADQDBVFOZZIQCT-UHFFFAOYSA-N 1 2 375.863 4.842 40 0 GJABLO O=C(Nc1ccccc1Oc1ccccc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000030758732 570495713 /nfs/dbraw/zinc/49/57/13/570495713.db2.gz WYJLLBWJDPABSB-UHFFFAOYSA-N 1 2 388.467 4.563 40 0 GJABLO CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000030872135 570500331 /nfs/dbraw/zinc/50/03/31/570500331.db2.gz BDGLBRMCLHYCTJ-LJQANCHMSA-N 1 2 385.920 4.713 40 0 GJABLO O=C(Nc1ccc2c(c1)oc1ccccc12)c1cccc(C[NH+]2CCOCC2)c1 ZINC000224345020 570510224 /nfs/dbraw/zinc/51/02/24/570510224.db2.gz MMXZFGLMFVXLJU-UHFFFAOYSA-N 1 2 386.451 4.671 40 0 GJABLO O=S(=O)(Cc1ccc(Cl)cc1Cl)Nc1ccc([NH+]2CCCCC2)cc1 ZINC000224959567 570540053 /nfs/dbraw/zinc/54/00/53/570540053.db2.gz FVSQBANXKJPLCQ-UHFFFAOYSA-N 1 2 399.343 4.926 40 0 GJABLO CC[N@H+](CCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000224992902 570542279 /nfs/dbraw/zinc/54/22/79/570542279.db2.gz ZWLOJKJXTBCDAM-UHFFFAOYSA-N 1 2 388.939 4.839 40 0 GJABLO CC[N@@H+](CCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000224992902 570542282 /nfs/dbraw/zinc/54/22/82/570542282.db2.gz ZWLOJKJXTBCDAM-UHFFFAOYSA-N 1 2 388.939 4.839 40 0 GJABLO CCC(C)(C)n1nnnc1[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(C)CC1 ZINC000004968277 570654609 /nfs/dbraw/zinc/65/46/09/570654609.db2.gz ZKPSGLKOQQXDIO-QGZVFWFLSA-N 1 2 395.473 4.658 40 0 GJABLO CC(C)c1nc(N2CCc3cc([C@H](C)O)ccc3C2)cc(Nc2ccccc2)[nH+]1 ZINC000328972198 212090839 /nfs/dbraw/zinc/09/08/39/212090839.db2.gz DVKBSIMRECSQHW-KRWDZBQOSA-N 1 2 388.515 4.960 40 0 GJABLO CC(C)c1nc(Nc2ccccc2)cc(N2CCc3cc([C@H](C)O)ccc3C2)[nH+]1 ZINC000328972198 212090841 /nfs/dbraw/zinc/09/08/41/212090841.db2.gz DVKBSIMRECSQHW-KRWDZBQOSA-N 1 2 388.515 4.960 40 0 GJABLO Fc1cc(F)cc(CNc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000329037603 206242097 /nfs/dbraw/zinc/24/20/97/206242097.db2.gz RPHXIRXTDGQGQU-UHFFFAOYSA-N 1 2 394.469 4.622 40 0 GJABLO CC[NH+](CC)c1ccc(N)cc1NC(=O)c1cc(Cl)cc(Cl)c1OC ZINC000226261412 206258201 /nfs/dbraw/zinc/25/82/01/206258201.db2.gz VSECZUZLHLIOPT-UHFFFAOYSA-N 1 2 382.291 4.683 40 0 GJABLO Cc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3Cc3cccc(F)c3)cc2n1 ZINC000019116903 221396513 /nfs/dbraw/zinc/39/65/13/221396513.db2.gz BCEWEITXORPYAQ-INIZCTEOSA-N 1 2 378.373 4.533 40 0 GJABLO Cc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@H+]3Cc3cccc(F)c3)cc2n1 ZINC000019116903 221396514 /nfs/dbraw/zinc/39/65/14/221396514.db2.gz BCEWEITXORPYAQ-INIZCTEOSA-N 1 2 378.373 4.533 40 0 GJABLO Cc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3Cc3cccc(F)c3)cc2n1 ZINC000019116906 221396712 /nfs/dbraw/zinc/39/67/12/221396712.db2.gz BCEWEITXORPYAQ-MRXNPFEDSA-N 1 2 378.373 4.533 40 0 GJABLO Cc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@H+]3Cc3cccc(F)c3)cc2n1 ZINC000019116906 221396714 /nfs/dbraw/zinc/39/67/14/221396714.db2.gz BCEWEITXORPYAQ-MRXNPFEDSA-N 1 2 378.373 4.533 40 0 GJABLO C[C@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000226253104 136192568 /nfs/dbraw/zinc/19/25/68/136192568.db2.gz GZISLDFUROHAAU-KRWDZBQOSA-N 1 2 395.547 4.963 40 0 GJABLO C[C@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000226253104 136192569 /nfs/dbraw/zinc/19/25/69/136192569.db2.gz GZISLDFUROHAAU-KRWDZBQOSA-N 1 2 395.547 4.963 40 0 GJABLO COc1ccc(C(=O)Nc2cc([N@H+]3[C@H](C)CCC[C@@H]3C)c(C)cc2N)cc1OC ZINC000226331427 536775960 /nfs/dbraw/zinc/77/59/60/536775960.db2.gz BZUARQQNBUEWMX-IYBDPMFKSA-N 1 2 397.519 4.614 40 0 GJABLO COc1ccc(C(=O)Nc2cc([N@@H+]3[C@H](C)CCC[C@@H]3C)c(C)cc2N)cc1OC ZINC000226331427 536775966 /nfs/dbraw/zinc/77/59/66/536775966.db2.gz BZUARQQNBUEWMX-IYBDPMFKSA-N 1 2 397.519 4.614 40 0 GJABLO O=C1Nc2nc(cs2)[C@@H]2CCC[N@@H+]2Cc2cccc(c2)OCc2cccc1c2 ZINC000585281641 570248148 /nfs/dbraw/zinc/24/81/48/570248148.db2.gz NSMOIMIZVNNWJO-FQEVSTJZSA-N 1 2 391.496 4.625 40 0 GJABLO O=C1Nc2nc(cs2)[C@@H]2CCC[N@H+]2Cc2cccc(c2)OCc2cccc1c2 ZINC000585281641 570248150 /nfs/dbraw/zinc/24/81/50/570248150.db2.gz NSMOIMIZVNNWJO-FQEVSTJZSA-N 1 2 391.496 4.625 40 0 GJABLO CCCCNc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072213696 570314149 /nfs/dbraw/zinc/31/41/49/570314149.db2.gz MAJGLNNNKUWWMP-FQEVSTJZSA-N 1 2 387.549 4.518 40 0 GJABLO COc1ccccc1NC(=S)N1CCC[C@H](c2[nH]c3cc(C)c(C)cc3[nH+]2)C1 ZINC000004858922 570639368 /nfs/dbraw/zinc/63/93/68/570639368.db2.gz IUBMKWMBOCTLMD-INIZCTEOSA-N 1 2 394.544 4.765 40 0 GJABLO CCc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3[C@H](C)c3ccncc3)cc2n1 ZINC000257302340 570904945 /nfs/dbraw/zinc/90/49/45/570904945.db2.gz SCNVTXUZJBSCEH-DYVFJYSZSA-N 1 2 389.425 4.604 40 0 GJABLO CCc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@H+]3[C@H](C)c3ccncc3)cc2n1 ZINC000257302340 570904947 /nfs/dbraw/zinc/90/49/47/570904947.db2.gz SCNVTXUZJBSCEH-DYVFJYSZSA-N 1 2 389.425 4.604 40 0 GJABLO C[C@H](O)c1ccc2c(c1)CCN(c1cc(Nc3ccccc3)[nH+]c(C3CC3)n1)C2 ZINC000329058274 206243041 /nfs/dbraw/zinc/24/30/41/206243041.db2.gz WBMUDYZSPAAZAR-INIZCTEOSA-N 1 2 386.499 4.714 40 0 GJABLO C[C@H](O)c1ccc2c(c1)CCN(c1cc(Nc3ccccc3)nc(C3CC3)[nH+]1)C2 ZINC000329058274 206243045 /nfs/dbraw/zinc/24/30/45/206243045.db2.gz WBMUDYZSPAAZAR-INIZCTEOSA-N 1 2 386.499 4.714 40 0 GJABLO COc1cc2c(cc1OC)[C@@H](c1ccccc1F)[N@H+](Cc1ccncc1C)CC2 ZINC000019239533 207110640 /nfs/dbraw/zinc/11/06/40/207110640.db2.gz JGHNATADMHVGPY-XMMPIXPASA-N 1 2 392.474 4.694 40 0 GJABLO COc1cc2c(cc1OC)[C@@H](c1ccccc1F)[N@@H+](Cc1ccncc1C)CC2 ZINC000019239533 207110645 /nfs/dbraw/zinc/11/06/45/207110645.db2.gz JGHNATADMHVGPY-XMMPIXPASA-N 1 2 392.474 4.694 40 0 GJABLO Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc2c(c1)[nH+]c(C(C)C)n2C ZINC000019561113 207134962 /nfs/dbraw/zinc/13/49/62/207134962.db2.gz MBQXPLUJFPZBAY-UHFFFAOYSA-N 1 2 391.500 4.776 40 0 GJABLO Cc1ccc([NH+]2CCC(C(=O)NCCSCc3ccccc3C)CC2)cc1 ZINC000219854284 136204363 /nfs/dbraw/zinc/20/43/63/136204363.db2.gz XWRBVWFOPYRVEG-UHFFFAOYSA-N 1 2 382.573 4.569 40 0 GJABLO COc1cc(NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)c(OC)cc1Cl ZINC000219859009 136204460 /nfs/dbraw/zinc/20/44/60/136204460.db2.gz CZITTZUAINEUMR-UHFFFAOYSA-N 1 2 388.895 4.521 40 0 GJABLO CC[C@H](C)Nc1[nH+]cccc1[C@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072213464 570314087 /nfs/dbraw/zinc/31/40/87/570314087.db2.gz HFMCMJUZHMBYDZ-FXAWDEMLSA-N 1 2 387.549 4.516 40 0 GJABLO Cc1cccc([C@@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c2ccccc2)c1 ZINC000044856112 570636764 /nfs/dbraw/zinc/63/67/64/570636764.db2.gz AEHPOJRZJFZTRI-DEOSSOPVSA-N 1 2 381.479 4.759 40 0 GJABLO O=C(CC(c1ccccc1)c1ccccc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000044880001 570638042 /nfs/dbraw/zinc/63/80/42/570638042.db2.gz XUJQGIVLDGEBMZ-UHFFFAOYSA-N 1 2 381.479 4.711 40 0 GJABLO Cc1ccc(C)c(NC(=O)C[NH+]2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)c1 ZINC000005625956 570665353 /nfs/dbraw/zinc/66/53/53/570665353.db2.gz YVHCVBKPGGBRNU-UHFFFAOYSA-N 1 2 396.922 4.651 40 0 GJABLO COc1cc2c(cc1OC)[C@H](c1cccc(F)c1)[NH2+][C@H](c1ncccc1C)C2 ZINC000019237838 570967521 /nfs/dbraw/zinc/96/75/21/570967521.db2.gz FTWBQBXVOXTLDS-CVDCTZTESA-N 1 2 378.447 4.523 40 0 GJABLO CC(C)c1[nH+]c2ccccc2n1CCCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000019667002 571027619 /nfs/dbraw/zinc/02/76/19/571027619.db2.gz GCDHECCECDISJR-GOSISDBHSA-N 1 2 377.488 4.580 40 0 GJABLO CC[C@@H](C)Nc1nc(Nc2ccc(OC(F)(F)F)cc2C)cc(C2CC2)[nH+]1 ZINC000328959944 222805387 /nfs/dbraw/zinc/80/53/87/222805387.db2.gz AVRFZBJNTHHIMH-GFCCVEGCSA-N 1 2 380.414 4.937 40 0 GJABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](C)CO)n2)ccc1C(C)C ZINC000329028639 212093584 /nfs/dbraw/zinc/09/35/84/212093584.db2.gz PWJCVFWYZOUYMW-KRWDZBQOSA-N 1 2 376.504 4.534 40 0 GJABLO CC[C@@H](C)Nc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000328989767 212092572 /nfs/dbraw/zinc/09/25/72/212092572.db2.gz IMMDCLFTUNYUEF-SNVBAGLBSA-N 1 2 384.833 4.824 40 0 GJABLO COc1cc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)(C)C)n2)cc(OC)c1 ZINC000328983736 212092139 /nfs/dbraw/zinc/09/21/39/212092139.db2.gz HJMXAAGMGRQRBW-UHFFFAOYSA-N 1 2 378.476 4.537 40 0 GJABLO CNc1nc(Nc2ccc(F)cc2C)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328991179 206240039 /nfs/dbraw/zinc/24/00/39/206240039.db2.gz IRZHGWFJSAPBCP-UHFFFAOYSA-N 1 2 392.356 4.697 40 0 GJABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(Cl)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329021262 206240738 /nfs/dbraw/zinc/24/07/38/206240738.db2.gz OFLUCAXSISLUBA-IBGZPJMESA-N 1 2 382.895 4.969 40 0 GJABLO COc1ccc(Nc2cc(C3CC3)[nH+]c(NC(C)(C)C)n2)cc1C(F)(F)F ZINC000329014415 206241731 /nfs/dbraw/zinc/24/17/31/206241731.db2.gz MWIFITYRGLPUIE-UHFFFAOYSA-N 1 2 380.414 4.757 40 0 GJABLO Fc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)cc1Cl ZINC000329057841 206242228 /nfs/dbraw/zinc/24/22/28/206242228.db2.gz WAYAXXHYXDEIRC-UHFFFAOYSA-N 1 2 382.870 4.878 40 0 GJABLO Cc1ccc2[nH]c(CCc3ccc(NC(=O)CC[C@@H]4CCCO4)cc3)[nH+]c2c1 ZINC000019221549 207107511 /nfs/dbraw/zinc/10/75/11/207107511.db2.gz JOEYDZYBIDKDDL-IBGZPJMESA-N 1 2 377.488 4.554 40 0 GJABLO Cc1ccc2[nH+]c(CCc3ccc(NC(=O)CC[C@@H]4CCCO4)cc3)[nH]c2c1 ZINC000019221549 207107514 /nfs/dbraw/zinc/10/75/14/207107514.db2.gz JOEYDZYBIDKDDL-IBGZPJMESA-N 1 2 377.488 4.554 40 0 GJABLO COc1ccccc1C[N@@H+]1CCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 ZINC000019574893 207138284 /nfs/dbraw/zinc/13/82/84/207138284.db2.gz WLNPAAUNSGIRDR-RPVQJOFSSA-N 1 2 394.441 4.536 40 0 GJABLO COc1ccccc1C[N@H+]1CCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 ZINC000019574893 207138288 /nfs/dbraw/zinc/13/82/88/207138288.db2.gz WLNPAAUNSGIRDR-RPVQJOFSSA-N 1 2 394.441 4.536 40 0 GJABLO CC1CC[NH+](c2ccc(N)cc2NC(=O)c2ccc(Br)cc2)CC1 ZINC000226255063 136192656 /nfs/dbraw/zinc/19/26/56/136192656.db2.gz ZIQBMTITIQPZNA-UHFFFAOYSA-N 1 2 388.309 4.520 40 0 GJABLO O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc[nH+]c1N1CCCCC1 ZINC000072216133 570317061 /nfs/dbraw/zinc/31/70/61/570317061.db2.gz RKYYOEQFKSERGX-NRFANRHFSA-N 1 2 379.504 4.936 40 0 GJABLO CC(C)c1ccc(CCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000025767416 570439077 /nfs/dbraw/zinc/43/90/77/570439077.db2.gz JORNSXBMQCYQOY-RMKNXTFCSA-N 1 2 376.544 4.600 40 0 GJABLO COc1ccc(NC(=S)N2CCC[C@@H](c3[nH]c4cc(C)c(C)cc4[nH+]3)C2)cc1 ZINC000004858925 570639171 /nfs/dbraw/zinc/63/91/71/570639171.db2.gz NUIWIIHHTIKSFF-MRXNPFEDSA-N 1 2 394.544 4.765 40 0 GJABLO Cc1cc2[nH]c(-c3cc(Br)c(N)c(Br)c3)[nH+]c2cc1C ZINC000070461510 570967662 /nfs/dbraw/zinc/96/76/62/570967662.db2.gz GMYGDDOHQGJDAM-UHFFFAOYSA-N 1 2 395.098 4.954 40 0 GJABLO O=C(C1CCC1)N1CCC[C@@H](c2[nH+]c(Nc3cccc(F)c3)n3ccsc23)C1 ZINC000019294195 570973690 /nfs/dbraw/zinc/97/36/90/570973690.db2.gz ANGDWSMQINFHOB-OAHLLOKOSA-N 1 2 398.507 4.785 40 0 GJABLO c1ccc(C2=N[C@@H](N3CCCCC3)[C@H]([NH+]3CCCCC3)N2c2ccccc2)cc1 ZINC000019327824 570975121 /nfs/dbraw/zinc/97/51/21/570975121.db2.gz PBHACELTUMHJRL-LOSJGSFVSA-N 1 2 388.559 4.577 40 0 GJABLO Cc1nc(Nc2cccc(Cl)c2)cc(N2CCc3cc([C@H](C)O)ccc3C2)[nH+]1 ZINC000329033308 212093977 /nfs/dbraw/zinc/09/39/77/212093977.db2.gz QTMDJRDWVGMSTB-AWEZNQCLSA-N 1 2 394.906 4.798 40 0 GJABLO Cc1nc(N2CCc3cc([C@H](C)O)ccc3C2)cc(Nc2cccc(Cl)c2)[nH+]1 ZINC000329033308 212093979 /nfs/dbraw/zinc/09/39/79/212093979.db2.gz QTMDJRDWVGMSTB-AWEZNQCLSA-N 1 2 394.906 4.798 40 0 GJABLO CCOc1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](CO)C(C)C)n2)cc1 ZINC000328995295 212092847 /nfs/dbraw/zinc/09/28/47/212092847.db2.gz JICMPSFGESQQAM-NRFANRHFSA-N 1 2 392.503 4.715 40 0 GJABLO Clc1cccc(Cl)c1Nc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000328994446 206239874 /nfs/dbraw/zinc/23/98/74/206239874.db2.gz JDVPYPNCJOQGHP-UHFFFAOYSA-N 1 2 377.319 4.993 40 0 GJABLO CCNc1nc(Nc2c(C)cc(Br)cc2C)cc(-c2ccccc2)[nH+]1 ZINC000328990395 206239916 /nfs/dbraw/zinc/23/99/16/206239916.db2.gz IPHMLBBHXVVHHE-UHFFFAOYSA-N 1 2 397.320 4.542 40 0 GJABLO COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)cc1F ZINC000328995083 206239972 /nfs/dbraw/zinc/23/99/72/206239972.db2.gz JFVILALRQCJICA-UHFFFAOYSA-N 1 2 392.478 4.623 40 0 GJABLO Cc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)cc2n1 ZINC000019116874 207102439 /nfs/dbraw/zinc/10/24/39/207102439.db2.gz QEQUGOBKUSVOFT-INIZCTEOSA-N 1 2 378.373 4.533 40 0 GJABLO Cc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)cc2n1 ZINC000019116874 207102443 /nfs/dbraw/zinc/10/24/43/207102443.db2.gz QEQUGOBKUSVOFT-INIZCTEOSA-N 1 2 378.373 4.533 40 0 GJABLO Cc1csc2c([C@H]3CCN(C(=O)c4cc(C(C)C)no4)C3)[nH+]c(C3CCC3)n12 ZINC000019240510 207111930 /nfs/dbraw/zinc/11/19/30/207111930.db2.gz HHGBXJKKFRONHC-HNNXBMFYSA-N 1 2 398.532 4.713 40 0 GJABLO Cc1nn(C[C@H](C)c2cc(NCCCc3ccc(F)cc3)nc(C)[nH+]2)c(C)c1C ZINC000072373204 222242335 /nfs/dbraw/zinc/24/23/35/222242335.db2.gz OTKXVVFHMPLMFJ-HNNXBMFYSA-N 1 2 395.526 4.894 40 0 GJABLO c1csc(Nc2nccc([C@@H]3CCC[N@H+]3Cc3ccc4ncccc4c3)n2)n1 ZINC000072377993 222245427 /nfs/dbraw/zinc/24/54/27/222245427.db2.gz WSLSDQOKRVXBIT-IBGZPJMESA-N 1 2 388.500 4.562 40 0 GJABLO c1csc(Nc2nccc([C@@H]3CCC[N@@H+]3Cc3ccc4ncccc4c3)n2)n1 ZINC000072377993 222245431 /nfs/dbraw/zinc/24/54/31/222245431.db2.gz WSLSDQOKRVXBIT-IBGZPJMESA-N 1 2 388.500 4.562 40 0 GJABLO CCCCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cc[nH+]cc1 ZINC000096305732 570228212 /nfs/dbraw/zinc/22/82/12/570228212.db2.gz LMMVYUUAERRHNW-UHFFFAOYSA-N 1 2 376.522 4.749 40 0 GJABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1C(C)(C)C)c1ccc(Cl)cc1 ZINC000057613821 570365638 /nfs/dbraw/zinc/36/56/38/570365638.db2.gz LLZBBUSYDDCIHI-IBGZPJMESA-N 1 2 383.927 4.693 40 0 GJABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1C(C)(C)C)c1ccc(Cl)cc1 ZINC000057613821 570365639 /nfs/dbraw/zinc/36/56/39/570365639.db2.gz LLZBBUSYDDCIHI-IBGZPJMESA-N 1 2 383.927 4.693 40 0 GJABLO COc1cc(C)c([C@@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1C(C)C ZINC000223382652 570463214 /nfs/dbraw/zinc/46/32/14/570463214.db2.gz HEHKZDBEGHWUHF-GOSISDBHSA-N 1 2 391.515 4.863 40 0 GJABLO COc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)cc1C(C)C ZINC000224969905 570540370 /nfs/dbraw/zinc/54/03/70/570540370.db2.gz LLPMJCDZPBATHD-UHFFFAOYSA-N 1 2 388.533 4.610 40 0 GJABLO Cc1nc2n(n1)C(=O)C([C@@H](c1ccc(Cl)cc1)[NH+]1C[C@@H](C)C[C@H](C)C1)S2 ZINC000036046377 570551597 /nfs/dbraw/zinc/55/15/97/570551597.db2.gz ALQIHKKHRCNQNN-MQIPJXDCSA-N 1 2 390.940 4.526 40 0 GJABLO COc1cc(C)c(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1C(C)C ZINC000225664900 570600018 /nfs/dbraw/zinc/60/00/18/570600018.db2.gz COJAHTZOWDENRA-DHZHZOJOSA-N 1 2 392.543 4.598 40 0 GJABLO O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000044904744 570641179 /nfs/dbraw/zinc/64/11/79/570641179.db2.gz XGJUQFXTBPRRPC-UHFFFAOYSA-N 1 2 388.467 4.563 40 0 GJABLO CCOc1ccc(-c2nc(Nc3ccc(Br)cc3)cc(N)[nH+]2)cc1 ZINC000049468055 570663253 /nfs/dbraw/zinc/66/32/53/570663253.db2.gz VHUSVLCEEIZTTJ-UHFFFAOYSA-N 1 2 385.265 4.631 40 0 GJABLO CCOc1ccc(-c2nc(N)cc(Nc3ccc(Br)cc3)[nH+]2)cc1 ZINC000049468055 570663256 /nfs/dbraw/zinc/66/32/56/570663256.db2.gz VHUSVLCEEIZTTJ-UHFFFAOYSA-N 1 2 385.265 4.631 40 0 GJABLO COc1ccc(C[N@H+](Cc2ccncc2)Cc2ccccc2Cl)c(OC)c1 ZINC000013989837 570868270 /nfs/dbraw/zinc/86/82/70/570868270.db2.gz PTJAXAQLKSAGSB-UHFFFAOYSA-N 1 2 382.891 4.955 40 0 GJABLO COc1ccc(C[N@@H+](Cc2ccncc2)Cc2ccccc2Cl)c(OC)c1 ZINC000013989837 570868271 /nfs/dbraw/zinc/86/82/71/570868271.db2.gz PTJAXAQLKSAGSB-UHFFFAOYSA-N 1 2 382.891 4.955 40 0 GJABLO c1ccc(C2=N[C@H](N3CCCCC3)[C@@H]([NH+]3CCCCC3)N2c2ccccc2)cc1 ZINC000019319107 570974699 /nfs/dbraw/zinc/97/46/99/570974699.db2.gz PBHACELTUMHJRL-RPBOFIJWSA-N 1 2 388.559 4.577 40 0 GJABLO c1ccc(C2=N[C@H](N3CCCCC3)[C@H]([NH+]3CCCCC3)N2c2ccccc2)cc1 ZINC000019328770 570974954 /nfs/dbraw/zinc/97/49/54/570974954.db2.gz PBHACELTUMHJRL-JWQCQUIFSA-N 1 2 388.559 4.577 40 0 GJABLO CC[C@H](C)Nc1nc(Nc2cccc(SC(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000329014407 212094050 /nfs/dbraw/zinc/09/40/50/212094050.db2.gz MWCDMSBOVSKERV-NSHDSACASA-N 1 2 382.455 4.764 40 0 GJABLO Cc1cc(Br)ccc1Nc1cc(-c2ccccc2)[nH+]c(NC2CC2)n1 ZINC000329060849 212095389 /nfs/dbraw/zinc/09/53/89/212095389.db2.gz WOYOWUIRLNDVEE-UHFFFAOYSA-N 1 2 395.304 4.954 40 0 GJABLO CCc1cccc(C)c1Nc1cc(-c2ccccc2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000329007659 212091481 /nfs/dbraw/zinc/09/14/81/212091481.db2.gz LMGLGPZYTQUPHU-OAQYLSRUSA-N 1 2 390.531 4.609 40 0 GJABLO CC[C@@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(C2CC2)[nH+]1 ZINC000328976833 212090115 /nfs/dbraw/zinc/09/01/15/212090115.db2.gz FQJFLWLWMGBEEL-SNVBAGLBSA-N 1 2 384.833 4.824 40 0 GJABLO COc1ccccc1CN1CCC[C@@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306143766 209107741 /nfs/dbraw/zinc/10/77/41/209107741.db2.gz YLPVDBCYBDUFHH-OAQYLSRUSA-N 1 2 384.483 4.742 40 0 GJABLO Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2ccccc2)[nH+]c(NC(C)C)n1 ZINC000328981804 206239829 /nfs/dbraw/zinc/23/98/29/206239829.db2.gz GWPVZFOTGJGAKP-UHFFFAOYSA-N 1 2 386.421 4.879 40 0 GJABLO CC[C@@H](C)Nc1nc(Nc2cccc(SC(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000329014406 206241739 /nfs/dbraw/zinc/24/17/39/206241739.db2.gz MWCDMSBOVSKERV-LLVKDONJSA-N 1 2 382.455 4.764 40 0 GJABLO Cc1c(Br)cccc1Nc1cc(-c2ccccc2)[nH+]c(NC(C)C)n1 ZINC000329023944 206241799 /nfs/dbraw/zinc/24/17/99/206241799.db2.gz OWSFMMQSCRKGEH-UHFFFAOYSA-N 1 2 397.320 4.622 40 0 GJABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NC(C)(C)C)n2)c(Br)c1 ZINC000329044857 206242901 /nfs/dbraw/zinc/24/29/01/206242901.db2.gz SYIMZHXGVOHDSD-UHFFFAOYSA-N 1 2 375.314 4.801 40 0 GJABLO Cc1csc2c([C@@H]3CCN(C(=O)c4cc(C(C)C)no4)C3)[nH+]c(C3CCC3)n12 ZINC000019240509 207111354 /nfs/dbraw/zinc/11/13/54/207111354.db2.gz HHGBXJKKFRONHC-OAHLLOKOSA-N 1 2 398.532 4.713 40 0 GJABLO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)ncc1C(=O)Nc1ccccc1 ZINC000019755837 207159888 /nfs/dbraw/zinc/15/98/88/207159888.db2.gz HGLALIAOWAHXQY-QFIPXVFZSA-N 1 2 386.499 4.765 40 0 GJABLO Cc1nc([C@@H]2CCCC[N@H+]2Cc2ccccc2)ncc1C(=O)Nc1ccccc1 ZINC000019755837 207159892 /nfs/dbraw/zinc/15/98/92/207159892.db2.gz HGLALIAOWAHXQY-QFIPXVFZSA-N 1 2 386.499 4.765 40 0 GJABLO CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020455578 207195266 /nfs/dbraw/zinc/19/52/66/207195266.db2.gz AEHURZKGHRMWIX-LJQANCHMSA-N 1 2 385.920 4.713 40 0 GJABLO COc1cccc(C2(NC(=O)CCn3cc[nH+]c3-c3ccccc3)CCCC2)c1 ZINC000012115986 221152239 /nfs/dbraw/zinc/15/22/39/221152239.db2.gz HPPRNCOYOCXUNM-UHFFFAOYSA-N 1 2 389.499 4.535 40 0 GJABLO CCOc1cc(C[N@H+](Cc2cccnc2)Cc2ccccc2F)ccc1OC ZINC000013569009 221274831 /nfs/dbraw/zinc/27/48/31/221274831.db2.gz LOBPMDCEWWAIJL-UHFFFAOYSA-N 1 2 380.463 4.830 40 0 GJABLO CCOc1cc(C[N@@H+](Cc2cccnc2)Cc2ccccc2F)ccc1OC ZINC000013569009 221274833 /nfs/dbraw/zinc/27/48/33/221274833.db2.gz LOBPMDCEWWAIJL-UHFFFAOYSA-N 1 2 380.463 4.830 40 0 GJABLO C[C@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1ccc(Br)cc1 ZINC000226254885 136192536 /nfs/dbraw/zinc/19/25/36/136192536.db2.gz PEXAKAAMMANWFA-ZDUSSCGKSA-N 1 2 388.309 4.662 40 0 GJABLO C[C@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1ccc(Br)cc1 ZINC000226254885 136192537 /nfs/dbraw/zinc/19/25/37/136192537.db2.gz PEXAKAAMMANWFA-ZDUSSCGKSA-N 1 2 388.309 4.662 40 0 GJABLO CCCOc1ccccc1CCCNC(=O)C1CC[NH+](c2ccc(C)cc2)CC1 ZINC000219864274 136204314 /nfs/dbraw/zinc/20/43/14/136204314.db2.gz RNLRYNRVVHMPBJ-UHFFFAOYSA-N 1 2 394.559 4.749 40 0 GJABLO Cc1ccc([NH+]2CCC(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)CC2)cc1 ZINC000219862890 136204447 /nfs/dbraw/zinc/20/44/47/136204447.db2.gz MPPZQEISMBKXRU-NRFANRHFSA-N 1 2 378.516 4.630 40 0 GJABLO Fc1ccc(-c2nc(NCc3ccc(Cl)cc3)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000057761936 222036169 /nfs/dbraw/zinc/03/61/69/222036169.db2.gz FJRFNYTVXGDDPS-UHFFFAOYSA-N 1 2 379.826 4.938 40 0 GJABLO Cc1cccc2[nH+]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)C4CC4)C=C3C)[nH]c21 ZINC000072320965 222225879 /nfs/dbraw/zinc/22/58/79/222225879.db2.gz GTGQDMHPXDOIIM-UFYCRDLUSA-N 1 2 379.548 4.795 40 0 biogenic,in-vitro GJABLO Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)C4CC4)C=C3C)[nH+]c21 ZINC000072320965 222225882 /nfs/dbraw/zinc/22/58/82/222225882.db2.gz GTGQDMHPXDOIIM-UFYCRDLUSA-N 1 2 379.548 4.795 40 0 biogenic,in-vitro GJABLO CCCC(=O)Nc1cc2nn(-c3ccc([NH+](CC)CC)cc3C)nc2cc1C ZINC000020611066 570280587 /nfs/dbraw/zinc/28/05/87/570280587.db2.gz XLOAAGGXMXKMOQ-UHFFFAOYSA-N 1 2 379.508 4.622 40 0 GJABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)CC(C)C)cc3n2)c(C)c1 ZINC000020611069 570280617 /nfs/dbraw/zinc/28/06/17/570280617.db2.gz XFKLCQXHFUMPHS-UHFFFAOYSA-N 1 2 393.535 4.868 40 0 GJABLO CC[C@H](C)Nc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072213576 570314166 /nfs/dbraw/zinc/31/41/66/570314166.db2.gz NQDYRELIMKYKSL-FXAWDEMLSA-N 1 2 387.549 4.516 40 0 GJABLO CCCCNc1[nH+]cccc1[C@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072213637 570314180 /nfs/dbraw/zinc/31/41/80/570314180.db2.gz SOBVUUVEHCNQTJ-HXUWFJFHSA-N 1 2 387.549 4.518 40 0 GJABLO O=C(OCc1ccccc1)N1CCC[C@@H]1c1ccc[nH+]c1N1CCCCCC1 ZINC000072216697 570317855 /nfs/dbraw/zinc/31/78/55/570317855.db2.gz XLYFKQCHIZZSGE-OAQYLSRUSA-N 1 2 379.504 4.936 40 0 GJABLO S=C(Nc1ccc(Oc2ccccc2)cc1)N1CC[NH+](Cc2ccco2)CC1 ZINC000225214955 570557150 /nfs/dbraw/zinc/55/71/50/570557150.db2.gz HJHZWTKZRXCGLG-UHFFFAOYSA-N 1 2 393.512 4.587 40 0 GJABLO S=C(NCCCn1cc[nH+]c1)Nc1ccc(CSc2ccccc2)cc1 ZINC000225520828 570583062 /nfs/dbraw/zinc/58/30/62/570583062.db2.gz BEKLLKDQRQJRNQ-UHFFFAOYSA-N 1 2 382.558 4.552 40 0 GJABLO O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038860710 570589022 /nfs/dbraw/zinc/58/90/22/570589022.db2.gz RRNIDIQQIWGMFG-UHFFFAOYSA-N 1 2 390.668 4.600 40 0 GJABLO COc1ccccc1C1(NC(=O)CCn2cc[nH+]c2-c2ccccc2)CCCC1 ZINC000012115982 570610914 /nfs/dbraw/zinc/61/09/14/570610914.db2.gz CJSQDZHVVUIXFR-UHFFFAOYSA-N 1 2 389.499 4.535 40 0 GJABLO Oc1ccccc1-c1[nH+]c2ccc(Cl)cn2c1NCc1ccc2c(c1)OCO2 ZINC000004848483 570634926 /nfs/dbraw/zinc/63/49/26/570634926.db2.gz VKBXEFSLRLQPDI-UHFFFAOYSA-N 1 2 393.830 4.701 40 0 GJABLO CCC(C)(C)n1nnnc1[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(C)CC1 ZINC000004968278 570654683 /nfs/dbraw/zinc/65/46/83/570654683.db2.gz ZKPSGLKOQQXDIO-KRWDZBQOSA-N 1 2 395.473 4.658 40 0 GJABLO